#DEFINITION	Reference Metabolome for Camellia sinensis
#IDENTTFIER	RefMeta-Camellia sinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Camellia sinensis
#CREATION	07-JUN-2023
#PUBLICATION	RefMetaPlant: a reference metabolome database for plants across five major phyla
#JOURNAL	Nucleic Acids Research
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Camellia sinensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28306	0.4
71.01351	0.9
71.04995	2.7
73.02918	9.7
75.04477	0.5
79.05490	0.1
81.03417	0.3
83.04982	1.6
85.02905	8.2
87.04467	0.7
91.05481	4.5
95.04956	0.3
97.02894	5.5
98.20876	0.2
99.04456	0.3
101.02399	0.1
101.19653	0.1
103.03947	2.7
105.07019	0.1
107.04945	0.3
109.02876	0.4
111.00760	0.2
111.04444	1.4
113.02377	0.3
113.05279	0.1
113.06001	0.4
115.03931	4.7
119.04943	12.3
121.02875	0.8
123.04440	0.2
127.02998	0.1
127.03917	2.3
129.05486	2.4
131.03404	0.1
133.02829	0.1
133.04984	1.3
133.06461	0.1
137.05963	0.2
139.03925	0.5
140.58238	0.1
145.04950	0.1
145.06476	0.2
147.04411	100.0
148.04768	0.6
149.04456	4.0
149.05746	0.2
151.03928	0.2
153.01796	0.9
157.05031	0.1
157.06538	0.2
163.03954	0.1
165.01846	0.4
165.05467	4.0
167.07018	0.2
169.04987	0.9
169.06458	0.2
171.06511	0.2
173.06030	0.2
175.06058	0.6
177.05574	0.1
179.07069	0.1
183.02898	0.3
183.06587	0.1
185.06013	0.2
187.06007	0.1
187.07565	0.2
189.05508	0.1
201.05463	0.4
201.07399	0.1
211.05960	0.1
213.05486	0.4
215.07085	0.1
225.07581	1.3
231.06480	0.4
241.04955	0.2
243.06488	0.2
243.08632	1.0
258.05475	0.2
259.06125	0.2
261.07562	1.2
261.09839	0.3
273.07388	0.2
275.08972	0.5
279.03867	0.1
279.08459	2.5
279.10852	0.4
287.05499	36.5
288.05865	0.4
291.08615	4.7
293.10257	0.9
299.81100	0.2
309.09677	25.7
310.10031	0.2
329.06696	0.1
441.13882	0.9
455.15387	0.5
595.13800	0.2
595.86041	0.1
782.98022	0.1
944.60620	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	1005.288
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97323	0.1
71.01358	0.8
71.04996	3.1
71.54380	0.2
73.02919	8.1
75.04472	0.3
79.05471	0.2
81.03410	0.4
81.07042	0.2
83.04987	1.3
85.02908	7.1
85.99444	0.1
87.04462	0.6
91.05484	5.5
91.08577	0.1
93.07068	0.1
95.04969	0.4
97.02894	5.4
97.03524	0.3
97.06512	0.1
99.04444	0.2
103.03941	2.4
105.03386	0.2
105.07026	0.3
107.04955	0.6
107.08588	0.2
109.02874	0.5
111.00774	0.3
111.04438	1.2
113.02364	0.2
113.06004	0.4
115.03934	4.2
115.05282	0.2
119.04948	13.5
119.08624	0.2
121.02889	1.0
121.03669	0.2
123.04369	0.2
127.03924	2.1
129.05487	2.0
129.06972	0.1
131.03366	0.2
131.04958	0.2
133.02849	0.2
133.04971	1.1
133.10185	0.3
135.04384	0.2
137.02336	0.4
137.05983	0.5
139.03886	0.4
145.04915	0.2
145.06461	0.2
147.04414	100.0
148.04776	0.6
149.04446	3.9
151.03883	0.2
153.01834	1.2
157.05089	0.2
157.06497	0.3
161.05997	0.2
161.09625	0.1
163.04019	0.2
165.01807	0.8
165.05475	3.8
167.07018	0.2
169.04970	1.0
169.06386	0.2
171.06615	0.2
173.06026	0.2
175.06020	0.4
177.05544	0.2
179.06966	0.2
181.04945	0.3
183.02901	0.3
185.05908	0.2
187.06023	0.1
187.07549	0.2
189.05478	0.3
201.05473	0.7
201.07474	0.1
203.07039	0.2
211.06012	0.3
213.05486	0.7
225.07573	1.3
229.07082	0.2
231.06557	0.3
241.04980	0.3
243.08604	0.8
258.05252	0.4
259.06046	0.2
261.07568	1.8
261.09955	0.3
275.09131	0.5
279.08380	2.3
279.10901	0.6
287.05502	52.5
288.05984	0.7
291.08621	3.4
291.11655	0.3
293.10187	1.3
309.09698	14.2
354.04114	0.1
361.15845	0.2
419.13397	0.2
425.14218	0.2
441.13962	0.4
442.63010	0.2
448.41071	0.1
455.15216	0.3
459.14438	0.1
509.43933	0.1
595.14038	0.2
647.67578	0.1
806.82074	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	1005.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	1.0
71.04993	4.3
73.02917	12.0
74.26801	0.2
75.04469	0.5
79.05492	0.3
81.03411	0.4
81.07037	0.1
83.04980	2.3
85.02905	11.6
87.04465	1.0
91.05482	4.9
95.04971	0.4
97.02895	7.2
99.04456	0.8
103.03939	3.3
103.05418	0.2
105.07068	0.2
107.04963	0.8
109.02876	0.6
111.00790	0.2
111.04455	1.9
113.02330	0.5
113.06008	0.5
115.03934	6.0
117.06970	0.2
119.04945	13.8
121.02872	1.8
123.04457	0.4
127.03947	0.9
129.05487	4.0
131.04948	0.4
133.04970	1.5
133.06473	0.2
135.04442	0.2
137.02351	0.2
137.05986	0.4
139.03923	0.8
141.06984	0.2
144.05670	0.2
145.04984	0.2
145.06487	0.5
147.04410	100.0
148.04765	0.6
149.04460	4.2
149.05759	0.3
151.03888	0.3
153.01852	0.9
153.05470	0.3
157.05022	0.3
157.06488	0.6
159.04388	0.2
159.08069	0.4
161.06015	0.3
161.09557	0.2
165.01849	0.4
165.05466	1.8
167.07060	0.3
169.04958	1.4
169.06465	0.5
171.04391	0.2
171.06557	0.2
173.06020	0.5
175.03909	0.3
175.06056	0.4
175.07503	0.2
177.05475	0.4
183.02965	0.2
183.06572	0.2
183.08032	0.3
185.06020	0.7
187.06035	0.3
187.07530	1.1
189.05426	0.2
199.05971	0.2
199.07645	0.3
201.05530	1.0
201.09109	0.2
203.07066	0.9
207.06448	0.3
211.06049	0.5
213.05438	0.9
215.07054	0.6
225.05511	0.3
225.07547	1.9
227.07039	0.3
229.08629	0.7
231.06519	3.8
231.08844	0.2
243.06454	0.3
243.08701	1.3
255.06548	0.2
261.07596	0.7
261.09830	0.4
273.07553	2.4
279.08502	0.5
279.11096	1.3
287.05499	31.5
291.08621	13.9
293.10156	0.3
299.05753	0.2
309.09683	40.5
310.09955	0.4
405.11710	0.4
419.13550	0.4
441.14130	1.0
455.15570	0.7
585.80029	0.2
595.14563	0.3
944.62549	0.2
1005.31635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19711	0.8
55.01855	1.1
55.05504	2.5
56.96571	28.6
57.03436	1.7
58.50541	2.9
58.96177	1.4
59.96190	1.1
59.99947	1.9
60.95851	1.9
64.00305	0.7
67.20744	0.8
67.51079	5.0
68.00292	1.1
70.01353	4.1
70.99871	0.7
71.52554	1.5
73.02921	1.6
76.51604	1.0
76.61196	0.8
77.00829	0.8
79.01869	7.5
82.01450	1.4
82.99850	6.5
83.01508	10.0
83.05000	2.0
84.01610	1.0
84.04537	0.8
87.03812	0.7
88.02392	1.9
89.00278	1.4
89.03462	2.3
90.36293	0.8
98.97598	4.0
100.02480	2.0
100.97207	1.8
100.97964	0.9
101.00891	49.5
101.02554	18.8
101.06082	1.4
101.10773	0.9
102.02244	2.4
108.49821	0.8
110.82433	0.8
119.01934	100.0
119.03600	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	101.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
56.96572	24.7
57.03439	2.0
58.50541	1.5
58.96188	1.8
59.04991	1.3
59.96183	1.8
59.99954	1.7
60.95863	2.1
64.58544	1.1
67.51062	3.7
68.00279	1.4
70.01344	1.8
70.99876	1.1
71.04976	1.1
71.52805	1.5
73.02895	1.3
74.36388	0.9
78.52979	1.4
79.01871	8.1
82.01468	2.3
82.99843	6.6
83.00756	1.0
83.01504	12.4
83.04999	2.3
84.01214	1.6
88.02366	1.3
88.12648	0.9
89.00266	1.2
89.00784	0.9
89.03474	2.7
98.25474	1.0
98.97597	2.8
100.02503	3.1
100.97234	1.8
100.97951	1.2
101.00897	54.7
101.02566	21.5
101.06032	1.9
101.10804	1.8
102.02261	1.6
119.01938	100.0
119.03606	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	1014.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01354	0.2
71.04989	0.3
71.53381	0.3
72.82412	0.2
77.03929	0.2
79.05494	4.5
81.03414	0.4
81.07060	6.1
83.04987	1.8
83.08614	0.8
85.02912	0.4
85.06517	0.2
91.05485	3.6
93.03413	1.4
93.07050	4.4
95.04970	0.8
95.08608	4.7
97.02892	0.8
97.06519	0.4
97.10139	0.4
103.05502	0.3
105.07037	1.8
107.04980	0.6
107.08621	2.3
109.02876	0.3
109.06528	0.3
109.10161	1.8
111.00780	0.2
111.04446	5.7
111.08055	0.4
115.05473	0.5
117.07040	0.7
119.08579	1.2
121.02853	0.9
121.06548	0.3
121.10153	1.9
123.04436	3.1
123.08057	0.3
123.11724	0.3
127.03899	1.0
129.07004	0.6
131.04910	0.6
131.08595	1.4
133.06511	0.3
133.10132	1.2
135.04427	1.1
135.11702	1.1
137.06006	0.6
139.03906	100.0
140.04211	0.6
141.05467	0.7
141.06996	0.7
143.04951	0.3
143.08508	0.2
145.06485	0.6
145.10117	0.7
147.04417	0.8
147.11684	0.8
149.06009	1.8
149.13297	0.6
151.03903	4.3
153.05489	1.0
153.06998	0.6
155.08582	0.3
157.06488	0.7
159.11678	0.6
161.05975	3.1
161.13301	0.5
163.03909	24.8
163.07594	0.6
165.05475	1.2
165.07025	0.7
167.08563	0.6
169.04971	0.2
169.06540	0.5
173.05995	6.8
173.13268	0.3
175.03874	0.4
175.07576	1.0
177.05487	2.4
179.03404	1.3
179.07106	0.3
179.08618	0.3
181.04974	3.5
181.06509	0.9
183.08133	0.5
185.06029	0.8
187.03891	1.0
187.07558	4.0
187.09206	0.4
188.08025	0.2
189.05479	1.6
191.07065	0.5
193.04948	0.4
193.06552	0.3
194.07324	0.2
195.06500	0.3
195.08093	0.8
197.06010	1.0
198.06783	0.2
199.07542	3.9
200.04616	0.2
201.05437	1.5
201.09163	1.3
203.07135	0.5
205.04974	6.4
206.11069	0.2
207.08093	0.3
209.06044	0.4
209.09663	0.4
211.07549	2.5
213.05495	1.4
213.09096	2.3
215.06949	1.1
217.04979	0.9
217.08659	0.3
223.07602	1.1
225.09108	1.2
227.07013	0.9
229.04951	1.3
229.08589	0.3
235.05899	1.3
235.11137	0.2
236.08548	0.2
237.09117	0.8
239.07033	0.4
239.10782	0.2
241.08644	0.3
243.21059	0.3
247.06053	1.0
249.09264	0.2
251.07085	0.2
251.10492	0.3
253.08548	0.3
255.06528	0.3
259.20602	1.0
261.22162	1.5
263.12909	0.2
265.06937	1.0
267.13736	0.5
274.44122	0.2
279.13815	0.4
281.15378	0.4
283.08316	3.6
285.07574	0.4
285.14893	0.5
287.16394	0.6
289.08725	0.2
289.37860	0.2
291.13791	0.4
293.15363	0.4
295.06076	1.3
297.07471	0.4
297.14899	1.0
299.16479	0.6
301.09192	9.0
303.06509	0.3
307.13306	0.2
308.06778	0.6
309.07556	0.8
309.14905	0.5
311.09262	0.4
313.07022	1.2
313.14401	0.3
315.15915	4.2
317.08304	0.3
317.24487	0.3
321.07581	0.6
321.14774	0.3
322.08344	0.3
323.09302	0.3
325.14420	0.9
327.15921	3.1
333.24289	0.6
335.09302	0.6
335.25824	14.0
336.26508	0.2
339.15887	1.9
359.18573	1.1
363.16013	0.3
371.18658	0.3
381.16531	0.2
387.17972	0.2
389.19623	2.4
391.21805	0.4
399.18234	0.2
399.25119	0.2
401.20016	1.3
413.19647	0.6
419.19879	0.3
421.16415	2.1
429.17130	0.5
435.17932	0.3
447.18066	4.5
465.19089	3.4
495.20178	0.3
503.20847	0.5
521.21771	1.4
539.22711	2.4
544.89355	0.2
557.23627	0.5
557.35944	0.5
613.38354	0.3
619.39984	0.5
631.39764	0.4
647.39166	0.6
649.40997	4.0
655.40002	0.4
661.41040	2.2
667.41846	0.4
673.40814	1.5
677.40881	1.1
679.41693	1.6
691.42273	1.2
755.41852	0.3
773.42554	1.9
781.43689	1.0
799.44159	5.0
817.45044	4.2
823.43762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	3.7
73.02910	4.7
79.05062	2.9
79.05493	43.8
81.03426	10.3
81.07058	66.6
83.04979	5.7
83.08624	16.1
85.02909	23.3
85.06573	4.0
87.04469	3.9
91.03963	9.8
91.05478	30.6
93.07050	44.7
95.04975	8.1
95.08605	45.8
97.02890	10.1
97.06530	5.0
97.10185	15.8
99.04420	2.2
103.03971	2.1
105.07028	17.3
107.04961	3.8
107.08601	26.0
109.06497	2.8
109.10162	64.8
109.10927	3.1
111.04459	2.1
111.08102	4.0
117.07014	10.5
119.08590	14.4
121.06502	1.5
121.10139	22.9
123.08080	3.0
123.11728	7.3
125.09644	15.6
127.03888	3.6
129.06958	3.3
131.08588	12.1
133.10139	10.8
135.08075	2.3
135.11691	15.6
137.09644	3.8
137.13277	2.4
139.03944	1.6
139.11205	2.2
143.10666	2.7
145.04993	4.1
145.10107	12.3
147.07962	1.7
147.11681	9.3
149.09682	3.6
149.13245	7.1
153.12773	3.0
155.10675	6.2
157.10014	1.6
159.11668	8.2
161.13255	5.2
163.06038	4.9
163.11203	8.7
163.14841	3.9
171.11711	1.7
173.11755	20.2
173.13298	6.2
175.11197	1.6
177.16373	3.0
181.10266	1.3
183.11691	2.2
185.13277	2.1
187.14873	2.8
189.11203	3.2
191.10698	3.1
193.12308	3.0
197.13303	1.6
199.13243	7.0
203.36043	1.5
209.11778	5.1
211.13321	1.9
217.14319	2.2
227.12712	10.0
229.14340	60.8
243.21188	5.5
259.20755	2.7
261.22153	19.8
267.16016	6.6
283.15402	3.2
297.22064	1.6
301.16446	20.1
315.23239	2.8
317.24786	4.3
327.23181	4.0
335.25812	100.0
363.25330	3.1
399.23849	22.9
455.80612	1.7
477.35913	8.2
489.35727	25.7
543.36462	6.7
561.37872	11.1
579.38544	3.9
645.55048	1.6
659.45270	35.7
1018.57660	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05009	5.2
71.54065	1.0
71.54483	1.3
73.02903	3.8
77.03893	1.0
79.05495	45.0
81.03426	9.2
81.07057	57.9
83.04977	4.9
83.08625	13.6
85.02905	18.1
85.06543	3.1
87.04465	4.6
91.03964	6.0
91.05480	29.6
93.06477	2.1
93.07047	42.8
95.04982	5.6
95.08610	41.8
95.09235	1.5
97.02892	10.3
97.06523	5.0
97.10164	14.3
99.08085	2.1
103.03934	1.9
105.07034	16.2
107.04948	2.7
107.07865	1.9
107.08594	28.3
109.06510	2.3
109.10160	55.3
111.04474	1.5
111.08089	4.9
117.07007	6.8
119.08573	18.5
121.06536	1.1
121.10146	21.1
123.08056	2.3
123.11713	5.4
125.09633	12.6
127.03904	4.7
129.05472	1.8
129.06972	1.9
131.08574	10.5
133.10129	11.2
135.08040	2.5
135.11702	14.6
137.09612	2.9
137.13263	1.7
139.11194	1.6
143.08566	2.3
143.10623	2.0
145.04956	4.1
145.10130	11.8
147.11684	8.7
149.09613	1.2
149.13266	5.1
153.12778	1.6
155.10658	3.7
157.10161	1.5
159.11696	6.2
161.13287	3.3
163.06021	3.4
163.11217	7.0
163.14778	4.7
171.11674	2.3
173.09775	1.2
173.10103	1.5
173.11732	16.1
173.13245	5.0
175.14824	1.6
177.12744	1.8
177.16444	1.2
180.08557	1.1
181.12286	2.1
185.01784	1.2
185.13330	1.4
187.14828	3.4
189.11218	1.8
191.10710	2.4
193.12241	3.7
193.35883	1.3
196.69720	1.1
199.13306	6.2
209.11725	6.7
211.13316	2.3
217.14259	1.8
227.12782	8.3
229.14342	56.5
241.19556	1.3
243.21130	5.3
245.13910	1.6
257.13696	3.1
259.20609	2.9
261.22147	19.9
267.15747	5.4
269.17780	1.2
269.78476	1.1
277.21332	1.2
283.15366	2.9
285.22375	1.5
290.51523	1.2
301.13391	1.5
301.16507	18.5
302.16608	1.2
309.22058	1.4
315.23172	3.0
317.24710	2.8
331.86539	1.3
333.24133	1.6
335.25809	100.0
363.25146	1.2
399.23828	14.8
451.32434	1.3
459.34741	1.5
469.32739	1.4
477.35486	8.1
489.35776	24.7
527.36731	1.4
543.36792	5.4
561.37866	14.6
579.38776	6.9
659.45197	44.9
858.88879	1.3
885.90106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	0.9
71.04996	2.9
73.02922	10.1
75.04479	0.4
79.05498	0.1
81.03429	0.2
82.13047	0.1
82.63508	0.1
83.04983	1.2
85.02908	8.0
85.77834	0.1
87.04478	0.7
88.44444	0.1
91.05485	4.6
93.03423	0.1
93.65215	0.1
94.27052	0.1
95.04982	0.3
97.02896	5.0
99.04456	0.3
103.03947	2.8
105.07037	0.1
107.04960	0.3
109.02872	0.4
111.00800	0.2
111.04447	1.2
113.02386	0.4
113.06001	0.3
114.33144	0.1
115.03934	4.6
119.04948	11.7
121.02850	0.2
121.06503	0.1
123.04442	0.2
127.03922	2.2
129.05484	2.3
131.03403	0.2
131.07124	0.1
133.04990	1.3
135.04424	0.1
137.02348	0.6
137.05965	0.2
139.03917	0.4
143.03415	0.1
145.04948	0.2
145.06453	0.1
147.04416	100.0
148.04739	0.8
149.04463	4.0
151.03966	0.1
153.01837	0.8
157.05013	0.2
157.06474	0.2
163.03940	0.2
165.01839	0.4
165.05487	3.8
169.04973	1.1
171.06548	0.1
173.04472	0.1
173.05972	0.2
175.03781	0.1
175.06065	0.7
177.05510	0.2
179.06926	0.1
183.02887	0.2
183.06534	0.1
185.05981	0.2
187.04083	0.1
187.05975	0.1
187.07509	0.1
189.05542	0.1
195.06610	0.1
201.05501	0.9
201.07399	0.1
207.06509	0.1
211.05989	0.2
213.05562	0.2
219.06657	0.1
225.07576	1.1
229.04994	1.0
229.07040	0.2
231.06567	0.3
243.08659	1.0
247.06015	0.2
257.04388	0.6
261.07428	1.3
261.09796	0.3
273.07516	0.1
274.04819	0.2
275.09113	0.4
279.08395	2.4
279.10883	0.6
285.03979	0.3
291.08643	4.6
293.10138	0.9
303.05005	32.9
304.05368	0.5
309.09692	25.3
310.10040	0.2
345.06219	0.1
405.11951	0.2
419.13190	0.2
425.14667	0.2
435.09149	0.2
441.14099	0.8
449.10715	0.2
455.15182	0.6
479.69183	0.1
587.19476	0.1
611.13763	0.2
645.02557	0.1
752.25018	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	1021.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.8
71.04646	0.2
71.05005	2.4
73.02927	7.6
75.04473	0.4
78.12244	0.1
81.03417	0.4
83.04988	1.3
85.02914	7.6
87.04490	0.5
91.05492	5.4
95.04977	0.4
97.02905	5.2
98.20736	0.4
99.04474	0.2
101.02309	0.1
103.03947	2.4
107.04984	0.3
109.02891	0.3
111.00809	0.3
111.04441	1.2
113.02360	0.3
113.06032	0.3
115.03943	4.7
119.04959	13.3
120.05287	0.1
121.02892	0.3
123.04441	0.3
127.03934	1.9
129.05495	2.1
133.04980	1.1
133.06487	0.2
135.04434	0.2
137.02357	0.9
137.05971	0.2
139.03906	0.3
145.06511	0.2
147.04427	100.0
148.04716	0.8
149.02435	0.2
149.04482	3.6
151.03918	0.2
153.01819	0.8
157.05052	0.1
157.06467	0.2
159.04614	0.1
159.06503	0.2
159.07935	0.1
161.06018	0.2
163.03958	0.3
165.01854	0.6
165.05493	4.3
166.02611	0.1
167.07051	0.2
169.04964	0.6
171.06630	0.2
173.06001	0.1
175.06116	0.6
177.05585	0.1
180.21561	0.1
181.05058	0.1
183.02945	0.3
183.06464	0.1
187.06049	0.2
187.07571	0.2
189.05432	0.2
194.84828	0.1
197.06183	0.1
199.05946	0.1
201.05504	1.0
203.07014	0.2
208.91936	0.1
211.06114	0.3
219.97688	0.1
225.07590	1.3
229.05029	1.4
229.07054	0.2
231.06566	0.2
243.06514	0.2
243.08687	0.8
247.06047	0.2
257.04462	0.8
261.07523	1.6
261.09872	0.3
274.04825	0.3
275.09076	0.5
279.08356	2.3
279.10916	0.7
285.03979	0.4
291.08673	3.2
293.10162	1.1
303.05026	45.9
304.05420	0.6
309.09726	15.6
358.80093	0.1
362.90799	0.1
389.11871	0.1
398.57986	0.1
405.11554	0.1
419.13159	0.1
435.09482	0.2
441.13846	0.4
449.10425	0.3
455.15375	0.4
590.97345	0.1
611.13922	0.2
873.80499	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	1035.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	4.1
75.48869	0.2
79.05486	0.5
81.03416	1.4
81.07070	0.2
83.04988	1.6
85.02909	17.4
87.04463	0.6
91.03957	0.6
91.05484	5.8
95.04964	0.4
97.02895	5.6
99.04461	1.0
103.03951	0.5
105.07037	0.5
107.04951	0.3
109.02885	1.4
111.04449	2.0
113.06010	0.2
114.89318	0.2
115.03944	2.3
119.04951	11.4
121.02884	0.8
121.06496	0.3
123.04416	0.4
125.02348	0.2
127.03922	5.4
127.04816	0.4
129.05495	2.6
131.04909	0.4
133.04947	1.2
137.05989	0.5
139.03908	0.5
145.02893	0.3
145.04971	4.4
147.04417	100.0
148.04767	0.9
151.03925	0.3
151.07651	0.2
153.01854	0.8
153.05447	0.3
159.60606	0.2
161.05965	0.2
163.03908	0.2
163.06020	1.0
165.01877	0.6
165.05484	3.3
167.07140	0.4
177.05434	1.2
179.05534	0.3
183.02896	0.2
187.07494	0.2
201.05544	0.6
213.05478	0.4
225.07603	0.7
243.08653	0.7
257.04327	0.2
258.05222	0.2
261.07651	0.9
279.08417	1.9
279.11288	0.4
287.05515	32.9
288.05820	0.4
291.08615	4.4
293.10175	0.8
303.04898	1.1
309.09698	26.1
310.10080	0.4
317.06683	0.5
339.10880	0.3
354.57297	0.2
367.04068	0.3
419.13324	0.4
441.13776	0.9
455.15320	0.5
529.09546	7.0
595.14526	0.3
823.78772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02919	7.2
75.04495	0.7
77.42736	0.1
79.05489	0.3
81.03417	0.8
83.04984	2.3
85.02907	16.1
87.04479	1.1
89.70287	0.1
91.05484	6.2
93.07043	0.1
94.20997	0.1
95.04993	0.4
96.38669	0.1
97.02892	5.6
97.06509	0.1
99.04466	0.9
101.06041	0.2
103.03297	0.2
103.03951	2.9
103.05480	0.2
105.07060	0.2
107.04939	0.7
109.02873	0.9
111.00797	0.1
111.04453	1.5
113.02370	0.3
113.06012	0.4
115.03937	3.8
117.05503	0.3
119.04948	14.0
121.02874	1.4
123.04446	0.3
127.03916	2.1
128.74361	0.1
129.05490	4.5
131.04941	0.4
133.02887	0.1
133.04977	1.5
133.06493	0.3
133.10085	0.2
135.04454	0.2
137.02345	0.3
137.05942	0.2
139.03934	0.3
141.06964	0.3
145.04977	1.6
145.06464	0.4
147.04414	100.0
148.04762	0.6
149.04462	3.2
149.05786	0.2
151.03902	0.2
153.01801	1.0
157.05151	0.2
157.06499	0.6
159.04485	0.1
159.08043	0.2
161.06033	0.2
163.06032	0.6
165.01848	0.4
165.05495	1.9
169.04968	1.1
169.06506	0.4
171.06525	0.2
171.08012	0.2
173.06050	0.5
175.03932	0.3
175.06042	0.5
175.07478	0.2
177.05481	0.4
183.02953	0.2
185.05952	0.7
187.06026	0.2
187.07510	0.9
189.05594	0.1
199.07649	0.2
201.05447	0.6
203.07074	0.9
205.04854	0.1
213.05507	1.1
215.07030	0.6
223.05945	0.1
225.07576	1.2
227.07027	0.2
229.08618	0.6
231.06531	3.4
241.05063	0.2
243.06448	0.3
243.08696	0.8
255.06413	0.2
255.08713	0.3
257.08078	0.2
258.05197	0.4
259.08246	0.2
261.07526	0.6
261.09900	0.2
273.07562	2.2
275.09186	0.2
279.08319	0.2
279.11194	0.5
287.05508	25.8
288.05884	0.3
291.08633	12.3
293.10159	0.5
299.05557	0.1
303.04968	1.2
305.25098	0.1
309.09677	32.1
310.09927	0.4
323.25787	0.1
329.06451	0.1
401.86502	0.1
419.13211	0.5
437.14261	0.2
441.13892	0.2
449.10526	0.1
454.35867	0.1
455.15479	0.9
471.14557	0.2
595.14276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	3.2
59.07372	1.1
60.08168	34.0
64.38895	0.2
69.03434	0.4
70.31790	0.6
70.32142	0.4
86.06067	0.4
87.04466	2.2
104.10751	100.0
113.51975	0.2
120.71336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
58.06604	2.8
58.20418	0.2
59.07397	0.5
60.08170	34.5
69.03439	0.6
71.22233	0.4
71.22559	0.4
78.50769	0.2
86.06068	0.5
87.04474	2.3
89.42641	0.2
97.28455	0.2
102.03557	0.2
104.10752	100.0
105.11096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	5.9
75.04482	0.3
81.03420	0.4
83.01353	0.1
83.04984	1.1
85.02911	7.9
87.04480	0.5
88.20885	0.1
91.05486	5.8
91.21491	0.1
93.07095	0.1
95.04987	0.2
97.02903	3.3
99.04445	0.3
101.02396	0.1
103.03952	2.4
103.04650	0.1
105.07037	0.1
107.04953	0.2
109.02875	0.5
111.00790	0.1
111.04455	0.7
113.02416	0.2
113.06032	0.3
115.03937	3.1
119.04952	13.7
120.05233	0.1
121.02856	0.3
123.04455	0.2
127.03927	2.8
128.06171	0.1
129.05495	2.1
131.03404	0.1
131.04933	0.1
131.07043	0.1
133.04991	0.8
133.06473	0.1
135.04407	0.1
137.02354	0.8
139.03918	0.1
145.04999	0.4
145.06456	0.1
147.04420	100.0
148.04758	0.9
149.04471	3.5
151.04001	0.1
153.01814	0.8
157.05127	0.1
157.06546	0.2
161.06097	0.1
162.13643	0.1
163.03915	0.5
163.05981	0.1
165.01834	0.5
165.05492	4.2
167.07071	0.1
169.04970	0.7
169.06390	0.1
171.06558	0.1
173.06046	0.2
175.06013	0.4
175.89299	0.1
177.05452	0.1
183.02892	0.2
185.06030	0.1
187.03928	0.1
187.07515	0.1
189.05582	0.1
191.03564	0.1
201.05515	0.6
203.07005	0.1
213.05620	0.1
219.06807	0.1
225.07620	0.4
229.04988	1.0
231.06558	0.3
243.08696	0.2
247.06006	0.2
255.08716	0.1
257.04468	0.8
257.07330	0.1
257.08170	0.1
261.07584	0.2
273.07349	0.1
273.09885	0.1
274.04745	0.2
275.06226	0.1
275.09161	0.6
279.08237	0.3
279.11029	0.2
285.03949	0.4
287.05487	0.2
291.08652	4.9
293.10223	1.2
303.05014	26.0
304.05316	0.3
309.09695	25.1
310.09979	0.4
315.05133	0.1
327.04852	0.1
345.06012	0.1
419.13318	0.3
425.14545	0.1
449.10410	0.2
455.15314	0.5
471.15012	0.3
611.13696	0.2
887.53723	0.1
1039.29553	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	1051.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02920	4.9
75.04477	0.3
81.03418	0.5
83.04983	1.1
84.48466	0.1
85.02908	7.9
87.04487	0.4
89.03931	0.1
91.05482	6.5
93.03420	0.1
93.07063	0.1
95.04970	0.3
97.02892	3.2
99.04459	0.3
103.03947	1.7
105.07013	0.1
107.04906	0.4
108.19561	0.1
109.02849	0.5
111.00818	0.2
111.04453	0.9
113.02359	0.3
113.06005	0.3
115.03933	2.5
119.04947	14.7
120.05294	0.1
121.02870	0.5
123.04462	0.2
127.03916	2.3
129.05489	2.5
133.04980	0.9
135.04443	0.2
137.02328	0.9
139.03885	0.1
145.04948	0.5
145.06525	0.1
147.04413	100.0
148.04752	0.9
149.02441	0.2
149.04454	2.6
151.03902	0.1
153.01819	1.1
157.06511	0.1
161.05978	0.2
163.03947	0.6
163.06006	0.1
165.01837	0.6
165.05482	4.1
169.04976	0.7
169.06393	0.1
171.04317	0.1
171.08154	0.1
173.06007	0.2
175.06081	0.4
181.04872	0.1
183.02913	0.3
183.04346	0.1
185.05927	0.1
187.03876	0.1
187.07469	0.1
189.05489	0.2
195.02878	0.1
197.06059	0.1
201.05501	0.7
213.05550	0.2
215.06906	0.1
219.02956	0.1
219.06514	0.1
225.07610	0.6
229.04973	1.4
231.06528	0.1
237.07620	0.1
243.06578	0.1
243.08731	0.3
247.06093	0.2
255.08665	0.1
257.04489	0.9
257.08173	0.2
261.07565	0.2
273.09872	0.1
274.04718	0.3
275.06284	0.1
275.09146	0.6
279.08154	0.3
279.11011	0.2
285.03958	0.5
287.05484	0.3
291.08633	3.5
292.08936	0.1
293.10190	1.3
303.04996	39.2
304.05286	0.5
309.09671	16.6
310.10138	0.2
321.00531	0.1
325.09097	0.1
345.06079	0.2
419.13324	0.2
431.10272	0.1
435.09305	0.1
449.10730	0.3
455.15341	0.5
465.10532	0.1
471.14706	0.1
611.14771	0.3
901.43945	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	1057.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	3.1
81.03412	3.2
85.02900	2.2
91.05489	5.0
93.03387	2.5
94.27525	1.3
95.04986	3.6
98.21414	1.6
103.05465	2.0
105.03407	2.6
107.04967	5.5
111.04452	3.3
115.05447	3.5
119.04966	4.2
121.02871	2.7
123.04435	39.5
131.04951	4.2
135.04440	9.1
139.03909	41.3
141.01854	3.0
143.05006	1.5
145.02846	2.9
145.06422	2.2
147.04430	20.4
149.06018	2.3
151.03903	18.2
157.02838	2.2
159.04451	5.2
161.05951	3.3
163.03911	46.2
165.05527	5.6
171.04382	2.8
173.02365	2.5
173.06006	3.8
175.03914	17.6
175.05296	1.9
176.04694	2.4
177.01913	1.6
177.05492	10.6
179.03426	2.2
181.04938	1.8
183.04355	1.8
185.02344	2.9
185.06079	1.6
187.03934	14.6
189.05492	12.4
191.03343	3.3
193.04997	4.6
199.03961	7.0
201.01770	3.2
201.05502	11.5
203.03372	9.2
203.07039	2.3
205.04984	16.9
211.03943	2.7
213.01814	4.8
213.05524	4.1
215.03404	11.5
217.05035	10.9
219.06512	2.4
227.03407	5.4
229.01346	5.8
229.04932	10.7
231.02901	33.1
235.05957	2.3
237.05481	2.1
239.03365	3.1
241.01349	7.2
241.04959	3.4
243.02983	7.9
245.04555	2.5
247.02193	7.3
247.05968	6.9
251.06952	1.7
253.05057	1.9
255.02910	7.0
255.05936	1.6
257.00845	6.3
257.04495	2.9
259.02396	49.3
259.05209	2.7
261.03934	3.6
265.04767	2.4
265.07397	2.9
267.02890	3.0
269.04422	4.9
271.02402	8.9
271.05853	3.3
273.00671	2.7
273.03983	7.1
273.07693	1.7
275.01801	11.5
275.06796	2.1
276.02780	2.4
277.03433	100.0
279.02924	1.4
281.04379	4.4
283.02353	6.0
283.08395	1.9
285.00317	4.0
285.03864	3.4
285.07635	3.1
287.01892	5.4
289.03378	28.3
291.08838	6.3
293.04236	1.7
295.06094	2.1
297.04028	5.5
297.07443	2.2
299.01926	22.4
301.00052	3.1
301.03311	16.7
302.00546	2.1
303.01352	58.0
305.04596	2.0
309.04163	2.8
309.07571	5.0
311.01926	2.3
311.05322	2.4
313.03372	14.9
315.01395	44.2
315.04965	3.5
317.03033	4.2
321.03488	4.1
323.01910	4.1
323.05484	2.0
324.02734	1.9
325.03540	4.6
327.01437	17.0
327.04996	2.6
328.99246	9.6
329.02789	2.7
331.00793	12.3
333.03574	2.7
335.05273	1.7
337.03433	10.4
339.01395	11.7
339.05103	6.9
339.08606	1.9
341.02896	18.9
343.04620	6.3
345.02402	58.8
349.03400	5.3
351.01337	3.2
351.08643	3.4
353.03009	5.5
355.00690	3.0
355.04803	5.7
357.03033	2.3
361.03391	4.5
363.04758	3.9
365.02762	6.8
367.00540	1.7
367.04520	8.7
369.02463	12.4
369.09738	5.8
371.05679	2.0
373.02719	4.1
377.02951	6.3
379.04538	5.3
381.02182	7.6
384.97653	1.5
385.05447	4.9
387.04904	4.1
389.02725	2.6
391.04593	6.9
393.02225	8.4
395.04025	5.7
399.04144	4.2
399.10629	1.7
403.04498	3.6
405.02222	3.1
407.03973	3.8
409.05841	3.3
411.03168	7.4
415.04645	4.1
417.02353	3.6
419.04129	7.9
421.05753	3.0
423.05435	2.6
429.04199	3.0
431.03842	2.2
433.06021	2.4
435.03278	2.2
437.05173	8.6
439.06238	4.5
443.04001	3.7
447.03476	8.5
449.05200	6.5
451.06799	1.7
457.05734	1.8
459.03613	3.9
461.05045	6.2
463.02039	6.2
465.04514	27.2
471.03076	2.6
475.02850	4.7
477.04483	11.8
481.03662	2.1
483.05746	3.8
485.05325	1.6
489.04599	11.5
495.03705	2.0
501.04410	3.8
503.05847	2.3
505.07828	7.7
507.05682	4.8
513.04431	6.7
519.05365	4.6
523.08911	3.0
531.05634	18.1
541.09729	4.3
543.06317	2.0
549.06573	13.9
559.10767	2.2
561.06763	1.6
567.07751	31.1
571.08752	2.9
579.07751	2.3
581.06573	1.8
583.08588	2.0
585.08734	90.9
586.09021	2.8
597.07581	3.2
599.08044	4.7
603.09888	14.6
609.06927	3.0
623.07642	2.6
647.07379	1.8
665.08966	3.8
683.10419	2.2
700.50214	1.4
719.11823	5.1
869.07874	6.4
887.09198	11.6
905.09167	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	1065.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04469	0.5
79.05492	0.2
81.03426	1.9
83.01354	0.2
83.04986	2.8
85.02909	26.0
87.04467	0.7
91.03960	0.7
91.05484	6.2
93.07031	0.1
95.04977	0.3
97.02895	5.8
98.20787	0.1
99.04462	1.1
101.02406	0.2
103.03931	0.2
105.07048	0.2
105.99599	0.1
107.04979	0.8
109.02895	2.1
111.00779	0.2
111.04446	2.3
115.03927	0.6
115.05452	0.1
117.07027	0.1
119.04951	14.8
121.02870	1.5
123.04443	0.3
125.02341	0.4
127.03925	3.9
128.06216	0.1
129.05489	5.9
131.04941	0.3
133.02827	0.2
133.04991	0.9
133.06493	0.3
135.04442	0.1
137.02335	0.2
137.06006	0.2
139.03903	0.1
141.06999	0.3
144.05756	0.1
145.04973	5.3
145.06419	0.3
147.04417	100.0
148.04765	0.9
149.06001	0.2
151.03937	0.3
153.01834	1.0
153.05363	0.1
155.08304	0.1
157.06512	0.7
159.04359	0.1
161.06012	0.1
163.06015	1.4
165.01828	0.5
165.05490	1.7
167.07083	0.1
169.05167	0.1
169.06436	0.5
171.04430	0.1
171.06595	0.1
171.08072	0.2
173.05974	0.5
173.09685	0.1
175.03934	0.4
175.07573	0.2
177.05557	0.2
179.05533	0.8
181.04984	0.2
181.06645	0.1
183.02908	0.3
183.08073	0.2
185.06039	0.9
187.07516	0.9
189.05431	0.1
197.05873	0.1
199.05983	0.2
199.07626	0.2
201.05518	0.7
201.09122	0.1
203.07057	0.7
205.05098	0.1
205.07004	0.1
207.06474	0.2
211.07677	0.1
213.05515	1.0
215.07124	0.5
227.07031	0.3
229.08658	0.5
231.06551	3.0
231.08643	0.1
237.07669	0.2
241.04974	0.2
243.06499	0.2
255.06563	0.1
255.08737	0.9
257.08212	0.2
258.05298	0.2
259.05841	0.1
261.07645	0.4
273.07556	2.0
273.09848	0.8
275.09097	0.3
287.05511	28.5
288.05859	0.4
291.08630	11.6
293.10089	0.8
303.05045	0.5
309.09671	33.2
310.10089	0.3
329.06396	0.2
333.31882	0.1
401.12354	0.2
405.10114	0.1
419.13333	0.8
437.14355	0.2
449.10669	0.2
455.15530	1.4
471.15009	0.3
595.13892	0.2
719.25250	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01603	0.3
51.02373	0.8
53.00304	0.2
53.03947	5.5
55.01867	1.1
56.96570	4.2
57.22913	0.2
57.49242	0.2
59.16460	0.2
62.00264	0.2
62.99084	1.5
65.03935	0.8
67.05503	0.3
67.60627	0.2
68.41260	0.2
69.42835	0.2
69.65553	0.5
69.65964	0.8
74.51828	0.2
75.01030	2.0
75.06392	0.2
77.03937	1.3
79.05494	15.1
80.05013	0.6
81.03412	0.8
83.52349	1.0
84.01570	4.2
90.32539	0.2
91.05484	7.9
92.52859	0.3
93.02081	1.1
95.04973	6.6
98.21576	0.3
100.72305	0.2
105.04520	3.2
105.07037	2.0
106.06522	0.4
107.04957	100.0
107.08588	3.4
108.04465	0.6
108.05282	0.7
108.08125	0.3
109.06524	0.9
116.82705	0.2
119.06008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01868	1.1
60.61493	0.6
62.99077	1.5
65.03949	13.6
67.05508	3.8
79.05503	21.3
80.37341	0.6
84.01570	1.1
91.05492	100.0
92.06273	3.3
95.04971	1.9
97.01934	0.6
97.64204	0.6
98.20804	1.9
105.07045	37.1
106.04182	1.4
107.04973	11.0
107.08607	60.1
109.06532	15.5
116.41379	0.6
119.06096	13.4
124.05211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03933	3.5
54.28599	1.1
62.99073	1.4
65.03944	9.9
67.05506	4.6
70.00117	1.1
70.00786	1.0
71.08807	1.5
77.03965	1.4
79.05497	41.3
82.87326	1.0
90.88730	1.0
91.05485	100.0
92.06283	3.9
94.95819	0.9
95.04965	2.4
105.04517	1.3
105.07034	31.1
107.04961	12.1
107.08598	52.9
109.06531	14.2
119.06065	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
60.01903	0.7
62.99093	0.8
65.03952	11.3
67.05506	3.4
67.57587	0.7
69.18139	4.5
69.18565	2.7
70.26968	0.7
74.31820	0.7
79.05153	0.8
79.05502	39.6
91.05492	100.0
92.06290	3.5
95.04980	2.1
105.07041	34.0
106.04185	1.7
107.04971	8.9
107.08607	54.2
109.06522	13.0
112.87906	0.8
119.06088	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03942	2.7
62.99064	1.1
65.03944	11.3
67.05503	5.0
69.74547	2.7
69.74969	1.2
77.03925	1.0
79.05495	41.1
81.37048	0.7
91.05483	100.0
92.06268	3.6
95.04978	2.5
101.17023	0.7
103.05466	0.7
105.04522	1.2
105.06321	1.5
105.07036	30.1
106.04176	0.8
107.04946	9.4
107.08596	48.1
109.06518	9.8
119.06067	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	1071.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	3.7
81.03426	4.1
81.07053	10.0
82.02074	0.3
83.01335	1.3
83.08624	1.5
85.02902	76.7
87.04464	0.9
91.03951	45.9
91.05473	3.7
93.07037	7.6
95.01325	19.4
95.04971	0.6
95.08605	11.5
97.02888	42.1
97.10146	0.9
99.00819	1.9
99.04445	3.6
101.02378	1.5
103.03943	4.2
105.07027	6.0
107.08595	11.5
109.02864	3.8
109.10152	5.2
111.11659	0.4
113.02332	2.3
114.87626	0.4
115.03918	3.5
115.05506	0.7
117.05503	1.0
117.07017	0.8
119.08580	7.3
120.87446	0.3
121.10146	6.5
123.00816	1.2
123.11714	3.0
125.02289	0.4
127.03916	34.3
128.06194	0.9
129.06992	1.2
131.03433	1.1
131.08562	4.2
133.10129	4.9
135.11694	5.1
137.05902	0.3
137.13219	2.3
139.03896	1.0
141.01823	66.9
141.06972	0.8
142.07805	0.4
143.08516	2.8
144.09367	0.6
145.04956	44.8
145.10109	6.7
147.11687	6.3
149.13258	14.3
150.68256	0.4
151.03970	0.4
151.14832	0.4
155.08562	2.8
156.09280	0.4
157.10133	3.7
159.02881	13.0
159.11682	5.6
161.13243	2.7
163.06010	100.0
163.14816	22.1
164.06386	0.7
164.15143	0.5
168.06544	0.4
168.25171	0.3
169.10081	2.8
170.10875	0.4
171.11679	3.1
173.13246	4.2
174.58925	0.4
175.14825	8.2
177.03938	2.6
177.16370	3.7
181.10083	0.5
183.11702	2.6
185.13229	2.9
187.14816	8.5
187.16447	0.6
189.16374	7.2
189.87453	0.3
191.17906	2.0
195.11684	0.5
197.13255	2.5
199.14818	3.2
201.16388	6.6
203.17896	3.3
204.08620	1.1
209.13298	0.7
211.14804	2.1
213.16396	3.8
215.17931	4.6
217.19543	1.2
223.14848	0.8
225.16324	2.5
227.14394	0.4
227.17921	3.4
229.07167	0.5
229.19511	3.2
237.16409	1.0
239.17931	4.1
240.18782	0.5
241.19513	5.3
243.21130	2.2
245.22626	0.8
249.05928	0.4
253.19490	4.7
254.19910	0.8
255.21086	5.4
257.22693	1.0
265.19437	0.8
267.21033	4.1
269.22653	1.6
273.06390	0.3
279.21027	1.3
281.22668	1.5
285.06030	3.7
285.22064	0.9
293.22641	1.3
294.23477	0.6
295.24222	0.6
303.07056	3.5
307.24234	0.7
321.08154	12.8
321.16623	0.4
321.25854	0.6
325.11276	3.3
333.25635	0.7
339.09213	14.4
348.28058	0.7
349.28619	0.5
376.31293	0.5
376.35785	0.4
391.33575	89.1
392.33832	2.3
409.29517	0.6
409.34628	7.9
549.35651	1.0
565.01721	0.4
567.36975	1.7
585.37793	4.5
641.59015	0.4
747.43109	2.3
749.40582	0.4
816.69281	0.4
923.07568	0.5
1071.50867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04491	0.1
79.05491	0.1
81.03426	1.7
83.01337	0.2
83.04541	0.1
83.04993	1.2
85.02911	16.9
86.03223	0.1
87.04485	0.4
91.03949	0.5
91.05489	6.4
95.04982	0.2
97.02900	4.4
99.04462	0.8
103.03925	0.2
104.13950	0.1
107.04959	0.3
109.02883	1.5
111.00820	0.1
111.04453	1.2
115.03963	0.5
116.02306	0.1
118.04130	0.1
119.04953	14.4
120.05219	0.1
121.02891	0.3
123.04443	0.2
125.02352	0.3
127.03927	5.0
129.05490	2.7
133.04990	0.7
133.06459	0.1
135.04451	0.1
137.02350	0.6
137.05991	0.1
139.03908	0.1
145.04974	4.1
147.04422	100.0
148.04762	1.0
149.02341	0.1
149.05977	0.1
151.03905	0.2
153.01826	0.7
157.06543	0.1
161.06148	0.1
161.09637	0.1
163.03946	0.3
163.06010	0.7
165.01866	0.6
165.05486	4.3
169.05013	0.1
169.06424	0.1
173.06026	0.1
177.05540	0.1
179.05553	0.6
183.02910	0.1
185.06013	0.1
187.07568	0.1
189.07794	0.1
195.60309	0.1
199.06110	0.1
201.05478	0.5
203.07063	0.1
213.05464	0.1
219.06621	0.1
225.07471	0.1
229.05013	1.0
229.07056	0.1
231.06654	0.2
237.07724	0.1
247.05914	0.2
255.08638	0.6
257.04486	0.8
257.07330	0.1
257.07748	0.1
273.09821	0.4
274.04813	0.2
275.09143	0.5
285.03998	0.3
287.05600	0.1
291.05295	0.1
291.08640	4.9
293.10181	1.0
303.05017	27.2
304.05283	0.4
309.09692	26.8
310.10019	0.3
345.05984	0.1
419.13419	0.6
449.10638	0.2
455.15457	0.7
467.19662	0.1
471.14999	0.4
559.62128	0.1
611.13611	0.3
768.53943	0.1
1081.37000	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	1081.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04481	0.3
78.08889	0.1
81.03416	1.7
83.01354	0.1
83.04985	1.1
85.02903	17.2
87.04467	0.5
91.03954	0.5
91.05477	6.2
92.05841	0.1
95.04989	0.3
97.02888	4.4
97.03518	0.2
99.04466	0.8
101.68238	0.1
103.03929	0.2
105.07023	0.2
107.04959	0.3
109.02877	1.5
111.00796	0.1
111.04440	1.1
115.03893	0.4
119.04942	14.3
120.05246	0.1
121.02858	0.3
123.04427	0.2
125.02364	0.3
127.03915	5.1
129.05481	2.5
131.04895	0.1
133.04964	0.8
135.04443	0.1
137.02335	0.7
137.05981	0.2
145.04955	3.9
147.04407	100.0
148.04761	0.9
149.02315	0.1
151.03897	0.1
153.01788	0.7
153.05280	0.1
157.06546	0.1
161.05969	0.1
163.03894	0.3
163.06013	0.8
165.01862	0.4
165.05478	3.9
173.05988	0.2
175.53024	0.1
177.05414	0.1
179.05478	0.4
181.51237	0.1
183.02953	0.2
185.05960	0.1
187.07471	0.2
193.72350	0.1
199.06006	0.1
201.05487	0.5
219.06775	0.1
229.05023	0.9
229.07144	0.2
231.06491	0.2
237.07570	0.3
247.06061	0.2
255.08646	0.6
257.04449	0.6
257.07877	0.1
273.09671	0.4
274.04745	0.1
275.09161	0.6
285.04080	0.4
291.08609	4.7
293.10217	1.3
303.04984	28.0
304.05341	0.5
309.09659	25.9
310.09918	0.4
357.56073	0.1
419.13297	0.4
449.10562	0.1
455.15411	0.7
471.14905	0.4
611.14056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5332
Annotation	Camellioside C
Peak:m/z	Relative Intensity
79.05495	2.4
81.03405	0.9
81.06638	0.4
81.07061	4.3
83.08624	1.5
85.02908	12.9
87.94900	0.4
91.03955	7.5
91.05476	5.3
93.07051	6.1
95.01331	3.9
95.01887	0.5
95.04956	0.6
95.08611	9.8
97.02895	6.9
97.06535	0.6
97.10164	0.9
99.00802	0.4
99.04456	0.6
102.80230	0.3
103.03896	0.6
103.05482	0.3
105.07031	9.9
107.08599	10.5
109.02891	0.6
109.06496	0.4
109.09469	0.5
109.10162	6.4
111.08089	1.2
113.02338	0.7
115.03935	0.5
117.07016	1.0
119.08584	30.4
121.06475	0.6
121.10146	6.6
123.08048	0.5
123.11699	3.7
127.03918	5.2
129.06964	0.6
131.08559	2.1
133.06509	1.9
133.10133	15.1
135.08066	3.2
135.11700	7.6
136.22005	0.3
137.13213	0.6
139.11172	0.4
141.01833	11.8
142.07835	0.4
143.08542	1.7
145.03909	0.5
145.04980	7.7
145.10136	3.7
147.08066	1.9
147.11687	7.6
149.09610	0.6
149.13280	4.5
151.11232	1.4
157.10121	2.0
158.10841	0.4
159.02893	2.1
159.11685	3.5
160.12389	0.4
161.09619	1.4
161.13255	4.6
163.06017	13.1
163.14830	2.1
164.06262	0.3
165.12737	0.4
169.10146	0.6
170.10851	0.5
171.11694	1.2
173.13269	2.7
175.11226	0.4
175.14833	11.7
177.03932	0.4
177.12868	0.4
177.16428	1.6
179.14438	0.3
184.12474	0.4
185.13258	1.8
187.14827	3.2
189.12778	0.3
189.16379	11.2
191.14317	4.3
191.15948	0.4
191.16272	0.3
191.17946	3.4
192.89740	0.3
197.13142	0.5
199.14796	1.8
201.12753	1.7
201.14703	0.3
201.16411	2.7
203.14319	38.2
203.17928	7.4
204.14806	0.5
205.15880	7.5
205.19505	1.3
207.17464	1.0
211.14832	0.4
213.16374	1.0
215.14307	0.7
215.17935	1.3
217.15881	43.3
217.19464	2.0
218.16214	0.6
221.19066	0.6
227.17940	1.2
229.15906	0.4
229.19493	0.7
237.16322	0.4
241.19582	1.2
243.21136	0.7
245.71382	0.3
251.17989	0.4
253.19292	0.6
255.17331	0.3
255.21152	0.5
257.18817	0.4
271.20584	0.8
285.22235	0.4
303.07077	0.7
321.08011	1.4
325.11047	0.4
339.09195	2.6
379.33463	1.5
389.31836	2.5
407.33109	39.2
408.33585	1.5
425.34149	100.0
426.34537	3.7
601.37415	9.1
602.37653	0.7
763.42664	5.2
764.41705	0.4
914.80719	0.3
992.71045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03711	0.6
53.03950	9.4
55.01872	4.5
55.05510	5.0
61.53076	0.5
65.03949	4.0
65.99302	0.5
66.04720	1.1
67.05508	50.2
69.07076	3.0
69.60677	0.5
71.07016	0.8
71.07349	0.5
73.91284	0.4
74.99796	1.2
77.99944	0.7
79.05495	32.9
80.06264	0.9
81.03422	14.5
81.07059	44.1
86.00716	1.7
86.50609	3.3
87.00474	4.9
91.05486	8.6
94.04192	2.6
94.07837	0.7
95.04946	0.6
97.51499	0.6
98.01392	0.8
98.51225	0.6
105.04552	0.6
107.04939	0.9
107.08600	1.7
109.02899	4.6
109.06522	100.0
109.10159	32.2
110.06048	2.6
110.06876	1.4
111.96903	0.6
112.96682	1.2
113.96395	1.7
114.10715	0.5
122.55480	0.5
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	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.05518	9.7
65.03948	4.8
67.05507	100.0
69.07066	5.9
70.07788	1.3
70.08183	2.0
79.05495	13.3
80.06291	1.1
81.03423	3.4
81.07059	38.8
86.00686	1.0
86.50632	0.7
87.00497	1.3
91.05502	3.6
94.04182	1.8
94.07842	1.7
98.21447	1.1
101.44677	0.7
107.08575	4.3
109.02902	1.4
109.06521	30.8
109.10160	63.7
110.06012	0.9
110.10497	0.8
111.17168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.51740	0.5
53.03952	3.1
53.52589	0.6
55.05512	8.7
61.24272	0.5
65.03933	3.5
67.05506	100.0
68.05822	0.6
69.07064	4.3
71.13169	1.2
77.50101	0.6
77.99937	0.9
79.05495	8.1
79.08693	0.5
80.06288	0.8
81.03409	3.9
81.07060	32.6
86.00716	1.9
86.50620	1.2
87.00459	3.9
91.05476	1.0
94.07838	1.0
97.15242	0.5
107.08604	4.0
108.07586	0.7
109.02911	1.4
109.06512	5.9
109.07655	1.1
109.10159	62.6
110.06058	1.4
110.10455	0.6
112.96688	0.5
113.95589	0.5
113.96394	1.9
119.07913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.05520	9.8
65.03951	3.5
67.05512	100.0
69.07076	5.2
71.11872	1.0
77.99938	1.1
79.05502	7.9
80.06306	1.1
81.03423	4.3
81.07066	32.5
86.00726	2.0
86.50632	2.3
87.00475	5.1
91.05490	1.3
94.07851	1.1
106.56072	0.7
107.08584	4.4
109.02917	1.5
109.06532	3.7
109.10165	60.2
110.06060	0.8
111.96835	0.7
113.96413	2.0
115.91722	0.7
115.99338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02401	1.3
53.03950	12.2
55.01876	1.2
55.05519	8.8
58.50183	0.6
63.55523	0.7
65.03958	4.0
67.05515	100.0
69.07073	6.5
69.51226	5.1
73.80022	0.6
74.99840	0.9
75.13658	0.6
77.00194	0.9
77.50124	1.1
77.99971	1.7
79.05505	16.3
79.52232	0.7
81.03075	0.5
81.03429	26.4
81.07066	42.3
82.06564	1.1
86.00710	4.4
86.50644	3.1
87.00472	8.0
91.05504	4.1
94.04188	5.1
94.07867	1.1
96.00976	0.8
107.04967	2.3
107.08606	3.7
109.02902	6.9
109.06534	36.5
109.07712	1.4
109.10172	62.9
110.06079	3.9
112.27597	0.8
112.96708	1.2
113.96433	2.5
119.06107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	0.3
81.03413	0.8
81.07059	0.2
83.04980	17.0
84.05280	0.1
85.02904	20.9
87.04474	1.6
91.05481	7.5
93.07034	0.1
95.04966	2.9
97.02890	1.4
97.06536	0.2
98.20812	0.2
99.04446	1.9
99.05026	0.2
101.06008	0.6
105.07011	0.2
107.04953	0.8
109.02864	0.8
109.06567	0.2
111.00777	0.2
111.04440	17.5
112.04765	0.2
113.06006	1.6
115.03938	0.2
115.05404	0.1
117.05505	0.8
119.04939	16.0
120.05260	0.1
121.02872	1.6
121.06507	0.3
123.04438	0.3
125.05971	0.5
127.03906	1.6
129.05478	25.8
130.05797	0.2
131.04897	0.2
133.06442	0.5
135.04442	0.4
137.02361	0.3
137.06003	0.6
139.03909	0.2
141.05458	0.2
141.06961	0.2
145.04961	0.4
145.06458	0.5
147.04408	100.0
148.04756	1.0
149.05940	0.4
151.03899	0.1
151.07559	0.3
153.01866	1.1
153.05463	4.1
157.04974	0.7
157.06343	0.7
159.06520	0.5
159.07854	0.2
161.05997	0.2
163.06026	1.1
165.01779	0.7
165.05484	1.7
167.07077	0.3
169.05031	0.2
169.06494	0.4
171.04356	0.1
171.06554	1.2
171.07936	0.2
173.05960	0.5
173.08090	1.4
175.03944	0.4
175.07533	0.4
177.05516	0.4
179.07039	0.4
181.04979	0.2
181.06467	0.2
183.02914	0.3
183.08037	0.2
185.05962	0.8
186.93935	0.1
187.05995	0.3
187.07570	0.8
189.07579	25.2
190.07851	0.2
191.07170	0.1
193.08644	0.5
195.06493	0.6
199.05981	0.1
199.07559	0.2
201.05490	0.4
201.07428	0.2
201.09171	0.1
203.07042	0.7
205.07066	1.0
211.09720	0.2
213.05479	1.2
213.07559	0.4
215.07077	0.5
215.08955	0.1
221.08095	0.8
227.07085	0.2
229.04865	0.1
229.08656	0.5
231.06546	3.1
231.08694	0.7
237.07544	0.2
239.09157	3.3
241.04915	0.3
243.06573	0.3
255.06334	0.2
255.08632	0.5
257.07996	0.2
257.10236	1.8
258.05289	0.4
259.05994	0.1
261.07571	0.3
273.07523	1.8
273.10046	0.2
275.08890	0.3
275.11520	0.2
287.05493	33.7
288.05798	0.5
291.08621	11.4
292.09030	0.2
293.10172	0.6
299.11209	0.9
309.09674	31.5
310.10022	0.6
311.05658	0.2
317.12289	4.5
329.06625	0.2
333.11710	0.1
335.13809	1.9
401.12204	0.2
419.13318	0.4
443.15271	0.1
454.58286	0.1
455.15311	0.4
471.14551	0.2
479.15311	0.5
497.16589	1.3
572.30304	0.1
595.14008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
78.09286	0.2
78.38224	0.2
79.05508	2.0
81.02981	0.5
81.03425	5.2
81.07066	6.1
83.01336	1.2
83.04988	0.6
83.08618	1.0
85.02908	82.0
87.04462	2.4
91.03959	33.3
91.05479	3.0
93.07053	5.5
95.01335	23.6
95.04961	0.7
95.08611	42.6
96.08937	0.4
97.02895	71.0
97.10169	0.6
98.03236	0.3
99.00835	2.9
99.04451	4.2
101.02370	1.9
103.03302	0.4
103.03951	6.3
103.05447	0.4
105.07032	4.8
107.07871	0.3
107.08601	6.8
109.02881	4.7
109.06514	0.9
109.09450	0.4
109.10158	5.4
111.04452	0.8
111.08077	0.3
113.02380	4.3
115.03933	21.3
117.05506	0.6
117.07054	0.3
119.08592	6.2
121.02967	0.2
121.06483	0.7
121.10159	4.7
123.00793	1.1
123.04420	0.8
123.08048	0.8
123.11716	3.2
125.02361	0.4
127.03923	36.7
129.06984	0.4
131.03377	2.0
131.08582	2.0
133.04971	21.8
133.10132	3.5
135.04457	0.4
135.08124	0.3
135.11705	4.6
137.02351	0.8
137.09618	0.9
137.13269	2.4
139.03914	1.9
141.01834	93.5
142.02187	0.7
143.03409	0.5
143.08563	1.3
145.04967	45.3
145.10110	3.4
147.08011	0.9
147.11696	3.9
149.09674	0.3
149.13287	2.7
151.03909	0.7
153.05502	0.3
153.09085	0.6
155.03389	0.7
155.08521	0.4
157.04973	1.4
157.10101	1.9
159.02896	21.8
159.08084	1.0
159.11690	3.0
161.09624	1.1
161.13283	2.6
163.06021	100.0
163.14845	1.3
164.06409	0.7
169.04950	0.6
169.10139	0.8
171.11679	1.0
173.04492	0.8
173.09593	0.8
173.13277	2.1
174.12080	0.3
175.05988	0.3
175.11188	1.0
175.14830	2.4
177.03955	3.9
177.05350	0.5
177.09258	0.3
177.12811	0.7
177.16431	1.0
179.14308	0.3
181.04921	0.6
181.07141	0.4
181.10165	0.4
183.02867	0.4
183.11690	0.8
185.09669	0.5
185.13290	1.1
187.05956	0.6
187.11176	0.5
187.14833	2.6
189.12761	1.3
189.16385	4.8
191.14264	0.5
191.17964	6.4
193.04979	0.9
193.15857	0.4
195.06516	0.3
195.11710	0.5
197.13315	0.5
199.05983	1.3
199.11261	0.3
199.14867	1.5
200.05521	0.5
201.03912	0.3
201.12752	0.4
201.16379	3.2
203.14336	4.9
203.17963	3.3
204.08757	1.6
205.07205	0.3
205.15848	0.8
205.19518	0.4
207.17418	0.3
211.05956	1.2
211.14857	0.6
213.16396	0.9
215.14349	0.9
215.17978	1.3
217.07079	3.3
217.15889	3.0
217.19508	0.7
219.04997	3.1
219.17514	0.6
223.06001	3.0
225.16403	0.4
227.05539	0.3
227.14294	0.5
227.17990	1.0
229.07114	0.6
229.15991	1.5
229.19556	1.5
231.04990	0.8
231.17276	0.3
233.15388	0.8
237.03885	0.5
237.16556	0.6
239.17917	0.6
241.04788	0.4
241.07089	6.0
241.15875	0.3
241.19588	0.5
243.17439	0.6
243.20905	0.3
245.19028	0.7
247.08095	0.6
251.18013	0.5
253.19508	0.7
255.05011	4.0
255.17513	1.0
255.21062	0.7
257.18970	1.6
259.08139	11.3
261.06046	0.6
267.21091	0.6
269.19141	0.3
269.22598	0.7
271.20630	1.0
271.24088	0.3
273.06064	16.9
277.09180	3.9
281.22635	0.3
283.20657	0.6
285.06064	4.4
285.22165	0.3
291.03864	0.3
291.07117	8.9
295.10251	30.0
296.10767	0.3
297.22495	0.4
303.07135	5.1
309.08167	11.5
309.22205	0.3
311.23706	0.6
313.25256	3.3
321.08176	23.0
325.11304	2.0
337.25522	0.4
339.09238	37.1
340.09625	0.3
355.18201	0.3
365.28085	0.4
365.32251	0.4
379.33447	0.6
389.32101	2.9
399.09119	0.3
407.33118	45.1
408.33359	1.2
417.10364	0.8
425.34164	33.2
426.34250	1.1
435.11414	0.4
453.12283	1.3
457.15759	0.4
471.13574	0.6
518.40863	0.3
601.37183	0.5
861.44501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05470	0.2
81.06990	0.7
81.33564	0.2
85.02890	1.1
91.03876	0.3
91.05413	0.3
92.59982	0.2
93.07021	0.2
95.04929	0.2
95.08610	1.9
96.08862	0.3
97.02825	0.8
98.97524	0.2
101.00858	0.2
101.62708	0.2
102.96792	0.2
105.06956	0.6
107.08514	0.5
109.10098	0.3
113.02090	0.3
115.03929	0.2
119.00986	1.2
119.01833	0.4
119.08493	0.5
121.10098	0.4
123.11680	0.4
127.03796	0.3
133.10091	0.3
135.11613	0.2
137.02003	0.6
137.13164	0.3
139.03972	0.2
141.01775	0.3
145.04930	0.4
145.10048	0.3
149.13181	0.4
155.01842	0.4
155.03035	0.2
157.03474	0.2
157.09984	0.2
157.23166	0.2
158.99567	0.2
163.05965	0.4
170.99440	0.2
173.04192	0.9
181.01057	0.4
185.02831	0.2
185.04228	2.7
203.05305	1.0
203.14444	0.2
217.03197	0.3
219.01726	0.5
221.04941	0.2
223.01003	0.3
237.02774	0.4
241.02028	0.2
245.06482	4.6
261.02780	0.3
263.06000	0.3
269.06317	5.8
273.05710	0.6
279.03976	0.3
281.06351	2.1
283.03195	0.2
299.07367	4.3
299.10559	0.4
317.08420	2.8
333.07996	0.4
335.09476	100.0
336.09756	1.3
341.09235	0.2
343.06381	2.6
361.07352	1.0
365.10547	5.9
379.08505	0.8
397.06564	0.2
407.11639	0.2
407.32965	0.5
408.33441	0.4
425.33963	0.3
479.13940	0.4
493.11520	1.4
497.14880	0.7
565.12335	0.3
590.46411	0.2
627.17621	0.6
655.16925	36.6
656.17413	0.8
673.17767	0.5
689.14343	0.3
690.14795	0.4
691.14948	0.5
693.14160	0.8
694.14447	0.2
695.44678	0.2
922.69397	0.2
922.88202	0.2
1097.51404	97.4
1098.51416	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	110.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51660	0.6
51.40256	0.3
53.03935	0.5
54.04276	0.6
54.93835	1.2
55.01862	1.1
55.05503	0.6
56.96548	0.5
57.03431	0.4
57.52409	0.4
58.99860	0.8
59.52192	0.4
65.03951	0.4
65.52193	1.8
65.99303	4.5
66.52952	1.9
67.04248	0.8
67.05514	0.6
68.02654	1.0
68.05039	0.9
68.49574	0.9
68.52685	0.4
68.98293	1.2
69.03457	3.2
69.07067	0.5
69.21648	2.0
69.22072	1.2
69.96191	0.3
71.02994	3.2
71.94095	5.3
72.04514	5.1
73.05293	2.2
74.06079	1.1
74.99832	20.2
75.50031	0.6
75.53497	13.0
76.03546	1.6
77.00900	1.2
77.50101	12.7
77.99920	3.6
78.01972	0.4
78.03757	11.2
78.52982	1.9
78.53828	0.8
79.01859	1.0
79.53731	0.4
81.03428	1.3
82.01440	9.4
82.03764	2.1
82.06595	2.0
83.04984	0.5
84.00356	4.6
84.52962	1.7
84.54021	1.4
85.53747	1.4
86.00939	0.4
86.50624	72.0
86.52716	1.2
86.99345	1.5
87.00432	14.3
87.02478	1.3
87.04282	100.0
87.50795	0.5
87.53532	0.5
87.54346	10.3
88.00501	1.6
88.04147	1.2
89.00871	0.5
89.54562	0.6
89.95130	1.1
92.52727	0.5
93.53500	1.1
95.51130	4.5
95.53226	1.1
96.00999	0.5
96.04260	0.6
96.04818	5.4
96.54878	0.8
97.00091	0.6
97.00990	0.8
97.02896	1.2
97.06542	0.4
98.01382	2.2
98.03465	0.7
98.21629	0.6
98.51225	0.7
98.52673	2.2
98.54498	1.2
98.55086	4.2
100.02484	19.9
101.02556	1.8
102.02253	0.9
103.02489	0.5
104.01955	0.5
105.00381	1.6
107.04017	0.8
107.53216	0.8
107.54131	0.4
107.96162	0.8
110.06048	12.5
110.07169	0.6
111.04440	0.8
112.96713	19.1
113.96407	4.6
113.97083	0.5
114.03197	0.4
115.01187	1.5
115.02428	0.5
115.96415	0.5
118.03523	7.4
119.03591	0.4
120.03270	0.5
123.04032	0.4
129.04037	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	1.3
81.03420	2.1
81.07050	5.0
83.01326	0.3
83.08632	1.2
85.02901	30.3
87.04482	0.3
91.03951	16.2
91.05470	2.0
93.07041	2.9
95.01322	6.5
95.04944	0.2
95.07983	0.4
95.08601	7.7
97.02885	16.7
97.10144	0.5
99.00815	0.7
99.04454	1.6
101.02362	0.5
103.03954	1.6
103.05408	0.3
105.06384	0.4
105.07024	4.6
106.69589	0.2
107.04931	0.5
107.07859	0.4
107.08588	5.2
109.02237	0.3
109.02862	1.6
109.06528	0.3
109.10157	4.4
111.08037	0.3
113.02368	1.1
115.03942	2.0
117.05421	0.3
117.07017	0.3
119.08572	7.0
121.06440	0.6
121.10139	3.7
123.00771	0.5
123.11701	2.9
127.03909	13.5
129.07013	0.3
131.03386	0.6
131.08585	0.6
133.06493	4.5
133.10132	3.3
135.08025	0.8
135.11696	2.5
137.09564	0.4
137.13248	1.8
139.03885	0.3
141.01820	24.9
142.07742	0.4
143.08562	0.6
145.04951	17.9
145.10098	1.4
147.08051	2.7
147.11684	3.4
149.13228	2.1
151.14787	0.3
155.08565	0.5
157.06461	0.4
157.10072	0.7
159.02878	5.3
159.08018	1.6
159.11708	1.4
161.09596	2.5
161.13240	4.0
163.06009	41.7
163.14812	0.8
164.06381	0.4
169.10069	0.3
171.08055	0.5
171.11694	0.5
173.09644	1.3
173.13266	0.9
175.11179	9.3
175.14786	2.3
177.03963	1.0
177.12752	1.8
177.16335	0.6
179.14357	0.3
179.17961	0.3
183.11650	0.7
185.09564	0.8
185.13187	0.3
187.11131	1.0
187.14844	1.0
189.12727	5.9
189.16364	2.8
191.14297	0.5
191.18010	0.5
195.11665	0.3
197.13307	0.3
199.11076	0.5
199.14688	0.5
201.12747	1.0
201.16391	0.7
203.14313	15.1
203.17990	0.5
204.08649	0.6
204.14720	0.4
205.15839	0.8
209.13377	0.3
211.14774	0.4
213.12807	0.4
213.16400	0.4
215.14317	1.8
215.17911	0.7
217.15872	14.7
217.19485	1.1
218.16289	0.3
225.16460	0.4
227.14333	0.5
227.17749	0.6
229.15892	4.5
229.19489	0.7
230.16406	0.3
231.17400	0.5
231.20946	0.4
241.15843	1.8
241.19620	0.3
243.17450	3.8
243.21092	0.3
244.18314	0.3
251.17874	0.3
253.19505	0.6
255.17447	2.9
255.19931	0.3
255.21158	0.3
257.18994	4.3
269.19095	1.9
270.19547	0.3
271.08054	0.3
271.20450	1.7
283.20535	0.8
285.06070	1.8
292.32233	0.2
293.19208	0.2
297.22141	0.5
303.07010	2.1
309.22003	0.3
321.04340	0.4
321.08163	9.1
325.11273	2.8
339.09210	12.4
351.26764	0.3
382.28659	1.0
389.31934	0.4
407.33078	61.1
408.33456	2.3
425.34122	100.0
426.34454	3.7
448.62750	0.2
601.37305	19.6
602.37274	1.2
763.42542	24.6
764.43164	1.2
925.47931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.5766
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	1.2
81.03424	2.3
81.06581	0.3
81.07061	4.9
81.74418	0.2
83.01343	0.8
83.04984	0.3
83.08624	0.6
85.02911	58.5
86.03207	0.2
86.39279	0.2
87.04469	0.8
91.03961	38.6
91.05466	1.3
93.07047	2.6
95.01337	13.7
95.04970	0.3
95.08613	8.0
97.02899	35.6
97.10178	0.6
98.03249	0.2
99.00844	1.4
99.04453	3.2
101.02415	1.1
103.03952	3.6
105.07027	3.1
107.08603	4.9
109.02898	2.3
109.06535	0.2
109.10167	4.5
111.11759	0.2
112.91683	0.2
113.02370	1.9
115.03944	2.8
117.05495	0.9
117.07007	0.4
119.08591	4.0
121.06510	0.3
121.10152	3.6
123.00800	1.0
123.08076	0.3
123.11722	2.7
127.03926	30.8
129.06990	0.2
131.03400	1.1
131.08588	1.7
133.10143	3.1
135.08066	0.6
135.11711	3.3
135.23950	0.2
137.02365	0.2
137.09642	0.7
137.13272	2.7
139.03899	0.8
141.01839	59.8
142.02209	0.3
143.08562	0.6
145.04970	43.6
145.10133	2.4
146.05345	0.3
147.08049	0.2
147.11717	2.4
149.09584	0.3
149.13284	4.2
151.14790	0.3
153.12738	0.2
157.10143	0.7
159.02904	14.3
159.08037	0.3
159.11725	2.0
161.09633	0.3
161.13286	2.0
163.06024	100.0
163.14810	1.9
164.06375	0.6
168.06551	0.3
169.10101	0.4
171.11687	0.6
173.13260	1.8
175.14848	1.7
177.03949	2.8
177.12866	0.3
177.16391	1.3
179.14395	0.4
181.07153	0.3
183.11713	0.7
185.13290	0.8
187.14833	2.7
189.12718	0.5
189.16408	2.2
191.14401	0.3
191.17950	1.8
197.13300	0.4
198.13942	0.3
199.14803	0.7
200.05516	0.5
201.03970	0.2
201.16408	3.5
203.14314	3.7
203.17955	2.3
204.08690	1.6
205.15918	1.3
211.14865	0.4
213.16515	0.9
215.17926	1.1
217.15834	0.2
217.19540	0.9
219.17549	0.4
225.16411	0.5
227.17957	0.7
229.07047	0.4
229.16002	0.6
229.19458	1.0
231.05025	0.3
231.17503	0.9
231.21014	1.0
239.18001	0.9
241.19547	1.3
243.17389	0.3
243.21115	0.7
245.19083	0.6
247.08098	0.5
249.06018	0.3
253.19542	2.2
255.05121	0.3
255.21118	1.2
257.19144	0.9
257.22702	0.8
259.20663	0.6
267.21085	0.6
269.22702	0.4
271.20612	1.5
271.24146	0.3
273.22208	0.3
285.06070	4.2
285.22195	0.5
289.09348	0.4
297.21805	0.2
303.07098	5.0
307.24152	0.2
321.08194	18.7
322.08307	0.3
325.11310	6.5
335.27206	0.3
339.09244	27.6
340.09592	0.4
348.28342	0.3
349.29193	0.3
391.33603	8.8
409.34680	31.0
410.35129	1.1
427.35791	4.0
465.12372	0.2
483.13599	0.6
490.88907	0.2
501.14487	0.4
506.68085	0.2
514.74310	0.2
530.36096	0.2
585.37897	1.0
603.39221	0.9
660.70215	0.2
789.98364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	0.1
81.03415	1.6
83.04981	13.4
85.02902	10.4
87.04469	3.1
91.03950	0.2
91.05479	7.4
95.04971	0.9
97.02892	3.7
99.04470	0.8
101.06020	0.3
103.03986	0.2
105.03392	0.1
105.07014	0.2
107.04966	0.6
109.02886	1.4
111.00800	0.2
111.04440	14.6
113.02422	0.1
113.05321	0.1
113.06001	0.6
115.03929	0.3
117.07022	0.1
119.04940	16.1
120.05293	0.1
121.02872	1.8
123.04399	0.1
125.01444	0.1
125.02351	0.2
127.03918	2.1
128.06218	0.1
129.05478	28.6
130.05847	0.3
131.04938	0.3
133.02814	0.2
133.04948	0.3
133.06479	0.4
135.04333	0.1
137.02383	0.2
137.05972	0.1
141.07011	0.3
145.04955	1.2
145.06441	0.3
147.04408	100.0
148.04750	1.1
149.06013	0.1
151.03883	0.2
153.01808	1.3
153.05397	0.1
153.06900	0.1
157.05280	0.2
157.06450	0.7
159.08031	0.2
163.06029	0.1
165.01843	0.6
165.05507	1.7
165.06845	0.2
169.05037	0.2
169.06467	0.3
171.04330	0.1
171.06569	0.9
171.07922	0.2
173.05919	0.5
173.08119	0.5
173.09476	0.1
175.03929	0.3
175.07465	0.2
177.05496	0.3
183.02951	0.2
183.08047	0.1
185.05949	0.7
187.05992	0.2
187.07524	1.0
189.07579	33.7
190.07887	0.4
197.06102	0.1
199.07553	0.2
201.05479	0.7
201.09117	0.2
203.03394	0.1
203.07045	1.0
207.06442	0.2
213.05505	1.0
215.07033	0.4
221.06560	0.2
223.05946	0.1
227.06998	0.2
228.77200	0.1
229.08568	0.4
231.06520	3.0
231.08798	0.2
237.07442	0.5
241.04895	0.3
243.06589	0.3
255.06386	0.3
255.08682	0.6
257.08224	0.1
258.05240	0.5
259.06140	0.1
261.07605	0.4
273.07428	2.1
273.09653	0.3
275.09103	0.1
280.83276	0.1
287.05496	29.9
288.05814	0.7
291.08621	11.5
299.05380	0.2
309.09677	31.2
310.09961	0.5
315.10641	0.2
319.08212	0.1
329.06537	0.2
333.11508	0.2
335.11179	1.0
351.13031	0.5
351.63513	0.1
419.13315	0.4
431.09183	0.1
471.14807	0.3
479.15366	0.9
497.16461	1.9
498.16263	0.1
571.16730	0.1
595.14130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.5912
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	5.4
81.03424	4.5
81.06582	0.7
81.07063	14.2
83.01359	0.9
83.05011	0.5
83.08625	2.5
85.02910	75.9
86.03237	0.5
87.04462	3.2
91.03963	32.2
91.05485	6.8
93.07057	8.6
95.01334	19.8
95.04972	1.3
95.08613	23.9
96.08956	0.7
97.02898	69.9
97.06499	0.6
97.10177	2.8
98.03251	0.9
98.21409	0.6
98.97597	1.6
99.00796	2.2
99.04467	3.4
101.02379	1.5
103.03943	6.2
105.07039	14.7
107.04948	0.7
107.08606	13.2
109.02898	5.0
109.06528	0.7
109.10162	15.3
110.97566	0.8
111.04469	0.9
111.08096	0.5
111.11723	1.1
113.02378	4.5
115.03940	21.4
117.01974	0.4
117.05512	0.7
117.07007	2.8
119.08589	16.3
121.06525	1.1
121.10149	12.2
123.00780	1.6
123.04456	0.5
123.11721	7.6
127.03928	35.2
128.06248	0.5
129.07008	1.2
131.03407	1.7
131.08578	6.1
133.04973	20.5
133.10150	10.4
135.08087	0.5
135.11707	9.4
137.02415	0.7
137.13269	6.0
139.03928	2.3
141.01839	90.6
142.02162	0.9
142.07776	0.9
143.00172	0.7
143.08580	2.4
144.09441	0.5
145.04970	47.5
145.10130	8.3
146.05273	0.5
147.04425	0.5
147.08020	0.7
147.11705	6.8
149.12173	0.8
149.13268	8.2
151.03909	0.9
153.05560	0.6
155.08557	0.7
156.09305	0.6
157.04970	1.3
157.10144	3.4
158.99687	0.6
159.02907	19.9
159.08057	0.6
159.11705	7.3
161.04399	0.4
161.09578	0.5
161.13274	8.5
163.06024	100.0
163.14835	4.6
164.06421	0.6
165.05597	0.6
169.04950	1.3
169.10213	0.7
170.99670	0.5
171.11728	2.6
172.12154	0.5
173.04506	0.8
173.13300	5.6
175.03960	0.5
175.06076	0.6
175.11279	0.5
175.14830	8.9
177.03949	3.9
177.05336	0.8
177.12762	0.9
177.16380	4.3
179.14322	3.6
181.04906	1.0
183.11679	1.3
185.13252	1.9
187.05992	0.5
187.14832	8.8
189.12711	0.7
189.16397	8.5
190.16805	0.4
191.14325	0.9
191.17969	8.6
193.04959	1.6
193.15866	3.9
197.13307	0.9
198.14012	0.6
199.05994	1.1
199.11394	0.5
199.14845	3.4
201.00768	0.7
201.03960	0.5
201.16386	7.3
203.14392	2.1
203.17972	9.1
204.08650	1.8
205.15883	10.7
205.19534	3.8
207.17403	2.7
210.84839	0.4
211.06085	1.0
211.14841	0.8
213.16394	4.3
215.17981	10.7
217.07063	2.3
217.15950	3.6
217.19511	2.7
219.01782	1.7
219.04987	2.6
219.17470	2.9
219.21063	1.0
221.18982	0.8
223.06094	3.0
225.16393	0.7
227.14372	0.6
227.17976	3.6
229.07251	0.6
229.16011	0.6
229.19551	3.6
231.17509	2.6
231.21098	1.4
233.19020	11.4
235.16888	1.8
237.02942	1.6
241.07019	5.3
241.19431	1.9
243.21135	2.0
245.19028	1.0
245.22731	1.2
247.08055	0.9
247.20593	1.2
253.19563	0.8
255.05035	3.5
255.21039	2.2
257.22617	0.7
259.08163	10.6
261.02850	1.0
261.21933	0.6
265.65253	0.4
267.21078	1.2
269.22638	1.3
271.20483	0.8
271.24335	0.5
273.06049	16.3
273.22119	1.0
277.09201	4.3
279.03915	2.0
281.22714	0.9
283.24191	0.8
285.06158	3.3
285.22073	1.5
291.07144	8.3
295.10266	29.6
295.24176	0.9
303.07104	5.8
309.08154	12.8
321.08194	25.6
322.08676	0.6
325.11331	2.1
339.09244	40.3
340.09698	0.6
365.10535	1.6
377.03995	0.8
379.05432	0.5
393.35312	2.0
395.36700	0.7
405.35327	12.1
406.31131	0.6
411.36252	1.3
417.10342	0.5
423.36301	47.0
424.36688	1.4
425.37714	0.7
439.35587	0.9
440.35965	1.0
441.37326	35.3
442.37375	0.9
453.12326	1.6
471.13449	0.7
562.22961	0.5
599.38800	1.6
617.40027	1.9
689.13873	1.6
699.18445	0.5
719.15228	1.0
730.33057	0.5
731.33740	0.5
749.33093	0.7
956.38507	0.5
1108.48608	1.8
1124.45178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15788	0.3
53.03938	0.6
54.93837	1.0
55.01879	1.4
56.96580	1.9
57.03443	3.3
57.07079	0.5
58.99879	1.1
59.52190	1.1
60.01392	0.7
60.02239	0.5
60.52086	0.8
61.02921	1.0
65.03951	0.4
65.52200	1.2
67.01873	1.2
67.05509	1.5
68.66875	0.3
68.98281	0.7
69.01939	0.8
69.02778	0.4
69.03429	2.2
69.52451	0.9
70.02976	0.4
70.53036	1.2
70.99843	0.6
71.02980	0.8
71.04978	0.5
71.52187	1.0
71.53034	0.5
71.94108	100.0
71.95207	1.9
72.52988	1.0
72.93784	1.8
73.02931	1.0
74.52763	0.5
77.00904	0.5
77.52200	0.6
78.52972	8.3
79.03061	0.8
80.52730	2.3
81.01907	1.6
81.03413	1.0
82.01458	3.9
82.99857	1.0
83.01538	0.4
84.01231	0.6
85.01443	0.5
85.02914	1.3
85.53733	1.3
86.52719	3.0
86.53586	0.4
86.99343	0.6
87.02789	0.6
87.53493	1.3
88.02685	0.9
89.50362	0.5
89.95152	8.4
90.00137	1.1
90.02466	0.6
90.03754	0.4
90.94832	0.7
92.52704	1.8
93.01872	0.5
94.99865	0.4
95.01338	0.6
95.04971	0.9
95.53204	0.4
97.02933	0.4
99.00636	0.6
99.53477	0.5
100.02491	9.7
101.00883	8.1
101.01501	0.7
101.02551	1.0
101.53236	1.5
102.01001	0.5
102.02364	1.7
103.02459	1.7
105.00404	0.6
107.96196	0.5
109.02892	1.1
111.02952	1.2
112.96729	7.0
113.00896	3.2
113.02380	16.7
113.03531	0.6
113.06013	1.3
113.10777	0.6
114.04055	0.6
115.02455	1.4
117.04068	0.4
118.03551	3.6
119.01930	11.8
119.03677	0.5
120.02044	1.6
120.03329	0.5
121.03526	0.8
124.02466	0.6
130.97800	1.7
131.01918	7.8
132.05171	0.4
133.03502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51682	0.3
54.93845	1.0
55.01885	1.1
56.37418	0.3
56.96573	1.5
57.03444	2.2
57.07100	0.4
58.99872	0.8
59.52202	1.1
60.01407	0.6
60.52084	0.3
61.02939	0.9
65.01214	0.3
65.52215	0.7
65.79073	0.3
67.01878	1.1
67.05515	1.6
68.52726	0.4
68.98318	0.4
69.01936	0.9
69.03436	1.3
69.98687	1.5
70.99873	0.9
71.03008	0.5
71.05009	0.6
71.52189	1.2
71.53065	0.4
71.94111	100.0
72.52991	0.5
72.93806	1.2
73.02934	0.6
77.00943	0.7
77.52193	0.5
78.52978	5.2
79.03081	0.8
79.05515	0.4
79.51978	0.3
80.52715	1.8
81.01917	1.0
81.03452	0.7
82.01461	3.7
82.99860	0.5
84.01186	0.3
85.01435	0.4
85.02924	1.1
85.53751	0.9
86.52715	1.5
86.99349	0.5
87.02803	0.4
87.53500	1.0
88.02719	0.4
89.00895	0.6
89.50372	0.3
89.95154	8.2
90.00151	0.8
90.02435	0.9
90.10036	0.3
90.94838	0.7
92.52712	1.5
92.54582	0.3
94.99825	0.3
95.01324	0.6
95.04964	1.0
98.20851	0.3
99.53468	0.4
100.02496	7.3
101.00909	5.3
101.02594	1.2
102.02301	1.0
103.02478	1.4
105.00420	0.4
107.96202	0.7
109.02923	0.7
111.02966	1.0
112.96733	5.8
113.00919	2.4
113.02383	13.2
113.03548	1.0
113.05983	1.6
114.04031	0.3
115.01201	0.3
115.02456	1.3
118.03530	3.5
119.01938	10.5
119.03680	0.5
120.02038	0.7
120.03335	0.5
121.03529	1.0
121.05379	0.3
124.02496	0.6
128.01971	0.4
129.04085	0.3
130.97762	2.1
131.01927	6.5
132.02100	0.6
133.03505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	1.2
81.03426	2.5
81.07063	2.5
83.01338	0.8
83.08611	0.6
85.02908	59.2
86.03239	0.4
87.04473	0.8
91.03958	40.9
91.05462	1.4
93.07056	2.3
93.75552	0.2
95.01335	14.2
95.08612	20.7
96.01575	0.1
97.02896	33.6
97.10173	0.3
98.03234	0.2
99.00819	1.5
99.04457	3.1
101.02399	1.1
103.03944	3.6
105.07030	2.2
106.77959	0.2
107.08598	3.2
109.02890	2.7
109.06535	0.5
109.10158	2.7
111.04435	0.2
113.02370	2.1
115.03938	3.0
115.05556	0.2
117.05522	0.7
117.07026	0.4
119.08584	2.8
121.10149	2.4
123.00784	1.0
123.08084	0.3
123.11706	1.4
125.02386	0.2
127.03924	28.6
128.04231	0.3
131.03392	1.2
131.08578	0.6
133.06506	0.2
133.10129	2.2
135.11705	2.3
137.02367	0.2
137.09662	0.3
137.13249	1.1
139.03935	0.5
141.01834	60.1
142.02196	0.6
143.08591	0.5
145.04967	41.3
145.10121	1.8
146.05231	0.2
147.08067	0.6
147.11707	1.9
149.13272	1.4
151.04013	0.2
151.11160	0.2
151.14803	0.2
153.09163	0.3
155.08644	0.2
157.10152	0.7
159.02904	15.3
159.08096	0.4
159.11707	1.5
161.09633	0.6
161.13263	1.1
163.06023	100.0
164.06351	0.8
168.06592	0.2
169.10135	0.4
171.11697	0.6
173.09676	0.4
173.13220	0.9
175.11209	0.4
175.14786	1.1
177.03960	3.2
177.12758	0.3
177.16461	0.2
180.08676	0.2
181.07076	0.6
183.11717	0.3
185.09569	0.3
185.13255	0.5
187.11227	0.4
187.14833	1.1
187.34514	0.2
189.12784	0.7
189.16393	2.5
190.17210	0.2
191.14336	0.3
191.17958	3.7
193.15924	0.6
197.13304	0.3
199.11069	0.2
199.14906	0.6
201.16389	2.0
203.14346	2.5
203.17992	2.1
204.08716	0.9
205.15897	0.5
205.19612	0.3
209.13245	0.2
211.52432	0.2
213.04095	0.2
213.16386	0.6
215.14409	0.3
215.17975	0.5
217.15880	1.5
217.19487	0.5
219.17508	0.3
225.16501	0.3
227.17998	0.4
229.07140	0.4
229.15988	0.9
229.19450	0.8
231.05017	0.2
233.15460	0.5
237.16228	0.2
239.05411	0.2
239.18098	0.2
241.07039	0.4
241.15727	0.3
241.19551	0.5
243.17459	0.2
243.21083	0.2
245.19006	0.4
247.08186	0.5
249.06007	0.2
251.18059	0.3
253.19484	0.4
255.05064	0.3
255.17485	0.8
255.21117	0.3
257.06525	0.3
257.19012	0.6
265.19650	0.2
267.05081	0.2
267.21060	0.5
269.19037	0.4
269.22504	0.2
271.20529	0.5
283.20511	0.3
285.06042	4.2
289.09161	0.5
297.22153	0.2
303.07123	4.5
311.23688	0.2
313.25235	2.2
321.08182	19.9
322.08261	0.2
325.11304	6.8
339.09229	28.8
340.09549	0.5
357.10129	0.3
379.33551	0.5
389.32077	1.8
407.33115	22.6
408.33539	0.9
425.34167	14.9
426.34390	0.6
483.13379	0.7
496.53131	0.2
501.14563	0.6
634.59241	0.2
749.20709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	2.4
81.03412	2.5
81.07059	7.0
83.01331	0.7
83.04976	0.8
83.08606	1.6
85.02906	54.1
87.04475	0.8
91.03957	39.6
91.05475	4.3
91.97989	0.3
93.07037	4.1
95.01331	15.8
95.04980	0.7
95.08609	9.7
97.02893	30.9
97.10181	0.8
99.00809	1.7
99.04440	2.9
101.02391	1.2
103.03945	2.9
103.05445	0.4
105.07034	7.9
107.04940	0.5
107.08597	7.6
109.02868	2.6
109.06540	0.7
109.10157	6.4
111.08057	0.4
113.02373	2.5
115.03938	2.5
115.05412	0.4
117.05470	0.8
117.06998	0.8
118.48226	0.3
119.04982	0.4
119.08580	9.3
121.06502	1.0
121.10139	6.5
121.11016	0.3
123.00777	1.0
123.04456	0.4
123.08067	0.3
123.11716	5.4
127.03919	27.6
128.04399	0.3
128.06236	0.4
130.07822	0.3
131.03394	1.1
131.08578	2.4
133.06448	0.8
133.10132	7.7
135.08061	5.4
135.11699	4.2
137.02347	0.5
137.05939	0.5
137.09721	0.3
137.13268	2.3
139.03932	1.0
141.01830	58.4
142.02141	0.4
142.07852	0.5
143.08577	1.2
145.04962	39.1
145.10107	2.9
147.08064	3.4
147.11697	4.7
149.09615	1.6
149.13225	1.7
155.08516	0.4
157.10121	1.0
159.02892	13.8
159.08099	1.5
159.11693	2.2
161.09599	1.8
161.13268	6.6
161.14589	0.4
163.06017	100.0
163.14761	0.8
164.06322	0.6
168.06532	0.4
171.08081	0.6
171.11740	1.0
173.09665	0.9
173.13248	2.0
174.14056	0.3
175.11192	0.9
175.14828	3.0
177.03970	2.4
183.11676	0.5
185.09625	1.4
185.13235	1.2
186.10425	0.7
187.11197	1.1
187.14832	1.5
189.12766	1.4
189.16345	3.4
191.17993	2.0
197.13261	0.7
199.11186	1.7
199.14828	0.9
200.05461	0.3
201.12758	6.1
201.16379	1.2
203.14314	9.0
203.17943	1.0
204.08675	1.4
205.15897	0.5
213.12750	1.1
215.14279	1.3
215.18048	0.6
217.16017	3.4
217.19514	9.1
219.13855	1.0
227.14417	0.7
229.19629	0.4
241.15953	0.5
241.19395	0.5
247.08153	0.7
249.05862	0.4
253.15791	0.6
255.17422	0.5
255.21153	0.5
257.19037	0.6
269.19064	0.9
285.06082	3.8
303.07092	5.2
309.25497	0.4
321.08167	21.0
322.08713	0.4
323.23776	0.7
325.11273	5.6
337.25372	3.0
339.09229	31.6
340.09476	0.7
341.24869	0.5
357.34888	0.4
365.32050	2.8
379.33365	0.4
387.02759	0.3
389.31876	0.6
407.33102	32.3
408.33365	1.0
425.34128	19.5
426.34436	0.6
483.13373	0.9
501.14413	0.5
601.37286	3.5
763.43182	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05450	0.1
81.06983	0.2
82.68029	0.1
85.02817	0.2
91.03917	0.1
91.05438	0.1
93.06976	0.1
95.01057	0.1
95.08532	0.4
96.01800	0.1
97.02794	0.2
98.20815	0.1
105.06966	0.1
107.08504	0.2
109.10084	0.1
119.01050	0.6
119.08500	0.2
121.10071	0.1
127.03856	0.1
133.10101	0.1
137.02086	0.6
143.03143	0.5
147.11592	0.1
162.99971	0.1
163.05916	0.1
169.04678	0.2
181.01089	0.3
185.04208	1.7
192.80283	0.1
197.00064	0.1
199.02106	0.3
203.05255	3.0
217.03136	0.2
234.94385	0.1
245.06326	5.9
267.91647	0.1
269.06314	2.8
271.07950	0.1
273.05829	0.6
281.03433	0.1
281.06314	1.3
299.07370	2.9
317.08429	0.1
333.07874	0.2
343.06317	1.6
347.09445	3.3
347.82132	0.1
361.07361	0.8
363.08920	0.3
365.10526	100.0
366.10880	1.5
379.08499	0.6
407.11337	0.1
495.13107	0.1
509.14771	0.2
523.12744	1.2
527.15686	0.7
541.13995	0.2
657.18677	0.6
685.17926	33.0
686.18237	1.0
703.18976	0.3
1023.78668	0.1
1127.52417	77.0
1128.52234	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	113.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91372	0.5
55.01866	1.6
55.05514	4.7
56.96561	2.2
57.03442	3.8
57.07078	0.9
65.03950	1.2
67.01878	4.4
67.05510	18.9
68.05027	1.6
69.03445	2.7
69.07062	1.7
69.48888	4.1
70.02962	4.0
70.03766	0.6
70.06590	1.5
71.05001	7.8
71.94106	13.3
71.94506	0.8
71.95277	2.8
72.93400	1.0
72.93797	17.7
83.04983	1.8
85.02920	1.2
85.06542	2.4
86.06084	1.2
89.00249	1.2
89.50291	1.5
89.95141	0.7
90.00134	4.2
90.94846	7.7
95.01346	3.9
95.02516	0.6
95.04971	7.1
95.06090	0.7
95.08620	9.6
96.00865	2.7
96.04523	0.6
96.08145	0.9
98.00765	0.9
98.21566	1.2
98.50851	1.3
99.00661	2.3
106.25240	0.5
108.95882	1.4
110.01677	0.6
112.96739	1.3
113.02378	100.0
113.03506	7.0
113.06024	9.8
113.06848	0.6
113.07211	1.2
113.07979	2.1
113.09647	8.5
113.10811	1.0
113.96397	2.0
114.05541	2.3
114.09166	5.0
119.95740	0.7
131.97443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1134.57
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	1.2
81.03414	17.0
81.07057	3.7
82.26369	0.3
83.01333	0.7
83.04987	0.4
83.08617	0.5
84.53815	0.3
85.02900	29.9
87.04459	1.4
87.89165	0.3
91.03954	1.0
91.05459	2.0
93.07049	2.6
95.01321	8.1
95.04954	0.7
95.08604	22.7
96.91792	0.3
97.02888	79.7
97.10178	0.4
98.03175	0.4
98.21563	0.4
99.00806	1.2
99.04449	6.4
101.02386	1.0
103.03938	1.7
105.07037	2.7
107.08593	3.5
109.02873	9.6
109.03593	0.6
109.06535	0.6
109.10136	3.4
111.04407	0.4
112.83736	0.3
113.02380	1.7
115.03926	8.2
117.06989	0.5
119.08578	3.3
121.02763	0.4
121.10138	2.6
123.11694	1.5
127.03912	35.7
129.06998	0.4
131.03366	0.7
131.08572	1.0
131.09532	0.3
133.04959	10.6
133.10129	2.4
135.11697	2.3
137.09633	0.6
137.13219	1.4
139.03900	0.6
141.01823	29.3
143.08586	0.7
145.04945	9.8
145.10103	1.6
147.08035	0.7
147.11668	1.7
149.09625	0.3
149.13234	1.9
151.14830	0.3
155.03381	0.4
157.04965	1.0
157.10075	0.7
159.02887	6.9
159.04889	0.3
159.08009	0.4
159.11662	2.1
161.09550	0.5
161.13243	1.2
163.06020	3.5
163.14873	0.4
168.79768	0.3
169.04964	0.5
171.11662	0.7
173.04451	0.7
173.13258	1.0
175.05995	1.7
175.11188	0.6
175.14793	1.2
177.03940	1.3
177.16322	0.7
179.14294	0.4
181.04987	0.3
183.11707	0.5
185.09776	0.3
185.13245	1.0
187.06006	100.0
187.14714	1.3
188.06360	0.9
189.12767	0.7
189.16376	2.4
191.17941	4.5
193.04980	0.6
193.15993	0.4
199.06056	0.5
199.14775	1.1
201.16377	1.8
203.14294	2.8
203.17955	1.6
205.07068	86.4
206.07410	1.0
211.05956	0.7
213.16278	0.8
215.14380	0.7
215.17754	0.6
217.07092	1.5
217.15910	2.3
217.19461	0.5
219.05016	2.4
219.17357	0.4
223.06076	1.6
223.08171	0.4
227.17998	0.5
229.03795	0.3
229.06998	0.3
229.15891	0.9
229.19511	0.8
233.15341	0.4
237.03978	0.4
237.16499	0.4
241.07083	0.7
241.15852	0.4
241.19440	0.6
245.19040	0.5
251.18074	0.5
255.04924	1.8
255.17387	0.4
255.21017	0.5
257.18985	0.9
259.08133	2.5
261.06030	0.5
265.51419	0.3
269.19189	0.6
269.22562	0.4
271.20657	0.5
273.06042	8.3
273.44037	0.3
277.09161	0.4
283.08038	1.3
285.05981	1.0
291.07080	4.1
295.10233	3.4
301.09143	1.2
303.07120	1.4
309.08118	6.7
313.25256	2.0
319.10287	2.2
321.08191	3.8
337.11310	1.8
339.09216	1.0
345.08179	1.1
363.09189	9.6
379.33499	0.4
381.10269	3.3
389.32004	1.8
407.33075	25.7
408.33322	1.0
409.34338	0.4
425.34146	18.4
426.34302	0.7
495.13342	1.6
746.10052	0.4
893.05493	0.3
1017.12378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1134.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.4
81.02986	0.6
81.03424	9.4
81.07059	2.6
85.02906	24.1
91.03953	0.6
91.05463	0.9
93.07050	2.8
95.01316	1.1
95.04945	0.9
95.08609	15.8
97.02899	13.4
99.04474	3.9
101.02342	0.6
103.03973	2.8
105.07023	2.4
107.08624	3.1
109.02885	9.6
109.10159	1.9
110.90707	0.5
111.55463	0.5
115.03948	4.1
115.27871	0.5
119.08539	2.9
121.10157	1.8
123.11758	0.9
127.03926	21.4
131.08551	1.2
133.04971	8.5
133.10130	2.2
135.11674	1.6
137.13231	1.3
139.03928	0.9
141.01822	6.6
143.08611	0.8
145.04965	11.4
145.10115	1.2
147.07950	0.6
147.11711	1.4
149.13286	0.7
151.03963	0.6
159.02882	1.5
159.11711	1.0
161.09531	0.9
161.13286	0.8
163.06032	1.5
163.14737	0.9
169.04951	1.5
169.10150	0.5
171.11739	0.6
175.11269	0.6
175.14877	0.8
185.13367	0.6
187.06018	27.1
187.14775	0.7
189.16391	1.4
191.17911	1.5
201.16426	1.0
203.14325	0.9
203.18024	1.1
205.07083	100.0
206.07506	0.7
217.15919	1.3
217.19463	0.6
223.08157	1.0
229.15794	1.0
241.06898	0.6
249.23122	0.5
253.19470	0.6
259.08011	1.1
273.06226	0.6
291.07217	0.9
295.10211	1.7
301.09207	0.9
309.08084	1.5
313.25244	1.8
319.10223	5.0
337.11371	0.8
345.08432	1.0
349.11258	0.8
363.09207	7.1
381.10254	8.1
389.32172	0.9
407.33096	16.2
425.34113	8.0
495.13589	0.6
685.55695	0.6
1092.30457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1136.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05510	1.6
80.10172	0.2
81.03413	2.6
81.07058	5.5
83.01338	0.5
83.08624	1.2
85.02905	55.5
86.03218	0.2
87.04482	0.5
89.36626	0.2
91.03957	37.0
91.05463	2.3
93.07050	4.7
95.01331	12.9
95.04974	0.6
95.08610	10.5
97.02892	31.5
97.06512	0.6
97.10172	1.0
98.03270	0.2
99.00839	1.2
99.04450	2.7
101.02374	1.3
103.03943	3.2
103.05441	0.3
105.07040	4.9
107.04948	0.5
107.08592	7.3
109.02881	2.5
109.06532	0.9
109.10162	12.4
109.10925	0.6
111.08089	0.8
111.11687	0.4
113.02338	1.8
115.03929	2.8
117.05499	0.7
117.07053	0.4
119.08578	6.8
121.06525	1.5
121.09317	0.4
121.10150	6.6
123.00780	0.9
123.08116	0.6
123.11711	3.7
127.03920	29.0
129.06975	0.4
131.03395	1.0
131.08574	1.8
133.10129	4.2
135.08054	1.2
135.11694	7.0
137.02327	0.4
137.09589	0.4
137.13255	2.2
139.03891	0.8
141.01830	56.9
142.02144	0.4
142.07779	0.4
143.08549	1.1
145.04961	41.8
145.10104	2.6
146.05336	0.3
147.07991	1.4
147.11688	2.9
149.09642	1.4
149.13251	4.0
151.11128	0.3
151.14835	0.4
152.58911	0.3
155.08545	0.4
157.10158	2.3
159.02895	13.1
159.08051	0.4
159.11693	2.1
161.09653	1.5
161.13246	2.2
163.06017	100.0
163.14812	2.6
164.06412	0.7
169.10083	0.6
170.10876	0.3
171.11699	1.7
173.09692	0.8
173.13269	1.9
175.11182	1.8
175.14813	3.2
177.03947	2.9
177.12730	0.4
177.16417	1.1
179.14246	0.5
181.07042	0.3
183.11699	0.7
184.12416	0.5
185.09698	0.3
185.13240	1.3
187.11223	0.4
187.14832	4.3
189.12787	2.1
189.16383	4.4
191.14355	1.4
191.17949	24.3
192.18253	0.6
193.15871	0.3
197.13367	0.4
199.14819	1.8
201.12735	0.3
201.16389	3.4
203.14342	5.5
203.17964	5.4
204.08730	1.3
205.15834	1.6
205.19615	1.3
209.13319	0.3
211.14766	0.6
213.16373	2.7
215.14325	0.6
215.17944	1.0
217.15929	3.9
217.19458	1.5
219.17401	1.8
219.21017	0.4
221.15396	0.3
223.20543	0.2
225.16408	0.5
227.17990	0.6
229.07098	0.5
229.15900	0.9
229.19510	0.5
231.05074	0.3
231.17429	3.7
233.15352	0.7
235.16937	3.7
239.17917	0.5
241.06956	0.3
241.19489	0.8
243.17549	0.3
243.21082	0.4
247.08047	0.5
247.16957	0.6
249.18521	4.0
253.19672	0.4
255.21075	0.5
257.19052	0.4
267.21008	0.3
269.19086	0.4
271.20599	0.4
275.20135	0.5
279.21210	0.3
285.06042	4.3
289.09091	0.5
303.07120	4.4
313.25269	0.6
321.08170	20.7
322.08493	0.4
325.11273	7.1
325.25241	0.3
339.09232	32.3
340.09665	0.6
357.10431	0.3
391.33685	0.5
403.33731	1.2
409.34616	1.4
421.34668	6.2
427.35681	3.1
428.36551	0.3
439.35727	66.0
440.36087	2.2
457.36795	11.0
483.13260	0.6
501.14743	0.6
597.37750	0.5
615.38849	1.2
633.39783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1136.586
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.5
81.03420	2.2
81.07061	5.6
83.01340	0.7
83.08622	0.9
84.60254	0.2
85.02908	54.2
85.86473	0.2
85.93546	0.2
86.03223	0.2
87.04476	0.6
91.03959	36.2
91.05467	2.0
93.07057	3.5
95.01332	13.8
95.04975	0.4
95.08612	9.0
97.02895	33.5
97.10162	0.7
99.00830	1.6
99.04453	3.0
101.02393	1.1
103.03938	3.5
105.07035	3.0
107.04947	0.3
107.08598	4.4
109.02879	2.3
109.06512	0.3
109.10160	4.1
111.11716	0.3
113.02389	2.1
113.23911	0.2
115.03933	2.4
115.05459	0.2
116.06270	0.2
117.05488	0.8
117.07030	0.7
119.08588	2.8
121.06476	0.9
121.09303	0.4
121.10143	4.1
123.00824	0.6
123.08112	0.2
123.11720	2.6
127.03922	27.2
128.04251	0.3
128.06203	0.2
129.06998	0.6
131.03426	1.0
131.08574	2.7
133.05023	0.3
133.10127	2.1
135.08034	0.9
135.11713	2.8
137.02386	0.2
137.09613	0.3
137.13261	3.3
139.03934	0.7
141.01834	58.8
142.02158	0.5
143.08577	1.2
145.04965	39.1
145.10115	2.2
146.05345	0.3
147.08049	0.5
147.11720	1.8
149.09673	0.2
149.13255	2.6
151.11220	0.2
151.14880	0.4
154.42931	0.2
155.08559	0.4
157.10132	1.0
159.02902	14.6
159.11691	0.9
161.13263	2.0
163.06021	100.0
163.14793	1.4
164.06387	0.8
165.09213	0.2
168.06516	0.2
169.10136	0.4
171.11665	0.9
173.09622	0.3
173.13263	2.8
175.11256	0.5
175.14798	1.3
177.03964	2.7
177.12801	0.4
177.16379	1.0
179.14255	0.2
179.17871	0.3
181.07100	0.4
183.11824	0.4
184.12466	0.3
185.13271	0.3
187.06129	0.3
187.14819	3.7
189.12758	2.0
189.16403	1.5
191.14354	1.6
191.15739	0.2
191.16306	0.2
191.17941	2.1
199.14835	1.2
200.05562	0.4
201.12752	0.2
201.16347	1.6
203.14378	1.0
203.17967	2.1
204.08670	1.2
205.15913	1.1
205.19557	2.2
211.05966	0.3
211.14870	0.2
213.16396	2.2
215.14328	0.4
215.17992	0.6
217.15916	0.6
217.19485	0.5
219.21045	0.3
221.15448	0.2
223.14857	0.3
225.16426	0.3
227.18002	1.0
229.07106	0.4
229.15868	0.5
229.19548	0.6
231.04979	0.3
231.17509	1.2
231.21104	0.5
233.15405	0.8
235.17119	0.2
239.18037	0.4
241.07187	0.3
241.15752	0.2
241.19589	1.0
243.17535	0.6
247.08098	0.7
247.16971	0.7
249.06100	0.2
253.19522	0.2
255.05132	0.3
255.21016	0.6
257.19025	0.3
265.19424	0.2
267.21094	0.3
269.19080	0.3
271.20657	0.3
283.20523	0.4
285.06070	4.2
289.09097	0.3
303.07129	4.9
307.10287	0.3
311.23630	0.2
321.08173	20.5
322.08600	0.3
325.07407	0.3
325.11322	6.4
339.09235	33.1
340.09555	0.7
357.10229	0.3
379.29871	0.4
393.35175	3.4
395.33099	8.2
396.33463	0.3
397.34811	0.3
403.33533	0.8
411.36136	0.9
421.34680	6.6
422.35104	0.3
439.35742	12.9
440.36093	0.3
465.12485	0.3
483.13428	0.7
501.14429	0.6
615.38855	0.6
803.81458	0.2
1142.69690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01862	0.4
79.05482	1.9
79.64322	0.5
81.03412	0.6
81.07058	3.1
83.04992	1.5
83.08620	2.1
85.02906	1.9
85.10194	2.3
89.03942	0.5
91.05489	2.1
93.03417	1.8
93.07044	1.8
95.04984	1.7
95.08625	4.9
97.02898	2.6
97.10182	1.0
103.05475	1.2
105.03411	0.4
105.07026	1.0
107.04941	2.3
107.08600	0.7
109.02890	1.2
109.10162	2.2
111.04446	6.6
113.69571	0.5
115.05458	1.8
117.07011	0.7
121.02874	1.2
121.06505	1.6
121.10109	0.8
123.04425	4.6
125.09609	0.7
127.03975	0.9
129.07025	0.9
131.04944	1.3
133.06525	0.7
135.04428	4.6
137.05966	1.0
139.03914	100.0
140.04222	0.6
141.05437	0.6
141.06976	0.9
145.06479	1.4
147.04388	1.7
149.05997	3.8
151.03920	14.1
152.06239	0.5
153.05511	1.2
153.06981	1.4
157.06508	1.3
159.04477	1.3
161.06006	6.1
163.03923	36.9
163.07567	1.0
164.04242	0.7
165.05470	1.8
165.06961	0.7
167.08569	0.8
169.06500	1.2
171.08061	1.1
173.05997	12.8
175.03928	2.2
175.07552	1.7
176.04733	1.2
177.05478	10.2
179.03423	1.7
181.04980	10.2
181.06519	1.9
181.86549	0.5
183.08034	0.6
185.06006	1.5
187.03932	3.9
187.07552	9.8
189.05524	3.1
189.09044	0.6
191.03551	0.5
191.07031	1.1
193.05000	1.9
193.06577	0.9
195.08076	1.3
197.05991	2.0
199.07558	5.5
200.04811	0.5
201.05473	5.1
201.09145	2.6
203.03365	0.6
203.06981	0.8
205.04993	23.9
206.05351	0.5
207.08162	1.0
209.06024	0.4
210.06871	0.7
211.07574	3.3
213.05544	2.2
213.09102	3.5
215.07048	1.8
217.04991	3.7
219.06514	0.9
223.07605	1.2
225.09137	1.6
226.06247	1.0
227.07097	1.6
227.10570	0.6
229.04973	5.0
229.08653	0.6
235.06029	4.5
237.09164	1.0
239.07150	0.7
239.23683	0.5
243.06589	0.9
246.75789	0.4
247.05986	6.4
247.08093	0.6
249.12741	0.5
253.05072	0.6
255.06615	0.7
257.24619	0.5
259.06079	0.9
265.06964	2.1
267.13718	0.7
269.15460	1.6
271.06061	1.4
279.13889	1.0
281.15250	0.8
283.05191	0.7
283.08203	13.5
287.16434	1.3
293.15463	0.7
295.05807	2.1
295.13300	0.5
297.14911	1.8
299.16489	0.7
301.09222	21.6
307.13403	0.7
308.06946	1.7
309.07538	1.2
311.16537	1.4
311.25870	1.5
313.07111	1.8
313.14380	1.0
313.27390	26.5
314.27625	1.0
315.15921	8.0
321.07516	0.8
321.14810	0.9
323.08984	0.5
325.09451	0.9
325.14502	1.3
327.15933	4.8
333.07715	0.6
335.09152	1.2
339.15991	5.3
341.17661	0.9
343.10455	0.6
349.09503	0.7
353.17236	0.5
357.17117	0.5
357.95044	0.5
359.18546	1.5
371.18961	0.9
373.19922	0.9
389.19669	5.0
395.18582	0.9
399.17932	0.5
401.19540	2.0
409.11462	0.7
413.19601	2.4
421.16608	4.8
427.12491	1.3
429.16931	0.8
447.18033	7.0
463.14325	1.6
465.19168	5.9
471.17984	1.5
489.18961	1.3
495.19708	1.6
503.20755	1.1
513.19293	1.2
521.21613	2.1
531.20178	1.0
539.22784	3.6
555.19855	0.5
557.23590	0.6
563.23364	1.0
583.22253	0.8
585.21979	0.6
597.41510	1.9
599.42896	0.9
609.41229	0.5
613.41034	0.8
627.42590	7.9
629.23938	0.6
639.42657	4.2
645.43762	1.3
651.42426	2.5
655.42035	2.3
657.43536	1.4
665.22119	1.5
669.43842	2.4
683.26282	0.5
733.41864	0.7
751.43634	1.1
759.44489	0.9
777.45813	6.4
795.46625	4.4
801.45544	1.4
819.45892	0.6
843.46448	1.0
861.47345	0.7
873.48389	0.7
903.49316	0.5
921.49597	0.6
930.91278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.586
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01840	0.4
79.05499	3.0
81.03423	0.9
81.07064	4.8
83.04986	1.6
83.08623	2.2
85.02921	2.5
85.10207	2.4
89.03931	0.5
89.06031	0.5
91.05489	2.2
93.03419	2.0
93.07068	1.6
95.04997	1.7
95.08609	4.5
97.02905	2.4
97.10177	1.4
103.05499	1.1
105.07014	1.1
107.04968	2.2
107.08608	0.7
109.02899	0.8
109.06514	0.4
109.10175	2.4
111.04453	6.9
115.05503	1.5
117.07017	1.2
121.02885	2.0
121.06516	1.4
121.10138	0.4
123.04439	6.2
123.11722	0.8
127.03928	1.3
129.07013	1.2
131.04919	2.2
133.06549	0.5
135.04419	6.2
137.06000	1.0
139.03915	100.0
140.04288	0.6
141.05499	0.7
141.07016	1.3
143.04980	0.4
143.08543	0.4
145.06491	1.3
145.10139	0.3
147.04407	2.3
149.05988	5.4
151.03914	15.7
152.06187	0.4
153.05499	1.3
153.06987	1.3
155.04933	0.5
155.06123	0.4
155.08560	0.8
157.06525	1.6
159.04427	1.2
161.06001	7.6
163.03922	50.5
163.07587	1.0
164.04245	0.4
165.05464	1.4
165.07004	1.2
166.07782	0.4
167.08597	0.9
169.06496	1.4
171.04422	0.4
171.08084	0.6
173.06001	16.9
174.06506	0.3
175.03918	2.8
175.07564	1.9
176.04707	0.8
176.95514	0.3
177.05492	11.3
179.03490	1.9
179.08638	0.7
181.04971	11.0
181.06508	2.2
181.10153	0.4
183.08047	0.9
184.05234	0.3
185.06000	1.9
187.03946	5.6
187.07547	9.0
187.09180	0.6
189.05531	4.4
189.09192	0.6
191.03380	0.6
191.07062	1.5
191.08614	0.6
193.05009	1.4
193.06470	0.7
195.08073	1.6
195.11816	0.4
197.05934	2.5
197.09688	0.4
197.56544	0.3
198.06836	0.7
199.07559	6.7
200.04735	0.8
201.05502	5.1
201.09152	3.6
203.03441	0.6
203.07072	1.0
205.04977	28.2
207.08081	0.9
209.06015	0.8
209.09624	0.7
210.06717	0.4
211.07584	4.5
212.08362	0.4
213.05626	1.7
213.09109	3.8
214.06293	0.6
215.03253	0.4
215.07039	2.1
215.10721	0.3
217.04980	4.0
218.07254	0.3
219.06544	1.1
223.07590	1.5
224.08238	0.4
225.05475	0.4
225.09161	2.2
226.06270	0.8
227.06992	2.2
227.10628	0.6
229.04980	7.8
229.08488	0.7
231.06432	0.4
235.05939	4.4
237.09154	1.6
237.12465	0.3
239.07080	0.9
239.10541	0.5
239.23743	1.0
243.06508	0.7
245.04237	0.3
247.05991	6.7
249.09290	0.5
249.12790	0.8
251.07053	0.8
251.10603	0.4
251.14290	0.6
253.04950	0.8
253.08665	0.5
253.12357	0.6
255.06422	0.6
257.24698	0.4
259.06100	0.9
261.12653	0.5
265.07004	4.0
267.06360	0.4
267.13776	1.3
269.15353	1.5
271.06015	2.2
279.13824	0.8
281.15552	0.6
283.08215	13.7
283.12909	0.6
284.08691	0.5
285.14856	1.3
287.16422	1.4
289.06992	0.8
289.14063	0.4
291.13815	0.5
293.15466	0.6
295.05798	2.2
295.13300	0.5
297.07568	0.7
297.14920	2.1
299.16364	1.4
301.09204	25.1
303.06445	0.7
305.07916	0.4
307.08240	1.9
308.06836	0.7
309.07553	1.1
309.14923	1.3
311.16434	0.9
311.25821	1.3
313.07089	1.4
313.14386	0.9
313.27393	31.7
314.27924	0.8
315.15909	6.8
317.07925	0.9
319.05988	0.6
321.07571	1.3
321.14804	1.0
322.08130	0.4
323.09253	0.3
323.16602	0.4
325.09442	1.7
325.14407	1.0
327.15936	3.6
329.07892	0.4
331.28403	0.4
332.06961	0.3
333.07498	0.4
335.09143	1.3
335.16632	0.4
339.15924	7.0
341.17429	1.2
343.09955	0.4
345.07498	0.4
349.09073	1.2
357.17139	0.6
359.18591	6.2
371.18472	1.2
373.19992	0.9
379.10168	0.7
387.17908	0.6
389.19586	5.1
395.18594	0.9
397.20139	0.5
401.19763	2.4
409.11105	0.6
413.19662	3.5
415.21338	0.7
421.16507	4.0
427.12415	1.4
429.17093	0.5
431.20230	0.5
445.13300	0.7
447.18134	6.9
461.19391	0.3
463.14340	1.6
465.19150	4.8
471.18085	1.3
477.18777	0.5
487.17377	0.5
489.19034	0.6
495.20197	1.0
503.20483	1.0
513.18964	1.3
519.20087	0.4
521.22113	2.0
525.18451	0.4
531.20392	0.8
537.19141	0.4
539.22772	4.1
543.20184	0.7
555.19897	0.8
557.23474	0.5
573.20892	0.8
591.22015	0.5
597.41577	4.4
599.42120	0.5
605.23322	0.8
609.41211	1.0
615.42120	0.8
625.40771	0.8
627.42560	6.6
639.42566	3.7
645.43158	1.4
651.42560	3.8
655.41626	1.3
657.43127	1.4
669.43420	2.8
733.42902	0.8
751.43805	1.3
759.44147	0.8
777.45807	6.1
778.45209	0.5
795.46674	3.6
801.45178	1.0
819.45538	0.5
843.45923	1.2
861.47742	0.8
867.47449	0.6
885.46240	0.4
900.23291	0.4
903.48859	0.6
921.47754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11104	0.7
55.01873	0.9
55.16977	0.8
56.96560	1.8
57.03438	2.2
58.99863	1.5
64.96827	0.8
68.05039	45.9
69.03436	2.7
69.41970	0.8
70.04876	3.0
70.99866	1.7
72.93786	3.6
79.02987	1.0
79.05467	1.2
82.01455	17.3
86.06071	2.6
88.02711	0.9
89.00895	1.3
90.94823	1.0
96.04502	3.8
96.08098	2.0
100.02494	31.1
101.00903	2.3
101.02596	1.7
102.02335	1.5
104.80515	0.9
111.02941	1.9
113.00883	0.8
114.05545	100.0
114.09155	6.4
114.10332	1.8
118.03542	9.7
119.01943	2.7
126.13277	0.8
131.01987	1.4
132.02084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0554
Annotation	DL-Propargylglycine
Peak:m/z	Relative Intensity
50.30280	0.6
56.96560	0.7
57.03429	0.9
58.99874	0.8
59.04980	0.9
68.05033	45.9
69.03420	1.3
69.07098	0.5
69.72975	1.0
69.73385	2.3
70.06575	0.6
70.99839	1.6
72.93792	2.9
78.52975	0.6
82.01446	8.2
84.52916	0.5
86.06071	1.9
86.40653	0.5
87.04478	0.8
89.00918	0.9
90.38084	0.5
90.94814	1.2
96.04491	2.2
96.08132	1.3
100.02491	17.0
101.00888	1.3
102.02302	0.5
114.02721	1.8
114.05536	100.0
114.09167	6.7
114.09939	0.7
114.10316	1.1
115.03939	1.4
118.03513	4.8
119.01928	2.4
131.01878	0.6
132.01978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0759
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
53.00302	0.7
53.03950	1.4
55.01878	7.6
55.05521	6.6
55.17788	0.4
55.31424	0.4
56.96576	0.9
57.03448	9.6
59.05007	7.1
67.05515	6.6
69.03444	3.6
69.07076	100.0
70.06595	1.7
70.07398	0.8
70.76437	0.4
70.76775	1.0
70.80276	0.4
71.04997	1.8
72.93804	0.6
73.02921	0.7
73.06561	18.8
74.93852	0.9
79.05506	15.9
79.05975	1.0
80.05870	0.5
85.49142	0.5
87.00843	0.7
87.04480	7.2
90.96493	0.4
97.02917	0.6
97.06544	58.5
98.06909	0.6
115.03951	6.2
115.05458	0.7
115.07588	8.9
115.09486	2.3
115.40411	0.5
116.36852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5706
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	1.7
81.07057	9.6
83.04978	1.7
83.08620	1.3
84.08994	0.4
85.02905	2.4
90.24812	0.4
91.05479	6.7
93.03410	2.2
93.07050	6.7
95.04965	3.3
95.08614	7.0
96.49051	0.4
97.02906	1.9
97.10179	0.7
103.05478	2.0
105.07049	3.4
107.04958	2.6
107.08583	3.7
109.02865	1.2
109.10159	2.8
111.04441	7.2
115.05462	1.7
115.24608	0.4
117.06998	2.7
119.05029	0.5
119.05950	0.4
119.08574	2.5
121.02874	2.2
121.06503	1.4
121.10130	2.6
123.04427	6.5
123.08081	0.8
123.11674	0.6
125.09638	0.5
127.03901	1.8
127.05463	0.5
128.06273	0.5
129.07018	1.1
129.35631	0.4
131.04933	1.8
131.08580	2.3
133.06482	0.7
133.10146	1.9
135.04413	5.8
135.11696	1.8
137.05991	0.8
139.03906	100.0
140.04250	1.1
141.05457	1.1
141.07025	1.5
143.08569	0.5
145.06505	1.7
145.10143	1.6
147.04436	2.1
147.11728	1.5
149.05983	6.0
151.03914	16.3
151.05135	0.8
153.05470	2.0
153.06998	1.8
155.08597	0.7
157.06506	1.6
157.10202	0.5
159.04439	1.3
159.08096	0.6
159.11714	0.6
161.05984	8.2
161.13243	0.9
163.03909	49.2
163.07495	0.8
164.04236	0.4
165.05510	2.2
165.07054	1.1
166.07993	0.4
167.08603	0.9
169.05231	0.4
169.06517	1.5
171.08092	1.1
173.05986	17.1
173.13217	1.0
175.03897	3.3
175.07564	1.8
176.04709	0.8
176.08095	0.4
177.05472	13.1
179.03427	1.7
179.08492	0.6
181.04993	11.1
181.06502	1.8
183.08073	1.9
185.06013	1.8
186.06781	0.5
187.03926	5.7
187.07541	8.5
189.05470	4.1
189.09053	0.8
191.07045	1.5
193.05002	1.9
193.06548	0.6
195.08069	1.6
195.11740	0.4
197.05991	1.9
197.09656	0.6
198.06688	0.7
199.07524	6.8
200.04724	0.9
201.05511	4.8
201.07312	0.5
201.07640	0.4
201.09100	3.3
203.03424	0.7
203.06987	0.7
205.04968	30.0
207.08136	0.7
209.09593	0.5
210.06807	0.6
211.07584	4.2
212.08241	0.5
213.05486	2.4
213.09116	4.1
215.07005	2.0
217.04967	5.5
219.06436	1.1
219.08266	0.5
221.15373	0.5
223.07574	1.8
225.09042	2.1
227.07170	2.0
227.10716	0.6
229.04971	7.4
229.08633	1.1
231.06427	0.6
233.09740	0.4
235.05969	4.6
237.09172	1.1
239.07071	0.9
239.10596	0.9
241.04947	0.6
243.06448	0.6
243.21056	0.8
247.05949	6.3
248.08243	0.5
249.09116	0.8
249.12709	1.0
251.06956	0.5
251.10666	0.8
251.14328	0.5
253.04863	0.7
253.12114	0.6
259.06052	1.1
259.20673	1.5
261.22131	2.6
263.06818	0.4
265.07004	3.9
267.06403	0.5
267.13855	0.9
269.15375	1.6
271.06015	1.5
279.13809	0.9
281.15335	0.6
283.08212	15.0
284.08591	0.5
285.14877	1.3
287.16479	1.2
289.07062	0.9
289.14355	0.5
293.15399	1.0
295.06122	1.8
295.13287	0.6
297.07639	0.8
297.14932	1.4
299.16562	1.0
301.09183	26.9
303.06589	0.7
307.08157	1.1
307.13400	0.5
308.06796	1.2
309.07758	1.2
309.14838	1.2
311.16333	0.5
313.07101	1.8
313.14301	0.6
315.15939	7.5
317.08090	0.5
319.05875	0.6
321.07593	1.3
321.14676	0.6
323.09033	0.6
323.16470	0.9
325.09280	2.1
325.14362	1.5
327.15793	3.9
331.08054	0.5
332.72580	0.4
333.24261	0.6
335.09067	1.3
335.25784	19.7
336.26147	0.9
337.27280	0.6
339.15939	4.1
341.17538	0.6
343.10162	0.7
345.07465	0.5
347.09152	0.7
349.09201	1.3
357.17203	0.6
359.18631	3.1
363.15997	0.5
367.10153	0.5
371.18750	0.5
379.10284	0.6
387.17880	0.5
389.19733	4.3
399.18063	0.6
399.25366	0.6
401.19547	1.7
409.11386	1.0
413.19489	1.2
421.16373	3.2
427.12262	1.4
429.17490	0.7
431.18814	0.4
447.18024	7.3
459.18301	0.5
463.14630	1.2
465.19189	4.8
471.18121	1.1
485.19757	0.5
489.19446	1.6
503.20563	1.2
513.19208	1.5
519.20483	0.7
521.21881	2.0
531.20050	0.8
539.22852	3.4
545.22479	0.6
555.20758	0.6
557.23633	0.7
558.77667	0.5
563.22974	0.9
573.21014	0.5
587.22626	0.6
591.22266	0.7
619.40411	1.9
621.40948	0.6
631.39514	0.5
637.40277	0.7
647.39264	1.2
649.41119	5.2
655.39856	0.7
661.40857	3.5
667.41888	1.2
673.40875	3.2
677.40533	1.6
679.41852	1.4
691.41754	1.2
755.40503	0.9
773.42865	2.3
781.42584	1.0
797.42883	0.8
799.44287	7.3
800.44281	0.8
817.45142	4.8
823.43848	1.6
841.45087	1.4
865.44989	1.8
883.46527	0.9
907.45801	1.1
925.46802	0.6
943.47607	1.2
961.47754	0.6
1093.13672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1164.5806
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03415	7.8
81.07056	1.5
83.01334	0.6
83.04960	0.1
83.08614	0.2
84.95363	0.1
85.02901	19.6
86.03215	0.1
87.04472	0.4
89.02381	0.1
91.03953	2.8
91.05469	0.8
91.16165	0.1
93.07040	1.6
95.01324	2.0
95.04976	0.3
95.08604	12.1
96.08940	0.1
97.02886	9.3
97.06502	0.1
97.10177	0.2
99.00822	0.5
99.04451	4.3
101.02367	0.4
103.03935	1.9
103.05444	0.1
105.07026	1.5
107.08595	1.9
109.02875	10.1
109.06523	0.3
109.10148	1.5
110.03243	0.1
111.04420	0.1
113.02366	0.4
115.03934	2.3
117.05483	0.2
117.06999	0.2
119.08582	1.8
121.06505	0.2
121.10143	1.5
121.28017	0.1
123.00795	0.1
123.04449	0.2
123.08088	0.2
123.11703	0.8
125.02336	0.1
127.03912	24.7
128.04230	0.2
128.06184	0.1
129.06944	0.1
131.03438	0.1
131.08549	0.7
131.50174	0.1
133.04964	7.4
133.10123	1.3
134.05296	0.1
135.08041	0.2
135.11691	1.1
137.09592	0.2
137.13246	0.7
139.03867	0.3
141.01826	6.0
141.05418	0.1
142.07774	0.1
143.03389	0.1
143.08533	0.4
145.04953	12.5
145.10095	0.9
147.08040	0.3
147.11691	1.1
149.09622	0.1
149.13263	0.6
151.03935	0.2
151.14818	0.1
153.09111	0.2
155.03329	0.1
155.08650	0.2
156.09375	0.1
157.10121	0.4
158.10857	0.1
159.02898	1.2
159.08049	0.3
159.11713	0.9
161.09616	0.3
161.13248	0.8
163.06010	5.2
163.14827	0.3
164.06316	0.1
169.04961	1.2
169.10133	0.3
171.08124	0.1
171.11678	0.3
173.09631	0.2
173.13243	0.5
175.03961	0.1
175.11179	0.3
175.14812	0.6
177.03955	0.2
177.12738	0.2
177.16370	0.3
179.14326	0.1
183.11694	0.2
185.09700	0.1
185.13222	0.4
187.06006	27.7
187.14757	0.7
188.06383	0.3
189.12807	0.5
189.16356	1.2
191.14183	0.1
191.17947	1.5
193.15860	0.2
197.13284	0.2
199.11180	0.1
199.14816	0.4
201.12785	0.1
201.16383	0.8
203.05542	0.2
203.14317	1.1
203.17953	1.0
204.08687	0.1
205.07069	100.0
206.07390	1.2
211.14926	0.2
213.16368	0.2
215.14342	0.2
215.17934	0.3
217.15842	0.8
217.19455	0.2
219.05045	0.2
219.17476	0.1
223.08122	0.7
223.14795	0.1
227.14226	0.1
227.17960	0.3
229.07076	0.2
229.15929	0.4
229.19504	0.4
232.51888	0.1
233.15335	0.2
237.16434	0.3
239.17969	0.2
241.15953	0.2
241.19540	0.3
243.17442	0.2
243.21011	0.1
245.18999	0.2
246.09648	0.1
247.08090	0.2
251.17952	0.2
253.07172	0.1
253.19502	0.3
255.17448	0.4
255.21147	0.2
257.06293	0.1
257.09229	0.1
257.18985	0.4
265.19290	0.1
267.05060	0.2
267.21097	0.2
269.18964	0.3
269.22684	0.1
271.08133	0.1
271.20593	0.2
283.20602	0.1
285.06021	0.6
303.07056	0.5
311.23663	0.2
313.25287	1.3
321.08170	1.4
325.11331	0.6
327.06992	0.2
331.10202	0.1
333.25998	0.1
339.09216	1.8
345.08194	1.6
349.11237	2.5
363.09195	6.8
364.09467	0.2
367.12286	0.5
379.33429	0.2
381.10260	5.7
389.31967	0.8
407.33075	11.5
408.33218	0.4
425.34125	6.2
426.34512	0.2
507.13486	0.4
511.16861	0.2
525.14514	0.4
744.41095	0.1
1116.41858	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	1164.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03420	19.6
81.07068	2.5
83.01342	0.7
83.08603	0.3
85.02908	41.5
86.03223	0.2
87.04474	0.7
91.03960	12.7
91.05470	1.6
93.07056	2.8
95.01335	11.7
95.01958	0.6
95.04999	0.5
95.07985	0.6
95.08611	21.5
97.02895	88.4
97.10172	0.7
98.03227	0.8
99.00829	0.9
99.04458	6.9
101.02394	1.0
103.03935	2.2
105.07041	2.1
107.08594	3.2
109.02886	10.6
109.06550	0.3
109.10154	2.7
111.04469	0.4
113.02373	1.5
115.03941	2.1
117.05465	0.4
117.06992	0.5
119.08584	2.9
121.06570	0.4
121.10139	2.6
123.00783	0.5
123.08123	0.4
123.11729	1.6
127.03923	43.2
128.04199	0.4
131.03433	0.6
131.08565	1.1
133.04990	2.7
133.10143	2.4
135.11716	1.9
137.09529	0.3
137.13292	1.0
139.03905	0.5
141.01836	33.2
143.08560	0.4
145.04965	21.1
145.09097	0.4
145.10107	1.6
147.08038	0.4
147.11699	1.7
149.13274	1.4
153.09116	0.4
157.10144	1.0
158.10983	0.2
159.02895	7.6
159.11684	1.6
161.09616	0.6
161.13240	1.5
163.06024	37.5
163.14830	0.6
168.06638	0.3
169.04958	0.3
171.11710	0.6
173.09625	0.5
173.13274	0.8
175.11160	0.5
175.14833	1.1
177.03932	1.5
177.12695	0.2
177.16379	0.6
185.09630	0.3
185.13304	0.3
187.06023	100.0
187.14894	1.3
188.06363	1.0
189.12692	0.7
189.16367	2.4
191.14316	0.4
191.17976	3.1
197.13185	0.3
199.14842	0.8
201.16399	1.5
203.14323	2.5
203.16031	0.3
203.17937	1.7
204.08723	0.4
205.07086	74.5
206.07469	0.8
213.16289	0.6
215.05539	0.3
215.14333	0.4
215.17972	0.7
217.15924	1.5
219.05017	0.5
219.17549	0.4
227.18007	0.5
229.07204	0.3
229.15868	0.9
229.19545	1.0
233.15475	0.6
237.16374	0.4
241.15727	0.3
241.19463	0.5
245.18976	0.3
247.16937	0.3
251.18037	0.3
253.19615	0.4
255.17523	0.6
255.21021	0.5
257.19070	0.7
269.19034	0.5
271.08176	0.3
271.20547	0.5
285.06100	2.7
303.07095	3.0
311.23441	0.3
313.25284	1.7
321.08197	10.0
325.11346	1.6
339.09222	12.5
345.08102	1.3
349.11389	1.4
363.09213	9.8
379.33762	0.3
381.10269	4.3
389.32184	1.5
407.33115	22.2
408.33383	0.8
425.34183	15.1
426.34164	0.7
507.13089	0.6
525.14661	2.8
687.19482	0.4
1108.01160	0.3
1186.55847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03382	0.1
81.06976	0.2
84.51128	0.0
85.02827	0.2
91.03878	0.0
91.05411	0.1
93.06956	0.2
95.08592	0.5
97.02798	0.2
105.06976	0.1
107.08533	0.1
109.10062	0.1
111.25088	0.1
113.02001	0.1
119.01065	0.5
119.08513	0.1
121.10079	0.0
127.03769	0.1
133.10040	0.1
137.02094	0.4
137.13240	0.1
143.03154	0.5
145.10007	0.1
147.11574	0.1
159.11577	0.1
162.99907	0.1
167.03062	0.1
169.04758	0.2
181.00995	0.2
185.04204	0.5
187.05946	0.1
199.02103	0.3
201.03665	0.1
203.05249	2.6
217.03191	0.2
227.05234	0.7
229.15833	0.1
245.06311	6.1
279.03748	0.1
283.03094	0.1
286.09125	0.1
287.07330	0.3
311.07355	1.7
315.06912	0.5
323.07361	0.8
329.08289	0.1
339.06525	0.1
341.08389	1.8
347.09427	3.0
361.07401	0.2
363.08978	0.2
365.10504	100.0
366.10843	1.5
375.08890	0.2
385.07382	0.8
403.08420	0.3
421.09460	0.4
495.13031	0.2
523.12775	1.0
541.14185	0.1
565.13458	0.1
569.16443	0.1
609.79926	0.1
699.19360	0.7
727.18933	39.1
728.19067	1.2
745.19720	0.2
765.15924	0.1
1169.53369	67.4
1170.53784	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	1176.5964
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04980	1.5
85.02892	1.5
89.03933	0.3
89.64478	0.5
91.05483	4.5
93.03410	1.4
93.07059	4.9
93.10797	0.4
95.04972	1.6
95.08609	4.7
97.02887	1.5
97.06496	0.5
97.10179	0.5
103.05476	1.2
105.03433	0.6
105.04506	0.4
105.07053	2.6
107.04971	0.7
107.08600	2.6
109.02885	0.6
109.06536	0.5
109.10164	2.0
111.04451	7.0
114.42210	0.4
115.05469	1.6
116.11057	0.3
117.07030	1.7
119.04936	0.4
119.08605	1.9
121.02885	1.7
121.04095	0.5
121.06501	0.9
121.10135	2.6
123.04436	5.1
123.08089	0.4
123.11721	0.5
125.00066	0.4
125.09590	0.5
127.03920	1.7
128.06256	0.8
129.07024	1.1
131.04947	1.5
131.08571	1.4
133.06435	0.4
133.10114	1.0
135.04422	3.2
135.11690	0.8
137.05966	1.0
139.03915	100.0
140.04268	1.3
141.05515	1.1
141.07027	1.2
143.08577	0.4
145.06516	1.2
145.10135	0.6
147.04407	1.2
147.11690	0.9
149.06009	2.6
149.13313	0.5
151.03922	8.8
152.06197	0.5
153.05499	1.3
153.06993	0.8
155.04874	0.5
155.08589	1.1
157.06519	1.3
159.04404	0.6
160.05177	0.7
161.05989	5.3
163.03918	36.4
164.04230	0.6
165.05513	1.5
165.07028	0.9
167.08591	0.6
169.06544	1.4
171.08083	0.9
173.06001	12.3
173.13292	0.4
175.03940	1.2
175.07521	1.8
177.05481	6.2
177.06932	0.7
179.03419	1.2
179.07071	0.5
179.08545	0.6
181.04980	5.3
181.06532	1.9
183.08101	1.1
184.07321	0.6
185.06038	1.1
187.03966	2.2
187.07552	6.7
187.14685	0.5
189.05553	2.2
189.09039	0.6
193.04962	1.0
193.06633	0.9
195.08080	1.6
197.05959	2.6
197.09622	0.4
198.06754	0.7
199.07542	5.1
201.05458	3.0
201.09117	2.0
203.07048	0.8
205.04976	14.2
207.08104	0.6
210.06737	0.6
211.07607	3.2
213.05534	1.8
213.09091	2.9
215.07098	1.6
217.04973	2.3
223.07576	1.6
224.08379	0.6
225.09125	1.8
226.06247	0.7
227.07016	1.5
229.04961	2.7
233.13484	0.5
235.05861	2.5
237.05623	0.5
237.09068	1.3
239.07138	0.5
239.10681	0.7
243.21077	0.6
247.05908	3.6
250.10007	0.4
251.06961	0.5
251.14413	0.6
255.06354	0.5
259.20615	0.8
261.22043	2.1
265.07040	1.8
267.13675	0.7
269.15350	0.7
271.06015	0.8
279.13672	0.6
281.15311	0.6
283.05731	0.6
283.08209	9.1
285.14822	0.7
287.16565	0.5
291.13895	0.5
293.07755	0.5
295.05942	2.5
297.07492	0.5
297.14899	1.2
299.16519	0.7
301.09219	18.3
303.06506	0.7
307.08344	0.6
308.06900	0.8
309.07266	0.7
309.14996	0.9
311.16333	0.6
313.07001	0.9
315.15912	5.2
319.06201	0.5
321.07669	1.0
322.08273	0.5
325.14380	0.9
327.15942	3.4
333.07809	0.5
333.24344	1.2
335.09277	1.0
335.25833	14.3
336.26175	0.6
339.16071	2.6
341.17535	1.0
345.16895	0.5
359.18683	2.8
371.18494	0.7
389.19708	2.9
390.19403	0.4
399.25299	0.5
401.19635	1.7
413.19614	1.2
419.20383	0.9
421.16550	2.7
429.17209	0.9
437.19632	0.5
445.13303	0.4
447.18039	5.8
463.14551	0.9
465.19250	4.8
471.17963	0.5
495.20081	0.4
521.21448	1.1
539.22949	2.9
557.23694	0.9
557.37054	0.5
581.35754	0.7
599.37128	0.7
609.23358	0.5
619.39587	1.5
631.39703	0.6
637.40851	1.7
647.39197	0.7
649.40936	4.2
655.21228	0.4
659.40131	0.5
661.40936	3.6
667.42200	1.6
673.40735	1.6
677.40265	1.4
679.42078	2.4
691.42035	2.2
755.41888	0.5
773.42584	2.2
781.42902	1.0
799.44299	7.7
817.45032	6.6
818.46033	0.5
823.44318	1.1
841.45459	0.8
865.44617	1.4
883.46906	0.4
907.47253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1176.5972
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04977	1.5
83.08605	0.5
84.73337	0.4
85.02913	2.0
85.06522	0.5
86.43934	0.4
91.05489	4.3
93.03389	1.3
93.07053	7.1
95.04973	2.1
95.08615	5.5
97.02888	2.1
97.06546	0.9
97.10157	0.6
97.30344	0.4
103.05500	0.9
105.04480	0.6
105.07030	3.0
107.05001	1.0
107.08592	2.8
109.06484	0.6
109.10175	2.6
111.00719	0.5
111.04460	6.6
115.05466	1.7
117.07034	1.9
119.08602	2.2
121.02877	1.4
121.06559	0.8
121.10173	3.0
123.04436	4.3
123.08102	0.5
123.11763	0.8
126.27103	0.4
127.03905	1.3
128.06238	0.7
129.07054	1.1
131.04948	1.2
131.08586	1.4
133.06525	0.5
133.10159	2.7
134.34967	0.5
135.04404	3.1
135.11714	1.8
137.06004	1.0
139.03917	100.0
140.04280	0.6
141.05501	1.0
141.07008	1.1
143.04926	0.7
143.08574	0.6
145.06517	0.9
145.10127	0.9
147.04379	1.1
147.11688	0.9
149.05986	3.3
149.13290	0.7
151.03918	9.3
152.06189	0.7
153.05450	1.0
153.06993	1.1
155.08542	0.6
157.06548	1.1
159.04456	0.7
161.05998	5.1
161.13263	0.6
163.03923	33.6
163.07562	0.8
164.04306	0.7
164.48546	0.4
165.05507	1.0
165.06963	0.8
165.78758	0.4
167.08621	0.5
169.06555	0.9
171.08043	0.7
173.06009	9.9
173.07530	0.5
175.03946	1.1
175.07561	2.0
177.05473	5.5
179.03398	1.3
179.08556	0.6
181.04968	6.2
181.06520	1.5
183.08025	0.9
185.05988	1.2
187.03943	2.5
187.07541	6.7
187.14774	0.5
189.05464	3.2
191.03459	0.9
193.04929	1.1
193.06473	0.6
195.08105	1.4
197.05983	2.0
199.07530	4.3
200.08252	0.5
201.05559	2.6
201.07217	0.6
201.09178	1.8
203.07118	0.9
205.04980	15.6
207.44722	0.5
210.06721	0.9
211.07553	3.0
213.05544	2.0
213.09108	3.0
215.07048	1.6
217.05020	2.0
219.06592	0.7
221.06224	0.6
223.07614	1.3
225.09171	1.3
227.07060	1.0
227.10620	0.9
229.05008	2.6
235.05922	2.5
237.09149	1.0
243.21010	0.6
247.05995	3.9
249.09279	0.6
259.20416	1.0
261.22217	1.8
265.07028	2.5
267.06372	0.5
267.13934	0.6
269.15424	0.6
279.13785	0.8
283.08228	9.5
295.06110	2.5
297.14920	1.0
299.16388	1.1
301.09222	18.8
302.09634	0.6
303.06555	0.7
307.08234	1.1
308.06662	0.8
309.07660	1.2
309.14789	0.7
311.16470	0.7
313.07028	1.7
315.15961	3.9
321.07559	1.2
325.09348	0.7
325.14355	0.8
327.15985	3.2
333.24478	0.7
335.09134	1.2
335.25854	18.2
335.29901	0.9
336.26132	0.8
339.15961	2.8
345.17072	0.6
359.18530	1.3
389.19757	3.0
399.25586	0.7
401.19516	1.3
413.19733	1.3
419.20444	0.9
421.16418	2.6
427.12430	0.5
429.17368	0.6
445.13187	0.6
447.18048	5.2
463.14618	0.7
465.19269	3.6
483.19952	0.6
489.19070	0.7
513.19611	1.0
521.21832	1.8
531.20093	0.6
539.22937	3.5
557.23450	1.0
575.37299	0.5
584.84515	0.6
599.36804	0.7
619.40009	1.2
637.41351	0.6
647.39429	1.2
649.41394	5.4
661.41473	2.9
667.42603	1.3
673.41016	2.8
677.40442	1.2
679.42578	2.5
691.42151	2.9
755.40979	0.8
773.42511	3.1
781.42694	1.4
799.44098	9.2
800.43518	0.9
817.45166	7.5
818.45599	0.9
823.44128	1.5
841.44897	0.7
865.44446	1.4
925.47949	0.7
943.47461	1.2
961.48346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0868
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03950	0.4
55.01883	0.3
55.05519	14.9
56.05038	0.5
57.03439	0.2
57.04561	0.5
57.05832	0.8
58.06607	2.3
59.05014	0.6
59.07392	2.4
59.52186	0.3
64.02223	0.3
67.05507	0.6
68.02650	0.4
68.05049	0.2
69.03440	4.6
69.07078	0.7
69.86391	1.2
70.03748	0.4
70.06608	0.8
71.03000	0.4
72.08165	100.0
73.08507	0.6
74.51834	0.3
76.04023	0.4
76.07672	0.3
78.52967	0.9
82.01456	4.8
82.06590	1.0
83.01533	0.6
83.04979	0.3
83.52360	0.3
84.01246	0.3
84.03032	0.4
84.08162	2.2
84.52954	0.4
85.02914	0.4
85.53757	0.5
86.03563	6.2
86.04044	0.4
87.53474	0.3
90.03808	0.2
91.05499	0.9
91.84052	0.2
92.52829	0.3
93.04298	0.3
94.03240	0.4
94.06577	0.7
94.54275	3.8
95.04387	0.4
95.04976	0.4
97.04507	0.4
100.02499	10.6
100.07636	0.5
101.02588	1.0
102.02266	0.9
102.04041	0.5
103.02459	0.3
103.54795	1.6
106.05058	12.2
106.55148	2.8
107.04897	0.7
111.06845	0.4
112.07622	10.3
112.55273	0.3
113.02434	0.3
113.07924	0.6
115.05577	2.8
115.55682	0.5
117.55875	0.5
118.03545	4.1
118.06133	0.7
118.08675	11.8
119.03645	0.5
120.03221	0.3
123.04094	0.3
124.50729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.05514	1.8
56.05029	1.4
56.96558	2.6
57.03424	1.3
58.99854	1.6
59.52191	2.5
65.03936	2.0
65.52165	1.9
67.05492	1.8
68.02647	1.1
69.03435	28.6
71.02991	2.1
71.20863	1.3
71.21181	1.3
72.08163	2.4
73.02926	2.7
73.08498	6.6
74.06084	3.2
78.52964	4.7
79.05515	1.1
79.52825	2.0
82.01452	13.5
82.86788	1.0
82.99860	1.7
83.01545	2.9
85.53752	2.4
86.52716	1.2
87.53480	5.0
89.09467	1.3
91.04910	2.6
91.05486	54.6
93.53475	3.1
100.02486	33.2
101.00884	24.8
101.02574	5.2
102.02232	3.5
103.02477	1.8
107.05283	3.6
107.53203	2.2
118.03522	16.4
119.01932	100.0
119.04913	2.3
119.06062	4.4
119.08539	9.3
120.02014	2.7
131.01889	1.3
133.03477	2.9
137.01971	2.2
137.02969	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.1
59.52192	3.1
66.44389	2.2
67.05509	3.2
69.03431	74.6
69.73974	2.4
71.02987	10.8
71.52663	4.1
74.52673	3.3
78.52973	15.1
82.01445	52.8
82.99844	5.3
83.01482	3.9
84.52972	6.5
85.01411	4.5
85.53722	3.5
87.53487	10.8
91.05510	5.3
93.53473	11.9
100.02483	100.0
101.00890	45.5
101.02543	13.8
102.02226	3.3
103.02431	7.3
107.05248	5.8
107.53197	8.1
107.55286	2.2
111.32701	2.3
112.07606	2.6
115.02430	5.0
116.53696	3.5
118.03525	30.4
119.01924	98.2
121.03491	2.2
121.52020	2.3
126.04018	4.6
128.43221	2.4
129.03952	3.5
131.01903	3.7
133.03491	8.3
137.02986	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.74255	0.5
53.03949	2.0
63.34050	0.5
65.03939	2.4
67.05542	0.6
69.30373	4.9
77.03922	0.6
78.04728	1.1
79.05508	4.3
91.05485	80.4
92.05791	0.7
93.07041	4.5
95.04980	1.3
103.05477	11.3
104.06243	8.9
105.04540	0.9
109.06540	1.0
115.05461	4.2
117.07024	35.1
119.06088	2.0
119.08585	100.0
120.08910	1.6
124.68092	0.5
138.34041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03948	7.0
55.05523	1.4
71.11097	2.0
77.03941	1.4
79.05499	31.5
79.49969	1.1
81.07060	1.1
91.05487	15.2
93.07055	34.7
95.04965	4.7
103.05470	14.9
105.04494	2.8
105.07036	100.0
106.07877	7.7
107.07306	2.3
116.52135	1.1
119.08589	14.7
120.05649	1.3
121.02895	2.4
121.04019	1.5
121.06555	5.5
121.10147	86.2
122.09669	3.0
123.08096	9.9
133.07602	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02386	1.3
53.03952	10.6
53.75734	1.0
55.01879	2.0
55.05500	4.8
58.63316	1.3
65.03931	4.0
67.05517	2.1
69.27962	5.5
69.28386	6.8
69.34346	1.2
77.03920	3.3
79.05494	42.3
79.96503	1.4
81.07050	2.4
87.93016	1.4
91.05488	23.4
92.73434	1.1
93.07046	61.2
95.04967	6.3
103.05464	14.4
105.04507	4.4
105.07035	100.0
106.07874	6.8
107.07365	2.9
114.42624	1.4
119.08585	16.4
121.02868	9.3
121.03673	1.3
121.03949	1.1
121.06523	6.8
121.10148	96.7
121.21406	1.4
122.09666	4.2
122.10455	1.9
123.08071	9.2
133.07625	10.5
139.56680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
55.01878	1.4
55.05505	2.5
60.38334	1.3
65.03938	2.6
69.64037	8.0
69.64440	2.7
73.71508	1.2
77.03928	2.0
79.05499	41.2
81.07053	2.0
91.05484	22.9
93.07050	52.7
95.04961	6.0
103.05467	13.9
105.04548	2.6
105.07036	100.0
105.47480	1.5
106.07864	6.7
113.44746	1.4
119.08601	13.0
121.02888	3.4
121.06503	4.6
121.10149	89.2
122.09684	3.1
122.10472	1.6
123.08072	10.2
124.06711	1.3
133.07617	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08668	0.8
58.99858	1.1
62.42878	0.7
70.07542	3.2
76.26324	0.7
82.01456	54.9
82.99833	1.2
83.01492	1.1
100.02496	100.0
100.58045	0.7
101.00888	7.3
101.02586	2.5
118.03539	26.3
119.01936	14.2
123.04062	1.4
137.03020	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51590	0.6
53.71740	0.6
55.04588	0.7
57.03428	1.0
58.99865	1.7
67.64849	0.8
69.03416	0.9
69.20604	6.1
71.89098	0.7
73.02895	0.8
82.01450	55.3
82.99848	1.1
85.84185	0.6
85.85488	0.7
90.50655	0.7
98.52712	0.9
100.02490	100.0
101.00889	13.0
101.02587	1.3
102.02412	1.0
107.93341	0.7
113.00902	1.1
118.02685	1.5
118.03527	26.5
119.01933	25.3
123.04075	1.2
123.05596	1.3
131.01935	0.9
137.02908	3.6
142.03531	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01678	0.7
58.99867	0.8
70.68369	1.9
70.68709	1.1
82.01452	57.7
98.20847	1.0
100.02491	100.0
101.00880	9.2
101.02551	1.6
118.03531	25.1
119.01935	17.3
119.03402	0.8
123.04095	1.1
137.02956	2.4
141.05122	1.0
144.62396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.99867	1.9
61.61421	0.8
69.03430	1.9
69.82182	4.4
73.02925	1.2
81.01891	1.5
82.01449	51.6
82.99847	1.0
84.52953	1.0
85.02904	1.2
87.01894	0.9
88.02689	2.3
93.01930	1.0
100.02489	100.0
101.00882	8.0
101.02552	2.4
102.02337	1.3
111.02924	1.9
113.00858	1.2
118.03532	26.1
119.01929	13.9
123.04089	1.7
123.05563	1.0
124.02424	1.1
131.01926	2.7
137.03000	0.9
141.05109	1.3
142.03560	2.3
143.01987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03940	2.6
55.01875	1.4
55.05515	9.7
57.07073	1.0
58.15289	0.6
65.03934	2.6
67.05508	48.7
68.05838	0.7
69.58153	4.8
78.03469	1.1
79.05508	4.6
79.92834	0.7
80.05018	4.9
80.06266	1.5
81.03432	4.8
81.07060	19.0
82.01456	5.6
91.05502	1.8
93.07057	8.1
95.01341	2.1
95.04974	33.0
95.08611	44.2
96.04489	2.7
100.02487	18.3
103.05494	1.0
105.04562	0.9
105.07015	2.9
106.07355	1.1
108.05743	2.8
108.07658	1.2
115.80511	0.7
118.03531	4.7
123.04453	5.0
123.05560	20.7
123.08072	100.0
123.09995	2.7
123.11687	5.9
124.03966	3.9
124.08364	1.3
139.19131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03938	2.6
55.05515	12.2
65.03930	1.8
67.05508	53.7
70.06831	1.6
70.07218	1.9
72.84609	0.8
79.05479	4.8
80.05042	1.9
81.03423	5.7
81.07066	11.1
82.01447	1.4
84.91576	0.8
91.05466	2.5
93.07049	12.9
95.04974	32.6
95.05575	2.0
95.08614	40.9
100.02484	3.2
105.07024	2.0
107.04944	1.3
108.05731	2.9
118.03620	1.1
123.04568	1.3
123.05570	5.8
123.08076	100.0
123.11689	2.5
124.03999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
53.03935	2.8
55.05499	3.2
57.07087	6.4
67.05513	19.0
69.07061	3.2
69.78363	2.6
69.78780	2.6
75.72630	0.8
79.05081	0.9
79.05505	13.6
80.05014	5.4
81.07066	100.0
82.01448	7.9
82.07365	1.3
91.05475	1.0
91.56152	0.8
93.07047	2.6
95.04981	8.8
95.08619	20.3
96.04494	2.7
100.02501	17.0
105.04544	0.8
105.07018	1.3
106.07381	3.0
107.05006	0.8
108.05730	1.5
108.07672	3.6
118.03529	3.7
121.10144	2.2
123.04440	3.1
123.05573	20.8
123.08095	18.4
123.09023	1.4
123.09196	1.1
123.10023	10.5
123.10809	1.9
123.11720	33.6
124.03963	3.3
124.44753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
51.05775	0.7
53.03957	1.6
55.05515	5.4
57.07080	5.3
58.80878	0.7
59.33451	0.6
65.03953	0.9
67.05512	15.8
69.07076	2.9
71.53417	1.1
79.01876	1.6
79.05502	14.2
80.05024	4.9
81.07067	100.0
82.01460	6.1
93.07066	3.2
94.07852	0.9
95.01338	3.7
95.04987	8.7
95.08621	19.6
96.04510	2.7
100.02499	15.2
105.04532	0.6
105.07053	1.5
106.07413	0.8
108.05772	2.0
108.07709	1.6
110.67989	0.8
118.03539	5.9
121.10178	1.1
123.04462	3.8
123.05571	20.8
123.08071	15.8
123.10005	2.1
123.11723	36.4
124.03955	3.3
134.71790	0.7
137.32707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05515	7.9
57.07083	7.2
58.41917	0.8
59.62996	0.8
65.03954	1.2
65.71925	0.8
67.05507	24.7
69.07060	3.0
69.61060	5.8
76.04069	0.9
79.01835	1.1
79.05497	14.5
80.05024	12.1
80.05820	1.3
81.03423	1.3
81.07065	100.0
82.01456	9.4
82.07420	1.1
83.01532	0.8
91.05511	1.0
93.07041	2.9
94.07810	1.4
95.01314	1.0
95.04980	19.1
95.08617	25.5
96.04497	3.9
100.02493	29.3
105.04492	1.0
105.07037	1.4
106.07372	4.7
108.05740	3.5
108.07678	8.5
112.03998	1.4
118.03529	11.7
119.01919	1.5
121.10151	1.7
121.39282	1.0
123.04438	10.0
123.05561	37.3
123.08084	31.4
123.10018	15.8
123.11713	34.6
124.03993	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23275	0.8
53.03933	3.6
55.05518	6.3
57.07079	5.7
57.81165	0.8
65.03941	1.4
67.05507	26.0
69.07051	3.2
69.59251	4.4
78.03465	1.1
79.05069	1.1
79.05492	16.8
80.05022	12.2
80.05788	1.4
81.03434	0.9
81.07057	100.0
82.01442	9.5
91.05449	1.3
93.07041	4.5
93.32770	0.9
94.07829	0.9
95.04967	16.8
95.08605	24.6
96.04484	4.4
100.02483	28.4
105.04533	1.1
105.07023	2.9
106.07372	3.9
108.05740	2.6
108.07672	7.3
118.03518	10.2
119.01917	1.1
121.10158	1.6
123.04433	9.6
123.05550	44.1
123.08070	32.6
123.10015	12.8
123.11706	38.7
124.03945	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27122	0.2
56.96563	0.6
58.99875	0.3
60.00644	0.2
70.21832	0.6
70.99861	0.3
71.02940	0.2
82.01442	1.0
82.99850	6.5
83.01514	2.3
84.01208	0.5
94.37978	0.2
98.20910	0.2
98.97573	0.3
100.02490	1.9
101.00889	49.5
101.02560	4.4
102.00957	0.8
102.02245	0.8
109.02898	0.2
110.01318	0.3
111.00437	0.5
118.03532	0.4
119.01928	100.0
120.01968	1.5
121.02375	0.4
124.02456	0.9
124.03912	1.2
124.07536	0.2
133.03380	0.2
135.37036	0.2
137.02966	17.8
142.03506	6.9
143.03732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25710	0.2
56.45577	0.3
56.96566	0.3
60.14371	0.2
63.40466	0.2
70.74397	0.5
82.01435	1.1
82.99847	6.0
83.01494	2.5
84.01180	0.6
100.02480	2.2
101.00888	53.7
101.02556	5.1
102.00948	0.8
102.02240	1.0
111.00455	0.5
118.03536	0.5
119.01927	100.0
120.02013	1.4
121.02386	0.3
124.02461	1.6
124.03954	0.9
124.07571	0.4
137.02965	16.3
142.03511	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.86370	1.0
55.01857	2.4
55.05513	7.4
57.03429	1.5
66.89252	1.1
67.05499	3.3
68.99801	18.4
69.03432	100.0
69.07076	2.5
70.70197	3.2
70.70560	1.4
79.05489	10.8
81.07064	10.0
82.06567	2.5
83.04985	6.9
83.08578	1.3
84.01180	1.8
91.05498	7.2
97.02895	9.6
97.06548	5.7
102.02245	2.0
105.07027	2.9
107.08598	20.8
108.04476	2.3
109.06518	1.2
125.02365	3.2
125.04324	1.3
125.05979	4.7
125.07130	1.4
125.09634	55.7
130.26875	1.2
144.06963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	DL-Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05043	4.9
57.03431	1.4
60.05650	2.6
60.40346	0.4
61.27910	0.3
62.83793	0.3
69.03434	18.0
69.07079	2.1
70.06596	35.3
70.24145	0.4
71.04993	7.2
71.52511	0.5
71.72024	0.3
73.02920	0.4
82.06586	1.6
82.96156	0.3
84.04510	100.0
84.08147	74.8
85.02903	2.4
85.04845	0.9
85.08490	1.1
88.02712	0.4
94.06586	0.5
97.34236	0.4
98.97588	0.4
100.02480	1.0
101.00852	0.6
102.05544	1.3
107.62994	0.3
111.09908	0.3
112.07611	53.1
112.08710	3.1
112.15590	0.3
119.01902	1.1
128.02330	0.4
130.05009	12.3
130.06572	1.3
130.08656	31.9
130.09753	3.3
130.15913	0.4
131.01968	0.6
142.03500	0.8
145.03426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.37881	0.4
56.96564	1.0
57.03439	0.6
61.95974	0.4
62.27999	0.4
64.00923	0.4
69.07068	3.4
69.96176	0.7
70.56486	0.6
70.56837	0.5
76.30234	0.4
82.01440	0.7
86.09708	100.0
87.10052	1.0
89.00759	0.5
98.01299	0.5
98.97594	0.5
100.02516	0.7
107.01883	0.5
113.44861	0.4
119.01955	0.6
129.69803	0.5
131.96173	0.9
132.10216	1.5
149.97249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03949	2.7
55.01871	3.2
55.05511	3.2
56.88010	0.7
56.96569	1.2
66.04723	1.5
69.57639	2.4
69.58051	2.0
77.03952	1.3
79.05502	15.1
90.04214	0.7
90.04697	3.7
90.11922	0.7
91.05491	18.4
91.27321	0.7
92.59956	0.7
93.07055	3.9
95.04986	2.0
97.02894	1.1
103.05479	9.7
105.03466	0.9
105.07043	100.0
106.06561	2.4
106.07334	1.0
107.04983	1.0
115.05476	7.7
117.07046	4.8
118.04169	12.4
118.07796	6.2
131.04883	0.9
131.08586	4.6
133.06509	93.1
133.10146	79.1
134.06027	6.1
134.06877	1.5
134.10480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02387	0.5
53.03957	2.4
54.30386	0.3
55.01878	3.7
55.05518	2.2
56.96566	0.8
60.37659	0.3
65.03954	0.8
67.05521	0.5
69.03426	0.6
69.43034	2.3
70.06586	0.3
71.05004	0.6
73.02940	0.4
77.03909	0.7
79.05502	15.7
85.02338	0.3
87.04432	0.3
87.29439	0.3
88.02223	0.7
91.05493	14.0
93.07067	3.4
95.04971	2.1
97.02943	0.5
98.50509	0.3
103.05483	9.7
105.07042	100.0
106.07372	1.0
107.08601	1.1
108.37090	0.3
115.05468	6.1
116.06225	0.6
117.07032	3.6
118.04187	0.9
118.07822	4.4
129.07104	0.3
130.35878	0.3
131.04886	0.7
131.08589	5.2
133.06509	53.6
133.10141	79.7
134.07129	3.1
134.10487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01873	3.5
55.05503	2.2
56.96576	0.7
58.22690	0.5
65.03942	1.3
69.03430	0.9
71.43570	1.1
77.03915	0.9
79.05497	17.6
88.02235	0.5
91.05489	15.7
93.07042	3.1
95.04966	2.1
103.05476	10.6
103.06139	0.8
105.04542	1.6
105.07038	100.0
106.07404	1.0
107.08598	1.3
115.05465	7.5
115.19180	0.4
116.06210	0.6
117.07014	4.6
118.07809	6.6
131.04909	0.9
131.08595	6.1
133.06502	58.0
133.10135	95.3
134.06999	0.9
134.10457	1.9
138.65979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	0.6
53.03948	2.6
53.27597	0.3
55.01885	3.4
55.05518	2.3
65.03939	0.7
67.05513	0.6
70.62287	1.0
71.95287	0.3
77.03905	0.9
79.05500	14.6
83.81366	0.3
87.54168	0.3
88.02214	0.4
91.05487	15.6
93.07054	2.5
95.04990	2.3
96.60410	0.4
97.02903	0.4
97.60990	0.4
103.05475	10.2
105.04543	1.1
105.07040	100.0
106.07370	1.1
107.08634	0.6
108.13478	0.4
115.05453	5.5
116.06199	0.5
117.07027	3.0
118.04191	0.9
118.07798	3.9
120.00603	0.4
131.04935	0.9
131.06042	0.3
131.08583	4.5
133.02852	0.5
133.06506	61.5
133.10141	71.8
134.05969	0.4
134.07050	0.9
134.10495	1.0
135.55632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	0.9
55.01868	0.6
55.05502	1.3
58.94162	0.4
64.29779	0.4
71.11427	0.8
79.05495	5.5
83.15691	0.4
91.05491	14.2
92.06296	0.5
93.07069	3.5
95.04961	1.0
102.62650	0.4
103.05502	3.2
104.37847	0.5
105.07039	46.5
106.07342	0.6
107.08591	1.0
115.05461	3.8
116.06275	1.0
117.07033	4.7
118.07824	5.8
129.06963	0.5
131.08571	5.2
133.06508	9.3
133.10141	100.0
134.10455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30267	0.5
53.03945	1.2
55.05522	2.5
67.99326	0.5
69.29924	4.1
79.05503	5.8
91.05489	16.1
93.07041	3.9
94.30437	0.5
95.04946	0.5
103.05474	3.0
105.07039	45.2
107.08606	1.1
115.05463	4.9
116.06252	0.7
117.07029	5.5
118.07827	5.9
131.08591	5.6
133.06529	8.8
133.10143	100.0
134.10452	2.3
150.15112	0.5
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
51.02414	0.5
53.03938	0.8
55.05515	2.3
55.53711	0.4
69.64692	2.8
79.05490	4.6
86.74435	0.4
88.83031	0.5
91.05486	16.8
93.07047	4.8
93.12158	0.4
93.57081	0.5
93.75723	0.4
95.04987	0.6
103.05486	2.7
105.07033	46.4
106.07378	0.8
107.08623	0.7
110.37228	0.4
114.21304	0.5
115.05460	4.5
116.06256	1.1
117.07018	4.5
118.07811	6.0
125.72667	0.4
131.08585	6.6
133.06480	1.9
133.10135	100.0
134.10460	1.6
135.96538	0.4
143.64265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	1.1
55.05503	1.5
67.05522	0.5
69.50196	2.6
69.50607	1.4
79.05488	3.5
91.05485	12.0
93.07050	4.2
103.05489	2.5
105.07032	39.8
107.08576	1.1
115.05469	4.8
116.06262	0.7
117.07017	4.6
118.07800	6.1
120.42094	0.6
121.47932	0.6
129.06982	0.7
131.08580	4.8
133.10133	100.0
134.10419	1.2
141.54372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05515	1.8
64.98421	0.3
65.03950	0.5
67.05500	0.8
70.78275	1.0
71.22543	0.3
79.05499	4.2
90.34124	0.3
91.05495	14.2
93.07064	3.7
95.05022	0.6
102.83974	0.4
103.05479	2.6
105.07046	42.7
106.07366	0.6
107.08591	1.0
115.05479	4.9
116.06248	0.8
117.07037	5.5
118.07810	5.5
120.13638	0.4
129.07092	0.6
131.08588	5.8
133.06543	2.9
133.10149	100.0
134.10455	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01871	1.0
55.05500	2.5
55.74277	0.6
56.96570	1.0
67.21386	0.6
69.03410	1.1
70.81219	0.9
70.81563	1.5
71.04977	1.1
73.02946	0.7
74.93721	0.7
76.09009	0.7
77.03923	1.1
79.05497	7.9
80.78737	0.6
84.60515	0.7
88.02245	1.3
91.05484	18.6
93.07053	5.8
95.04996	1.1
97.02885	0.8
103.05460	6.1
105.07037	76.6
106.07370	1.4
107.08598	1.2
111.86606	0.7
115.05442	5.6
116.06272	0.8
117.07034	4.4
118.04143	1.0
118.07810	6.5
131.08575	9.7
133.02864	0.8
133.06508	31.8
133.10136	100.0
134.06055	1.0
134.07092	1.3
134.10477	2.1
134.66238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20238	3.3
55.01863	6.2
56.96570	3.3
57.03434	50.9
58.99849	6.7
61.02921	4.4
65.52181	5.9
68.98294	5.0
69.03420	11.4
69.52428	3.9
71.53014	6.0
72.52962	11.5
73.02919	13.3
77.00915	4.5
77.52187	25.2
78.52954	16.2
79.02177	8.3
79.51932	4.1
81.03413	5.3
82.01445	30.7
82.99837	9.1
84.52946	6.1
85.01433	3.8
85.53725	11.7
86.52706	100.0
87.02757	16.7
88.02699	20.6
88.03136	3.9
91.05431	4.0
93.01877	10.5
93.53473	5.6
95.53225	35.4
97.01406	5.8
97.03177	3.3
99.53456	11.8
100.02493	47.8
101.00893	59.3
101.53194	5.9
102.01032	6.8
102.02348	12.4
108.53996	5.1
109.02872	5.1
111.02934	15.8
113.00855	10.8
115.02426	11.4
118.03494	8.7
119.01916	56.0
120.02053	5.6
121.01641	5.2
122.53703	8.7
124.02465	26.1
125.02498	4.4
131.01897	27.5
133.03505	5.7
136.02425	6.0
137.02954	3.9
142.03516	83.1
143.01871	16.2
143.03636	10.2
144.03239	6.0
145.03452	7.2
154.03531	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34458	2.3
53.03933	3.1
55.01866	5.4
55.05500	2.3
56.96565	37.6
57.03440	30.7
58.99849	2.6
61.02927	2.9
64.43233	2.3
65.52174	3.0
69.03418	11.1
70.02929	4.8
70.06577	2.6
70.39932	7.7
70.99867	3.7
71.04988	4.0
72.08163	4.3
72.52957	4.0
73.02927	26.6
74.02444	100.0
75.64362	2.9
77.00872	3.5
77.52166	11.3
78.52950	8.5
79.02151	6.4
79.05485	8.6
81.03399	5.3
82.01438	16.1
82.99847	4.1
83.05003	3.1
84.52979	2.4
85.02886	9.1
85.53745	3.6
86.52705	35.2
87.02743	2.7
87.09999	2.3
88.02695	20.0
88.03992	50.0
88.07590	3.0
88.52771	3.4
89.00831	2.2
90.52937	3.9
91.00486	3.3
92.52673	4.8
93.01890	11.4
93.53446	4.5
95.00494	2.5
95.53230	14.9
96.03235	2.8
97.02884	3.5
97.99168	2.9
98.52653	4.0
98.97559	5.5
99.04467	4.2
99.53465	2.9
100.02486	26.1
101.00881	35.2
101.02528	5.4
102.02399	15.4
102.52455	3.7
106.06536	11.2
109.02883	4.4
111.02099	5.1
111.02914	9.4
111.04453	2.5
112.99045	2.5
113.00856	7.7
113.53208	3.4
115.02407	6.6
116.03426	6.9
118.03523	12.9
119.01917	43.1
119.53391	2.5
119.97324	3.8
121.01561	3.3
122.53714	3.8
124.02460	19.2
128.97836	5.9
131.01915	19.1
133.03461	3.6
134.05994	18.3
134.07106	7.2
134.08096	5.6
134.09634	3.7
134.11774	2.8
137.98357	3.9
141.02769	3.0
142.02443	3.6
142.03508	62.0
143.01883	6.0
143.03571	7.9
154.03531	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	134.0602
Annotation	p-Tolyl isocyanate
Peak:m/z	Relative Intensity
52.61943	0.5
53.03938	0.9
55.05507	0.6
56.96568	8.7
65.03941	6.1
67.05509	1.7
69.07069	2.1
69.64464	0.5
70.11320	2.2
70.98118	2.3
77.03981	0.7
78.04708	0.6
79.05493	5.7
85.06539	0.9
91.05487	100.0
92.05799	1.5
93.07051	1.6
95.04951	0.8
97.06540	4.1
97.99199	1.5
98.21449	0.7
105.03412	0.6
105.07024	0.5
106.04183	5.1
106.06564	50.2
106.07339	1.7
107.04971	2.8
107.08617	1.2
109.06531	13.7
116.04989	3.4
119.06074	10.0
124.05206	1.9
134.06030	90.7
134.10500	0.9
135.06361	1.3
135.11687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96154	0.5
53.03939	1.3
54.24359	0.5
55.01878	0.8
56.96566	2.5
65.03941	7.0
67.05494	1.7
69.62442	3.0
74.02451	3.1
78.04716	0.7
79.05497	7.4
88.03981	1.2
88.16246	0.5
91.05485	100.0
92.05027	1.7
92.05824	1.8
92.90042	0.5
93.07057	1.4
95.04979	1.5
98.21466	1.1
101.15191	0.5
105.03405	0.9
105.04520	0.9
105.07028	0.9
106.04205	3.3
106.06564	49.9
107.04935	3.3
107.06934	0.5
107.08568	2.9
109.06519	15.3
112.12530	0.5
115.89759	0.5
116.04983	2.8
119.06071	12.2
119.08625	0.5
124.05226	4.9
134.06029	95.6
134.07135	34.8
134.09610	1.4
134.10507	1.7
135.04439	6.0
135.06412	0.8
135.08067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0714
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
51.02374	0.1
56.96562	0.4
62.14466	0.1
65.03941	0.6
69.18502	0.3
69.18916	1.2
70.70507	0.2
71.41013	0.1
74.02437	0.4
79.05489	0.3
92.05008	5.5
92.90086	0.2
93.05799	0.9
98.20753	0.2
106.06611	0.2
107.04984	0.3
107.06085	1.1
111.02071	0.2
117.11868	0.1
120.08258	0.2
121.02805	0.2
127.15297	0.1
128.97809	0.1
134.07141	100.0
135.04451	0.3
135.05525	0.3
135.07504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03945	8.5
55.01866	19.7
56.96564	7.3
65.03954	7.0
67.05499	11.1
69.03432	16.6
71.11673	6.2
79.05067	4.1
79.05499	61.5
81.07049	2.7
91.05485	100.0
91.93172	2.5
93.07051	21.4
94.40807	3.1
95.04977	9.7
105.07043	35.4
107.04947	13.9
107.08605	86.3
109.06525	10.9
112.01051	6.4
115.05473	29.2
117.07043	26.1
119.03630	3.1
119.06081	10.1
119.08612	5.4
121.01575	8.1
135.04424	18.4
135.05446	5.4
135.06512	5.3
135.08070	74.6
135.09129	4.8
135.11708	15.3
136.02171	44.6
136.03947	4.5
136.06192	47.5
136.07544	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.71355	1.7
53.03942	5.0
55.01847	1.7
55.05514	8.1
65.03931	2.5
66.77916	1.4
67.06775	1.5
69.07038	2.4
71.07108	3.0
79.05493	15.6
81.07037	1.7
85.08141	1.4
91.04906	2.3
91.05478	41.6
93.04549	8.0
93.07048	48.4
94.05293	4.1
95.04942	3.5
95.06065	2.2
100.69519	1.6
105.04523	2.9
105.07031	19.5
107.08597	100.0
108.06898	1.8
108.08916	2.0
109.01103	5.6
109.06506	4.9
114.30368	1.8
119.03592	2.5
119.06080	3.9
119.08585	15.6
120.09345	6.0
133.10068	1.7
134.07146	6.3
135.05548	3.1
135.06573	2.7
135.07933	6.9
135.09093	2.7
135.11697	44.1
136.02167	71.5
136.06186	32.6
136.07657	3.0
136.08699	4.4
136.11102	1.7
144.76457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05506	4.5
57.07062	1.5
61.92322	1.4
64.55670	1.3
65.03945	1.9
65.77292	1.3
69.07056	2.0
69.85234	7.4
72.22520	1.5
79.05496	14.8
80.74201	1.3
91.05494	35.3
93.07056	46.1
95.05013	2.9
100.27056	1.5
105.07043	21.0
107.08606	100.0
109.06532	4.1
117.07035	1.6
119.06053	4.2
119.08598	19.8
120.09365	6.7
133.10118	1.6
135.08054	5.1
135.11713	49.7
151.25446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03953	5.2
55.01886	1.2
55.05527	9.0
56.96571	2.3
57.07077	1.5
57.55248	0.8
58.53074	0.9
65.03938	3.8
67.03697	1.0
67.05500	3.9
69.07058	2.6
70.79199	2.2
79.05072	1.5
79.05503	25.4
81.07061	3.2
91.05492	44.8
93.07058	57.0
95.04964	4.1
105.04537	1.3
105.07050	19.9
106.04203	1.0
107.04974	5.7
107.08609	100.0
108.08950	1.7
109.06537	6.0
115.05444	7.0
117.07014	5.9
118.47042	0.9
119.06048	5.2
119.08604	13.4
120.09377	2.8
133.10124	1.2
135.04419	5.6
135.05377	1.5
135.08089	34.2
135.10854	1.8
135.11707	38.3
136.02174	5.8
136.06187	5.0
136.07573	1.7
137.09703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05517	6.2
55.53574	1.1
57.07076	2.3
57.35206	1.1
67.05526	1.1
69.07070	2.1
69.61443	6.9
79.05502	12.6
81.07063	1.7
83.15849	1.3
91.05481	35.7
93.07046	45.8
95.04961	4.3
105.04520	1.7
105.07041	16.8
106.07810	1.7
107.08595	100.0
109.06520	3.6
117.07077	2.2
119.06088	3.8
119.08580	21.8
120.09397	6.4
131.33232	1.1
133.10167	1.7
135.08133	2.1
135.11694	50.1
136.02164	1.9
136.06154	3.0
140.40268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
50.97897	0.2
55.01870	0.4
56.96558	1.7
57.03437	1.3
58.01307	0.2
58.99860	0.4
60.46375	0.3
61.02923	0.4
67.05499	0.3
69.03429	0.5
70.33499	0.9
70.99863	0.5
71.04989	0.3
77.00900	0.3
78.52975	0.6
79.05475	0.6
80.52728	0.3
81.07048	0.5
82.01448	2.0
82.99851	0.5
83.00754	0.3
83.04996	0.3
84.01190	0.2
85.02900	0.4
91.05489	3.0
92.02505	0.4
94.04074	2.4
94.99826	0.3
95.01328	0.4
98.97605	0.3
100.02491	2.9
101.00897	2.8
101.02566	0.4
103.00694	0.3
103.01378	0.3
103.02459	0.3
107.04962	0.4
109.05118	0.3
109.06495	0.4
110.52670	0.4
113.00889	4.0
114.04053	0.9
115.02423	0.6
116.98624	0.2
117.04071	0.3
118.03534	0.9
118.06519	0.2
119.01932	4.4
119.03559	7.8
119.04935	0.6
120.01997	0.4
121.01624	0.5
122.02211	0.3
122.03714	0.2
124.52398	0.2
131.01918	11.1
132.02087	0.3
132.05087	0.6
134.00499	0.3
136.02194	3.6
136.06197	100.0
137.03030	0.4
137.04601	5.1
137.06529	1.0
142.03528	0.6
143.01915	0.5
144.99870	0.3
149.02966	1.5
154.03488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.13705	0.3
53.03935	0.9
63.39765	0.4
65.03930	1.1
66.04734	2.8
70.78320	0.9
71.99262	0.4
77.03971	0.5
79.05482	2.7
81.07053	1.9
91.05479	3.5
94.04189	27.4
95.04994	0.5
107.04959	0.8
108.12206	0.4
109.06505	0.9
113.39849	0.4
122.03652	46.4
123.04023	0.9
135.04425	0.5
137.05980	100.0
138.06308	1.3
149.79021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03938	1.3
55.01875	0.9
55.70766	0.4
65.03928	1.0
66.04722	2.1
67.05503	1.5
69.03424	1.3
70.80323	0.4
70.86739	0.9
70.87055	0.6
77.03915	0.6
78.15061	0.4
79.05508	5.3
81.03419	0.8
81.07069	6.4
85.10316	0.5
89.51472	0.4
91.05496	7.0
93.07014	0.9
94.04202	25.5
95.04961	1.3
95.08630	1.6
100.10065	0.5
107.04981	1.8
109.06542	4.1
109.10150	0.7
119.04937	1.0
122.03664	46.1
135.55595	0.4
137.05992	100.0
137.09610	1.4
138.06340	1.5
145.93457	0.5
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	4-Propylphenol
Peak:m/z	Relative Intensity
51.68089	0.9
53.03941	2.3
55.01861	2.1
55.05507	2.3
57.07076	1.4
65.03922	3.0
66.04726	2.4
67.05508	27.6
69.03413	4.2
69.07063	2.0
69.67248	5.8
79.05499	12.6
81.03418	2.3
81.07063	34.1
91.05482	20.4
93.07044	6.2
94.04180	11.5
95.04971	4.0
95.07263	1.0
95.08618	16.9
107.04968	13.0
107.08652	1.2
109.06525	17.2
109.10164	32.3
119.04937	4.8
119.08590	7.7
121.06503	7.1
122.03658	17.4
122.07295	57.5
123.06849	1.4
132.25568	1.1
135.08057	2.3
137.02379	7.9
137.03508	2.6
137.05984	57.4
137.09622	100.0
137.13196	1.9
138.05460	1.9
138.09109	1.9
150.66069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05507	2.8
57.07068	2.3
65.03950	2.1
66.04720	1.1
67.05177	1.3
67.05514	22.3
69.03436	1.7
69.07047	1.8
69.48743	3.9
69.49145	1.8
79.05492	5.9
81.07067	21.3
91.04973	1.1
91.05495	13.1
91.71140	0.7
93.07049	3.9
94.04196	13.9
95.04994	2.2
95.08617	22.2
107.04968	12.0
107.08607	1.1
109.06530	4.6
109.10166	29.5
110.10601	0.8
117.06982	1.3
119.04968	1.6
119.08590	10.8
121.06500	7.7
122.03669	26.9
122.07299	67.9
123.04028	0.8
135.08054	2.6
137.02457	1.5
137.05994	61.5
137.09630	100.0
137.13235	2.3
138.10004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03945	1.8
55.01858	0.8
55.05503	2.0
57.07071	1.8
65.03957	0.9
66.04716	1.1
67.05507	21.9
69.03419	1.8
69.07082	1.1
70.97581	1.1
76.35138	0.6
77.03928	0.7
79.05492	4.5
81.03423	1.0
81.06583	1.2
81.07059	15.8
90.46883	0.7
91.05484	11.2
93.07031	3.3
94.04179	6.7
95.04972	2.8
95.08608	20.1
103.05462	1.2
107.04962	11.4
107.08598	1.9
109.06526	3.7
109.10162	29.3
111.22027	0.7
117.06999	1.4
119.04971	1.5
119.08587	12.3
121.06513	7.0
122.03659	10.4
122.07291	69.0
135.08092	3.6
137.02440	1.2
137.05995	26.3
137.09621	100.0
137.13206	3.0
138.10019	1.4
156.72527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.12983	0.5
53.85730	0.6
55.01875	0.9
55.05502	2.0
57.07049	0.9
58.11625	0.7
60.93801	0.7
65.03942	2.1
66.04713	1.3
67.05504	24.2
68.72878	0.6
69.03429	1.8
69.07058	1.2
69.35223	5.5
77.66613	0.6
79.05491	7.8
81.03451	0.7
81.06580	1.3
81.07056	19.5
91.05485	16.1
93.07050	4.5
94.04186	9.9
95.04964	2.8
95.08611	16.9
104.06207	0.7
107.04955	13.1
107.08605	1.3
109.06519	7.8
109.10158	30.5
117.07038	1.0
119.04993	3.0
119.07783	1.2
119.08573	10.8
121.06496	5.4
122.03651	17.5
122.07285	66.9
123.07609	1.0
135.08057	2.7
137.02402	2.3
137.05975	47.2
137.09613	100.0
137.13258	2.6
138.09979	1.5
147.10426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.12983	0.5
53.85730	0.6
55.01875	0.9
55.05502	2.0
57.07049	0.9
58.11625	0.7
60.93801	0.7
65.03942	2.1
66.04713	1.3
67.05504	24.2
68.72878	0.6
69.03429	1.8
69.07058	1.2
69.35223	5.5
77.66613	0.6
79.05491	7.8
81.03451	0.7
81.06580	1.3
81.07056	19.5
91.05485	16.1
93.07050	4.5
94.04186	9.9
95.04964	2.8
95.08611	16.9
104.06207	0.7
107.04955	13.1
107.08605	1.3
109.06519	7.8
109.10158	30.5
117.07038	1.0
119.04993	3.0
119.07783	1.2
119.08573	10.8
121.06496	5.4
122.03651	17.5
122.07285	66.9
123.07609	1.0
135.08057	2.7
137.02402	2.3
137.05975	47.2
137.09613	100.0
137.13258	2.6
138.09979	1.5
147.10426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03939	2.5
55.01860	1.5
55.05503	3.6
57.07084	8.4
65.03925	3.1
66.04728	3.0
67.05513	29.4
69.03426	4.2
69.07074	6.8
71.06309	2.3
73.01144	2.8
79.05496	14.6
81.07063	80.1
91.05492	17.2
93.07061	6.5
94.04193	25.5
95.04996	6.5
95.08615	81.6
96.08953	2.0
107.04964	3.3
107.08580	2.1
109.06522	14.8
109.10163	15.5
119.04927	4.2
119.08589	3.0
122.03666	38.1
122.07294	5.9
127.07590	1.4
136.65694	1.0
137.02467	3.7
137.05988	100.0
137.09616	22.1
137.13258	13.1
138.05507	1.2
138.09138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03946	2.1
55.01844	1.6
55.05504	4.6
57.07082	16.1
64.61286	1.1
65.03934	2.5
66.04712	2.9
67.05182	2.0
67.05510	28.8
69.03418	2.4
69.07059	5.0
70.07058	5.8
79.05496	14.2
81.07059	64.3
82.88351	1.2
84.36484	1.2
91.05481	12.3
93.07043	8.2
94.04191	22.9
95.04992	2.5
95.08610	100.0
96.08949	1.5
107.04952	3.0
109.06541	10.1
109.10164	14.6
111.54835	1.3
119.05029	1.4
121.06516	1.4
122.03659	41.4
122.07279	8.8
137.02477	2.6
137.05983	96.7
137.09616	17.3
137.13255	21.8
138.05475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.40415	1.2
53.03940	4.6
55.01883	9.5
55.05516	6.6
55.33965	1.1
56.57587	1.1
57.06861	1.0
57.07082	10.5
57.39077	1.1
61.02250	1.3
65.03932	3.3
65.30186	0.9
66.04713	1.5
67.05514	34.4
69.03434	4.9
69.07070	6.5
69.52829	8.8
71.08607	1.4
79.05067	1.9
79.05501	21.3
81.03429	3.6
81.07066	100.0
82.07386	1.5
91.04973	1.7
91.05489	18.1
93.07049	7.4
94.04197	16.0
95.04972	9.1
95.08617	90.9
96.08967	1.2
98.21470	2.6
107.04960	4.4
107.08593	1.7
109.06532	18.5
109.10177	17.5
117.45435	1.3
119.04960	3.7
119.08579	4.0
121.06499	1.9
122.03661	25.3
122.07304	12.9
125.57738	1.1
137.02498	6.9
137.03477	2.1
137.05995	70.9
137.09624	34.5
137.13264	17.8
138.05476	1.3
138.09111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03939	1.9
55.01842	1.2
55.05498	3.0
57.07086	4.6
63.94238	0.8
65.03931	3.1
66.04717	2.2
67.05509	22.4
68.99779	1.0
69.03417	2.4
69.07064	4.3
71.54034	1.3
77.71940	0.7
79.05498	11.3
80.13869	0.7
81.07060	48.1
82.07350	1.0
87.96931	0.8
91.05485	15.2
93.07037	5.3
94.04192	29.0
95.04968	3.6
95.08612	54.4
103.05478	0.9
105.04496	1.7
107.04951	7.4
109.06526	9.2
109.10161	19.7
119.04943	2.1
119.08579	4.8
121.06525	2.5
122.03654	40.4
122.07290	34.3
132.64034	0.9
135.08076	1.2
137.02437	2.8
137.05981	100.0
137.09619	51.5
137.10719	1.4
137.13231	12.5
138.06322	1.4
146.41190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02401	0.4
53.03939	1.5
55.01629	0.5
55.01879	5.4
55.05515	2.0
56.96574	6.8
65.03948	8.7
67.01872	3.1
67.05511	4.7
68.99802	7.2
69.03452	2.6
69.68481	1.2
69.68894	1.3
70.60416	0.4
71.01357	1.6
83.04991	5.2
91.95436	0.4
93.03416	8.1
95.04984	2.0
97.02900	2.2
98.21493	0.5
98.97601	3.5
98.98169	0.4
98.98492	0.6
99.00843	0.6
111.04454	20.2
115.15149	0.4
116.98629	2.1
121.02898	1.3
121.06507	0.4
134.99635	0.6
139.03918	100.0
139.11168	0.8
140.04286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
52.27256	0.2
53.00301	0.2
53.03940	0.8
55.01628	0.2
55.01874	3.4
55.05515	2.1
56.96345	0.3
56.96572	3.5
65.03942	4.6
67.01874	1.4
67.05496	1.1
68.99437	0.4
68.99793	5.8
69.03424	1.6
69.70810	0.8
69.71220	0.5
71.01344	0.8
83.04984	4.3
86.54913	0.2
89.98317	0.2
93.03403	3.8
95.04953	0.6
97.02883	2.3
97.06506	0.2
97.99189	0.3
98.20725	0.2
98.97568	1.2
98.98517	0.3
111.04447	20.0
112.04734	0.3
115.03941	0.2
116.98642	0.4
121.02839	0.4
135.86598	0.2
139.03905	100.0
140.04257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.44515	0.2
55.01876	3.3
55.05515	1.7
56.80260	0.2
56.96294	0.2
56.96566	3.8
60.04465	0.2
65.03612	0.3
65.03944	5.1
66.43845	0.2
66.97525	0.2
67.01875	1.2
67.05515	1.0
68.66707	0.2
68.99439	0.3
68.99794	5.0
69.03417	1.3
71.01345	0.8
71.05732	0.4
71.06055	0.2
83.04989	4.3
91.84802	0.2
93.03410	3.8
95.04972	0.4
96.49757	0.2
97.02885	2.0
98.97600	1.0
98.98473	0.5
110.60202	0.2
111.04446	19.1
116.98601	0.4
121.02872	0.4
121.03858	0.2
139.03908	100.0
140.04233	1.6
144.73390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03939	2.4
55.01873	3.4
55.05513	10.5
56.89161	1.9
56.96299	2.8
56.96567	45.6
57.07077	3.6
64.69212	2.0
65.03922	4.0
67.05502	5.6
69.03432	100.0
69.07054	5.1
69.48935	10.1
69.49345	4.5
79.05486	4.8
81.07041	4.6
83.04491	2.6
83.04987	45.8
85.18529	2.2
87.49818	1.8
91.05460	5.1
93.03435	3.7
93.07054	14.8
93.51263	2.5
94.06557	2.2
95.04982	11.1
95.08615	9.6
97.06533	17.0
97.99186	2.7
98.21497	3.6
98.97585	18.0
98.98465	5.2
105.07015	5.6
111.04438	11.2
111.08050	3.5
112.71085	2.1
115.26128	2.0
116.98612	10.8
119.08684	2.1
121.02854	6.4
121.06487	3.1
121.10121	21.3
124.27959	1.9
134.99680	4.2
139.03903	19.4
139.07542	4.0
139.11185	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03941	2.2
55.01867	2.1
55.05499	5.4
56.96301	2.3
56.96569	32.9
57.07066	4.1
59.04993	3.6
65.03941	3.9
66.32415	1.1
67.05500	2.4
69.03432	100.0
69.07049	4.2
70.59261	4.3
78.01917	1.3
79.05484	3.9
81.07063	3.1
83.04980	12.6
91.05501	2.9
93.03401	4.8
93.07041	11.8
95.04971	7.6
95.08613	8.6
97.06532	11.8
97.99215	2.5
98.21442	1.4
98.97585	16.7
98.98470	4.0
99.49875	1.4
105.07034	4.9
111.04459	10.2
111.08064	1.6
116.98633	6.5
121.02871	5.5
121.04005	1.2
121.10158	16.1
134.99622	2.8
139.03926	16.6
139.07594	2.2
139.11186	65.5
146.30620	1.3
155.95796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
57.03437	1.8
67.05508	0.8
67.63961	0.7
68.99782	5.0
85.02908	13.2
95.01333	100.0
95.08578	0.7
96.01716	1.4
97.02938	0.9
97.06545	0.7
98.21542	1.2
99.00813	3.4
107.83130	0.7
113.02407	4.9
123.00796	8.2
141.01842	13.3
141.07002	1.1
141.11197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0183
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
56.94820	0.4
57.03447	2.6
63.64688	0.5
68.99792	6.3
69.88737	2.2
71.01369	1.1
79.13615	0.4
85.02914	11.4
91.06607	0.4
95.01336	100.0
96.01687	1.7
97.02911	1.3
99.00814	4.3
113.02377	5.8
123.00806	9.0
141.01842	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	141.0183
Annotation	cis-4-Carboxymethylenebut-2-en-4-olide
Peak:m/z	Relative Intensity
56.96556	0.8
57.03437	1.8
67.05508	0.8
67.63961	0.7
68.99782	5.0
85.02908	13.2
95.01333	100.0
95.08578	0.7
96.01716	1.4
97.02938	0.9
97.06545	0.7
98.21542	1.2
99.00813	3.4
107.83130	0.7
113.02407	4.9
123.00796	8.2
141.01842	13.3
141.07002	1.1
141.11197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91098	0.6
57.03428	2.0
62.93427	0.6
67.05479	0.5
68.99802	5.5
69.03433	0.8
69.88561	0.7
69.88833	2.7
71.01352	0.7
82.52893	0.6
85.02916	11.5
90.50346	0.6
95.01340	100.0
96.01677	0.7
97.02891	1.6
99.00814	3.9
113.02370	5.0
123.00802	6.7
132.44542	0.7
141.01833	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38127	5.4
69.32336	43.2
70.92176	5.4
82.99854	10.8
98.20699	10.6
101.00886	57.5
119.01923	100.0
124.02460	7.8
129.02928	5.2
137.02974	15.2
137.08200	4.8
142.03535	44.0
143.48943	6.1
160.04581	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30988	3.5
56.96562	8.2
57.03420	4.2
58.99852	4.4
63.75414	3.6
67.45079	4.4
69.03412	10.8
69.77399	18.6
77.21999	3.6
81.04562	4.7
82.01428	4.3
82.99841	6.6
83.00785	7.6
83.48649	3.9
84.08132	11.7
86.74400	4.0
96.08162	8.9
97.02876	10.0
98.97598	6.7
100.02448	11.9
101.00879	53.1
110.80079	3.5
114.09157	5.2
118.03489	4.1
119.01919	100.0
124.02435	5.3
125.02356	12.4
137.02988	18.3
142.03502	33.7
142.08632	13.0
142.12250	6.6
143.03389	39.8
160.04588	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64264	6.4
69.64664	12.0
77.60860	3.4
82.99841	7.1
98.97597	4.7
101.00894	55.5
119.01936	100.0
121.57323	3.3
124.02447	6.4
126.04273	3.2
137.02968	12.5
142.03535	46.1
160.04591	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	143.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01876	6.3
56.94380	1.4
57.03439	17.0
58.99855	2.6
61.02927	11.3
62.50413	1.3
68.02630	3.0
69.03439	11.8
70.99861	10.7
71.53455	1.4
73.02921	20.5
75.01900	2.0
77.00900	2.5
78.52969	8.6
79.02168	5.4
79.51917	3.3
80.52735	2.1
81.01900	8.8
81.03436	6.6
81.04091	2.7
81.04543	39.7
82.01436	13.1
82.99841	9.4
84.52965	12.1
85.02907	9.6
85.51923	1.7
85.53743	3.9
86.03726	3.0
86.52691	5.7
87.01917	2.1
88.02684	12.4
89.00883	3.6
90.02452	1.9
90.52951	6.0
91.51950	2.6
92.52685	4.5
93.01898	17.3
93.02811	1.4
93.51965	2.7
93.53481	6.8
95.06097	20.9
96.02393	1.9
97.02832	8.5
98.52697	8.6
99.02760	2.2
99.04484	2.4
99.53466	11.4
100.02484	31.0
100.52445	3.9
101.00883	73.7
101.02527	2.8
101.53220	4.4
102.00964	3.6
102.02416	21.1
102.52511	3.8
103.02444	1.6
104.52685	10.1
105.02815	1.9
107.53210	3.3
109.02876	5.8
111.02950	11.6
111.53058	1.7
113.00881	6.5
113.53206	16.0
114.75840	1.3
115.02421	5.1
118.03523	10.4
119.01926	100.0
120.02024	5.4
120.03432	2.2
122.53732	14.2
124.02464	13.2
125.02591	1.5
125.07121	23.1
126.03992	1.3
127.03934	3.2
128.01927	1.7
131.01926	13.7
131.54233	8.1
132.04366	1.6
133.03487	1.8
137.02963	9.3
139.02449	1.2
140.54759	3.2
141.02693	3.5
142.03505	29.9
143.01904	19.8
143.03523	6.2
143.08151	17.7
144.02026	2.8
145.03488	3.4
154.03436	8.7
155.01915	3.8
155.03632	1.7
157.03481	4.0
161.02982	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	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05525	9.0
57.07090	9.4
59.05007	1.4
59.78528	1.0
60.95851	2.9
64.07394	1.1
65.37236	1.1
67.05508	5.9
69.03436	12.8
69.07064	3.0
70.06594	1.3
71.01361	1.3
71.05001	64.9
71.53278	1.8
73.06554	7.4
79.05481	3.6
81.07063	2.9
83.05004	5.7
83.08626	6.7
84.08148	2.3
85.02915	2.8
85.06078	1.6
85.06556	23.8
91.05453	1.6
91.42873	1.2
94.22876	1.2
97.02911	24.8
97.06552	1.5
97.10194	9.0
98.06046	3.3
98.56503	1.2
101.00874	1.2
103.54309	1.2
105.07032	1.3
107.08617	22.2
121.00819	1.5
125.01468	2.1
125.02373	37.3
125.09653	14.2
126.12883	1.1
128.06230	4.6
143.03415	100.0
143.08549	3.2
143.10712	4.4
144.06558	1.7
144.08162	1.2
144.13884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0925
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
54.38581	0.7
56.05036	1.6
60.05653	22.4
68.05040	0.9
69.03437	7.3
69.72936	1.8
69.73325	1.9
74.96198	0.6
75.42699	0.7
75.44132	0.6
81.07877	0.6
83.06110	2.8
84.04503	7.7
85.02950	0.7
86.06071	75.1
87.04470	100.0
100.07626	1.4
104.07113	18.2
106.25198	0.6
107.60789	0.6
109.51610	0.6
111.05563	11.4
128.08203	13.5
129.06592	4.1
130.05008	3.1
132.34584	0.7
134.04132	0.9
146.09245	78.4
147.05043	0.7
147.09616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03939	1.9
55.05514	12.3
57.57388	1.3
65.03925	5.1
67.05503	2.2
68.99799	1.4
69.03422	5.0
69.07053	4.2
71.53703	1.3
79.05480	5.6
81.07049	1.8
83.04948	1.5
84.04523	1.8
91.05484	69.6
93.07036	3.6
101.04826	1.5
101.07952	2.0
103.03952	1.9
103.05477	3.9
105.07036	98.6
106.07355	1.7
107.08581	2.8
117.07041	8.8
119.04948	39.7
119.08588	100.0
120.08887	1.8
131.08580	2.2
132.09344	4.3
141.70433	1.6
145.10091	7.2
147.04414	35.8
147.05435	1.3
147.06497	1.6
147.08081	3.2
147.11697	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	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.00347	1.5
51.09785	1.4
53.03945	3.1
55.05514	8.1
59.96710	1.4
61.16483	1.5
65.03939	1.9
69.03432	5.1
69.07082	2.6
69.22041	15.8
69.70407	1.6
79.05502	6.4
81.07024	1.8
84.04492	6.4
91.05489	46.4
93.07035	2.8
96.81642	1.4
98.21555	2.3
101.04856	1.6
103.05461	5.2
105.07040	74.4
107.08601	8.4
115.05453	2.7
117.07037	13.9
119.04966	15.0
119.08590	100.0
120.08971	2.8
123.07280	1.6
129.07022	1.8
130.05020	1.8
131.08554	3.4
132.09338	5.9
145.10112	9.5
147.04440	15.6
147.05478	3.2
147.06606	2.5
147.08073	7.9
147.11702	83.3
152.32915	1.8
166.52715	1.7
168.28076	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.00182	1.4
55.05523	10.6
62.63424	1.4
65.03918	2.3
67.05493	2.7
69.03421	4.5
69.07063	3.1
70.64885	1.3
70.81421	3.5
70.81784	2.7
71.04980	1.7
79.05504	5.8
79.51865	1.5
81.07060	1.4
84.04491	5.6
85.02905	1.8
91.05491	50.3
93.07043	4.2
103.05469	4.4
105.07036	71.9
107.08602	8.7
111.04423	2.0
117.07016	12.9
119.04952	12.8
119.08590	100.0
123.96439	2.5
125.51018	1.5
131.08585	3.7
132.09355	7.7
145.10121	11.3
147.04451	16.7
147.06429	2.1
147.08102	6.2
147.11697	85.1
155.87122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
50.16729	0.3
51.35869	0.3
56.05045	4.0
56.96567	0.8
65.45273	0.3
66.03458	0.3
69.03466	0.4
69.42326	1.8
69.42729	0.9
73.02915	0.4
82.01440	0.8
83.05024	0.6
84.04513	100.0
85.02914	2.6
85.04842	2.0
85.06565	0.5
85.45325	0.4
88.03999	0.5
94.02696	0.5
100.02479	0.9
102.05553	18.9
105.53481	0.7
130.05019	12.9
131.05424	0.9
133.03513	0.5
148.06050	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	148.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11727	0.7
56.05039	4.0
56.05263	0.6
59.05010	0.8
69.46613	3.8
82.01459	1.1
83.04993	2.9
83.13371	0.6
84.04513	100.0
85.02924	2.4
85.04848	2.3
98.20832	1.5
100.02490	2.5
102.05549	21.2
105.53487	2.5
114.53975	3.3
118.03586	1.0
123.54544	1.0
130.05014	13.4
145.03537	0.8
148.06113	2.0
168.05107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.8
55.05500	4.0
56.05025	3.5
56.96556	3.3
57.03444	5.1
57.05362	3.5
57.05632	0.8
58.99866	3.5
59.05009	15.6
60.04521	1.7
61.02930	7.5
61.32392	0.9
62.02459	3.4
65.03944	6.9
65.52184	1.7
66.14316	0.8
67.01868	1.5
67.05508	1.0
68.02644	1.0
68.98275	1.4
68.99815	0.9
69.03439	15.9
69.52452	1.5
70.98423	1.6
70.99839	1.4
71.02998	24.5
71.05004	1.0
71.52213	1.3
71.53049	3.1
72.52978	6.0
73.02928	2.7
77.00922	1.3
77.02979	1.3
77.52192	8.7
78.52970	11.6
79.03023	1.0
80.03519	4.5
80.52705	2.2
81.03427	1.4
81.53490	1.2
82.01453	41.9
82.53746	1.6
82.99837	2.7
83.01518	3.0
83.04992	72.0
83.52166	1.5
84.03751	1.2
84.04518	29.0
84.05312	2.7
84.52954	3.4
85.01412	1.2
85.02158	1.4
85.02914	15.6
85.04234	5.7
85.04840	84.2
85.51904	1.7
85.53747	1.1
86.03237	2.5
86.04929	2.7
86.52711	44.8
86.99329	1.3
87.02791	4.4
87.04470	3.7
87.52571	1.8
87.53470	3.6
88.02671	1.5
90.03754	1.7
90.52897	1.0
91.05493	1.1
91.53741	15.2
92.03849	1.7
92.52695	5.9
93.03416	5.0
93.53483	6.3
94.02127	1.6
94.02682	18.1
94.52760	1.6
95.01321	4.5
95.02550	1.2
95.03465	1.2
95.04934	1.3
95.53228	18.3
96.03304	3.0
96.52942	7.8
97.00137	1.2
97.01385	1.1
97.02941	1.3
97.53782	1.0
98.03516	2.0
99.04446	1.3
99.53440	1.6
100.02494	100.0
100.52419	1.5
100.54241	3.3
101.00892	13.7
101.02551	6.5
102.00953	2.1
102.02262	3.3
102.05556	7.3
103.02436	3.5
103.03193	4.0
103.05294	1.7
103.05896	18.4
103.53266	1.7
105.00414	1.0
105.53474	57.0
106.03547	7.9
106.52412	4.4
106.53320	1.7
108.02384	1.3
109.01382	1.1
110.00897	1.1
110.52672	2.1
111.02946	1.3
111.04475	8.1
112.03757	1.4
112.96713	1.2
113.00853	2.3
113.02398	6.6
114.53996	65.2
115.02444	7.4
115.03196	1.0
115.03332	1.1
115.04093	9.2
115.53864	1.3
117.04214	4.0
118.03535	35.1
119.01936	17.5
119.03614	2.0
119.53191	1.3
120.02025	2.0
120.03224	0.9
121.02869	6.7
121.03649	0.9
121.04046	0.8
121.06519	1.2
122.06083	1.1
123.04079	4.1
123.54513	27.8
124.02440	6.3
124.04627	5.5
126.04026	9.6
126.04826	1.7
126.98743	1.0
127.01765	0.8
127.02454	10.4
127.03992	1.3
128.01910	5.6
129.00354	1.3
130.05008	1.0
131.01921	4.1
131.05382	13.8
131.96130	1.6
132.05438	4.7
133.03481	7.9
134.03537	1.6
135.03239	2.7
135.05135	1.2
136.84312	0.9
137.02983	2.3
138.04012	2.7
141.05069	1.8
142.03510	16.7
143.01909	2.5
143.03627	1.0
144.05060	5.5
144.99829	2.2
145.03481	31.8
146.03673	1.5
147.01398	3.8
147.03226	1.5
149.02342	13.2
149.06242	2.2
150.04034	6.4
150.07727	1.4
152.04755	1.0
153.04135	0.9
154.03503	2.3
154.97673	0.8
156.05093	4.3
160.04648	0.9
161.02931	2.2
163.00867	2.3
163.04549	1.9
168.01442	4.2
168.05086	24.5
168.06516	1.2
169.03471	5.3
169.05087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03939	2.3
55.05514	1.2
58.12053	0.6
62.01801	0.6
65.03946	1.2
69.29801	4.8
79.05503	11.3
81.07045	1.1
91.05488	11.0
93.07053	25.2
93.07639	1.4
95.04993	1.5
98.20806	1.3
101.98061	0.6
103.05466	3.5
105.04581	0.8
105.07046	17.7
106.07848	3.0
107.08598	2.3
116.06255	0.9
119.08593	3.2
121.02908	0.8
121.06522	1.2
121.09328	1.1
121.10165	19.8
123.08088	2.1
131.08606	0.7
133.07625	2.0
149.02350	2.6
149.09634	100.0
150.09993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03929	8.1
55.05501	9.4
65.03927	17.9
67.02974	7.2
67.05497	5.5
69.07056	18.8
70.48115	13.1
79.05491	26.7
80.16646	3.3
81.07054	33.0
81.62024	3.5
91.05481	20.0
93.07040	100.0
95.08594	9.1
99.51277	4.4
105.07027	12.9
107.08596	62.2
109.03982	3.8
121.02848	28.0
121.03937	6.2
121.10148	33.5
122.30875	3.7
149.02351	57.7
149.08252	6.2
149.09631	5.8
149.13257	63.4
168.82448	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03934	4.2
55.01869	2.8
55.05496	4.4
57.07078	2.2
65.03943	29.5
67.05495	1.6
69.03432	2.5
69.07063	5.7
71.21066	2.1
78.04707	1.5
79.05492	19.8
81.07057	6.1
91.05493	30.6
93.03407	8.7
93.07046	42.6
94.07334	1.7
95.04977	5.0
103.05488	15.3
105.04504	1.9
105.07034	42.1
106.04177	4.8
106.07822	2.4
107.04964	4.2
107.08600	36.0
107.09302	2.5
108.04435	1.3
109.06511	3.9
111.04466	3.9
116.06264	3.0
119.08595	10.6
121.02869	40.0
121.03977	12.0
121.06504	14.8
121.10145	100.0
123.08046	4.2
131.04936	12.1
131.08578	4.6
133.07628	4.0
133.10165	2.6
134.10930	2.7
149.02351	97.6
149.05986	9.1
149.09630	82.8
149.13263	19.4
150.05505	2.1
150.09152	1.7
161.66991	1.2
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	Multifidene
Peak:m/z	Relative Intensity
53.03934	2.9
55.05500	4.0
57.07082	2.8
63.43821	1.4
63.86105	1.2
65.03944	21.2
67.05505	1.9
69.07079	7.0
69.27708	2.8
69.28113	11.6
79.05494	13.4
81.07060	3.8
91.05474	17.5
93.03407	5.7
93.07050	25.4
95.04957	2.0
98.21614	1.5
102.62486	1.6
103.05466	5.3
105.07034	30.5
106.07885	1.7
107.08597	41.3
111.04462	5.2
119.06074	2.1
119.08595	6.7
120.09309	2.3
121.02869	28.5
121.03982	7.2
121.06493	5.5
121.10148	100.0
122.10463	2.5
123.08070	2.7
131.04898	3.4
131.08580	4.2
133.07625	2.1
133.10155	2.1
134.10947	2.9
137.36082	1.6
149.02353	74.1
149.05981	7.3
149.09645	22.1
149.10765	2.7
149.13258	22.7
150.02655	1.8
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	Ectocarpene
Peak:m/z	Relative Intensity
53.03931	4.4
55.01849	2.8
55.05492	9.9
56.38666	2.4
65.03944	22.9
65.75253	2.6
67.05492	4.2
69.07066	19.1
69.32021	19.7
79.05492	20.2
81.07037	6.2
91.05485	32.4
93.03393	8.0
93.07046	49.7
95.04931	3.5
103.05437	5.3
105.07030	43.5
107.07863	4.8
107.08601	82.0
108.09414	3.3
109.06514	6.0
111.04471	3.4
119.08578	11.1
120.09354	3.0
121.02866	43.9
121.03987	12.7
121.06512	10.9
121.10145	100.0
123.08102	4.4
131.04927	2.9
131.08578	2.8
133.07585	8.1
149.02350	97.1
149.06004	6.6
149.09607	14.4
149.13280	45.1
151.41188	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03944	3.4
55.01867	2.0
55.05513	6.1
56.96556	1.9
57.07073	1.5
65.03608	1.8
65.03941	25.4
67.05505	2.0
69.07069	14.2
71.53278	0.8
71.53662	0.9
79.05491	12.9
81.07055	7.5
84.99746	0.9
91.05482	19.4
91.91213	1.0
93.03407	6.5
93.07048	43.6
95.04954	2.0
95.08614	3.5
98.03723	1.1
100.54987	0.8
102.03401	1.1
103.05457	5.6
105.04549	1.8
105.07033	19.3
107.04967	1.7
107.08598	50.3
109.06541	2.6
111.04476	4.3
118.79987	0.8
119.06024	1.5
119.08556	5.3
121.02871	39.2
121.03981	12.3
121.06512	6.6
121.10150	46.2
123.08057	2.4
131.04945	4.0
131.08583	2.6
133.07567	1.9
143.95023	0.9
149.02354	100.0
149.05995	10.4
149.09631	20.4
149.13269	20.2
150.05440	1.4
152.05260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03943	3.0
55.01863	2.7
55.05490	2.2
56.96567	1.5
59.05014	1.3
65.03941	28.1
67.05508	2.3
69.07062	6.8
70.12048	4.5
79.05486	13.5
81.07051	5.4
91.05490	21.7
93.03396	5.2
93.06477	2.1
93.07046	35.4
95.04982	3.2
98.20764	1.3
103.05470	6.5
105.07037	20.4
106.07865	2.0
107.08601	30.7
111.04427	3.2
116.06252	1.8
119.08588	6.0
121.02873	36.8
121.03981	10.1
121.06512	8.6
121.10146	40.9
122.10527	1.7
123.08074	1.8
131.08572	4.1
133.10129	1.2
138.86017	1.2
149.02354	100.0
149.05986	5.3
149.09622	59.6
149.13248	13.4
150.10077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01868	1.5
55.05506	3.0
56.96562	1.5
65.03609	1.5
65.03949	26.2
67.05502	2.0
69.03436	1.0
69.07076	4.2
71.14635	0.9
79.05502	11.3
81.07067	8.1
91.05488	9.8
91.06026	1.2
93.03411	5.7
93.07053	27.1
95.04946	1.0
95.08617	1.9
98.03673	1.5
103.05489	2.1
105.07041	4.4
107.08607	23.3
108.04469	2.5
111.04468	5.7
112.30595	0.7
121.02879	39.4
121.03992	11.5
121.06523	2.9
121.10156	9.9
131.04913	1.4
131.08582	1.4
149.02359	100.0
149.05991	3.2
149.07040	1.4
149.09656	6.3
149.12201	1.2
149.13278	12.0
150.02708	2.4
150.05505	1.2
167.03482	0.9
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	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.27588	0.5
53.03943	2.0
55.01863	2.5
55.05514	5.3
56.96571	4.6
57.03427	2.3
57.07073	2.1
59.04986	1.3
61.04054	0.6
65.03944	2.8
67.01863	0.6
67.05508	15.5
68.95279	2.1
69.03429	3.7
69.07070	2.8
71.05000	1.0
71.32941	1.1
73.02905	0.7
74.76486	0.6
77.03928	0.8
79.05499	9.6
81.01054	0.6
81.03410	2.8
81.07063	35.5
81.70699	0.5
83.04978	0.7
83.08640	0.8
84.51208	0.5
85.02938	1.4
89.00793	0.8
91.05489	14.1
93.07053	17.9
95.00776	0.6
95.01350	0.8
95.04975	9.6
95.08619	16.8
96.08164	0.7
96.08963	0.6
97.02875	1.4
97.06544	1.2
98.97604	3.8
101.00762	1.0
103.05492	1.3
105.03401	1.7
105.07041	21.4
107.04966	2.7
107.08604	13.9
107.47643	1.4
108.02119	1.5
108.05745	2.1
109.06527	21.3
109.10161	16.1
110.01279	2.2
110.97527	0.8
111.04498	0.6
116.48188	1.3
116.98619	1.1
118.15932	0.6
119.01785	3.3
119.04952	2.0
119.06055	0.7
121.06527	1.2
121.10101	3.1
121.52088	0.8
122.07281	0.7
123.03568	1.2
123.04444	13.9
123.08076	17.3
123.10825	1.1
123.11708	10.6
124.07575	0.8
127.07582	2.2
128.02321	4.5
128.98645	1.0
131.08612	0.8
133.02881	0.9
133.06500	5.6
133.10156	8.7
135.08049	0.7
136.05238	0.9
136.08870	1.8
139.53108	0.6
151.02779	1.4
151.03922	16.2
151.05048	3.7
151.07567	22.1
151.11197	100.0
152.11548	1.5
168.36142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.02292	0.6
53.03947	4.4
54.29269	0.6
54.33879	0.5
55.01877	1.2
55.05518	2.8
56.96571	2.2
57.03437	1.3
57.07075	1.5
59.04997	1.6
65.03945	2.5
67.05180	0.8
67.05511	10.7
68.95287	1.2
68.99786	1.5
69.03428	2.4
69.07069	4.0
71.04990	1.8
71.53773	1.0
72.13254	0.6
73.02946	0.7
77.03925	1.3
79.05495	7.3
81.03429	1.8
81.07066	27.9
89.05991	0.9
90.55415	0.6
91.04910	1.0
91.05486	24.6
93.07053	100.0
94.07375	1.3
95.04989	9.8
95.08614	9.2
97.06524	1.1
98.47087	1.1
98.87876	0.6
98.97604	1.5
103.05491	0.7
105.04529	2.4
105.07043	21.2
107.04967	2.2
107.08602	10.2
107.47671	1.2
108.02115	0.9
108.05755	2.4
109.06535	12.3
109.10172	11.2
110.01292	1.2
116.48150	1.3
118.04140	0.7
119.01825	1.9
119.04961	2.6
121.06496	0.9
121.10155	2.3
123.04454	5.0
123.08086	6.9
123.11720	9.5
128.02370	1.8
131.08600	1.0
133.06493	2.3
133.10139	20.2
134.06097	0.9
136.05202	2.3
136.08830	1.1
151.03941	16.3
151.05026	1.3
151.07570	21.7
151.11198	72.2
152.07043	0.8
152.11542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.37140	0.3
53.03950	0.9
55.01879	0.4
55.05525	1.7
56.96560	0.4
57.03429	0.3
57.07079	2.8
59.04998	1.1
62.97702	0.3
65.03938	0.9
65.23649	0.3
67.05182	0.6
67.05512	9.5
67.80091	0.4
68.95287	0.4
69.03442	0.9
69.07075	3.3
70.96856	0.4
70.97176	0.5
71.08646	0.8
79.05502	3.4
81.03448	0.3
81.07067	16.2
83.08624	0.6
86.43867	0.4
91.05494	4.7
93.07053	4.4
95.04992	2.6
95.08617	19.8
97.06512	0.7
98.47116	0.4
105.07040	7.5
107.04947	1.0
107.08611	6.1
107.47672	0.4
108.05756	1.8
109.05793	0.6
109.06526	9.9
109.10168	20.8
110.01292	0.4
119.01808	0.6
119.04967	0.8
121.06538	0.9
121.10178	2.0
123.04486	0.6
123.08085	4.5
123.11723	4.6
123.12564	0.5
133.10143	4.1
135.08081	0.5
136.05197	2.9
136.08846	2.8
150.94653	0.3
151.03952	1.3
151.07588	12.5
151.11197	100.0
151.14743	4.0
152.11520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.112
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.99401	0.5
53.03948	1.5
53.28992	0.4
55.01868	0.8
55.05520	18.6
56.96575	1.1
57.03436	1.1
57.07079	0.8
59.04996	1.6
65.03940	0.8
67.05514	9.4
69.03439	1.8
69.07063	1.8
69.55596	3.1
75.96107	0.4
79.05495	4.5
80.14677	0.4
81.03440	0.7
81.07069	16.7
83.05001	0.6
83.08632	0.4
91.05495	6.9
93.07056	9.5
95.04977	4.9
95.08615	7.8
96.05761	0.4
97.06528	4.2
98.97579	0.8
100.83251	0.4
103.05493	0.5
105.04518	0.5
105.07047	10.0
107.04982	0.9
107.08614	8.6
108.05743	1.9
109.06537	13.2
109.10164	11.2
110.01269	1.0
110.07361	0.4
119.01830	0.7
119.04985	1.8
119.06067	0.6
121.06461	0.6
121.10120	2.5
123.04433	1.4
123.08097	5.2
123.11705	6.6
133.10153	5.7
136.05215	2.4
136.08855	1.5
147.62401	0.4
151.02835	0.7
151.03932	2.6
151.07596	12.8
151.11201	100.0
152.11542	1.6
155.98431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1484
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
50.99502	0.5
53.03945	1.4
55.01881	1.1
55.05518	6.9
56.67592	0.5
56.96576	1.8
57.07083	13.7
59.04999	0.7
60.21270	0.4
60.72890	0.5
65.03944	1.9
65.58647	0.4
67.05514	34.0
68.95287	2.1
69.03429	1.6
69.07078	9.4
69.07452	0.5
69.54022	2.0
69.54431	1.1
70.67529	0.4
71.05003	0.5
71.08638	5.6
73.02930	0.6
79.05504	6.4
80.06250	0.7
81.01042	0.5
81.03440	0.7
81.07067	45.2
83.04987	0.5
83.08628	2.0
91.05486	8.2
93.07057	8.1
95.04993	5.4
95.08619	100.0
96.08955	1.2
97.06504	1.0
97.76934	0.5
98.01297	0.6
98.72588	0.5
98.97600	1.8
101.00770	0.7
105.07050	7.8
106.97663	0.5
107.01792	0.7
107.04964	1.8
107.08609	7.0
107.47655	1.4
108.05748	1.5
109.06537	9.7
109.10168	77.7
110.01322	1.1
110.10450	0.8
116.48187	0.8
118.98427	0.7
119.01812	1.2
119.04941	2.8
120.80158	0.4
121.06503	0.9
121.10155	1.1
123.03678	0.5
123.04411	2.4
123.08085	8.3
123.11723	10.4
124.58781	0.5
128.02332	1.0
131.08583	0.5
133.06509	0.5
133.10158	4.3
135.08040	1.3
136.05202	2.1
136.08847	6.9
137.02774	0.7
151.02849	0.9
151.03922	6.5
151.05048	1.2
151.07579	13.7
151.11200	81.9
151.14821	24.0
152.11533	1.4
152.15118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03938	1.2
55.05516	6.4
56.96568	4.4
57.03436	1.5
57.07057	1.4
57.59183	0.8
61.02911	1.3
65.03937	2.2
67.05508	88.7
68.05840	0.7
68.95289	1.3
69.03430	1.1
69.07070	4.2
69.96585	1.8
69.96982	1.4
73.02927	2.4
74.00266	1.0
79.05489	5.8
81.03422	1.4
81.07061	49.5
83.08611	1.6
85.02924	1.3
89.00788	1.8
89.06051	1.3
90.01553	0.9
91.05476	5.5
93.07040	7.5
94.21696	0.7
95.04976	2.4
95.08612	100.0
96.08939	1.2
98.01280	1.2
98.97575	4.9
101.00770	1.5
101.52351	1.1
103.17590	0.7
105.07026	4.5
107.04963	2.0
107.08580	4.8
107.47633	2.0
109.02933	0.8
109.06525	2.4
109.10162	56.2
109.52087	1.6
110.01266	3.7
110.97593	1.4
114.03209	0.7
116.48163	1.1
116.98621	2.5
118.98455	1.3
119.01789	6.2
119.04932	0.9
121.52077	1.9
123.04432	1.8
123.08089	3.1
123.11721	2.6
128.02309	4.8
128.98660	0.9
130.52620	2.0
133.10124	2.3
134.99693	0.8
137.02792	1.0
139.53091	1.0
140.00179	0.9
151.04005	4.2
151.06163	1.0
151.07545	12.0
151.08629	1.4
151.11220	4.4
151.14813	11.8
152.07077	1.7
158.01300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
51.02390	0.6
53.03954	0.9
55.01881	1.4
55.05514	2.6
56.96572	1.3
57.03438	1.5
59.05026	0.8
65.03949	67.8
67.05511	5.5
68.99813	0.5
69.03438	3.5
69.07077	3.7
70.94268	2.1
70.95870	1.1
71.05000	1.6
71.53649	0.5
71.94107	1.0
79.01873	4.1
79.05499	6.2
81.03433	0.7
81.07074	5.0
83.04987	3.2
85.06580	0.6
88.95328	0.7
91.05505	4.4
93.03418	68.9
93.07056	10.0
94.03744	0.8
95.04982	58.6
95.08615	7.0
96.05288	0.8
97.02905	1.5
97.06543	4.9
103.47391	0.5
105.07021	1.1
107.01239	0.5
107.04976	3.6
107.08608	14.2
109.06524	3.1
109.10172	4.1
110.03672	9.9
111.04456	100.0
111.08086	6.3
111.96888	2.2
112.04803	0.6
117.07034	1.2
121.06508	0.9
125.02386	1.5
125.06010	63.8
125.09598	2.4
129.94916	0.5
129.97957	1.4
134.06020	2.6
135.04448	1.6
135.08035	3.2
135.11711	5.0
136.07582	1.1
138.03122	1.4
138.06819	0.7
143.03430	3.3
153.01843	12.4
153.02977	3.7
153.05490	30.0
153.09087	5.9
153.12747	5.2
153.13829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.01885	0.2
55.05514	0.6
56.96561	0.2
57.03426	0.2
59.04994	0.2
65.03948	6.9
67.05170	0.3
67.05511	3.4
69.03449	0.4
69.07072	0.7
70.94259	0.5
70.95863	0.2
71.04999	0.4
71.53732	0.2
71.54108	0.2
73.06561	0.2
79.01865	1.1
79.05495	1.4
81.07058	0.9
81.60399	0.2
83.04987	0.8
83.08613	0.3
91.05493	0.6
93.03417	5.7
93.07056	2.6
95.04978	100.0
95.08595	1.0
96.05295	1.0
97.02909	0.4
97.06547	0.7
105.07037	0.3
107.01326	0.3
107.04976	0.6
107.08609	2.7
109.06528	1.1
109.10161	1.0
110.03656	1.1
111.04451	6.8
111.08090	3.6
111.96883	0.5
117.07151	0.2
125.02389	0.5
125.06005	4.7
125.09618	0.4
135.04414	0.2
135.08066	1.2
135.11754	0.7
135.92937	0.2
136.07587	0.3
143.03430	0.8
153.01857	4.1
153.02945	0.6
153.05479	3.0
153.09116	3.7
153.10307	0.2
153.12718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03936	2.8
55.01867	3.7
55.05514	27.3
57.03427	4.0
59.05011	5.3
64.40112	1.0
65.03945	7.1
67.05503	9.2
69.03084	1.3
69.03436	19.8
69.07069	2.3
69.53842	7.0
70.94258	2.2
70.95863	1.1
71.05005	2.2
79.05503	23.4
79.52997	1.0
81.03435	1.1
81.07069	11.3
83.04986	75.9
83.08610	2.6
86.16415	1.1
91.04974	2.0
91.05490	27.0
93.03396	4.9
93.06479	1.7
93.07051	33.3
95.04965	12.4
95.08608	3.3
97.02882	3.1
97.06536	6.5
98.20753	2.3
99.04453	1.8
105.07048	10.0
106.04191	2.2
106.24081	1.1
107.04961	2.7
107.08601	79.2
109.06508	10.2
109.10140	3.7
110.03641	1.1
111.04472	8.4
111.08089	100.0
111.96886	1.2
115.05463	1.4
116.45406	1.0
117.07059	1.7
119.06097	4.6
120.46281	1.1
125.02369	1.1
125.05998	4.7
125.09639	55.8
126.09949	1.5
135.04443	2.0
135.08049	14.8
135.11719	1.2
139.06512	1.2
139.07574	5.5
153.01881	5.7
153.02899	1.2
153.05473	3.1
153.09109	37.4
153.11711	2.1
153.12816	1.7
154.08636	21.4
154.09805	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02391	2.7
53.03947	3.8
53.94175	1.7
55.01878	5.8
55.05508	18.8
56.96564	4.6
57.03434	6.0
57.07074	8.7
59.04997	12.5
61.71749	1.9
65.03946	31.2
67.05508	20.6
68.05008	2.6
69.03439	11.2
69.07076	24.7
69.78778	2.1
70.94267	13.0
70.95876	3.3
71.04994	34.3
71.54581	2.7
71.94099	2.1
73.06552	17.8
74.79270	2.2
79.01866	24.6
79.05501	37.2
80.05061	2.6
81.07063	91.4
83.04996	19.4
83.08646	6.1
88.95288	3.6
91.05489	20.0
93.03411	34.6
93.07047	88.4
95.04971	52.3
95.05558	3.4
95.08611	48.2
97.02916	5.6
97.06541	42.0
105.07047	9.0
107.01328	4.5
107.04986	9.2
107.08600	100.0
109.06526	13.3
109.10159	33.9
109.10830	3.0
110.03667	7.5
111.04449	57.2
111.08089	14.8
111.96890	11.6
119.08630	2.0
125.02376	7.9
125.05997	40.9
125.09648	5.1
129.97939	6.0
135.04449	6.0
135.08087	10.7
135.11700	65.1
136.03976	3.6
136.07603	6.3
143.03406	20.3
153.01863	67.3
153.02998	15.1
153.05470	29.9
153.06567	3.2
153.09131	12.5
153.12764	57.9
153.13950	3.8
154.05006	3.3
154.08740	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	2.1
53.03946	6.5
55.05520	16.4
57.03426	2.2
57.07083	3.6
58.11496	1.8
59.05018	9.1
61.50755	1.6
65.03946	10.6
67.01842	2.4
67.05511	12.2
69.03436	3.4
69.07075	17.0
70.85002	4.9
70.94257	4.1
71.05001	39.2
73.06566	21.5
75.04492	6.5
79.01861	3.3
79.05510	28.8
81.03436	2.0
81.07069	100.0
83.04971	5.1
83.08616	7.7
87.22715	1.8
89.29781	1.7
91.05491	14.9
93.03423	7.6
93.06478	4.6
93.07053	69.0
95.04987	16.0
95.08621	29.3
97.06543	16.1
99.98515	1.8
105.07024	2.8
107.04935	2.1
107.08607	65.6
109.06532	3.9
109.10165	19.1
110.03676	4.0
111.04474	11.7
111.08110	7.5
111.96877	5.3
111.98597	1.6
119.53079	1.9
121.06559	9.9
125.06003	11.6
125.09636	2.3
129.97861	2.7
135.11713	53.2
138.06796	2.2
143.03435	2.4
153.01846	14.4
153.02962	3.8
153.05544	10.3
153.09087	15.6
153.12775	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00323	1.3
53.03940	3.6
55.05517	17.3
57.03431	2.0
57.07065	2.8
57.37487	1.3
59.04989	5.2
60.87697	1.2
65.03942	6.5
67.05512	13.0
69.03424	5.7
69.07080	10.9
69.38415	3.8
69.38832	5.9
70.94257	3.1
71.04999	35.3
73.06562	19.0
79.01875	7.8
79.05502	24.0
81.07065	89.0
83.04986	5.6
83.08617	3.9
91.05482	11.6
93.03421	8.0
93.07053	53.6
95.04983	100.0
95.08619	24.0
95.62255	1.3
97.02909	2.6
97.06543	12.1
98.20723	2.5
105.07026	4.6
107.01331	3.0
107.04952	1.9
107.08610	60.5
109.06529	4.1
109.10161	16.9
111.04458	9.5
111.08070	9.0
111.96886	4.0
119.08589	3.0
123.08073	5.0
125.02354	3.4
125.06001	5.6
125.09640	3.4
135.04408	1.9
135.08057	5.2
135.11713	38.6
143.03418	6.7
149.02289	1.4
150.40501	1.5
153.01862	25.1
153.02980	3.6
153.05505	7.4
153.06557	1.9
153.09145	7.4
153.12769	24.6
154.08688	1.6
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
51.02378	1.2
53.03933	1.6
55.01859	1.3
55.05506	6.9
56.96548	1.8
57.03415	2.5
57.07064	1.7
59.04992	2.2
65.03941	11.8
67.05505	12.1
69.03407	3.3
69.07063	13.6
69.77569	5.2
70.94244	3.8
71.05000	5.0
75.04472	0.9
79.01847	6.4
79.05491	13.8
81.07057	18.2
83.04978	9.9
83.08602	2.5
91.05473	9.9
93.03412	13.5
93.07043	67.2
95.04968	13.3
95.08608	58.7
97.02872	2.3
97.06534	14.0
98.20755	1.6
105.07005	3.0
107.01314	1.8
107.04943	3.9
107.08595	100.0
108.08873	1.6
109.06522	4.3
109.09467	1.3
109.10165	20.1
110.03657	2.4
111.04443	16.1
111.08075	5.6
111.96873	2.3
114.76149	0.8
119.06082	1.7
125.02330	2.5
125.05996	11.0
125.09592	1.7
135.04427	1.2
135.08080	13.5
135.11696	51.4
136.07535	1.1
143.03432	4.9
153.01845	19.9
153.02933	3.6
153.05461	11.2
153.09126	5.3
153.12750	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	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03936	2.1
55.01861	2.6
55.05301	0.8
55.05513	8.7
56.34261	0.8
56.96555	3.4
57.03442	5.1
57.07066	1.6
59.04996	1.8
60.95855	0.8
65.03944	7.3
67.05505	25.9
69.03433	4.5
69.07069	43.0
70.94250	4.0
70.95863	2.2
71.04989	3.7
71.53461	1.3
71.95272	4.4
73.06561	0.9
79.05493	23.6
81.03416	1.2
81.06586	1.5
81.07058	29.3
83.04993	5.6
83.08601	6.0
85.06525	1.4
88.95291	1.1
91.05489	4.8
91.89587	0.9
93.03402	5.6
93.07043	37.9
95.04945	2.8
95.08604	17.2
96.50658	1.0
97.06529	19.3
105.06992	0.9
107.04944	2.6
107.08596	42.2
109.06540	1.9
109.10159	28.5
110.01295	1.5
110.03645	2.6
111.04447	11.8
111.08064	7.0
111.96867	3.5
112.96727	1.4
125.02322	1.0
125.05983	7.8
126.06380	1.4
129.97929	1.1
135.04413	1.8
135.11693	96.4
136.03926	3.5
136.07568	1.6
136.12042	1.1
153.01878	1.2
153.05527	7.7
153.07449	4.0
153.09227	4.4
153.12744	100.0
154.04948	0.9
154.08609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	4.4
55.01872	3.9
55.05517	16.2
56.96554	3.2
57.03426	3.4
57.07070	1.7
59.05010	8.2
60.26050	1.2
63.73688	1.3
65.03943	17.3
67.05506	12.4
68.05047	1.6
69.03429	8.2
69.07073	19.9
70.94255	6.0
70.95862	1.8
71.04998	35.4
71.26432	1.1
71.94102	2.3
71.95258	2.1
73.06171	1.7
73.06560	22.0
75.04470	1.3
79.01857	3.0
79.05495	31.8
81.03429	3.4
81.07060	100.0
83.01315	2.1
83.04986	9.7
83.08620	4.3
85.06522	2.0
87.04494	2.0
87.78564	1.2
88.95319	2.0
91.05482	13.8
93.03423	10.9
93.07050	51.7
95.04981	15.7
95.08611	15.6
97.02881	3.1
97.06533	15.3
105.07039	3.5
107.04959	9.3
107.08598	50.8
109.06540	9.2
109.10159	13.4
110.03651	5.2
111.04451	28.9
111.08091	9.5
111.96860	7.0
117.07021	1.6
119.06050	1.3
119.08601	1.7
121.02899	1.4
121.06515	5.0
125.02381	1.1
125.06009	16.8
125.07990	1.5
125.09618	5.0
126.43635	1.1
129.97913	4.0
134.05971	1.5
135.04408	6.2
135.08047	5.1
135.11700	31.8
136.03938	3.6
136.07565	3.9
137.05998	4.3
138.06758	3.0
143.03374	2.5
153.01857	13.2
153.02937	1.6
153.05487	16.8
153.06589	2.8
153.09122	25.5
153.10201	1.2
153.12752	26.0
153.13939	2.3
154.04997	2.2
154.08672	2.8
154.12242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01593	1.8
51.02375	3.9
53.03942	4.4
55.01876	3.5
55.05513	15.3
56.96559	4.1
57.07090	1.5
59.05008	9.0
65.03946	11.5
65.65952	1.4
67.05506	22.6
69.03423	5.6
69.07067	14.7
69.61704	9.6
70.94278	3.3
70.95860	1.7
71.04998	43.4
73.06561	23.7
79.01863	39.6
79.05499	37.6
79.66993	1.2
81.03438	1.4
81.07062	100.0
83.04984	6.7
83.08626	1.8
87.34854	1.5
91.05473	15.7
93.03429	8.6
93.07050	42.9
95.04977	29.6
95.08614	8.4
97.02911	6.6
97.06527	8.8
105.07054	4.5
107.01314	9.9
107.04977	6.1
107.08601	64.9
109.06544	5.3
109.10163	9.2
110.03682	6.2
111.04448	22.2
111.08075	9.0
111.96835	2.7
119.08581	2.1
125.02354	11.4
125.05992	14.1
125.09670	4.6
129.97900	1.9
135.04483	1.9
135.08084	5.4
135.11710	35.0
136.07565	1.8
143.03409	27.2
153.01855	92.4
153.02989	21.4
153.05446	10.1
153.09091	9.8
153.12758	19.0
160.64748	1.4
162.73195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	3.3
53.67549	1.5
53.91202	1.4
55.01875	1.9
55.05514	15.5
56.96553	1.5
57.07081	1.9
59.05002	7.5
64.22842	1.2
65.03932	4.4
66.19623	1.2
67.05502	7.7
69.03425	4.4
69.07068	12.5
69.76512	4.2
69.76924	2.3
70.94258	4.2
70.95873	2.0
71.04996	45.9
73.06560	22.4
79.01861	4.2
79.05499	27.6
81.07059	100.0
83.04985	3.9
83.08609	2.8
85.06528	1.4
91.05485	8.2
93.03410	5.7
93.07047	48.6
93.07640	2.6
95.04978	9.4
95.08601	11.0
97.06532	9.7
98.21503	2.1
105.07034	3.3
107.01367	1.7
107.04948	6.9
107.08595	46.4
108.08075	1.4
108.15414	1.4
109.06513	2.5
109.10152	10.0
111.04462	8.4
111.08086	7.5
111.96882	3.1
125.02348	3.5
125.05949	7.6
125.09557	3.0
129.97997	1.6
135.04422	4.4
135.08083	2.4
135.11694	36.8
136.07582	2.4
143.03426	5.0
153.01859	19.1
153.02988	3.7
153.05460	9.1
153.07428	2.2
153.09113	4.2
153.12755	22.7
154.08633	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.3
55.76277	0.3
56.05040	0.5
63.23880	0.3
64.36295	0.3
65.25738	0.3
67.05523	0.4
69.03432	0.4
69.33909	0.3
69.91636	1.7
70.06582	0.6
72.93786	0.6
79.05505	1.8
81.07071	5.3
82.06582	1.3
83.04960	0.4
83.08623	1.2
83.28181	0.3
84.04497	0.4
91.05473	0.7
93.05806	0.7
97.05281	1.6
98.06076	1.8
98.09693	0.9
108.08146	2.2
108.08848	0.5
109.06533	3.9
110.06059	2.6
111.06861	3.0
111.08018	0.3
112.08392	0.4
113.96406	0.4
121.06499	0.5
125.08407	0.8
126.09191	2.4
127.03636	0.3
136.07622	1.1
139.06294	3.7
139.07558	2.9
154.08649	100.0
155.09019	1.3
161.12305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93830	2.6
55.01869	0.5
55.05496	0.8
55.71977	0.3
55.93520	0.4
56.96568	0.9
57.03429	1.6
59.06321	0.3
59.24781	0.4
62.85772	0.4
67.05505	1.9
69.03426	1.2
69.71761	0.4
69.96179	28.2
70.22221	0.9
70.22603	0.7
70.95872	3.1
71.52206	0.4
71.94102	10.9
72.93394	0.7
72.93794	14.1
73.02927	1.0
77.52155	0.7
79.05474	0.6
81.03425	0.4
81.07049	1.2
82.01438	1.2
83.04977	1.3
85.02922	0.5
86.52705	4.1
87.02847	0.4
87.97227	0.8
88.02704	0.8
88.51686	0.4
88.96894	0.6
89.01738	0.7
89.51580	1.0
89.95123	0.6
90.94813	2.3
91.05496	0.5
95.04970	0.9
95.53202	1.5
98.09705	0.5
99.04463	0.6
99.53467	1.1
100.02482	1.6
101.00894	1.7
101.02395	0.6
102.02379	0.7
107.53235	0.5
108.53958	0.9
109.02895	0.7
109.06526	2.2
109.10175	0.7
110.98788	1.4
111.02934	0.5
111.04469	0.9
111.98473	1.6
112.96719	0.5
113.00875	1.5
113.05997	0.6
113.53182	0.8
113.95137	7.2
113.96405	9.2
113.97169	0.8
114.00966	0.5
114.04028	1.5
115.02420	0.5
118.03504	0.6
119.01917	1.6
119.98986	0.9
120.48851	1.4
121.01598	0.7
122.53725	1.1
124.02461	1.4
126.49235	0.6
126.99154	0.4
127.03917	1.0
128.49490	1.0
128.99521	2.8
129.49391	2.2
129.99516	0.4
131.01921	2.7
131.49796	0.4
131.96156	100.0
131.97322	3.1
132.01955	1.0
132.05066	5.9
132.49741	0.4
132.95810	5.0
133.03497	1.1
136.47371	0.4
137.05949	0.8
137.50002	1.6
138.00070	3.6
138.49879	4.4
138.99991	0.7
140.00299	0.6
140.50319	3.3
141.00192	2.4
141.95647	0.4
142.03497	3.1
143.01994	0.5
144.03258	0.8
149.50844	3.2
149.97209	81.5
150.00575	3.5
150.06096	1.8
150.50758	0.5
150.96873	5.5
151.04616	0.4
152.51045	0.4
154.03470	0.5
154.97768	5.7
154.98936	0.8
155.01993	0.6
155.03528	0.9
155.07037	2.3
157.03491	0.9
161.02950	0.5
167.98285	3.8
172.98831	5.9
173.02953	0.9
174.06020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0289
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	0.9
57.03444	2.6
59.04984	0.6
67.05504	0.7
68.86334	0.6
68.99792	5.1
69.03430	23.5
71.01360	4.0
73.02924	3.8
76.93362	1.0
77.22655	0.6
83.01366	2.8
85.02909	30.1
91.05492	2.0
95.01331	54.0
97.02895	20.0
98.09682	1.2
98.20669	0.9
99.00819	22.9
105.07005	0.6
113.02390	4.9
115.03922	2.9
117.07024	1.7
117.96059	1.3
119.08606	0.6
123.00793	100.0
124.01131	1.0
129.06964	1.3
131.03470	0.6
131.08553	4.2
141.01826	14.9
143.48492	0.6
144.09363	1.9
156.83865	0.6
158.15413	1.2
159.02910	8.4
159.08122	1.0
159.11679	6.4
159.15784	3.2
177.04007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0288
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
53.00301	0.7
53.03934	2.0
55.01857	1.7
56.96561	4.2
57.03432	3.4
57.07059	0.9
59.05019	0.8
59.34936	0.8
62.57042	0.7
67.05503	2.0
68.99786	5.5
69.03431	24.2
70.06593	1.6
70.98106	1.1
71.01344	4.4
71.04985	1.5
71.06911	1.3
71.54060	1.1
73.02915	3.5
76.92889	1.7
76.93359	4.3
81.07041	1.2
83.01332	2.8
85.02904	36.9
87.04465	1.5
91.05476	2.7
94.94405	1.8
95.01330	54.0
95.08606	1.4
97.02891	22.5
98.09692	3.1
98.97585	8.2
99.00814	20.4
99.04447	1.5
99.10017	1.9
99.97933	0.9
105.07011	2.0
113.02383	5.6
113.05947	1.2
113.07912	0.8
114.09187	0.8
115.03943	3.7
115.05446	0.7
116.06278	0.9
116.98629	5.8
117.01874	1.2
117.06991	3.3
117.95982	6.1
117.98929	0.9
119.08541	1.5
123.00790	100.0
129.07013	2.8
130.07759	1.2
131.04942	1.3
131.08583	6.7
134.99667	2.6
135.97031	1.6
141.01825	24.5
141.14664	1.5
144.05646	0.7
144.09329	2.3
157.10100	1.1
158.15425	3.4
159.02902	10.0
159.06863	1.0
159.08058	14.1
159.09088	0.7
159.10109	2.0
159.11685	16.3
159.15771	11.2
163.03874	1.7
164.04207	1.4
172.30939	0.7
177.03972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01877	0.7
55.05516	0.7
56.96564	1.7
57.03425	2.6
63.34916	0.6
67.05492	0.9
68.99798	5.0
69.03437	23.2
69.32707	5.0
70.06577	0.9
71.01365	3.0
71.04993	1.0
71.06909	0.8
73.02926	3.3
76.92902	1.1
76.93365	3.0
78.91483	0.6
79.05459	0.5
81.03398	0.6
81.07067	0.9
83.01340	2.6
85.02914	29.7
85.03444	1.4
87.04465	0.9
91.05486	2.8
94.94402	0.9
95.01341	53.6
95.08591	0.8
97.02906	20.5
98.09687	1.4
98.21513	1.2
98.97601	3.8
99.00823	20.7
99.10061	1.3
105.07027	2.1
106.29390	0.7
108.02530	0.6
113.02383	6.1
113.07948	1.1
115.03944	3.0
116.98654	2.9
117.07024	3.2
117.96005	4.1
119.08595	1.1
123.00803	100.0
124.01083	0.9
129.07018	1.4
131.04973	0.6
131.08603	7.0
134.99690	1.2
135.97037	1.0
141.01845	22.0
144.09344	2.4
158.15424	3.2
159.02910	9.1
159.04283	0.9
159.08084	6.5
159.10144	1.7
159.11710	13.3
159.15790	8.9
164.04233	1.0
177.03979	1.2
178.84378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09088	0.5
53.00288	1.3
53.03944	1.7
53.63200	0.8
53.77009	0.6
55.01866	1.1
56.96559	1.1
57.03426	2.5
59.05000	1.5
59.20681	0.6
64.87418	0.6
67.01832	0.7
68.99792	4.9
69.03432	25.5
70.06593	1.2
71.01349	4.5
71.05013	0.7
73.02920	5.2
76.93357	2.4
83.01345	3.3
85.02909	33.0
87.04427	0.8
91.05483	1.9
94.94381	0.8
95.01331	55.8
97.02896	20.9
98.09687	1.5
98.21600	2.1
98.97604	3.2
99.00823	21.3
99.01475	1.3
99.04388	0.6
99.10060	1.0
101.02351	1.1
103.05463	1.0
105.07042	1.6
113.02370	5.2
113.07920	0.8
115.03933	4.0
116.98652	2.1
117.07020	2.0
117.95988	3.1
119.08579	1.7
123.00796	100.0
129.07021	1.0
130.07788	1.0
131.08553	4.1
134.99709	1.1
141.00745	1.1
141.01836	20.4
144.09370	1.8
158.15416	2.3
159.02895	9.9
159.06905	0.8
159.08076	1.8
159.10168	1.1
159.11705	9.9
159.15759	8.1
177.03960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0289
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
52.99076	0.4
53.03935	1.3
54.50309	0.4
55.01866	0.4
57.03430	1.1
59.04990	0.7
68.99796	4.2
69.03433	20.8
70.43924	0.4
71.01369	2.9
71.05607	0.6
71.05927	0.4
73.02922	3.3
74.97575	0.4
83.01334	1.5
85.02909	17.0
87.04477	0.9
95.01334	44.9
97.02896	18.8
97.03411	0.2
99.00822	19.3
99.09997	0.4
100.57280	0.4
103.26953	0.4
112.09045	0.4
113.02364	3.1
115.03942	3.2
117.06994	0.7
119.08573	0.4
123.00796	100.0
124.01162	0.5
129.07074	0.5
131.08548	0.9
141.00737	0.7
141.01837	12.0
159.02905	5.3
159.08055	0.4
159.10477	0.4
159.11652	2.6
159.15788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.029
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
53.03947	1.3
55.01879	1.1
56.96557	0.8
57.03434	2.1
57.07064	0.7
67.05499	0.9
68.99799	4.1
69.03436	26.3
69.89341	3.2
70.06585	0.8
71.01357	4.1
73.02931	4.0
73.74562	0.6
76.92908	0.7
76.93391	2.2
83.01350	3.0
85.02913	30.2
85.95958	0.7
91.05480	1.4
95.01340	54.0
97.02903	20.3
98.09688	1.7
98.97598	3.6
99.00825	21.9
99.10040	1.3
103.41272	0.7
106.70956	0.6
113.02383	5.0
115.03957	3.8
116.06274	1.1
116.98630	1.4
117.21027	0.7
117.96007	2.1
119.73853	0.6
123.00805	100.0
129.07034	1.0
131.08591	3.5
133.17798	0.7
135.40250	0.8
135.97060	0.8
141.01851	18.1
141.14630	1.0
158.15407	3.2
159.02924	9.5
159.08083	0.9
159.10072	1.3
159.11711	4.0
159.15775	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	159.029
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
50.84674	0.6
53.00309	0.8
53.03945	1.7
55.01877	0.9
56.96558	1.8
57.03430	2.3
67.05495	1.3
68.99803	4.4
69.03434	25.2
71.01372	4.1
71.04982	0.8
71.53149	0.5
73.02927	5.1
76.92866	2.0
76.93377	2.4
81.17429	0.6
83.01353	2.6
85.02914	30.7
87.04459	1.2
91.05497	1.6
91.67552	0.6
95.01337	62.5
96.01646	0.7
97.02905	19.2
98.09697	1.7
98.97601	3.4
99.00825	19.8
99.10067	1.0
106.72339	0.6
113.02389	5.3
113.07915	1.1
115.03926	3.9
115.04648	0.6
116.98640	1.8
117.06955	1.3
117.96025	3.7
123.00803	100.0
124.01129	0.8
126.52026	0.6
128.93813	0.7
131.08589	4.1
135.97060	1.7
140.14395	0.9
141.01839	21.8
141.14723	0.6
144.09378	1.4
158.15367	4.0
159.02921	10.0
159.08092	1.4
159.10010	2.0
159.11720	5.9
159.15785	7.8
177.04004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0289
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
53.03936	2.1
55.01862	2.1
56.96560	4.2
57.03430	3.4
61.88066	1.0
67.05507	1.5
68.99783	4.5
69.03078	1.8
69.03435	29.1
71.01349	5.6
71.05004	1.7
71.06934	1.7
73.02912	4.9
76.92865	5.0
76.93368	7.1
81.03436	1.2
81.07085	1.5
83.01342	3.8
85.02906	41.2
87.00833	1.4
87.04476	2.1
88.07638	1.7
91.05475	7.7
94.94413	2.6
95.01332	55.2
95.08630	1.1
97.02898	23.2
98.09689	5.0
98.97598	9.6
99.00822	17.8
99.04453	1.7
99.10028	2.9
102.09166	1.5
105.07056	3.3
113.02390	8.0
113.06051	1.3
114.09102	1.0
115.03939	2.1
116.98622	6.9
117.01918	1.1
117.07019	4.4
117.95992	8.8
120.55661	1.2
123.00794	100.0
129.06978	2.7
130.07787	1.2
131.03444	1.0
131.08582	17.0
134.99646	3.7
135.96973	4.6
141.01831	34.4
141.14676	1.9
144.09361	3.7
149.18677	0.9
158.15410	12.0
159.02907	12.0
159.08055	5.4
159.10098	2.4
159.11696	16.4
159.15759	23.7
160.09596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01863	0.9
56.96552	0.6
57.03430	2.4
59.05016	0.6
68.99789	5.2
69.03432	22.6
71.01360	4.0
72.04514	0.5
72.24089	0.6
73.02927	3.9
76.93351	1.1
83.01350	2.6
85.02908	22.7
87.04474	0.8
89.29715	0.6
91.05476	1.4
95.01333	54.9
97.02897	18.7
98.09678	1.1
98.20775	1.0
98.97587	0.8
99.00822	22.4
105.07040	1.6
113.02378	4.1
115.03923	3.0
116.98602	0.9
117.06998	3.0
117.95988	1.6
118.50939	0.5
123.00794	100.0
124.01148	0.9
129.06989	1.2
131.08556	4.9
133.19533	0.5
135.97012	0.6
141.01834	14.7
144.05734	0.7
144.09326	2.3
158.15396	0.9
159.02905	7.9
159.05711	0.7
159.08072	2.3
159.10101	1.6
159.11707	12.2
159.15755	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	159.0288
Annotation	4-Oxalocrotonate
Peak:m/z	Relative Intensity
53.03936	1.2
54.61407	0.5
55.01855	1.1
56.96555	2.1
57.03426	2.2
60.61810	0.5
60.98424	0.5
62.15676	0.5
67.05504	1.1
68.99787	4.5
69.03430	21.6
69.89538	2.5
70.06573	0.7
71.01355	5.8
71.04933	0.6
71.06895	1.1
73.02928	2.6
76.92902	0.8
76.93361	2.6
78.29172	0.5
83.01348	2.7
85.02907	34.4
85.90145	0.5
87.04472	0.8
91.05479	1.8
94.94410	0.9
95.01331	58.8
97.02893	20.7
98.09696	2.0
98.97581	2.5
99.00816	20.4
99.10036	1.2
100.30063	0.5
105.07037	1.5
113.02374	6.9
113.07947	0.8
114.09199	0.5
115.03923	3.3
116.94201	0.5
116.98618	1.3
117.01843	0.7
117.06987	1.4
117.95959	3.8
117.96631	0.4
121.80742	0.5
123.00792	100.0
124.01128	0.7
124.02759	0.5
129.06992	0.9
131.08568	4.0
134.99680	1.2
135.97006	1.5
141.01830	18.8
144.09329	1.6
158.15425	1.9
158.98593	0.6
159.02907	9.6
159.06841	1.0
159.08051	3.7
159.10075	1.9
159.11714	7.3
159.15768	8.6
177.03928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01874	1.1
55.05264	1.4
55.05515	20.1
56.96557	3.2
57.03438	91.5
61.02908	2.7
65.33854	1.1
66.97478	1.1
67.05471	2.7
69.03434	2.8
69.07070	60.2
69.16829	10.6
70.06580	1.6
71.04994	2.4
71.06921	1.8
76.92938	1.4
76.93362	5.2
78.24034	1.0
79.05497	19.1
81.03419	1.3
81.07058	87.8
85.02908	4.0
91.05486	6.5
95.01332	6.0
95.08613	2.1
97.02895	1.8
98.09689	2.3
98.97578	13.4
99.00841	1.6
99.04449	1.6
99.08096	100.0
100.07607	1.2
105.07063	4.3
108.80682	1.0
113.02362	4.4
113.07963	1.1
115.05489	1.9
115.76819	1.0
116.06197	1.8
116.98637	7.3
117.07009	6.8
117.95952	6.0
119.08566	1.8
123.00790	7.8
129.06993	3.7
130.07811	1.7
131.04935	3.4
131.08565	12.9
134.99666	2.8
135.97020	3.1
141.01836	17.0
141.09087	1.4
141.14658	2.2
141.72546	1.3
142.36491	1.0
144.05695	1.3
144.09360	5.9
157.10165	1.5
159.02911	1.2
159.04408	2.1
159.06839	1.9
159.08075	8.3
159.10091	5.2
159.11710	28.1
159.15767	17.9
160.05139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
54.45207	0.5
55.01863	1.2
55.05502	0.7
56.96329	0.7
56.96568	7.8
57.03426	1.7
57.07065	0.9
58.58114	0.7
65.03939	1.1
65.07038	0.6
66.49911	0.6
67.05489	3.3
67.60851	0.5
68.99786	0.9
69.03432	7.6
69.07065	0.7
70.06571	1.9
71.01365	0.7
71.04994	1.2
71.06915	1.9
71.54890	0.7
71.95257	0.9
73.02910	0.7
76.82093	0.6
76.92857	3.7
76.93366	4.2
79.05481	1.7
81.07074	1.6
83.01344	1.2
85.02908	10.0
91.05486	14.2
93.07037	1.2
94.94420	1.9
95.01333	16.0
95.02595	1.6
97.02889	6.2
97.06526	0.7
98.09715	0.7
98.97587	6.4
99.00812	4.9
99.09995	3.0
103.05460	1.5
105.07034	16.5
106.07317	0.8
113.02379	4.4
113.07965	1.6
114.09168	0.8
115.05446	4.1
116.06235	2.6
116.98633	4.5
117.07021	27.6
117.96001	6.7
117.99025	0.6
119.08596	8.1
123.00794	24.3
123.95142	0.6
124.27332	0.6
126.55314	1.4
128.06212	1.1
129.07011	12.2
130.06828	1.2
130.07793	14.2
131.08574	66.0
132.08902	1.3
134.99640	2.7
135.05711	0.9
135.55826	1.2
135.97026	2.4
136.00052	0.7
140.00179	0.9
141.01830	13.6
141.14622	1.0
142.07736	2.0
143.08501	1.1
144.08192	0.7
144.09346	17.3
157.10141	4.5
159.02899	3.0
159.08073	5.3
159.11700	100.0
159.15768	15.0
160.12033	1.7
164.04285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02346	0.2
64.08276	0.2
65.03940	0.5
69.13136	0.2
70.25334	0.5
70.25694	0.6
90.03436	0.3
92.05026	1.8
105.04544	1.9
105.07099	0.2
117.04535	0.3
132.05594	13.0
132.08125	0.4
135.05559	1.7
160.05078	100.0
161.05417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07818	0.6
51.16616	0.5
51.84119	0.6
60.95130	2.5
62.41113	0.6
66.45778	0.6
69.65077	2.5
69.65485	1.4
82.99847	2.8
84.08140	2.7
87.33630	0.6
96.58209	0.6
98.20688	0.6
100.02476	0.7
101.00890	36.7
101.97768	3.1
102.00961	1.7
103.02422	0.8
105.53444	1.4
107.05284	1.2
110.74936	0.6
111.04415	1.0
116.05778	1.4
119.01929	100.0
119.98818	7.9
120.02006	3.9
121.02390	0.8
130.08672	0.8
137.02962	21.9
137.99834	5.6
142.03513	1.4
143.01924	3.0
143.03645	3.6
147.45694	0.6
161.01648	1.2
161.02960	11.3
161.83029	0.6
179.04022	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	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52586	0.3
72.82711	0.2
82.99855	5.0
83.99899	0.3
85.01401	0.3
101.00892	46.3
102.00949	2.2
103.02440	0.5
104.97472	0.2
107.05305	1.3
111.00457	0.4
111.04488	0.6
116.05774	1.5
116.55882	0.4
119.01933	100.0
120.02003	3.8
120.64044	0.2
121.02381	0.5
124.02483	0.5
127.56587	0.3
129.04730	0.4
137.02974	17.0
138.03033	0.6
142.03557	1.6
143.01961	0.5
143.03639	3.1
144.03236	0.4
161.02974	7.6
161.04529	0.7
179.04025	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51644	0.3
55.01873	2.5
55.05504	0.4
56.05015	0.3
56.96557	1.2
57.03437	4.4
58.99859	0.9
59.04979	0.9
59.52178	1.0
61.02928	2.3
62.02464	1.3
67.01855	0.9
67.05473	0.4
68.02634	1.0
68.52700	0.3
68.99780	0.6
69.03077	0.4
69.03433	5.8
69.52431	0.9
70.03762	0.3
70.99869	0.4
71.01327	0.7
71.02992	14.0
71.04981	0.4
71.52240	0.3
71.53065	1.7
72.01691	0.3
72.02867	1.3
72.52964	0.7
73.02917	3.8
74.06059	0.5
77.00916	0.4
77.02970	1.0
77.52180	0.5
78.52962	7.1
79.03020	1.0
79.52808	0.4
80.03509	1.9
81.03404	0.8
82.01445	6.1
82.02679	0.4
82.53780	0.8
82.99836	1.9
83.01360	0.5
83.04980	0.6
84.04510	1.4
84.08125	0.8
84.52948	1.4
84.83280	0.3
85.01406	0.7
85.02426	0.5
85.02908	6.1
86.52692	3.1
87.00826	0.4
87.01900	0.3
87.02734	0.8
87.04467	2.0
87.53465	0.7
88.02690	0.3
92.52708	1.3
93.02751	0.4
94.02672	0.6
95.01304	1.2
95.53224	1.3
97.01411	1.2
97.02885	3.6
97.51909	2.1
98.02042	0.3
98.97585	0.8
99.04456	0.5
100.02487	16.2
101.00887	28.1
101.02359	3.8
101.03425	0.4
101.95034	0.3
102.00984	1.2
102.02271	1.4
102.05532	0.5
103.00645	0.5
103.02458	2.1
103.03959	0.4
105.07050	1.5
106.52428	4.7
107.02522	0.7
107.05269	0.8
107.52294	0.4
109.02826	0.7
110.97581	0.2
111.02982	0.6
111.04430	0.3
113.00954	0.6
113.02374	6.9
114.52167	0.4
115.01241	0.6
115.02452	3.7
115.03915	2.1
115.05397	0.6
115.09496	1.5
115.52982	0.4
116.02599	0.4
116.05786	0.8
116.98614	0.5
117.04006	0.6
118.01094	0.3
118.03535	6.1
119.01926	100.0
119.08568	0.5
119.98795	0.7
120.01994	3.8
120.03304	0.7
120.06581	0.5
121.01644	1.4
121.03462	0.9
123.04082	0.9
124.02487	0.8
125.00963	0.3
125.02453	0.4
125.04543	0.4
127.02475	0.4
127.03964	0.3
129.01848	7.7
129.02777	0.5
129.03970	0.9
130.08614	0.3
131.01849	1.4
133.01686	0.3
133.03479	3.1
133.06473	0.6
133.10153	0.4
134.03540	0.4
136.05148	0.3
137.02963	30.3
137.52415	3.1
137.99883	0.4
138.02408	0.3
138.03162	0.4
138.52228	0.4
139.02596	0.3
139.04243	1.6
141.04025	0.6
141.05148	0.8
142.03505	3.1
143.01912	3.4
143.03574	3.3
144.03252	0.3
144.05042	0.3
144.06572	0.5
145.03484	0.8
146.04974	0.5
146.52945	0.8
147.01437	0.4
147.02982	0.7
147.05072	1.4
151.04582	0.5
152.05006	0.4
154.03558	0.4
155.01981	0.3
156.05042	0.3
157.03497	0.6
158.03844	0.3
159.05069	1.2
160.04579	0.6
161.02988	10.2
161.04556	1.3
161.05801	0.8
161.07080	0.3
161.09813	1.3
161.13596	0.9
165.06181	0.4
168.99710	0.3
171.01408	0.9
175.04517	0.5
177.06145	1.0
179.04015	7.2
184.04604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01875	4.1
55.05513	0.6
56.65095	0.4
56.96557	0.9
57.67629	0.4
66.04718	1.4
70.77168	1.2
73.00938	0.4
77.03919	0.8
77.23946	0.4
79.05495	16.8
81.07059	0.6
88.02199	0.5
89.03908	0.9
90.04710	3.1
91.05486	6.1
92.02629	0.7
95.04969	3.1
97.02911	0.7
101.95031	1.2
102.96938	0.5
103.05474	20.2
105.07033	100.0
106.07389	1.4
107.04961	0.7
113.02341	0.5
115.05455	26.2
116.05778	0.5
117.07024	1.3
118.04163	19.5
118.06550	0.4
119.01913	1.4
119.08553	2.6
119.95953	0.4
120.08136	0.5
128.06126	0.5
130.04147	0.4
131.04924	4.7
131.08560	0.5
132.05746	0.9
133.06496	55.7
133.10120	1.8
134.06845	0.7
143.05028	0.8
143.06047	5.3
143.08545	0.6
146.03604	0.6
158.21899	0.4
161.05977	18.0
161.07048	0.6
161.09622	3.8
161.10799	0.8
161.13307	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01594	0.4
51.02382	0.5
53.03949	2.6
55.01871	4.1
57.90935	0.5
58.55725	0.5
60.33638	0.5
61.51813	0.6
62.53660	0.5
65.03949	0.6
66.04721	1.6
67.08229	0.5
69.60886	3.2
77.03931	1.1
77.18658	0.5
79.05492	14.7
89.03902	0.6
89.21354	0.5
90.04694	3.4
91.05482	3.1
92.65047	0.4
93.39490	0.5
95.04962	2.1
102.04723	0.5
103.05470	20.9
105.07034	100.0
106.07391	1.2
107.04977	0.7
115.05455	24.7
118.04165	17.6
119.08557	0.5
125.35965	0.5
131.04915	3.5
132.05678	0.9
133.06494	57.4
134.06915	0.6
143.04974	0.7
143.06044	6.1
146.03584	0.8
161.05978	16.0
161.07259	1.0
161.09612	1.2
161.13235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03865	1.5
55.01798	3.7
55.05450	1.0
56.42767	0.4
56.96519	0.4
59.81494	0.4
65.03889	0.5
66.04652	1.2
69.07029	0.8
69.54329	3.0
77.03886	0.7
79.05500	16.5
79.05938	0.7
81.03388	0.4
81.07030	0.7
89.03925	0.8
90.04690	2.6
91.04993	0.5
91.05490	6.1
92.02595	0.8
93.07035	0.7
94.04144	0.5
95.04973	2.6
101.97204	0.4
102.04651	0.5
103.05474	21.6
105.03388	0.9
105.04507	1.6
105.07037	100.0
106.07375	1.0
107.04951	1.0
115.05464	26.4
117.07041	1.5
118.04170	17.9
118.32220	0.4
119.01911	0.7
119.08590	20.4
121.10105	0.5
131.04918	4.6
131.08670	0.6
132.05774	1.3
133.06509	54.9
133.10115	5.4
134.06895	0.5
143.05032	0.6
143.06033	6.1
143.08633	1.0
146.03786	1.1
146.07362	0.8
161.03914	0.9
161.06108	19.5
161.08217	1.0
161.09772	5.3
161.10884	1.2
161.13261	5.1
162.05461	0.4
168.88409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	0.5
55.01881	0.5
55.05519	5.9
58.82180	0.3
65.03896	0.2
69.07060	1.6
71.54527	0.3
79.05506	2.6
81.07051	0.7
82.34879	0.3
90.04704	0.6
91.05488	6.8
93.07056	1.5
95.04979	0.4
100.12854	0.3
103.05479	3.6
104.06245	0.4
105.07036	22.2
106.07410	0.5
107.08595	1.1
110.67638	0.3
115.05443	3.6
117.07034	2.1
118.04167	2.4
119.08585	100.0
120.08901	1.2
121.10164	2.0
128.06242	0.3
129.07010	0.5
131.04948	1.0
131.08569	1.6
133.06522	6.4
133.10133	14.8
143.06046	0.5
143.08649	0.4
146.03639	0.6
146.07275	0.6
146.10934	0.8
159.11710	0.5
159.75299	0.3
161.06091	6.9
161.09612	3.6
161.13263	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	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03951	7.9
53.23640	0.9
55.01862	1.3
55.05508	1.7
56.96560	3.9
57.03437	6.1
57.07059	1.7
61.02930	45.0
66.12889	0.9
69.03435	6.8
69.07087	1.3
70.76508	1.9
73.02923	20.7
77.03914	2.0
79.05504	6.8
81.03418	3.3
81.07031	1.2
82.01446	1.4
83.00789	2.3
85.02909	33.8
89.90534	1.0
91.03955	13.8
91.05481	1.9
92.02632	2.7
93.07047	2.2
94.51527	2.0
95.04988	8.0
95.08596	1.1
97.02905	9.6
97.99131	1.0
98.97571	6.5
99.04440	2.2
99.82825	1.0
100.02496	5.8
100.71352	0.9
101.00778	1.2
103.05468	6.7
105.03374	4.0
105.04509	3.4
105.07045	1.9
106.02379	1.2
107.04964	4.0
107.08576	5.6
110.01310	3.0
115.03903	1.1
116.98626	2.3
117.07031	1.6
118.03525	2.7
119.01810	4.8
121.10130	1.8
121.52048	2.2
127.03903	2.7
128.02328	1.9
128.98618	1.1
130.52567	1.6
131.04984	7.5
132.08058	2.2
133.02856	22.1
135.04430	23.1
135.08084	1.2
139.53098	1.9
145.10075	1.7
155.00131	1.1
163.03917	100.0
163.07579	2.8
163.11179	8.5
163.12373	1.4
163.14790	2.3
164.04297	1.6
164.07101	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	163.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03954	6.7
54.45337	0.3
55.01867	1.0
55.05502	0.8
56.96576	2.1
57.03441	3.8
57.07062	1.4
61.02934	17.6
64.51686	0.3
67.05524	0.4
68.56202	0.3
69.03439	3.5
69.07069	0.8
69.19195	0.3
73.02927	8.3
74.00248	0.4
77.03925	1.2
79.05496	6.2
80.26940	0.3
81.03431	1.7
81.07048	1.2
82.01434	0.8
83.00797	0.9
85.02917	14.8
89.00783	0.4
89.06044	0.8
91.03965	6.7
91.05505	1.9
92.01300	1.0
92.02628	2.9
93.07040	2.2
94.51574	1.0
95.04982	7.1
95.08646	0.8
96.01559	0.6
97.02905	4.9
97.99194	0.5
98.97601	2.7
99.04475	0.6
100.02491	2.4
100.51610	0.3
102.02236	0.4
103.05481	13.6
103.52115	0.7
104.83649	0.4
105.03428	3.4
105.04530	3.8
105.07033	1.3
107.04971	3.2
107.07967	0.5
107.08620	5.1
110.01250	0.5
110.97588	0.5
115.03931	0.5
116.52839	0.5
116.98638	0.9
117.07024	1.6
118.03519	1.4
118.06624	0.3
119.01821	2.5
119.04953	0.5
119.08581	0.6
119.52044	0.3
120.02100	0.6
121.06480	1.0
121.10141	1.7
121.52058	0.5
123.04084	0.4
127.03905	1.3
128.02322	0.8
128.98615	0.4
130.06551	0.9
130.07805	0.4
130.52614	1.0
131.04947	17.6
132.08104	0.9
133.02869	20.2
134.99706	0.4
135.04437	19.8
135.08105	0.9
135.11694	1.2
138.03181	0.7
139.53131	0.5
140.00157	0.4
145.06499	0.8
145.10161	1.7
146.99669	0.3
158.01273	0.4
158.99658	0.6
159.63524	0.4
163.03923	100.0
163.07515	5.7
163.11150	5.1
163.12373	0.8
163.14850	3.1
164.04292	1.2
164.07059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17023	1.2
53.03944	8.7
57.03444	8.9
57.07076	1.7
61.02934	61.9
69.03445	8.0
69.07042	1.4
69.89621	5.7
73.02518	1.5
73.02926	27.3
79.05495	5.6
79.05948	1.6
81.03436	2.8
85.02914	47.3
87.04510	1.4
91.03977	24.3
91.05492	3.0
92.02629	3.6
93.07059	5.7
94.51524	2.0
95.04999	6.8
97.02905	14.5
98.97578	2.1
99.04460	3.2
100.02483	2.7
103.05469	18.8
103.52037	1.7
105.02099	1.7
105.03383	3.4
105.04527	5.9
105.07039	2.1
107.04986	10.3
107.08601	8.5
108.97240	1.3
113.67216	1.5
113.94683	1.8
117.06998	1.8
119.01823	1.9
121.10137	4.4
127.03921	2.5
130.06494	1.9
131.04944	23.9
133.02881	19.9
135.04437	18.3
135.08060	2.5
145.04874	1.7
145.06537	2.4
145.10020	1.9
155.33974	1.3
159.21481	1.2
163.03928	100.0
163.07584	8.5
163.11198	11.9
163.12376	3.0
163.14832	4.4
169.43437	1.4
180.78259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
52.90747	0.7
53.03951	6.5
54.24499	0.7
54.24819	0.6
54.90450	0.6
55.01869	0.8
55.05494	1.3
56.96548	1.9
57.03439	3.3
57.07069	0.6
60.62113	0.7
61.02929	29.6
67.05479	0.6
69.03434	4.3
69.07095	3.4
71.04140	0.6
71.54894	1.1
72.70451	0.7
73.02560	0.9
73.02925	12.9
77.03925	1.4
79.05492	7.2
81.03404	2.0
81.07049	3.0
81.87519	0.6
85.02908	21.1
91.03961	8.1
91.05479	2.6
92.02632	2.4
93.07047	6.2
94.51546	1.3
95.04976	6.9
95.08617	2.9
97.02898	5.7
98.97578	1.6
99.04449	1.7
100.02489	2.0
101.02380	0.6
103.05461	10.4
105.03399	3.8
105.04517	4.6
105.07024	2.1
107.04942	3.9
107.08596	11.0
110.01296	0.9
117.07029	2.1
118.03500	1.0
120.02098	0.8
121.06539	1.1
121.10128	3.9
127.03898	1.0
130.06500	0.7
130.52563	1.1
131.04921	12.5
133.01852	0.9
133.02863	19.6
135.04424	22.6
135.08061	1.0
135.11681	2.8
145.04958	0.8
145.06512	1.4
145.10124	1.2
158.99669	0.8
159.21051	0.8
163.03911	100.0
163.07481	3.5
163.11113	3.4
163.12440	1.4
163.14819	14.8
164.04286	1.8
164.07111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03753	0.5
53.03952	6.0
55.01865	1.3
55.05502	1.0
55.80753	0.4
56.96572	2.2
57.03442	3.0
57.07073	1.0
61.02933	22.2
65.03928	0.5
67.05540	0.4
69.03438	3.6
73.02921	9.2
77.03921	1.5
79.05499	6.4
81.03413	1.4
81.07046	0.7
82.01425	0.9
83.00783	1.0
83.04986	0.9
85.02914	17.7
86.51785	0.4
89.06040	0.8
91.03962	6.8
91.05504	2.8
92.01308	0.5
92.02638	2.9
93.07043	3.5
94.51560	1.4
95.04969	6.2
95.08608	0.8
96.01546	1.2
97.02893	5.2
98.97589	2.2
99.04449	1.3
100.02488	2.4
103.05476	13.1
105.03409	3.1
105.04514	3.0
105.07030	1.8
106.06580	0.9
107.04967	3.8
107.08613	6.0
109.02903	0.7
110.01270	0.9
110.97598	0.7
115.05473	0.5
116.52790	0.5
116.98619	0.8
117.05614	0.5
117.07026	1.8
118.03526	1.1
119.01791	2.5
119.04974	0.8
119.08597	0.9
121.06528	1.0
121.10178	2.5
121.52048	0.6
127.03904	1.6
128.02310	0.9
128.98599	0.5
130.06563	0.5
130.52608	1.4
131.04938	17.0
132.08102	1.3
133.02867	20.5
135.04431	19.0
135.05258	0.3
135.08078	2.5
135.11703	2.3
136.04825	0.4
139.53140	0.7
145.04973	0.6
145.06499	1.3
145.10135	3.4
163.03918	100.0
163.07523	6.1
163.11159	8.3
163.12338	1.1
163.14838	2.6
164.04216	1.5
164.07053	1.8
168.92906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.8
53.03952	7.1
53.16844	0.7
54.30912	0.6
55.01854	1.2
55.05509	1.2
55.59103	0.6
56.96572	5.2
57.03446	7.0
57.07071	1.7
61.02932	35.0
68.30392	0.6
69.03435	5.6
69.07067	1.3
71.04971	1.0
73.02919	16.6
77.03925	1.8
79.05507	6.7
81.03400	2.1
81.07042	1.4
82.01440	2.1
83.00783	1.7
84.96020	0.7
85.02908	28.0
87.01064	0.8
89.06060	0.8
91.03961	13.8
91.05468	2.5
92.01308	0.9
92.02605	2.4
93.07034	2.0
94.51556	3.1
95.04979	7.2
96.01568	1.1
97.02892	7.4
98.97583	8.4
99.04436	2.5
100.02492	5.7
103.03979	1.1
103.05460	4.5
103.52070	1.3
105.02069	2.0
105.03394	5.2
105.04521	3.3
105.06995	1.6
107.04996	3.5
107.08582	4.4
109.02907	0.9
110.01288	2.4
110.97569	0.9
114.89001	0.8
116.52883	0.8
116.98628	3.1
117.07025	1.4
118.03538	1.7
119.01823	4.9
119.04926	1.5
120.02082	0.8
121.06541	1.6
121.10171	1.6
121.52092	0.9
123.04079	0.9
127.03937	2.6
128.02330	3.1
128.98595	1.4
130.06583	1.1
130.52643	3.5
131.04933	6.0
132.08098	1.7
133.02863	22.4
135.04424	20.5
135.08054	1.4
139.53030	1.3
140.00165	1.3
142.03333	0.9
145.05016	0.8
145.06488	1.2
145.10072	0.9
158.01292	1.4
163.03915	100.0
163.07500	3.4
163.11211	5.6
163.12282	1.2
163.14835	2.3
164.04276	1.6
164.07098	2.3
177.00716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	0.4
53.03945	1.2
55.05505	1.1
56.96560	0.4
57.03441	0.7
57.07074	0.9
61.02911	0.7
65.03946	0.4
68.99805	0.5
69.03428	0.7
69.07069	1.6
71.53875	0.5
73.02921	0.8
77.03910	0.7
79.05497	2.7
79.60468	0.3
81.06647	0.3
81.07049	1.7
82.01458	0.3
83.08604	0.6
85.02916	1.2
89.03918	0.7
89.06038	0.9
91.05476	1.7
93.07043	3.3
94.51599	0.4
95.04972	1.4
95.08626	1.0
97.02930	0.4
98.97601	0.8
99.04462	0.4
100.02497	0.7
103.05470	67.5
104.05801	0.7
105.04510	0.8
105.07049	1.8
107.04299	0.4
107.04965	5.4
107.08596	7.0
110.01295	0.4
117.03342	0.4
117.07056	0.8
119.01743	0.3
119.08578	0.7
120.05758	0.6
121.02840	1.6
121.06516	0.4
121.10149	2.9
130.06546	0.4
131.04930	100.0
132.05255	1.2
132.08089	0.4
133.02885	0.9
135.04396	2.4
135.08051	1.6
135.11720	1.6
145.02856	0.8
145.06508	0.6
145.10126	1.6
148.05205	0.5
163.03915	24.6
163.07545	54.3
163.11180	4.0
163.14799	3.3
164.04312	0.5
164.08020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02377	0.7
53.03947	2.0
55.01868	0.9
55.05513	1.6
56.96570	1.6
57.03431	1.5
57.07075	1.8
60.42065	0.4
61.02926	1.9
65.03960	0.9
67.01857	0.8
67.05512	1.0
67.36263	0.5
68.99786	1.5
69.03427	3.4
69.07062	1.6
70.84998	0.8
71.04997	0.7
73.02923	1.2
77.03942	1.1
79.01861	1.4
79.05497	5.8
81.03418	1.3
81.07057	2.1
82.01438	0.8
83.08639	1.0
85.02917	2.7
86.42845	0.5
89.03931	3.7
89.06032	1.5
91.05493	4.0
92.02618	0.7
92.67069	0.4
93.03442	0.7
93.07044	7.8
94.51576	0.8
95.04979	3.0
95.08610	1.7
96.01541	0.5
97.02903	0.5
98.97601	2.4
99.04449	1.0
100.02502	2.5
100.03055	0.4
100.09415	0.5
100.11250	1.4
101.00820	0.4
103.05473	61.5
105.02045	0.7
105.03412	1.0
105.04502	1.1
105.07039	4.7
106.06565	0.6
107.04961	10.1
107.07050	0.5
107.08601	8.9
107.52401	0.5
115.05468	1.6
116.52857	0.5
116.98607	1.1
117.03378	3.0
117.05524	1.1
117.07020	3.1
118.03512	1.3
119.01795	1.9
119.04961	1.2
119.08601	1.3
121.02888	6.4
121.06500	2.8
121.10152	4.1
128.02293	0.7
130.06537	0.7
130.07750	0.7
130.52618	0.6
131.04936	82.0
132.05264	1.2
132.08089	1.8
133.02876	4.1
134.99751	0.8
135.04427	12.3
135.08055	4.2
135.11685	3.2
145.02879	3.1
145.03900	0.8
145.06496	2.0
145.10126	4.7
148.05202	1.0
148.08864	0.6
156.12962	0.5
163.03917	100.0
163.07544	32.2
163.08577	1.5
163.11179	14.2
163.12331	1.1
163.14833	3.4
164.04292	1.5
164.06973	2.4
181.02812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02359	0.6
53.03949	3.9
53.14999	0.5
54.77221	0.6
55.01864	1.0
55.05513	3.1
56.96557	2.4
57.03438	2.9
57.07062	1.6
57.29609	0.5
59.21189	0.7
61.02921	3.7
65.03950	1.4
67.05489	1.8
68.99776	1.5
69.03084	1.1
69.03431	13.3
69.07056	2.2
70.45490	0.5
71.04987	1.4
71.54150	0.8
72.50652	0.5
73.02908	2.3
76.76820	0.5
77.03918	1.5
79.01858	1.3
79.05495	9.9
81.03413	1.5
81.07054	5.1
82.01435	0.9
83.00766	1.2
83.04974	1.2
85.02897	4.0
85.72302	0.6
89.03919	4.3
89.06020	1.6
91.03922	0.7
91.05483	13.8
91.06361	0.6
93.07046	46.2
94.07340	0.7
94.51540	1.6
95.04970	4.2
95.08595	2.3
96.01536	0.7
97.02901	1.0
97.99258	0.6
98.97588	3.7
99.04425	1.0
100.02494	4.3
103.05470	48.7
103.99374	0.5
104.05789	0.7
105.02106	0.9
105.03397	1.1
105.04545	1.5
105.06386	1.1
105.07031	12.2
106.06565	0.8
107.04962	9.2
107.08594	25.8
109.06529	0.6
110.01287	1.1
115.05440	1.6
116.98536	0.5
117.03378	2.6
117.05666	0.6
117.07028	5.7
118.03542	1.4
119.01783	2.1
119.04929	1.0
119.08581	5.6
121.02876	6.1
121.06496	5.6
121.10152	7.1
122.09679	5.4
128.02306	1.3
128.98601	0.7
130.06564	0.9
130.07787	3.4
130.52576	1.7
131.04933	60.7
132.05241	0.8
132.08136	1.0
133.02844	5.2
133.06429	0.6
133.10115	0.6
135.04419	13.2
135.08058	4.6
135.11694	8.1
136.07657	0.6
140.00252	1.3
143.08582	0.7
145.02840	3.4
145.04944	0.7
145.06461	2.1
145.10127	27.6
148.05215	0.9
160.08328	0.6
163.03911	100.0
163.07539	21.0
163.11177	95.8
163.14786	4.5
164.04285	1.5
164.07056	2.2
164.10724	2.3
177.00731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03948	2.8
54.03465	5.7
55.05517	4.9
57.07075	1.4
61.81416	1.3
67.05508	5.3
69.07076	24.1
70.22920	3.4
72.10056	1.4
79.05503	17.5
81.04556	7.0
81.07068	30.4
82.05336	5.8
83.08619	5.4
91.05499	8.6
93.07053	39.5
93.07638	2.4
95.04967	3.1
95.08615	23.3
105.07032	3.9
107.08603	100.0
109.10173	1.6
119.06100	1.9
119.08611	1.8
121.10160	35.1
122.07149	8.2
123.07941	6.2
132.08057	2.2
133.02858	3.5
135.04404	4.1
135.11688	11.7
136.08717	1.6
140.08313	1.8
145.10100	1.6
163.03931	19.1
163.08633	2.2
163.09799	12.4
163.11174	3.3
163.14832	80.8
164.07071	2.6
164.15263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03954	2.5
55.05519	9.3
56.96554	0.7
57.03442	0.7
57.07076	5.8
59.59112	0.5
63.27319	0.6
65.03948	0.7
67.05518	2.6
69.03448	1.4
69.07078	28.6
71.08662	0.6
73.02909	0.6
77.03947	0.7
79.05502	16.7
81.07069	6.9
83.08627	10.8
85.02906	1.1
85.88180	0.5
88.22456	0.6
89.06085	0.6
91.05495	13.0
93.07057	31.9
94.51580	0.6
95.04983	2.6
95.08614	8.9
98.20771	2.1
98.97593	0.8
100.02477	0.8
103.05469	9.9
103.83213	0.6
104.04197	0.6
105.04485	0.8
105.07047	14.8
107.04950	4.2
107.08607	100.0
108.09389	2.1
108.38773	0.6
109.06531	2.4
109.10165	2.0
114.02618	0.7
117.05487	0.8
117.07031	1.8
119.01807	0.8
119.06086	1.2
119.08598	9.0
120.05714	0.7
120.09355	1.2
121.10158	86.0
122.10427	1.0
123.08081	2.1
131.04945	13.4
132.08118	1.4
133.02887	2.3
133.07681	1.0
133.10162	1.2
135.04445	3.6
135.08086	2.2
135.11711	38.1
145.06476	0.8
145.10149	2.1
163.03931	15.2
163.06374	0.7
163.07582	5.2
163.11220	6.0
163.14839	42.8
164.07076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46474	0.5
69.36789	4.1
82.01447	1.9
82.03831	0.5
82.76966	0.5
82.97597	0.5
82.99842	13.7
84.61145	0.5
86.71342	0.5
100.02479	1.8
101.00883	82.4
102.00979	2.2
107.97617	0.5
108.47024	0.5
111.00431	0.6
119.01922	100.0
120.02058	1.7
121.02394	0.7
124.02457	16.6
124.03369	0.8
125.02673	0.7
137.02966	12.5
137.04018	0.9
142.03500	92.3
143.03592	2.6
160.04562	14.0
165.05070	1.0
172.11855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51221	0.4
57.03450	0.8
70.11914	2.2
70.12269	0.7
79.47007	0.5
82.01449	1.8
82.99847	10.9
87.54025	0.5
100.02486	2.0
101.00886	74.1
102.00967	1.4
111.00522	0.7
119.01925	91.1
120.02023	2.1
124.02454	17.1
137.02963	10.4
142.03503	100.0
143.03572	1.4
146.26210	0.6
160.04570	14.1
165.05078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.7
71.44134	0.9
82.01462	1.0
82.99853	11.9
87.64819	0.6
99.30427	0.7
100.02473	1.8
101.00890	66.4
102.00994	0.8
111.00419	0.9
119.01932	98.2
120.02026	1.5
124.02468	15.9
126.01501	0.7
128.20213	0.6
137.02957	11.1
142.03510	100.0
143.03609	1.3
159.20309	0.6
160.04565	15.1
165.05165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.19185	0.7
51.21093	0.7
53.03926	1.8
53.78237	0.8
55.01867	1.5
55.05514	7.2
57.03438	4.7
57.07073	4.1
58.09649	0.7
59.05001	0.8
61.02940	1.7
65.03945	1.7
67.05505	22.3
68.05844	1.0
68.82876	0.7
69.03433	15.0
69.07078	4.9
70.24059	0.8
70.64724	0.7
70.65057	1.8
71.04995	1.5
71.08643	1.8
79.05491	8.8
79.22748	0.7
81.03409	3.0
81.07059	24.8
82.99825	1.3
83.04990	5.2
83.08590	2.3
85.02915	5.1
91.05484	11.9
93.07047	13.0
95.04985	7.1
95.08610	32.1
97.06564	1.5
99.04446	2.2
101.00869	7.7
101.02554	1.6
103.03956	1.0
103.05479	1.4
105.07036	16.2
107.08590	13.9
109.06518	18.9
109.10162	38.1
111.04418	1.5
117.07007	1.1
119.01923	15.9
119.04945	8.5
119.08578	19.9
121.06479	2.2
121.09312	1.5
121.10145	19.8
122.07274	6.1
123.04436	3.6
123.08067	13.3
123.11710	17.6
124.02433	1.4
129.05461	1.7
133.02861	1.2
133.06462	2.3
137.02933	1.4
137.06035	4.1
137.09619	100.0
137.13225	2.6
138.09988	1.0
142.03502	14.8
147.04419	22.2
147.06468	1.2
147.08073	1.5
147.11678	15.8
150.10402	3.6
160.04523	3.4
165.05479	3.8
165.07674	1.3
165.09109	6.4
165.12756	51.5
165.16423	7.3
166.08632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03953	0.8
55.01883	1.1
55.05516	1.9
57.03445	2.4
57.07079	1.8
61.02929	0.4
65.03958	0.4
67.05510	5.2
69.03427	2.1
69.07070	3.0
70.82968	0.8
71.04992	0.6
71.08647	1.3
79.05501	4.0
79.05914	0.5
81.03437	0.8
81.07062	11.1
82.99847	0.4
83.04980	1.9
83.08633	1.4
85.02914	0.8
91.05482	5.5
93.07052	8.7
95.04964	3.6
95.08612	9.2
97.06518	0.8
99.04449	0.3
101.00859	1.7
105.07043	6.9
107.04955	0.8
107.08599	7.4
109.06521	13.3
109.10158	8.9
117.07013	0.9
119.01913	2.9
119.04940	1.3
119.07944	0.2
119.08585	12.3
121.06512	1.1
121.10152	17.1
122.07291	6.3
123.08076	7.2
123.11700	2.8
124.02499	0.4
135.08063	1.6
137.09622	100.0
137.13135	1.7
138.09976	1.0
142.03534	2.9
147.04419	3.2
147.11703	4.7
150.10414	3.7
150.51955	0.3
151.37260	0.3
160.04620	0.5
160.47722	0.4
165.09134	1.4
165.12761	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	165.1277
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03957	3.7
53.56918	0.5
55.01865	1.6
55.05289	0.6
55.05519	5.3
57.03444	4.5
57.07090	3.3
59.04988	1.7
61.02934	2.7
62.87033	0.5
64.96096	0.5
65.03931	1.5
67.05513	15.7
69.03439	29.0
69.07073	6.3
71.04995	1.7
73.02913	0.6
75.64066	0.5
79.05082	0.6
79.05503	7.2
81.02993	1.1
81.03431	16.6
81.07066	18.8
82.01445	0.5
82.99859	1.7
83.01358	0.8
83.04991	9.8
83.08612	1.3
85.02918	6.2
87.04482	0.7
91.03893	0.6
91.04899	0.8
91.05491	15.4
93.07061	7.2
95.04987	14.6
95.08623	17.5
97.02927	0.6
97.06494	0.8
99.04453	1.7
100.02482	0.9
101.00895	12.2
101.02576	1.8
103.03944	1.2
103.05473	1.9
105.06316	0.6
105.07039	15.9
107.04978	1.5
107.08608	10.3
109.06534	17.7
109.10170	12.1
110.07320	1.5
111.04451	2.9
115.05516	0.5
117.07043	1.3
118.47646	0.5
119.01940	28.3
119.03665	0.9
119.04962	16.3
119.08596	16.2
119.09296	0.4
120.02016	0.6
120.08112	0.7
121.06534	1.4
121.10164	11.3
122.03707	0.8
122.07318	4.4
123.04436	3.3
123.07197	1.1
123.08089	19.9
123.11716	10.7
124.02456	3.1
127.72715	0.6
129.05528	1.7
132.09386	0.6
133.02873	2.4
133.06525	4.9
133.07518	1.0
135.08089	0.9
137.02989	6.7
137.06015	6.1
137.09631	36.7
137.13208	3.8
142.03522	30.8
142.04430	0.4
145.10139	0.7
147.04428	30.9
147.06351	1.2
147.08075	2.1
147.10646	0.9
147.11703	7.6
150.10451	0.9
150.20395	0.6
160.04588	7.0
165.01813	0.7
165.05563	5.7
165.07616	2.4
165.09129	43.8
165.12776	100.0
166.13139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
56.96563	0.3
61.51007	0.2
66.99744	0.2
67.51905	0.2
69.07046	0.2
70.11185	0.4
70.11576	0.4
79.05498	0.9
84.00803	0.2
91.05482	0.5
93.07048	2.0
101.00844	0.2
102.00980	0.3
103.05476	8.2
107.04957	2.5
111.02062	0.2
119.01907	0.4
120.02044	0.5
120.08112	100.0
121.06518	0.2
121.08484	1.0
131.04922	2.3
142.68977	0.2
143.01897	0.2
143.03668	0.7
145.06161	0.2
149.05986	1.0
166.08655	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03150	0.4
53.03939	1.3
55.05512	0.6
56.96561	0.4
57.03431	0.3
64.34033	0.3
65.03943	0.4
66.04723	0.7
67.05499	1.3
69.03448	0.5
69.07057	0.8
70.58566	1.1
71.04978	0.4
77.03918	0.7
78.04721	11.6
79.05503	4.8
81.03419	0.5
81.07061	1.7
83.04975	0.5
83.08626	0.4
84.96024	0.4
85.02909	0.4
91.05476	1.4
93.03418	0.8
93.07061	2.5
94.04201	0.6
95.04985	1.7
95.08618	1.6
96.05736	0.5
97.06544	0.7
103.00645	0.6
105.03413	1.0
105.04507	0.5
106.04191	4.6
107.04973	3.8
107.08617	2.4
109.02889	1.4
109.06503	0.9
109.10159	0.9
111.08110	0.7
120.02051	0.4
121.01679	1.1
121.06532	0.7
121.10147	2.2
122.03655	1.2
123.04443	20.7
123.11705	0.7
124.05241	6.6
125.06019	0.7
125.09611	0.5
134.03651	1.0
135.04425	0.9
137.05962	1.0
139.07553	2.5
144.03249	0.8
149.02344	0.9
149.09653	0.6
149.13318	0.5
150.03127	0.4
151.03920	3.9
152.04706	4.5
167.07054	100.0
168.07370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.41779	0.3
53.03944	1.7
55.01861	1.4
55.05509	0.9
56.96549	0.9
65.03931	0.9
66.04704	0.6
66.13716	0.4
67.05499	1.1
69.03426	1.4
69.07060	0.7
69.93932	0.8
69.94324	0.6
71.05012	0.4
73.02896	0.4
77.03931	0.7
78.04713	6.7
79.05495	7.5
81.03419	0.6
81.07059	2.2
83.04974	1.4
84.95566	0.4
84.96036	0.9
84.99588	0.3
85.02908	0.4
90.73305	0.3
91.05479	5.7
93.03443	0.4
93.07043	6.4
94.04210	0.6
95.04983	2.0
95.08591	1.0
96.05779	0.4
97.06525	1.0
98.21362	0.4
98.97591	0.5
103.00648	2.9
103.05428	0.5
105.03361	0.5
105.04502	0.4
105.07053	0.9
106.04164	3.5
107.04964	3.1
107.08624	1.6
109.02860	0.7
109.06491	0.7
109.10161	0.4
110.03632	0.4
110.10412	0.3
111.04443	0.6
111.08123	0.5
119.01837	0.3
121.01672	5.6
121.02887	2.8
121.06501	5.2
121.10154	1.6
122.03637	0.6
123.04430	13.1
123.08065	1.0
124.05220	4.7
125.05994	0.7
125.09566	0.4
126.07640	0.4
129.16306	0.3
131.08609	0.4
134.03612	1.1
135.04430	0.7
137.05991	0.8
139.02722	0.9
139.07538	4.3
143.58775	1.3
144.03212	5.0
144.04138	0.5
144.08580	0.4
149.02332	1.2
149.04932	0.4
149.06004	3.4
149.09610	0.8
151.03926	3.0
152.04698	2.5
155.09560	0.5
155.59441	0.5
162.04301	1.4
163.52213	0.3
167.07040	100.0
168.07387	1.4
174.78970	0.3
180.89883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	tert-Butylhydroquinone
Peak:m/z	Relative Intensity
50.41789	0.7
53.03945	1.9
55.01867	3.0
55.05516	20.9
56.97924	0.8
57.03436	5.8
57.07077	6.1
59.05008	9.1
59.29818	0.6
65.03938	1.1
67.05502	5.7
69.03437	9.6
69.07072	5.6
69.85774	3.3
71.01341	0.7
78.04723	2.9
79.05498	12.9
79.05924	1.4
81.03418	1.2
81.07055	14.1
83.04985	16.2
83.08623	34.8
91.05480	7.5
93.03426	0.9
93.07049	19.8
95.04970	2.6
95.08607	8.0
97.02890	3.0
97.06533	3.2
97.10187	1.3
103.00642	1.8
103.05497	1.1
105.07043	9.3
106.04154	1.9
107.04963	6.5
107.08598	27.1
109.06532	5.7
109.10155	3.7
110.82971	0.6
111.04446	100.0
111.08041	1.8
112.04804	0.8
113.71703	0.8
119.08566	4.6
121.01661	2.7
121.06509	3.5
121.10150	31.4
122.03627	0.7
122.07283	2.8
123.04420	6.0
123.08070	7.0
123.11723	1.2
124.05219	2.6
125.05965	1.8
125.09614	5.6
131.08557	3.0
137.05943	0.8
137.09616	17.3
137.10602	1.5
139.07549	1.9
139.11145	3.9
144.03239	2.5
147.09143	1.7
149.09618	8.9
151.03917	1.9
152.04736	0.9
167.03380	1.0
167.05646	1.6
167.07050	26.0
167.10677	14.5
167.14363	1.1
185.20432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03936	2.5
55.01858	1.5
55.05515	25.2
56.96575	0.5
57.03440	1.2
57.07075	1.6
59.05008	3.8
59.26527	0.5
65.03934	1.0
66.04734	0.7
67.05508	9.2
69.03432	8.5
69.07078	8.2
69.52757	3.2
71.04990	5.8
73.06551	2.1
78.04716	11.4
79.05497	11.2
81.03403	1.3
81.07060	13.5
83.04985	28.3
83.08618	12.8
84.96035	1.5
85.06561	3.0
90.68710	0.6
91.05482	4.2
93.03416	0.7
93.07048	13.8
94.04177	1.6
95.04968	2.8
95.08608	15.5
96.05753	1.8
97.06532	3.6
97.07093	0.6
97.10176	3.4
98.21574	0.9
99.08070	0.9
101.07549	0.6
103.00613	1.5
105.03385	1.8
105.07008	2.7
106.04176	5.9
107.04973	6.6
107.08605	15.1
108.05717	1.1
109.02908	1.3
109.06522	2.3
109.10165	11.0
111.04430	1.8
111.08082	9.8
111.08778	1.0
112.08865	2.3
113.09661	1.0
119.08576	0.7
121.01661	4.1
121.02911	1.0
121.06515	1.7
121.08408	0.5
121.10149	12.1
122.03658	1.3
123.03566	1.2
123.04441	21.1
123.08047	2.3
123.11715	5.5
124.05215	7.8
125.05962	1.3
125.09632	7.4
126.02245	0.5
131.08641	1.0
134.03680	1.3
135.04422	1.8
137.05974	1.5
138.03113	0.8
139.02696	0.7
139.07556	8.3
139.11217	1.0
144.03242	3.5
147.76825	0.5
149.02333	1.4
149.06017	1.1
149.09592	2.1
149.13284	7.2
151.03889	4.2
152.04703	4.9
162.45419	0.5
167.03374	1.8
167.07047	100.0
167.10660	4.3
167.14319	19.9
168.07381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00286	1.1
53.03938	3.0
55.01867	2.3
55.05517	9.2
57.03425	1.3
57.07077	3.3
57.89125	1.1
59.04998	3.2
60.68656	1.0
63.39503	1.1
65.03936	1.5
67.05514	19.3
69.03418	2.6
69.06728	1.4
69.07076	16.3
70.70156	3.3
71.05002	27.6
73.06561	13.2
78.04725	12.6
79.05508	17.2
81.03418	1.7
81.07067	30.3
83.04984	2.4
83.08632	6.8
84.96026	2.3
85.06554	2.6
90.96744	1.0
91.05514	5.8
93.07053	32.6
94.04186	1.1
95.04971	4.8
95.08617	68.6
95.88988	1.0
96.05749	1.4
97.02877	1.1
97.06529	3.6
102.18202	1.1
103.00638	2.7
105.03409	1.2
105.07044	3.3
106.04173	5.2
107.04993	6.7
107.07881	1.8
107.08607	34.4
109.06501	2.3
109.10163	16.6
111.04456	1.7
111.08092	4.7
121.01681	5.8
121.06520	1.8
121.10152	20.7
122.03626	1.8
123.04441	20.6
123.08070	1.3
123.11686	7.1
124.05237	8.0
125.09641	2.3
135.04411	1.4
136.89078	1.1
137.05937	1.5
139.07541	5.7
142.78654	1.1
144.03249	3.8
149.02373	1.8
149.09613	3.3
149.13272	23.2
151.03917	3.7
152.04674	4.1
158.88741	1.1
167.07066	100.0
167.10728	3.8
167.14322	13.2
168.07497	1.3
182.78589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10210	0.4
53.03941	1.2
54.09277	0.4
55.01878	0.7
55.05510	4.6
56.96554	1.8
57.03433	1.1
57.07058	1.2
57.42926	0.4
59.04998	1.0
59.48538	0.4
63.81604	0.4
65.03931	0.7
66.04714	0.6
67.05505	5.0
69.03416	0.7
69.07082	4.1
69.98167	1.7
71.04993	7.0
73.06544	2.6
77.03931	0.5
78.04267	0.7
78.04714	11.2
79.05495	8.9
81.03426	0.8
81.07058	9.1
83.04972	1.9
83.08600	1.8
84.96033	1.7
85.06549	1.0
91.05481	3.2
93.03410	0.7
93.07050	9.6
94.04189	0.5
95.04986	2.6
95.08610	16.5
96.05746	1.1
97.06524	1.3
97.10181	0.5
103.00641	1.5
105.03406	0.9
105.04511	0.7
105.07000	0.9
106.04173	4.4
107.04961	4.6
107.08598	11.4
109.02867	1.5
109.06512	1.7
109.10152	4.5
109.76194	0.4
111.04481	1.0
111.08079	1.9
119.97314	0.7
120.02038	0.5
121.01668	4.6
121.06510	1.5
121.10149	6.8
121.10955	0.8
122.03639	1.7
123.04432	21.0
123.08052	0.9
123.11710	2.0
124.05220	6.7
125.05986	0.9
125.09620	1.4
126.06038	1.6
128.97784	0.5
129.56648	0.4
131.39059	0.4
134.03633	1.8
135.04404	1.2
135.06573	1.3
137.05991	1.4
139.02734	0.5
139.03877	0.8
139.07568	3.6
139.11176	0.5
140.39897	0.5
144.03214	3.2
146.57379	0.5
149.02357	1.1
149.09636	1.1
149.13264	5.8
150.09044	0.5
151.03909	4.6
152.04704	4.9
162.04309	0.6
167.07042	100.0
167.10585	2.0
167.14293	4.1
168.04228	0.7
168.07393	1.0
168.75160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01858	1.5
55.05515	25.2
56.96575	0.5
57.03440	1.2
57.07075	1.6
59.05008	3.8
59.26527	0.5
65.03934	1.0
66.04734	0.7
67.05508	9.2
69.03432	8.5
69.07078	8.2
69.52757	3.2
71.04990	5.8
73.06551	2.1
78.04716	11.4
79.05497	11.2
81.03403	1.3
81.07060	13.5
83.04985	28.3
83.08618	12.8
84.96035	1.5
85.06561	3.0
90.68710	0.6
91.05482	4.2
93.03416	0.7
93.07048	13.8
94.04177	1.6
95.04968	2.8
95.08608	15.5
96.05753	1.8
97.06532	3.6
97.07093	0.6
97.10176	3.4
98.21574	0.9
99.08070	0.9
101.07549	0.6
103.00613	1.5
105.03385	1.8
105.07008	2.7
106.04176	5.9
107.04973	6.6
107.08605	15.1
108.05717	1.1
109.02908	1.3
109.06522	2.3
109.10165	11.0
111.04430	1.8
111.08082	9.8
111.08778	1.0
112.08865	2.3
113.09661	1.0
119.08576	0.7
121.01661	4.1
121.02911	1.0
121.06515	1.7
121.08408	0.5
121.10149	12.1
122.03658	1.3
123.03566	1.2
123.04441	21.1
123.08047	2.3
123.11715	5.5
124.05215	7.8
125.05962	1.3
125.09632	7.4
126.02245	0.5
131.08641	1.0
134.03680	1.3
135.04422	1.8
137.05974	1.5
138.03113	0.8
139.02696	0.7
139.07556	8.3
139.11217	1.0
144.03242	3.5
147.76825	0.5
149.02333	1.4
149.06017	1.1
149.09592	2.1
149.13284	7.2
151.03889	4.2
152.04703	4.9
162.45419	0.5
167.03374	1.8
167.07047	100.0
167.10660	4.3
167.14319	19.9
168.07381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75351	0.6
53.03935	2.3
53.88308	0.5
55.01867	1.9
55.05305	0.5
55.05519	5.3
56.96555	1.0
57.03424	0.9
57.07074	1.2
58.73170	0.6
59.04987	0.6
65.03937	1.2
66.04702	0.6
67.05507	7.5
68.99787	1.4
69.03422	2.0
69.07073	6.2
71.04997	7.3
71.54475	0.5
73.06563	3.3
75.13776	0.5
78.04719	11.5
79.05496	10.5
81.03415	0.7
81.07062	9.1
83.04989	4.0
83.08625	2.2
84.96035	1.7
85.06532	0.9
91.05488	3.2
93.03411	1.0
93.07047	17.3
94.04208	1.1
95.04965	3.2
95.08612	20.7
96.05730	1.3
97.06551	4.1
103.00648	2.0
103.35891	0.5
105.03405	3.1
105.04510	1.0
105.07035	2.7
106.04160	4.6
107.04965	6.4
107.08598	14.3
108.05725	0.8
109.02883	1.3
109.06511	1.7
109.10156	5.6
111.04458	1.8
111.08087	2.4
117.94003	0.5
119.75311	0.6
121.01663	4.8
121.02862	1.5
121.06538	2.0
121.10149	14.5
122.03649	1.1
123.04432	20.1
123.05334	1.1
123.08057	2.1
123.11742	3.3
124.05241	8.1
125.05999	1.5
125.09635	2.6
131.08521	0.5
134.03625	0.9
135.04427	1.5
137.05992	1.0
139.02803	1.2
139.03905	22.1
139.07547	9.9
139.11198	1.1
144.03217	4.8
149.02362	1.8
149.06017	1.3
149.09636	2.3
149.13269	8.1
150.09120	0.9
151.03931	4.4
152.04678	4.7
155.09042	0.5
162.04295	0.8
167.03365	2.3
167.07048	100.0
167.10599	4.4
167.14293	5.3
168.07381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03940	2.1
55.01881	4.2
55.02110	0.7
55.05516	7.8
56.96571	8.5
57.03439	1.6
59.05004	0.7
59.24757	0.7
65.03944	7.4
67.01890	0.6
67.05509	23.7
68.99792	2.1
69.03437	8.2
69.07078	1.4
69.19037	6.1
71.05001	1.9
74.73106	0.7
78.68792	0.7
78.85912	0.7
79.05498	6.8
81.03428	5.2
81.07063	10.8
83.04991	4.8
83.08599	1.9
83.97622	0.8
85.02915	18.1
85.06537	0.8
85.94601	0.8
91.05489	3.9
93.03413	5.7
93.07055	9.6
95.04990	7.5
95.08617	100.0
96.08977	0.7
97.02914	1.1
97.06537	0.9
98.03674	1.1
98.20786	1.5
98.97580	2.5
99.04440	1.2
100.30726	0.6
100.99124	1.2
102.03372	3.4
103.05418	1.3
105.07047	13.5
106.03031	0.8
107.05019	0.9
107.08615	5.0
109.02892	10.5
109.06528	12.5
109.10196	2.5
110.03680	1.0
111.00822	4.5
111.03928	1.2
111.04474	13.2
111.08110	2.4
113.02379	68.2
113.06061	1.3
115.04159	2.4
116.98612	0.8
119.00175	0.7
123.04451	15.5
123.08084	44.9
123.11712	2.4
124.04652	7.7
124.07584	1.5
124.54849	1.0
125.06014	4.5
126.03172	8.4
127.03926	1.8
128.95088	0.8
131.03380	1.4
133.05403	1.1
133.06502	16.7
133.10233	0.8
137.02432	0.8
137.03644	1.3
141.05478	26.4
142.98920	0.9
145.55421	1.0
145.96620	1.0
146.04160	2.8
151.03973	5.9
151.07559	59.2
151.11214	2.0
152.06972	0.9
154.02646	2.1
163.02815	0.9
163.97794	1.4
169.04988	16.9
169.06386	1.6
169.08647	9.8
169.12285	0.8
170.08160	0.8
170.09656	0.7
173.84074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02365	1.0
53.03952	5.2
55.01864	5.0
55.05514	6.2
56.96565	2.1
57.03430	1.6
57.07067	1.0
65.03925	1.7
67.05173	1.2
67.05506	14.8
68.99797	0.8
69.03419	5.4
69.07053	2.4
69.19579	7.1
69.19990	2.2
71.04986	2.0
72.04520	6.5
73.02900	2.3
79.01857	6.2
79.05492	13.0
81.03421	67.0
81.07059	11.9
82.03764	1.0
83.04991	4.8
83.08612	3.5
85.02900	1.2
85.06529	1.0
87.04470	1.6
89.07148	5.4
91.05459	2.8
93.03413	1.3
93.07039	4.8
95.04955	1.0
95.08618	1.4
96.02117	4.4
97.02892	6.3
97.06531	2.8
97.10163	0.8
99.04445	1.3
102.05166	0.9
105.07043	1.0
107.01321	71.7
107.04971	1.4
107.08595	27.7
109.02882	100.0
109.06518	1.2
109.10149	5.0
110.01260	1.3
110.97553	1.2
111.04442	16.4
111.08080	2.0
119.01820	1.3
121.97573	0.9
125.02359	55.4
125.06003	3.0
125.09647	5.1
127.03922	98.9
128.06195	1.1
135.00781	9.6
135.08040	3.0
135.11713	1.0
137.03484	3.2
139.03918	4.9
143.03403	0.8
143.08614	1.5
153.01836	96.7
153.09099	14.7
156.09370	2.8
167.11349	0.7
171.02902	31.7
171.06590	1.5
171.07980	1.1
171.08661	1.0
171.10168	8.3
171.11705	3.4
171.14943	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	171.0655
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02385	0.4
53.03947	0.9
55.01875	1.3
55.05516	2.3
56.96563	0.5
57.03429	0.4
63.51894	0.4
65.03947	7.7
67.05501	0.6
68.02661	2.8
68.92857	0.4
68.99796	2.1
69.03436	1.2
69.07066	0.6
70.65291	0.8
70.94256	1.0
72.04520	1.8
79.01860	4.5
79.05530	0.6
81.03439	1.3
81.07070	0.5
83.04987	10.6
83.08633	0.9
87.08763	0.3
89.07186	1.8
89.25676	0.3
93.03416	3.7
95.04950	0.6
96.02142	1.1
97.02894	1.1
97.06541	0.6
98.97580	0.6
107.01332	0.7
109.02905	0.4
110.03705	0.5
111.04456	100.0
112.04800	0.6
113.02386	0.5
121.03051	0.5
121.04009	2.3
123.08094	0.3
125.02393	0.9
125.06010	2.5
127.03924	1.1
132.09933	0.4
139.03920	31.9
141.01831	0.5
143.07089	1.0
153.01872	0.8
153.05507	1.7
156.04099	0.6
157.05035	0.4
171.02934	0.5
171.06546	19.0
171.14954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03944	4.4
55.01874	9.1
55.05315	1.2
55.05517	14.9
56.71759	1.3
56.96560	3.4
57.03428	4.5
57.07089	1.3
59.04982	1.6
65.03948	7.2
67.05511	56.1
68.12385	1.2
69.03437	7.2
69.07079	9.3
69.26627	1.3
70.06622	1.2
71.04982	4.4
71.52960	1.2
72.04525	19.7
73.02929	9.0
79.01847	4.9
79.05502	46.2
81.03426	40.1
81.07068	37.3
83.01345	1.7
83.04990	14.2
83.08620	10.2
84.04511	1.7
84.35666	1.4
85.02911	3.7
85.06528	3.1
86.09689	1.5
87.04452	1.9
88.95293	1.8
89.07167	17.2
91.05485	9.3
93.03404	4.6
93.07053	12.6
95.04958	2.4
95.08604	5.7
96.02106	3.2
97.02914	7.6
97.06551	9.5
97.10162	3.2
98.97608	2.0
99.04449	1.7
101.00739	1.8
105.07030	3.2
107.01328	45.8
107.04943	4.0
107.08606	100.0
109.02133	3.2
109.02891	67.1
109.06502	6.2
109.10170	18.8
111.04451	56.8
111.05215	3.1
111.08080	8.9
112.07605	2.1
117.07042	3.4
119.01839	1.4
125.02372	35.5
125.05991	3.8
125.09631	18.1
127.03928	62.7
128.02287	2.6
128.06181	1.4
135.00780	5.6
135.08090	12.4
135.11716	4.3
137.03505	2.9
139.00317	2.3
139.03922	13.1
139.53047	1.4
143.08577	3.9
153.01846	56.2
153.05493	1.8
153.09123	63.0
153.12804	2.1
155.08617	1.9
156.09315	5.3
171.02910	25.6
171.06578	2.6
171.07835	1.6
171.10170	29.4
171.11725	8.6
171.14967	16.4
193.30353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.20018	0.7
56.05024	3.2
56.05812	0.7
57.03443	8.0
57.07079	4.1
58.06598	1.7
60.04530	41.7
62.06089	1.8
62.11198	0.8
62.93255	0.9
67.70906	0.9
68.05023	4.2
69.03432	15.3
69.07079	1.2
69.44263	0.8
70.06593	1.7
70.47581	2.0
70.47937	1.7
71.08621	2.0
72.25999	0.8
84.04510	30.9
85.02908	12.3
86.06063	3.2
91.05458	1.3
94.31812	0.8
95.08572	0.7
96.04494	13.4
96.24786	0.9
97.02895	91.8
98.20830	1.0
98.98452	1.4
102.05550	7.1
104.86197	0.8
105.07024	2.3
107.56364	0.8
114.05537	38.9
115.03932	6.7
118.06558	1.2
119.08598	4.2
126.05575	0.9
131.08617	0.9
132.06592	4.1
132.08080	1.8
133.10147	3.0
138.05528	1.9
147.11688	1.0
156.06525	2.1
156.17444	3.1
174.07626	100.0
174.12581	5.6
174.18542	20.7
174.19957	1.6
175.07660	1.5
175.14828	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	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03940	1.2
56.05028	1.6
56.96550	1.1
57.03442	9.1
58.86493	0.8
60.04528	42.3
61.02922	1.0
68.05029	4.3
69.03431	13.1
69.07046	0.7
70.06606	1.0
71.53553	1.0
84.04510	29.9
85.02905	10.6
86.06065	3.4
91.05477	1.3
96.04502	12.1
97.02896	91.9
98.03223	0.8
98.98451	2.6
100.03993	0.8
102.05553	8.4
105.07037	2.0
105.29107	0.7
106.06529	0.8
114.05536	43.0
115.03931	5.7
118.07314	1.0
119.08588	2.3
127.03981	0.9
132.06622	3.8
132.08017	1.6
132.08929	1.1
133.10175	3.6
138.05502	1.4
147.11505	1.0
156.06477	1.3
174.07625	100.0
174.12535	4.6
174.18585	1.1
175.08000	1.0
175.14818	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	174.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47310	0.3
60.05645	3.3
63.53913	0.3
68.05025	2.3
69.03432	0.7
70.06593	23.5
71.04997	2.5
71.54971	0.4
72.08164	0.4
86.06068	1.3
87.43630	0.2
88.07648	0.3
93.34888	0.3
96.04477	1.5
110.43156	0.3
112.08740	1.0
114.05529	100.0
115.03941	1.5
115.05869	0.7
116.07081	2.2
128.07146	0.6
128.08194	1.2
130.09779	1.2
156.07684	0.5
158.09236	0.7
160.31549	0.3
174.08754	8.5
175.11931	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	174.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47310	0.3
60.05645	3.3
63.53913	0.3
68.05025	2.3
69.03432	0.7
70.06593	23.5
71.04997	2.5
71.54971	0.4
72.08164	0.4
86.06068	1.3
87.43630	0.2
88.07648	0.3
93.34888	0.3
96.04477	1.5
110.43156	0.3
112.08740	1.0
114.05529	100.0
115.03941	1.5
115.05869	0.7
116.07081	2.2
128.07146	0.6
128.08194	1.2
130.09779	1.2
156.07684	0.5
158.09236	0.7
160.31549	0.3
174.08754	8.5
175.11931	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	174.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47310	0.3
60.05645	3.3
63.53913	0.3
68.05025	2.3
69.03432	0.7
70.06593	23.5
71.04997	2.5
71.54971	0.4
72.08164	0.4
86.06068	1.3
87.43630	0.2
88.07648	0.3
93.34888	0.3
96.04477	1.5
110.43156	0.3
112.08740	1.0
114.05529	100.0
115.03941	1.5
115.05869	0.7
116.07081	2.2
128.07146	0.6
128.08194	1.2
130.09779	1.2
156.07684	0.5
158.09236	0.7
160.31549	0.3
174.08754	8.5
175.11931	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	174.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67842	0.4
55.05502	0.8
57.03438	0.4
57.07075	14.9
58.06614	2.7
60.04514	1.3
62.06089	12.1
69.03413	1.0
69.07061	0.9
70.06597	0.4
70.63654	1.1
71.08633	11.1
81.07025	0.6
84.04492	1.6
85.02889	0.8
91.05473	0.9
95.08565	0.6
96.04463	0.8
97.02889	4.1
98.98461	1.0
105.07034	0.8
112.04803	0.5
112.29237	0.4
114.05527	3.0
115.03963	0.4
119.08591	3.0
128.40938	0.4
131.08676	0.4
132.08095	0.8
133.10110	4.1
146.05968	0.5
156.17474	12.0
174.07668	3.6
174.08934	0.7
174.12611	2.5
174.18538	100.0
175.07527	1.2
175.14813	3.3
175.18907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05655	38.3
69.02148	0.5
69.64291	3.0
69.64692	0.9
70.06599	100.0
71.04987	1.2
72.08165	4.8
90.01849	0.6
90.96706	0.5
97.07682	0.8
98.06015	1.1
98.20819	0.6
112.08733	4.8
114.10304	0.9
115.08730	0.8
116.07106	33.5
128.49504	1.0
130.08818	1.0
130.09772	13.6
130.99780	0.5
131.56229	0.5
137.50006	1.2
140.00249	0.7
145.12291	0.6
149.00912	0.5
157.10846	1.7
158.09258	9.9
175.04465	0.6
175.11920	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05653	38.6
69.64643	2.3
69.65070	1.4
70.06596	100.0
71.04994	1.4
71.06954	0.9
72.08168	4.8
73.39847	0.4
81.35667	0.6
82.64647	0.4
85.02860	0.5
88.07630	0.6
97.07690	0.6
98.06059	0.8
100.95143	0.5
101.00851	0.5
112.08737	4.6
114.05524	1.1
114.10337	1.1
115.05886	3.7
115.08730	0.8
116.07097	31.8
119.01926	0.8
130.09770	14.0
157.10895	1.9
158.09262	9.4
161.03105	0.7
170.81613	0.5
175.11913	35.6
193.62144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	L-Arginine
Peak:m/z	Relative Intensity
50.56619	0.5
56.96560	0.9
60.05651	37.5
65.04804	0.4
67.74274	0.5
70.06596	100.0
70.88498	1.2
70.88845	0.5
71.05000	2.0
71.81009	0.5
72.08167	4.0
72.67228	0.5
88.07645	0.7
96.52695	0.5
97.02892	0.5
97.07712	0.5
101.00869	0.9
106.21764	0.5
112.08759	3.6
113.07126	0.6
114.10287	0.7
115.08704	0.7
115.93772	0.5
116.07098	30.8
117.89536	0.5
119.01925	1.2
125.28675	0.5
130.08821	0.8
130.09773	13.7
133.03439	0.8
140.08142	0.5
141.06715	0.5
157.10849	1.9
158.09247	9.4
175.04579	1.0
175.11909	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03968	0.4
55.05516	3.0
57.07074	0.5
60.05644	0.7
65.03967	0.4
65.94958	0.3
67.05508	1.0
69.07068	5.5
70.06594	1.3
70.17569	1.6
79.05492	1.8
81.07058	8.0
83.08641	1.1
91.05475	5.4
93.07047	2.6
93.28791	0.3
95.08610	6.2
97.02826	0.4
98.03648	0.5
98.21478	0.5
98.98454	2.0
101.88318	0.4
103.05475	0.5
105.07027	16.7
107.08592	3.7
115.05433	0.9
116.07065	0.9
117.07000	2.1
118.07812	0.6
119.04921	0.4
119.08581	31.4
121.10162	0.9
131.08563	2.7
133.10130	100.0
134.10463	1.5
145.10114	1.7
146.10925	0.7
147.04416	1.3
147.08006	0.5
147.11681	5.6
160.12511	1.4
173.13248	0.5
175.04008	0.4
175.06174	0.5
175.07542	2.5
175.14821	39.9
176.15157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03933	0.6
54.64415	0.2
55.01871	0.4
55.05508	0.4
65.03938	0.6
67.05501	0.3
69.07057	0.8
75.45322	0.2
77.03941	0.3
78.04716	1.8
79.05473	1.0
81.07049	0.9
83.08626	0.3
83.38864	0.2
89.03907	1.2
91.05480	6.9
93.07050	2.4
95.04977	0.9
95.08610	1.9
98.97580	0.4
98.98454	0.8
103.05486	1.6
105.03330	0.4
105.04523	0.3
105.07027	1.4
106.04179	9.2
106.07806	0.3
107.04957	0.5
107.08604	2.5
109.10149	0.6
115.05460	2.7
116.06240	2.7
117.03385	2.0
117.07021	9.7
119.04945	1.5
119.08566	0.4
121.02973	0.2
121.06506	6.0
121.10144	3.4
129.06995	0.2
131.04906	0.9
131.08556	1.0
133.06519	2.3
134.03638	1.2
134.07277	3.1
135.08057	1.6
135.11685	0.8
137.11346	0.2
144.05692	1.9
145.02846	2.8
145.06516	1.8
145.07536	0.3
146.07275	0.4
147.04410	0.7
147.08032	0.4
149.02327	0.5
149.05977	4.7
149.09622	1.4
149.13251	0.3
159.08081	0.3
159.11679	0.3
161.05963	1.0
162.06764	11.1
164.17201	0.2
175.07506	0.2
177.05757	4.2
177.09105	100.0
177.16341	2.6
178.09560	1.2
178.48801	0.2
185.04538	0.2
192.37047	0.2
198.47963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
52.85531	0.1
53.03929	0.3
55.01855	0.2
55.05515	1.4
56.96556	0.4
57.07082	0.2
65.03934	0.6
67.05503	1.2
69.03419	0.3
69.06728	0.2
69.07072	3.8
69.56573	0.9
78.04697	0.7
78.50000	0.1
79.05495	2.5
81.07059	2.9
83.04971	0.2
83.08619	2.0
88.02190	0.2
88.68507	0.1
89.03922	2.1
91.05481	5.1
93.03387	0.2
93.07046	5.6
94.18045	0.1
95.04958	0.5
95.08611	6.1
97.10165	0.4
98.97571	0.5
98.98479	1.6
103.05489	1.2
105.03381	0.3
105.07037	2.4
106.04182	2.4
106.07797	0.4
107.04938	0.4
107.08598	10.5
109.06519	0.3
109.10162	2.3
115.05455	2.8
116.06239	2.3
116.98598	0.3
117.03385	3.8
117.07022	10.3
118.07368	0.2
119.04931	1.2
119.08575	1.0
121.02842	0.3
121.06507	3.9
121.10147	14.0
129.06993	0.4
131.04919	0.6
131.08588	1.3
133.06503	2.6
133.07481	0.2
133.10138	0.4
134.03618	0.6
134.07272	3.1
135.04419	0.4
135.08055	1.6
135.11699	2.6
144.05708	2.0
145.02850	6.0
145.06488	1.7
146.07214	0.3
147.04439	0.4
147.08012	0.4
149.02310	0.6
149.05974	3.2
149.09639	1.7
149.13258	1.3
154.03619	0.2
159.04457	0.2
159.08054	0.7
159.11684	0.6
161.06006	0.9
162.03146	0.4
162.06764	11.6
163.03941	0.3
175.07556	0.4
177.05711	4.9
177.09109	100.0
177.16382	9.8
178.04967	0.2
178.08406	0.3
178.09491	0.7
178.29108	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05515	1.8
56.96560	0.8
65.03944	4.3
67.05518	1.7
69.03410	0.5
69.07069	7.0
69.84500	0.3
70.11964	0.9
77.08308	0.3
79.05492	3.8
81.07056	12.1
83.04971	0.4
83.08631	2.4
85.02904	0.7
89.03928	0.8
91.05485	1.9
93.03387	1.7
93.07047	7.0
95.04965	0.4
95.08609	8.9
97.10168	1.0
98.97570	0.4
98.98471	2.5
105.07028	1.3
107.04967	0.6
107.08598	14.4
109.10143	2.7
111.04454	0.7
115.15287	0.3
117.03398	1.4
117.07011	0.4
119.06091	0.3
119.08602	0.7
121.01995	0.6
121.02869	12.3
121.03979	2.2
121.06509	0.3
121.10143	16.4
121.83805	0.3
131.01930	0.4
131.08568	0.7
131.15819	0.3
133.15637	0.3
135.11696	2.4
141.39980	0.3
145.02834	1.9
149.02344	100.0
149.13252	0.9
150.02673	0.9
153.93709	0.4
154.03616	0.3
156.67163	0.3
159.11722	0.6
163.06316	0.5
167.03487	0.6
177.05463	3.3
177.07489	0.9
177.09132	0.9
177.12862	1.8
177.16394	17.3
178.08635	1.3
185.79337	0.3
190.04964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.65827	1.9
55.05516	11.9
56.96558	4.2
65.03932	3.3
67.05505	8.8
67.22054	1.6
69.07067	33.2
71.53687	2.3
79.05493	24.0
79.84708	2.1
81.06587	3.8
81.07058	75.5
83.08617	13.6
89.03900	5.5
91.05477	12.1
93.06480	2.8
93.07044	47.2
95.08609	55.8
97.10154	6.1
98.98460	16.2
103.05471	3.3
105.07025	10.1
107.04986	2.1
107.08598	89.0
109.10152	17.3
116.07645	1.7
117.03358	6.8
117.07026	3.1
119.08577	2.9
121.06483	3.7
121.10144	80.4
131.01830	1.9
131.04939	2.4
131.08577	5.7
134.52504	1.8
135.08064	2.4
135.11696	18.3
145.02866	14.4
149.02335	12.4
149.05977	5.8
149.13322	10.3
153.93771	2.0
154.03537	1.9
159.08047	2.4
159.11688	4.2
163.06314	2.2
172.08679	1.6
177.05420	14.1
177.07523	4.0
177.09084	4.7
177.12923	8.5
177.16385	100.0
178.08525	8.7
178.15932	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.45234	0.9
51.56050	1.0
52.89146	0.9
53.03931	1.3
55.05512	11.6
55.26582	0.9
57.07071	2.3
67.05499	5.3
67.05811	0.9
69.07071	25.2
69.82749	5.5
70.23512	0.8
79.05492	13.9
80.06658	1.0
81.07060	35.0
83.08151	1.2
83.08620	14.1
86.25120	0.9
88.02207	1.8
91.05472	6.2
93.07047	37.9
95.05013	1.0
95.08608	37.5
97.10171	3.8
98.20826	1.2
98.98453	4.3
102.24207	1.0
105.07013	8.2
107.08594	59.4
109.06511	1.2
109.10155	11.6
119.08587	1.9
121.10146	100.0
122.10419	1.2
134.24123	0.9
135.11693	17.8
149.02301	1.5
149.13235	4.8
159.99254	1.0
162.05194	1.1
177.07660	4.7
177.10330	1.1
177.16380	58.5
178.07234	0.9
178.08618	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	1.5
55.05510	10.2
56.22404	0.7
57.07071	2.5
64.67372	0.8
67.05502	6.4
69.07066	38.7
69.26820	6.6
69.61845	0.7
78.04704	0.9
79.05488	10.8
81.07052	14.2
83.08611	12.6
83.72899	0.7
85.34795	0.8
86.03835	0.7
89.03915	2.4
91.05476	8.1
93.07043	31.1
95.08604	48.2
97.10162	2.8
98.98451	1.2
105.07033	7.0
106.04195	1.5
107.08588	64.3
109.10151	17.4
117.03384	4.0
117.07021	0.9
119.06064	1.0
119.08573	2.1
121.06520	2.2
121.10140	97.3
131.08524	1.0
133.10124	1.5
135.11679	18.9
140.23709	0.7
145.02843	8.2
149.05972	2.6
149.13277	8.7
159.11780	1.0
173.01344	0.8
176.96216	0.8
177.05515	5.1
177.09105	5.0
177.12997	1.9
177.16383	100.0
178.16774	1.3
181.79555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03938	1.4
55.05316	1.1
55.05518	13.1
58.59736	1.3
67.05505	9.6
69.07073	32.4
69.20255	6.0
69.20684	6.1
79.05502	25.8
81.07064	100.0
83.08625	12.4
91.05489	9.2
93.06485	2.1
93.07054	42.8
95.08620	52.9
97.10162	6.1
98.98518	1.4
105.07028	5.9
107.08603	98.2
109.06532	1.4
109.10158	14.4
119.08605	2.4
121.10154	84.7
135.11723	13.2
149.13260	6.2
177.16400	88.8
178.08698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	0.8
55.05515	7.8
57.07067	0.8
61.00471	0.8
67.05515	4.6
68.65074	0.8
69.07074	26.2
70.86269	2.1
71.08627	0.9
74.86507	0.7
79.05495	10.2
81.07068	15.3
83.08628	14.7
83.09115	1.1
91.05487	5.4
93.07057	25.6
95.08616	37.2
97.10184	2.5
105.07055	5.9
107.08605	64.5
109.10163	14.3
121.10155	100.0
123.11726	0.9
135.11707	16.0
149.13271	6.6
163.39476	0.8
177.05521	1.4
177.09229	1.2
177.16406	73.2
178.16655	0.9
199.71574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0863
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
51.02183	0.3
54.30037	0.3
56.31045	0.3
56.96622	1.0
57.07105	0.4
58.07471	0.3
64.79922	0.3
67.05542	0.7
68.46841	0.3
71.27709	0.6
79.05556	0.8
80.32655	0.3
80.83578	0.3
82.07449	0.3
88.02275	0.9
89.03934	0.5
90.04310	0.4
91.05501	2.1
91.64063	0.3
92.05850	0.7
93.07101	0.5
94.07399	0.5
95.08668	0.4
98.97653	0.4
102.29691	0.4
104.05019	0.6
105.07039	1.7
106.06602	0.9
106.07359	0.6
107.08656	0.6
108.08948	0.7
109.02942	0.8
111.04468	0.4
113.97084	0.4
115.05470	3.8
117.03462	0.4
117.05766	2.4
118.04243	1.0
118.06558	8.4
119.04977	0.5
119.08558	0.3
120.08154	1.0
121.10119	0.6
122.10485	0.7
131.04953	0.4
132.04460	18.5
132.08093	32.9
133.06497	0.5
133.10149	1.1
134.85939	0.4
135.04449	0.4
135.06828	0.5
135.08031	0.4
137.05989	0.5
140.04971	0.4
142.06529	10.1
146.03638	4.0
147.04404	0.9
150.05363	0.5
150.06419	0.7
150.09160	1.2
160.07584	100.0
161.05946	0.5
161.07938	1.2
163.03938	0.9
163.06274	5.0
178.04907	0.9
178.06129	2.9
178.08621	28.7
178.16673	0.6
179.03459	0.5
179.06943	0.9
181.60463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03934	1.5
55.01872	2.1
55.05507	3.2
55.21685	0.8
57.07080	32.8
59.04988	3.9
62.86609	1.0
63.88030	0.8
64.72881	0.7
67.05482	1.5
69.03437	1.4
69.07058	3.4
69.35721	7.1
79.05499	10.8
80.59648	0.9
81.03418	8.2
81.07072	4.8
83.04986	61.4
85.06572	1.3
91.05481	3.0
93.07056	5.8
95.04968	19.0
97.06538	31.8
98.87003	0.9
98.97599	6.6
105.07045	4.5
107.04942	2.8
107.08607	7.5
116.98608	4.3
117.07011	1.7
119.08587	3.3
121.06492	2.8
121.10155	7.9
124.57941	0.8
125.06001	92.4
130.07849	2.4
131.21371	0.8
134.99673	1.2
135.11691	4.8
140.00264	1.1
145.10146	9.2
155.22980	0.9
163.11192	100.0
164.11559	1.8
181.12251	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	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03950	1.4
54.12658	0.8
55.01872	1.6
55.05508	2.9
56.96572	7.9
57.03423	1.3
57.07067	1.9
58.43562	0.8
59.04997	1.5
63.94448	0.8
65.03920	0.9
67.05513	6.7
69.03443	6.0
69.07073	4.5
70.92892	1.9
71.04984	3.2
71.95248	2.1
77.03928	1.4
79.05069	1.2
79.05505	14.7
81.03432	1.5
81.07070	4.5
83.04992	8.3
83.08624	3.5
85.02905	1.3
85.06550	1.0
87.48818	0.7
91.05498	5.5
93.03436	0.9
93.07053	12.3
95.04982	6.2
95.08617	11.3
97.02887	2.9
97.06546	13.3
97.10185	1.0
98.97596	100.0
103.05487	1.5
105.07027	4.8
107.04954	3.0
107.08593	7.7
109.06539	0.8
109.10175	4.3
111.04442	3.6
111.08060	2.5
116.98638	46.2
119.08574	2.9
121.06524	5.8
121.10164	32.4
121.11046	1.6
122.07365	1.0
123.08083	95.3
125.06007	6.4
134.02185	0.8
134.99664	14.0
135.11707	8.1
137.05986	2.8
137.09604	3.8
139.11247	1.3
140.00183	4.3
142.02776	0.8
145.10133	4.7
149.05991	4.1
153.09119	0.8
153.12759	0.8
158.01306	2.6
163.03873	1.9
163.11212	8.9
163.14807	1.3
181.03596	0.7
181.04961	3.8
181.06372	0.9
181.08643	5.2
181.12259	10.4
181.15839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.81493	1.0
55.05504	2.2
56.96550	1.9
57.07078	32.9
59.04984	3.3
67.05472	1.7
69.03423	1.6
69.07055	5.0
69.47606	3.4
69.48041	4.2
71.04977	1.0
79.05489	9.7
81.02988	1.2
81.03406	7.3
81.07063	5.4
83.04983	56.7
85.06502	1.3
91.05468	2.2
93.07040	5.5
95.04971	21.3
97.06526	32.8
98.20725	1.3
98.97588	31.2
103.36301	0.9
105.07051	4.7
107.04951	2.6
107.08589	7.8
107.11717	1.0
116.98627	19.5
117.06987	1.6
119.08562	2.5
121.06485	3.8
121.10152	12.7
125.05995	99.4
130.07776	2.1
134.99657	4.0
135.11726	5.5
140.00175	3.5
143.08568	1.1
145.10112	9.6
153.12694	1.2
158.01271	2.5
163.11183	100.0
164.11551	1.3
181.12241	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.02773	1.1
53.03944	1.3
55.01863	1.4
55.05501	1.6
56.96555	3.3
57.07077	26.9
59.05007	2.6
64.50423	1.0
67.05495	1.6
69.03410	1.3
69.07059	4.3
69.48376	6.3
70.58646	0.9
79.05498	9.3
81.03429	7.3
81.07065	5.3
83.04987	63.7
91.05484	2.6
91.21236	0.9
93.07046	4.7
95.04977	18.5
96.49922	1.2
97.06540	33.2
98.97590	53.4
105.07031	4.0
107.04948	3.1
107.08602	8.9
116.97820	1.8
116.98634	34.4
117.07030	2.6
119.08560	2.2
121.06516	3.5
121.10163	9.2
125.06001	100.0
126.40670	1.0
128.33887	1.1
130.07753	1.7
134.99666	16.2
135.11688	4.6
135.87100	0.9
140.00188	9.6
145.10120	9.5
153.00714	2.2
158.01241	7.8
163.11188	93.3
177.36296	1.0
181.02794	1.9
181.12245	41.8
189.33842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01875	1.8
55.05504	3.1
56.96557	1.6
57.03434	0.9
57.07080	29.5
59.04996	2.9
62.16262	0.7
67.05518	1.8
69.03436	1.6
69.07077	4.8
71.14622	1.4
71.95270	0.9
79.05482	9.4
81.03414	5.6
81.07058	6.0
83.04987	65.2
85.06521	0.8
91.05475	2.4
93.07054	7.0
95.04972	18.8
97.06537	33.1
98.97587	21.5
105.07015	3.9
107.04964	2.2
107.08598	8.3
116.98634	12.7
117.07016	1.2
117.60662	1.1
119.08589	2.4
121.06513	1.9
121.10155	12.2
123.08051	1.0
125.05999	100.0
130.07750	1.8
134.99680	6.7
135.08023	1.0
135.11687	4.3
140.00168	4.1
140.76433	0.8
145.10138	8.5
146.06779	0.9
158.01270	3.1
162.86536	0.8
163.11191	98.5
164.11557	1.6
181.10690	1.5
181.12238	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01864	8.3
57.03439	27.9
61.02928	22.5
68.98304	2.6
69.03433	28.0
69.59285	4.5
69.59701	9.1
70.99865	2.5
73.02923	51.1
81.01900	4.6
81.03414	12.5
82.99837	12.9
85.02914	37.9
87.01889	3.1
87.04451	3.0
88.02671	4.9
93.01871	5.8
94.02702	4.6
94.99809	2.5
96.02396	5.7
97.02903	37.9
97.42896	2.0
98.03222	2.5
98.97580	2.2
99.01899	4.0
99.04439	5.5
100.02608	6.1
101.00886	83.5
102.02415	12.7
103.02329	2.4
103.03969	2.1
106.02701	2.6
107.03411	3.3
108.02412	4.9
109.02977	7.8
111.02930	11.1
111.53024	2.2
112.02684	2.8
113.00866	23.6
114.02364	7.3
115.02385	6.0
115.03133	3.0
117.02922	3.2
118.03516	2.5
119.01931	100.0
120.02417	3.5
120.03431	2.5
123.02917	16.9
123.06702	2.8
124.02445	8.2
125.02655	2.4
127.02401	7.8
127.03912	9.1
129.00294	2.9
129.02884	8.1
129.03894	4.0
131.01915	29.5
132.03406	6.5
133.03410	6.3
135.02890	6.0
136.03688	3.0
137.02942	11.3
137.07912	4.8
138.03465	13.3
139.02371	4.8
141.04973	2.4
142.03505	44.7
143.01906	52.0
144.03455	7.5
144.53458	2.3
145.03496	16.6
145.04626	2.6
145.04884	2.2
145.78549	2.2
146.03470	3.0
147.01308	2.3
147.03947	3.5
149.02896	4.1
149.04797	2.6
153.03932	3.8
155.01906	36.5
156.02039	4.6
156.03398	2.3
157.03476	16.2
160.04565	13.9
161.02962	44.4
162.03137	3.4
162.05467	5.8
165.03993	4.3
167.01880	14.0
169.03467	3.4
173.02982	34.6
174.03075	3.8
179.04097	10.2
183.08673	2.8
185.02954	33.2
186.03125	3.1
187.04526	3.2
191.03987	2.7
197.02963	4.7
199.04672	2.7
203.04021	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01864	8.3
57.03439	27.9
61.02928	22.5
68.98304	2.6
69.03433	28.0
69.59285	4.5
69.59701	9.1
70.99865	2.5
73.02923	51.1
81.01900	4.6
81.03414	12.5
82.99837	12.9
85.02914	37.9
87.01889	3.1
87.04451	3.0
88.02671	4.9
93.01871	5.8
94.02702	4.6
94.99809	2.5
96.02396	5.7
97.02903	37.9
97.42896	2.0
98.03222	2.5
98.97580	2.2
99.01899	4.0
99.04439	5.5
100.02608	6.1
101.00886	83.5
102.02415	12.7
103.02329	2.4
103.03969	2.1
106.02701	2.6
107.03411	3.3
108.02412	4.9
109.02977	7.8
111.02930	11.1
111.53024	2.2
112.02684	2.8
113.00866	23.6
114.02364	7.3
115.02385	6.0
115.03133	3.0
117.02922	3.2
118.03516	2.5
119.01931	100.0
120.02417	3.5
120.03431	2.5
123.02917	16.9
123.06702	2.8
124.02445	8.2
125.02655	2.4
127.02401	7.8
127.03912	9.1
129.00294	2.9
129.02884	8.1
129.03894	4.0
131.01915	29.5
132.03406	6.5
133.03410	6.3
135.02890	6.0
136.03688	3.0
137.02942	11.3
137.07912	4.8
138.03465	13.3
139.02371	4.8
141.04973	2.4
142.03505	44.7
143.01906	52.0
144.03455	7.5
144.53458	2.3
145.03496	16.6
145.04626	2.6
145.04884	2.2
145.78549	2.2
146.03470	3.0
147.01308	2.3
147.03947	3.5
149.02896	4.1
149.04797	2.6
153.03932	3.8
155.01906	36.5
156.02039	4.6
156.03398	2.3
157.03476	16.2
160.04565	13.9
161.02962	44.4
162.03137	3.4
162.05467	5.8
165.03993	4.3
167.01880	14.0
169.03467	3.4
173.02982	34.6
174.03075	3.8
179.04097	10.2
183.08673	2.8
185.02954	33.2
186.03125	3.1
187.04526	3.2
191.03987	2.7
197.02963	4.7
199.04672	2.7
203.04021	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94741	0.3
59.12757	0.3
65.01209	0.3
67.93643	0.3
69.03439	0.7
70.34903	1.2
82.01429	0.5
82.99854	7.3
86.37444	0.3
100.02520	1.1
100.97221	0.6
101.00896	62.7
111.00446	0.6
118.03564	1.1
119.01938	100.0
121.02360	0.4
124.02471	10.8
124.03381	0.5
136.04552	0.5
137.02975	13.7
137.39194	0.3
142.03520	63.8
143.01842	0.6
143.03770	0.3
160.04582	21.6
161.02980	10.1
163.78954	0.3
165.05115	0.9
177.01051	0.3
178.05617	2.9
179.04039	10.6
183.06253	0.5
184.04622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
56.96574	0.8
57.03433	1.2
57.69019	0.4
61.02912	0.9
69.03416	1.5
69.68201	1.3
69.68610	1.1
72.40011	0.4
73.02916	2.0
81.03440	0.5
82.99843	6.6
85.02919	1.9
97.02879	1.7
98.20911	0.6
101.00883	56.8
102.00984	1.6
103.00640	0.5
103.02303	0.6
111.00428	0.6
112.21458	0.4
113.00900	0.8
114.01013	0.5
115.00642	0.8
119.01922	100.0
120.02034	1.5
121.02411	0.6
123.55064	0.4
124.02433	5.3
127.03902	0.5
131.01921	0.7
132.02023	0.4
133.01634	0.9
133.03441	0.7
137.02953	15.1
138.53464	0.6
142.03500	28.2
143.01891	4.7
143.03697	1.6
144.02086	1.2
145.01637	1.0
145.03409	0.4
154.03793	0.5
155.01900	0.4
156.02113	1.1
156.03412	0.5
157.01627	0.6
157.03534	0.4
160.04550	3.7
161.02959	18.1
162.03131	0.9
167.90292	0.4
174.03116	1.1
175.02731	0.7
179.04019	13.3
179.05586	0.7
184.04631	0.7
185.03015	0.5
186.03056	0.7
187.02736	0.5
204.04297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36724	0.3
55.01857	0.4
57.03441	0.5
71.40952	0.5
73.02937	0.5
82.99378	0.8
82.99846	8.1
85.02887	0.5
87.44176	0.4
99.23492	0.4
101.00890	57.7
102.00951	1.0
103.00616	0.4
109.02853	0.4
113.00901	0.4
115.00600	0.5
119.01930	100.0
120.02026	1.8
124.02451	4.8
133.01694	0.6
137.02969	15.7
142.03511	27.9
143.01913	1.7
143.03635	1.0
160.04561	3.6
161.02969	16.5
176.35918	0.4
179.04024	12.4
179.05608	0.8
184.04517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
52.03160	0.5
52.25865	0.5
53.03959	0.5
55.01884	0.7
55.05514	1.6
56.96572	1.1
57.03432	0.9
60.95853	0.7
65.03936	1.1
67.05500	2.4
68.99792	1.3
69.03436	1.9
69.07063	2.6
69.69143	1.5
69.69561	1.2
71.04993	1.4
72.08149	0.5
73.68742	0.4
75.04494	1.1
79.01878	0.9
79.05512	3.0
81.03414	0.7
81.07056	2.4
82.04199	1.5
83.04993	1.8
83.08611	0.6
85.02924	1.6
85.06550	0.7
85.98470	0.6
86.09699	0.9
93.03413	0.9
93.07060	1.8
95.01322	5.0
95.01787	0.5
95.04969	2.3
95.08625	1.2
97.02881	0.8
97.06543	2.5
98.97580	4.2
99.04472	1.2
99.97866	0.4
101.95067	0.6
102.96867	7.4
105.07016	1.2
107.01286	1.0
107.08602	4.0
109.02861	0.6
109.06541	0.9
109.10162	0.6
110.03670	21.8
111.04459	7.1
111.08105	1.3
116.98618	1.6
119.01920	0.5
120.02029	1.0
120.97916	5.2
121.00805	0.8
121.06484	0.7
121.10173	2.7
122.75916	0.5
123.00793	0.6
123.04423	2.2
124.05203	0.7
125.06000	69.2
125.09570	0.9
126.06341	0.8
127.03929	4.9
135.08060	0.9
138.03099	1.0
138.70604	0.4
138.98955	1.1
139.03915	17.0
139.07536	1.4
139.11166	1.2
140.04587	0.5
142.06238	1.1
148.05768	0.6
149.09576	0.9
149.69093	0.5
153.05478	100.0
154.06256	36.7
155.03389	3.3
155.06972	1.3
156.04239	0.8
157.08591	0.5
158.99702	2.3
162.05362	0.6
163.01869	1.3
167.07059	1.6
167.09099	0.6
167.10687	2.1
170.05759	8.0
170.10896	0.5
177.00706	1.1
181.02896	1.1
185.02661	0.7
185.08105	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	185.0809
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.97218	0.4
59.79790	0.4
65.03942	0.8
66.22570	0.5
67.05508	1.4
68.52873	0.4
68.99797	1.1
69.03436	0.5
69.07063	0.9
69.62858	2.6
72.08183	0.5
75.04478	1.4
75.35767	0.4
79.01857	1.4
79.05489	1.1
81.03390	0.5
81.07064	0.7
82.04199	1.8
83.04961	0.8
85.02882	0.6
86.09717	0.8
91.05455	0.7
93.03399	0.6
93.07042	1.0
95.01344	4.6
95.04984	1.4
95.08648	0.5
97.02884	0.5
97.06544	1.9
98.21481	0.8
98.97598	1.4
102.96868	3.0
107.01307	0.5
107.08598	1.7
109.02876	1.0
109.10177	0.6
110.03670	24.0
111.04456	5.9
120.02003	0.6
120.97929	1.9
121.10133	0.7
123.04475	2.2
123.11755	1.2
125.06000	69.9
127.03934	4.8
138.03146	1.1
139.03905	16.2
140.04700	0.7
141.05435	0.7
142.06265	0.7
153.05473	100.0
154.06259	38.8
155.03412	3.0
155.06992	1.5
156.04164	0.7
157.08565	0.6
163.01834	1.4
170.05768	7.9
178.02492	0.6
185.08104	35.0
186.08211	0.5
198.38298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01870	1.9
55.05511	1.1
56.96574	32.7
57.03436	2.0
57.07058	0.6
62.00408	0.7
69.03448	2.6
69.07088	0.5
69.31723	4.5
71.01363	2.7
71.95267	2.9
72.96048	1.6
73.02924	5.7
74.97616	1.7
77.00922	1.0
81.03430	1.1
82.01436	0.6
82.99833	0.8
83.01337	1.0
83.08634	0.8
84.99602	1.8
85.01444	1.3
85.02900	2.6
85.99928	0.7
88.02213	2.4
88.02699	2.3
89.51567	0.8
94.02676	1.6
95.03469	0.7
96.99754	0.9
97.02915	2.4
98.01406	0.7
98.97596	44.6
100.02580	1.8
100.51681	0.9
101.00898	7.7
101.03469	0.6
102.00947	2.6
102.02344	0.8
102.96861	0.7
103.00652	25.0
103.01323	1.8
103.02470	2.9
103.03178	1.3
104.00940	9.9
104.01641	0.5
105.07046	0.7
108.50594	0.5
109.03226	3.6
109.52211	0.8
110.01411	1.8
111.01261	0.5
113.00888	1.7
113.02357	0.7
115.02424	2.3
116.01369	0.8
116.98634	23.9
117.02201	1.8
117.02944	0.6
117.04044	0.8
118.03625	1.1
119.01941	19.6
120.02024	9.4
120.51456	0.6
121.01683	100.0
122.01981	39.7
123.00399	0.6
123.02132	1.4
123.02947	1.3
123.52174	0.6
124.01173	0.8
124.03713	1.1
124.50015	0.7
125.01910	1.4
126.02151	0.7
127.02460	5.0
128.99400	0.8
129.02130	0.7
129.04007	0.7
129.49451	0.6
129.51962	1.8
131.00209	0.9
131.01932	3.3
131.96136	0.6
132.00011	1.8
132.03444	2.8
133.01704	2.3
133.03481	10.1
134.03606	0.8
134.99684	10.7
135.03215	1.3
135.51917	0.6
137.02968	4.7
137.50002	0.9
138.03073	3.0
139.02705	28.8
140.00307	0.7
140.03036	14.1
140.50343	0.6
141.04027	0.7
142.03517	1.5
143.01939	2.7
143.03618	2.2
144.03261	11.3
144.05002	0.6
144.52448	1.9
144.98070	1.1
145.01656	2.3
145.03546	33.7
145.51775	0.7
146.03244	5.0
146.53275	1.0
147.03203	1.1
147.05098	0.7
149.01135	1.3
149.50031	0.6
151.04588	1.8
152.01540	0.8
153.00771	1.3
153.53003	0.7
154.02209	0.9
154.52304	1.3
155.00002	0.7
155.02020	1.2
155.03723	10.7
155.53854	2.1
157.03458	3.5
159.03227	1.2
159.05038	0.9
161.03001	2.2
161.04681	1.1
162.03186	0.8
162.04308	2.9
162.99176	4.5
163.02686	8.2
163.04610	6.4
163.48915	0.7
163.63087	1.5
164.00804	0.7
164.03093	9.0
164.04349	5.2
164.54375	0.8
166.54495	1.4
168.05174	1.2
168.99904	0.6
169.03505	3.1
172.99901	0.7
173.03030	0.9
173.50198	0.7
175.02011	1.8
175.04500	6.0
175.51888	0.7
176.04657	1.0
177.04308	0.7
181.00244	1.4
181.03751	9.0
182.04150	13.0
187.02773	6.1
187.04576	7.5
187.06258	1.3
187.08006	0.8
187.12683	1.3
187.15277	0.7
189.02499	1.5
195.05167	0.6
203.00679	0.6
205.03827	1.6
205.05684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
53.22865	0.6
55.01883	0.6
55.05515	1.0
56.96561	3.2
57.03429	2.0
57.35405	0.6
61.02926	1.7
62.13159	0.6
67.05490	0.9
69.03430	24.1
71.01365	0.7
71.04994	9.8
71.07305	0.9
71.07664	1.0
71.39889	0.7
81.03418	100.0
83.01332	0.7
83.08604	1.6
84.04524	0.7
85.02906	23.8
88.02212	5.7
91.05486	2.4
93.07011	0.7
94.94257	0.5
95.08583	1.0
97.02293	1.0
97.02896	15.0
99.03841	1.1
99.04458	15.8
105.07032	2.0
107.08572	0.7
109.02877	10.7
109.10187	0.5
110.96793	0.7
115.05440	0.7
117.07047	1.6
119.08576	2.2
119.97318	3.8
127.03923	13.3
127.05888	0.6
128.97838	3.6
129.07047	1.0
130.07796	1.1
131.08566	7.3
131.48132	2.2
137.98381	1.4
140.48645	5.0
143.08536	1.3
144.09282	0.8
145.10124	15.8
149.49203	0.8
151.99376	0.6
157.10185	0.7
159.06978	0.8
159.08099	1.3
159.11691	2.2
162.32739	0.7
169.04985	0.8
169.06451	0.6
172.05238	0.8
172.12483	0.9
187.04117	1.2
187.06033	27.8
187.07619	2.9
187.11192	1.9
187.12794	1.2
187.14822	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	187.0601
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03952	8.0
57.03445	1.7
59.28136	0.7
61.02927	1.6
69.03432	22.8
69.03819	1.1
70.97665	1.5
70.98022	1.2
71.04995	9.9
81.03419	100.0
85.02907	27.4
88.02233	1.1
97.02898	13.4
99.04459	16.2
108.73833	0.9
109.02882	8.4
110.11184	0.7
127.03917	13.5
145.10081	1.5
187.06007	23.8
187.07674	1.6
187.14871	1.5
187.22667	0.8
197.62485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.00197	0.5
55.05504	0.5
56.96566	3.0
57.03436	0.4
63.34545	0.4
66.91528	0.4
67.05533	0.4
69.03420	1.2
69.07069	0.9
70.69731	1.1
71.04988	0.5
73.02909	0.6
81.03439	0.6
83.04971	1.0
83.97665	0.4
84.04508	5.1
84.96056	0.5
85.02917	1.6
91.05476	3.3
97.02931	0.9
98.97571	2.5
100.07601	0.4
103.05494	0.4
105.07026	0.9
115.05457	4.4
116.98631	0.8
117.05762	1.0
117.07011	3.9
118.06548	58.7
119.01826	0.7
126.05560	0.5
128.02318	1.4
128.07104	0.8
132.08107	0.8
137.02869	0.8
142.06532	4.8
142.08632	1.0
143.07317	8.8
144.04384	0.7
144.08090	21.9
145.06485	0.4
146.06015	100.0
146.91878	1.1
147.06284	0.7
155.06012	0.9
158.99669	0.7
160.07568	1.5
160.09679	0.5
160.10951	0.4
167.04616	0.6
170.06006	7.8
170.08234	0.5
176.05240	0.6
188.07069	28.7
188.09093	1.6
188.10663	0.6
189.05476	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.35105	0.4
53.03903	0.8
55.01838	0.9
55.05457	1.6
56.35190	0.4
57.03398	0.7
60.09676	0.4
60.19751	0.4
61.02871	1.2
63.02386	0.3
67.05460	1.0
68.99744	1.0
69.03428	10.5
69.07027	0.7
71.04939	0.7
71.20749	0.8
79.05429	1.2
80.39351	0.3
81.03362	0.9
81.07001	1.5
83.04981	4.3
85.02850	1.3
91.05483	8.1
92.76931	0.4
93.06995	0.5
95.04929	0.5
95.08551	1.1
99.04398	1.7
103.05414	1.7
105.03337	1.7
105.03973	0.4
105.07028	10.6
106.96521	0.4
107.08551	1.4
109.10119	0.6
111.04483	2.0
115.05443	11.0
117.07038	2.3
118.04144	0.5
119.04913	1.6
119.08584	8.1
120.30573	0.4
121.10126	0.7
127.03862	0.4
128.06221	6.5
129.03363	9.7
129.05452	2.9
129.06978	2.5
130.04080	0.7
130.06512	0.5
130.07709	0.7
131.04909	2.4
131.08560	1.2
132.05669	1.9
133.06496	7.6
133.10130	5.9
141.06937	0.6
142.04135	0.5
143.04918	3.4
143.07500	0.7
143.08560	9.4
145.06465	1.5
145.10135	2.5
146.07222	0.7
147.04387	1.8
147.06451	0.6
147.08014	1.5
147.11679	2.4
148.05199	0.6
155.06020	0.6
156.09312	1.6
157.06525	1.4
158.07242	0.6
159.08046	1.1
159.11656	0.5
160.05194	66.1
161.05978	100.0
161.09587	7.3
161.13242	1.4
162.06389	0.6
171.08070	3.7
171.11656	4.0
174.06776	5.1
174.10414	1.4
189.05495	21.6
189.09102	81.2
189.12653	9.7
189.16356	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03923	0.6
55.01867	1.4
55.05513	3.0
56.96551	0.9
57.03404	1.0
61.02909	1.5
67.05472	1.7
68.99761	0.6
69.03436	15.3
69.07055	1.5
71.04960	2.0
71.54884	1.0
79.05472	2.1
81.03416	1.4
81.07069	3.7
83.04981	6.2
83.08593	0.9
85.02886	2.1
91.05492	10.3
91.99177	0.7
93.07043	1.7
95.04955	0.5
95.08611	3.9
98.62614	0.6
99.04447	1.9
103.05480	1.5
105.03365	2.4
105.06316	0.8
105.07031	15.2
106.96558	1.1
107.04952	1.0
107.08578	1.9
111.04437	3.4
115.05460	10.3
116.06215	0.8
117.07003	3.0
118.04184	0.7
119.04958	1.8
119.08586	13.1
121.06487	1.1
128.06238	7.1
129.03377	12.5
129.05457	4.4
129.06998	3.8
130.04137	0.7
130.06511	3.0
130.07765	1.0
130.66133	0.7
131.04951	3.1
131.08588	3.3
132.05699	2.1
133.06493	8.4
133.10146	10.3
141.07047	1.2
143.04929	2.8
143.08565	10.8
144.08125	1.4
145.06555	1.2
145.10118	3.3
146.03673	1.1
146.07260	1.0
147.04416	2.6
147.08060	1.8
147.11670	5.6
156.09358	2.8
157.06541	1.6
158.07365	0.6
159.04399	1.0
159.08031	0.8
160.05202	57.7
161.05984	100.0
161.09618	8.4
161.13275	2.1
162.06335	0.8
171.08009	4.4
171.11699	5.1
174.06711	5.8
174.10419	1.7
189.05493	30.9
189.09114	89.9
189.12685	16.8
189.16377	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37784	0.6
52.76535	0.6
53.03946	0.6
55.05500	1.8
67.05501	1.2
69.03439	5.9
69.07071	0.8
70.59098	1.4
70.59451	1.3
79.05488	1.8
81.07041	1.1
83.04972	1.8
91.05484	5.1
93.07038	1.5
95.04929	1.0
103.05466	1.0
103.21079	0.6
105.07035	10.7
107.08600	2.2
109.06534	0.7
117.06990	3.1
119.04967	0.7
119.08590	18.9
121.06535	1.0
121.10133	1.0
128.06209	2.2
129.03374	1.9
129.06984	2.4
130.07805	3.6
131.05017	0.8
131.08571	5.2
133.06473	2.4
133.10144	7.4
133.48642	0.6
134.57480	0.7
135.08049	2.4
141.06995	6.7
143.08577	5.3
144.09346	1.8
145.06488	1.8
145.10135	13.3
146.07228	0.7
146.10829	0.8
147.08061	10.2
147.11691	13.4
153.06996	1.1
155.08597	1.9
156.09354	38.5
159.08054	7.5
159.11710	11.2
160.08824	2.8
161.06020	1.6
161.09625	3.6
161.13278	8.4
171.11696	53.1
172.11971	0.6
174.10416	12.5
189.05438	3.8
189.09273	2.9
189.12752	100.0
190.13017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.3
56.49097	1.0
58.79830	1.1
69.03429	3.8
69.80538	5.8
74.07533	1.0
79.05480	1.6
83.04967	1.7
91.05478	5.3
105.07047	10.4
117.07019	4.0
119.08598	15.1
121.10175	1.0
128.06245	1.6
129.03363	2.9
129.05426	1.2
129.07040	2.3
130.07784	3.6
131.08594	5.8
133.06488	2.6
133.10133	4.2
141.07007	5.7
142.07756	1.2
143.08577	4.7
144.09377	1.3
145.10155	15.2
146.10541	1.3
147.08070	4.1
147.11708	14.4
155.08553	1.4
156.09366	44.3
159.08113	5.3
159.11714	10.6
161.09666	1.3
161.13278	2.2
171.11703	59.8
174.10435	8.6
189.05470	7.1
189.09259	4.9
189.12762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42722	1.2
55.05503	1.8
60.23272	1.1
60.75731	1.2
69.03423	5.0
69.07078	2.8
69.54705	4.9
79.05466	1.5
81.07055	1.5
91.05488	7.7
92.23920	1.3
93.07050	1.2
95.57883	1.2
98.99166	1.2
104.83022	1.2
105.07054	12.7
107.08557	1.8
117.07020	4.1
117.61527	1.0
119.04906	1.5
119.08605	17.0
121.06507	1.3
124.80922	1.1
128.06210	2.5
129.03404	3.3
129.07024	7.3
130.07796	4.9
131.04987	1.7
131.08594	7.9
133.06464	2.4
133.10179	4.8
141.07005	5.4
143.08580	6.3
144.09349	2.5
145.10129	15.5
146.07269	4.3
147.08067	5.2
147.11708	18.7
155.08600	1.7
156.09363	37.4
159.08049	5.1
159.11705	9.0
160.08922	1.6
161.06015	9.8
161.09647	10.8
161.13228	3.3
171.11711	51.0
174.06805	1.9
174.10455	9.0
189.05544	6.4
189.09158	16.6
189.12772	100.0
190.13177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03951	1.8
55.05511	12.9
57.03437	1.5
61.02905	4.1
67.05499	6.7
69.03435	29.0
69.06754	1.7
69.07069	12.5
71.04976	2.2
74.98619	1.1
79.05479	4.8
81.03399	4.1
81.07056	8.5
83.04984	17.9
83.08607	5.4
85.02888	2.6
90.30116	1.2
91.05479	11.9
93.07037	7.0
95.08608	39.1
98.20779	3.0
99.04445	8.1
104.86478	1.2
105.07030	35.5
106.96571	3.3
107.08591	13.2
109.10158	5.6
109.27544	1.3
111.04471	7.7
117.07039	2.1
118.04149	1.6
119.08583	62.1
121.02921	1.5
121.10149	6.2
124.97608	2.8
129.03363	19.2
129.05464	14.9
131.04945	2.1
131.08553	5.0
133.10132	53.8
145.10141	7.9
146.10878	1.8
147.06546	2.7
147.10501	2.0
147.11685	36.6
147.62488	1.3
149.02295	3.4
159.11711	2.8
160.12489	4.6
161.06015	4.3
161.13269	8.7
162.05589	1.5
174.06856	2.0
174.14140	1.2
189.05470	37.8
189.07318	2.5
189.09138	4.4
189.12753	5.1
189.16383	100.0
194.34166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.164
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03951	2.4
55.01874	2.5
55.05515	9.6
56.96556	3.5
57.07061	2.2
61.02924	5.1
65.03938	2.2
67.05237	1.1
67.05516	11.2
69.03436	34.9
69.07069	7.0
69.15801	1.8
69.16201	11.1
71.04985	5.0
79.05499	8.2
81.03420	2.7
81.06586	1.8
81.07069	29.3
83.04995	19.7
83.08621	3.8
84.04523	1.3
85.02894	4.5
91.05490	20.7
93.07058	13.8
95.04996	2.1
95.08615	47.0
98.20723	3.1
99.04466	6.5
102.03371	2.1
103.01595	1.2
103.05482	2.6
105.07040	70.6
106.96571	2.0
107.08607	20.9
108.83058	1.3
109.10165	14.5
111.04449	8.3
115.05451	1.9
116.92973	1.4
117.07006	4.2
118.04174	2.5
119.04961	11.4
119.08596	71.6
121.06532	1.7
121.10153	10.5
124.04681	1.9
124.97579	2.8
125.09660	1.2
128.06248	7.2
129.03387	32.0
129.05486	15.7
129.07011	3.7
130.07771	1.8
130.33359	1.5
131.04962	3.6
131.08636	7.2
133.06499	5.8
133.10146	78.5
134.10686	1.1
142.98714	1.3
143.08617	8.5
145.06499	1.6
145.10135	9.6
146.03802	1.2
146.07324	3.3
146.10867	3.0
147.06479	2.5
147.08075	6.3
147.11703	43.4
149.02393	1.7
154.49699	1.7
156.09363	5.4
158.07272	2.3
159.04388	1.6
159.08040	2.6
159.11719	2.3
160.12514	1.4
161.05989	11.6
161.09625	22.6
161.13277	18.4
171.08072	3.5
171.11700	9.0
174.06805	7.4
174.10350	4.1
189.05495	76.6
189.07401	3.7
189.09106	43.4
189.12750	27.4
189.16403	100.0
190.06116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0863
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.01867	0.9
69.03439	0.5
70.03761	0.4
70.88123	0.7
73.02920	2.9
75.00272	0.4
91.05478	1.3
91.50829	0.3
96.08931	0.4
103.05460	1.0
105.06959	0.5
106.07365	0.6
115.05489	1.0
117.05756	0.6
117.07019	4.7
118.06544	20.5
120.05270	0.4
128.04913	0.4
130.06529	100.0
131.07234	0.6
132.08080	2.4
133.10114	0.3
134.10500	0.5
142.06511	0.5
143.07298	4.5
144.08084	67.0
145.06450	0.9
145.08421	0.5
147.04396	0.5
149.02293	1.1
149.19194	0.4
154.06471	1.6
155.06050	1.2
159.06694	0.6
160.07576	3.3
162.06381	0.5
171.56506	0.3
172.07573	22.5
190.06035	1.6
190.08632	9.9
190.13026	1.1
190.16710	0.6
191.14182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99066	0.4
55.05510	0.8
56.96555	1.0
57.07074	17.3
59.00605	0.4
59.99104	3.1
69.07031	0.4
70.71653	0.9
78.00153	27.3
79.05479	0.5
83.04936	0.4
84.08131	0.4
85.85316	0.4
86.09705	7.2
89.65017	0.4
91.05444	1.0
92.01714	0.7
93.07040	0.6
95.08610	0.7
95.20984	0.3
95.35801	0.4
98.21446	0.4
102.03374	0.8
105.07035	0.8
106.07352	0.5
107.08548	0.6
109.10072	0.5
111.04483	0.6
116.05293	0.7
117.07053	0.4
118.06559	1.0
119.03690	0.5
121.06452	0.4
121.10155	0.6
124.04649	1.8
126.60538	0.4
129.05400	0.4
130.03668	0.9
130.06531	3.2
131.04919	0.4
133.10124	0.5
134.06351	33.2
137.03615	0.4
144.08063	2.8
144.47226	0.5
145.10051	0.4
146.04158	0.6
147.04382	0.9
148.07881	2.7
149.02339	2.5
150.17166	0.4
162.05489	1.6
172.07605	0.9
186.17577	0.4
190.06111	2.8
190.12601	100.0
191.07024	0.5
191.10548	0.4
191.12819	0.7
191.14374	0.9
191.18079	0.7
199.46498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88912	1.7
53.03938	3.3
55.01861	7.5
55.05497	3.2
56.96572	52.4
57.03439	23.3
57.07076	2.7
59.04993	2.0
61.02938	11.8
65.03944	1.7
67.05490	5.5
68.67691	1.6
69.03436	30.9
69.07059	2.8
71.01334	2.7
71.04987	6.1
71.33092	2.1
71.33432	2.4
71.95258	1.9
72.93780	4.1
73.02924	33.8
79.05480	6.5
81.03431	13.7
81.07045	3.1
82.73417	1.9
83.04973	4.4
84.96030	6.5
85.02428	3.1
85.02909	44.1
85.03426	2.4
85.06529	3.1
86.09728	2.5
87.04450	4.6
89.00786	3.5
90.94798	3.2
91.03948	3.5
91.05480	7.1
92.05035	4.0
93.07028	3.4
95.00783	3.8
95.04981	2.9
95.08615	2.3
96.01530	3.0
97.02901	33.6
98.01302	3.3
98.97595	100.0
99.04453	5.1
100.02489	2.6
100.36081	1.7
100.99162	4.2
101.00798	7.3
102.01543	2.2
103.03932	2.4
103.05508	9.0
104.01287	6.3
105.03418	1.6
105.07020	7.4
107.04949	4.7
107.08595	7.1
108.01537	3.9
109.02887	5.2
109.06512	5.5
109.10190	4.3
110.01283	18.6
110.97582	41.5
111.04411	3.6
112.99139	5.3
115.02403	1.9
116.01253	6.7
116.98627	29.4
117.02070	4.8
117.07021	5.3
117.54514	2.0
119.00195	2.2
119.01823	30.4
119.08588	4.8
120.04481	36.0
121.02876	4.5
121.06501	5.4
121.10148	4.5
122.01245	2.6
123.02044	2.6
123.08064	2.0
123.11711	5.0
124.99156	2.4
125.01795	5.4
126.96998	2.1
127.02386	2.2
127.03937	8.4
128.02345	11.6
128.98619	37.9
131.00221	16.3
131.01784	11.8
131.04930	9.3
131.08577	7.3
132.04454	6.2
133.10138	11.7
134.99663	6.3
135.08017	5.4
135.11671	2.4
137.01759	6.2
137.05997	3.0
138.02611	2.3
139.03928	3.5
140.02295	9.3
140.04684	1.9
140.98578	2.2
141.02061	2.1
143.00142	7.6
143.01817	3.9
144.98154	2.9
145.01662	2.8
145.03438	9.4
145.05005	4.0
145.06477	3.4
145.07581	2.2
145.10255	5.8
145.14178	4.2
146.02335	13.6
146.05989	3.8
146.99667	18.7
147.03151	2.2
147.11717	3.3
149.01239	33.7
149.02542	3.0
149.02863	2.7
149.09616	3.6
149.13242	2.5
149.96069	4.5
149.97188	2.1
150.96867	2.5
152.02284	6.6
152.98682	2.3
155.02832	7.2
158.10910	2.7
158.99675	17.5
159.03224	1.7
159.04417	8.0
161.01218	5.7
161.02916	6.7
162.99162	2.2
163.02766	2.1
163.07539	4.3
164.02274	4.0
165.00755	2.0
167.02271	6.1
167.97169	2.7
168.05113	4.5
170.03262	2.1
170.99661	23.9
172.97653	2.9
173.01329	3.4
173.02838	9.0
173.09474	2.2
173.13278	7.6
176.04843	2.9
177.00703	11.0
179.02051	2.0
179.55373	4.1
182.03357	2.4
182.99669	5.6
188.55936	1.6
189.00717	17.9
190.98680	2.8
191.02144	3.7
191.03751	2.7
191.05704	1.8
191.06793	10.5
191.08295	6.1
191.10699	5.6
191.14313	24.8
192.10054	2.1
199.99750	1.7
201.00697	10.7
206.97690	1.6
213.00732	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.0
57.03434	0.8
57.07055	1.2
61.60787	0.7
67.05485	3.3
69.03424	9.6
69.03773	1.2
69.07072	5.5
71.05195	1.5
79.05495	6.8
81.07049	4.7
83.04977	2.5
83.08601	2.4
85.06535	1.3
88.83414	0.8
91.05484	4.8
92.32999	0.7
93.07053	7.3
95.04937	1.8
95.08590	4.0
97.06516	2.3
103.05484	1.2
105.07038	14.3
107.04974	2.6
107.07875	1.2
107.08598	24.3
109.06511	2.2
109.10167	6.4
115.05400	1.0
117.06966	1.5
119.08587	7.0
121.06500	2.6
121.10146	14.4
122.07291	2.3
123.08045	2.9
123.32188	0.7
129.07050	1.0
131.08574	10.5
133.10129	100.0
135.08057	7.1
135.11678	3.5
137.09613	15.5
143.08577	3.1
145.10098	5.9
147.11685	5.3
149.09625	7.7
149.13271	12.1
158.10905	5.3
160.05011	1.7
163.14813	4.5
173.13272	19.4
191.06999	1.8
191.14308	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	191.1432
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.03938	1.2
55.05519	6.1
57.03423	1.1
57.07085	2.1
59.58591	1.0
67.05516	7.2
69.03436	9.8
69.06791	0.9
69.07078	11.3
71.04999	1.1
71.07677	1.8
79.05483	7.9
80.85784	0.9
81.07067	13.3
83.04996	9.5
83.08632	3.7
85.06573	0.9
85.56124	1.0
91.05491	9.9
91.31359	0.9
93.07054	14.8
95.04970	9.0
95.08617	20.0
97.06525	6.4
101.12754	1.1
105.07040	12.3
107.08608	43.7
109.06551	7.6
109.10163	3.3
111.08077	1.4
116.06207	1.0
117.07009	2.1
119.06079	1.4
119.08605	9.8
121.06526	12.4
121.10152	31.8
123.08118	5.6
130.07817	1.0
131.08572	10.9
133.06592	1.7
133.10135	15.3
135.08060	16.8
135.11699	8.0
136.08824	1.9
137.09631	2.5
143.08569	3.2
144.09390	1.7
145.10130	7.4
147.08081	2.3
147.11694	14.2
148.08830	3.3
149.09639	100.0
149.13280	13.5
158.10950	6.6
160.05087	25.3
161.09576	1.1
163.14845	9.5
173.13283	29.0
176.11998	1.4
191.14331	97.1
192.07773	4.9
195.20370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22171	1.7
55.01879	2.1
55.05526	7.7
55.87043	1.6
57.07063	1.9
66.13850	1.5
67.05526	9.3
69.03429	8.5
69.07075	15.6
71.04987	6.0
71.19345	2.1
71.19674	2.8
72.87238	1.6
79.05496	11.2
81.07070	15.5
83.04980	7.7
83.08612	5.0
85.06544	3.9
91.05064	1.7
91.05499	18.4
91.85235	2.1
93.07055	19.9
95.04991	10.2
95.08620	21.0
97.06544	9.1
103.05490	16.0
105.03430	1.9
105.06381	3.0
105.07042	34.8
107.04940	5.0
107.08604	39.2
109.06548	10.7
109.10142	6.4
111.08073	2.1
115.05458	2.7
116.06187	2.0
117.07035	4.1
118.04166	2.0
119.04964	2.0
119.08590	13.9
121.06528	11.7
121.09338	2.2
121.10166	29.4
123.08055	7.9
129.07001	4.6
130.07841	3.1
131.04948	11.1
131.08592	38.9
133.06509	2.9
133.10144	100.0
135.08067	21.0
135.11703	9.7
143.08565	6.6
145.06526	2.8
145.10136	19.5
147.08099	2.3
147.11693	19.9
148.05173	6.0
148.08844	3.0
149.09636	39.9
149.13272	12.8
156.09505	1.7
158.10909	10.2
159.04482	2.3
159.08058	4.4
160.05083	44.5
161.09660	2.1
163.07584	10.3
163.11223	3.2
163.14798	9.3
173.05991	3.7
173.09587	2.0
173.13283	61.6
176.04724	3.6
191.06976	14.5
191.10760	13.2
191.14330	94.6
192.07747	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	2.1
55.05496	3.1
56.32891	1.1
57.03429	2.4
57.07072	1.1
63.46995	0.8
65.03916	1.1
67.05497	2.8
69.03428	8.2
69.07079	6.0
69.98293	3.5
69.98708	1.5
71.05000	4.9
79.05491	6.8
79.12196	1.0
81.07058	6.0
83.04974	2.6
83.08625	2.6
85.06532	3.2
91.05489	11.1
93.07050	11.9
95.04987	1.6
95.08615	5.8
97.06555	4.6
103.05483	1.6
105.07042	31.2
106.05229	1.0
107.04957	1.4
107.08604	22.0
109.06511	3.7
109.10176	5.7
111.08086	2.1
114.80374	0.9
117.07022	4.1
119.08583	11.1
121.06503	3.9
121.10158	16.9
122.07280	1.3
123.08060	4.0
129.07005	2.1
131.04956	2.7
131.08580	23.8
133.10143	100.0
135.08054	8.4
135.11670	3.4
137.09624	8.0
143.08601	4.5
144.09352	1.4
145.10127	10.4
147.10646	1.4
147.11710	13.3
149.09691	4.8
149.13266	9.9
158.10925	8.9
160.05170	1.1
163.07561	1.6
163.11218	1.4
163.14803	4.4
173.13281	43.0
191.07007	3.4
191.10715	2.0
191.14319	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05515	3.3
57.07095	1.0
67.05510	2.7
69.03435	7.0
69.07075	2.6
69.98762	2.0
71.04979	0.6
75.26828	0.4
77.03955	0.5
77.49596	0.5
79.05505	5.5
81.07055	5.2
83.04983	2.2
83.08617	0.9
84.24096	0.5
85.06548	0.7
91.05485	4.9
93.07050	5.3
94.23413	0.5
95.04970	0.8
95.08620	2.5
96.04437	0.5
97.06568	0.7
98.21473	0.6
103.05498	1.3
105.07035	10.7
107.04967	2.3
107.07874	0.8
107.08602	16.4
109.06543	1.4
109.10166	6.7
115.05445	0.8
117.07036	1.1
118.07835	0.9
119.06154	0.5
119.08609	4.0
121.06530	1.5
121.10149	12.1
121.26523	0.5
122.07288	2.3
123.08096	1.9
129.07071	0.8
131.08585	7.4
133.10144	100.0
135.08055	4.4
135.11684	1.8
137.09625	15.2
143.08556	2.0
145.10135	3.1
147.11676	2.1
149.09631	1.5
149.13274	11.0
158.10899	2.6
160.05002	0.9
163.07578	0.6
163.14824	2.3
169.09384	0.5
173.06029	0.6
173.13284	11.2
176.04819	0.7
189.43623	0.5
191.07088	1.3
191.14336	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.0
57.03434	0.8
57.07055	1.2
61.60787	0.7
67.05485	3.3
69.03424	9.6
69.03773	1.2
69.07072	5.5
71.05195	1.5
79.05495	6.8
81.07049	4.7
83.04977	2.5
83.08601	2.4
85.06535	1.3
88.83414	0.8
91.05484	4.8
92.32999	0.7
93.07053	7.3
95.04937	1.8
95.08590	4.0
97.06516	2.3
103.05484	1.2
105.07038	14.3
107.04974	2.6
107.07875	1.2
107.08598	24.3
109.06511	2.2
109.10167	6.4
115.05400	1.0
117.06966	1.5
119.08587	7.0
121.06500	2.6
121.10146	14.4
122.07291	2.3
123.08045	2.9
123.32188	0.7
129.07050	1.0
131.08574	10.5
133.10129	100.0
135.08057	7.1
135.11678	3.5
137.09613	15.5
143.08577	3.1
145.10098	5.9
147.11685	5.3
149.09625	7.7
149.13271	12.1
158.10905	5.3
160.05011	1.7
163.14813	4.5
173.13272	19.4
191.06999	1.8
191.14308	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.07404	0.9
53.03936	1.9
55.01857	1.9
55.05509	5.6
57.03430	1.3
57.07059	1.4
59.05000	1.3
59.60493	0.9
65.03936	1.8
67.05178	1.3
67.05508	21.1
69.03437	6.4
69.07072	10.3
70.18636	2.0
70.18993	2.4
71.04995	23.6
79.05492	14.9
81.07057	14.4
83.04974	3.3
83.08628	4.4
85.06549	10.2
87.33448	0.9
91.05481	22.0
93.06461	1.6
93.07050	21.4
95.04964	14.3
95.08609	18.9
97.06538	8.2
102.04688	1.5
103.05467	7.7
105.07034	35.5
107.04944	4.1
107.08598	51.4
109.06520	55.8
109.10158	68.9
111.08087	2.2
115.05463	2.7
116.06205	1.2
117.07013	7.1
118.04166	1.6
119.06029	1.1
119.08582	14.0
121.06516	8.3
121.10144	49.5
122.07261	1.1
123.08074	26.5
123.11695	1.6
129.07005	3.7
130.04164	0.9
130.07773	1.1
131.04935	6.0
131.08572	50.9
132.18666	1.0
133.02863	1.8
133.06566	1.9
133.10136	66.3
135.08058	62.8
135.11711	9.7
137.09633	6.2
143.08560	4.7
144.09297	1.7
145.06473	2.4
145.10136	14.1
145.11176	1.7
147.04361	1.0
147.08095	1.6
147.11688	13.9
148.05156	2.6
148.08832	1.8
149.09631	12.6
149.13261	14.6
150.10356	2.1
158.10895	7.2
159.04395	1.9
159.08092	1.6
160.05098	5.3
161.09654	2.5
163.07553	6.2
163.11208	3.1
163.14810	3.6
173.05960	1.2
173.13272	50.5
176.04671	2.1
176.11949	2.0
191.03386	2.1
191.07054	10.9
191.10695	6.5
191.14310	100.0
191.17934	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	191.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.2
57.07055	2.3
67.05498	7.5
69.07070	27.7
77.03894	1.2
79.05482	11.1
81.07053	9.8
83.08608	9.7
91.05471	4.0
93.07045	33.5
95.08611	50.9
97.10160	5.7
105.07010	6.1
107.08595	36.3
109.10153	26.6
111.11703	3.5
119.08572	2.1
121.10143	50.6
123.11674	4.6
131.08621	1.8
133.10127	4.1
135.08061	2.6
135.11694	43.2
149.13292	9.3
160.05089	4.7
163.05885	1.7
163.14847	1.7
164.68546	1.3
173.13184	1.9
191.08923	1.9
191.10576	3.3
191.14334	6.5
191.17950	100.0
192.06502	1.8
192.10184	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03942	2.0
55.05513	14.3
57.07069	2.5
67.05509	12.0
69.07073	31.9
69.26729	0.6
70.23534	1.7
70.90182	0.6
71.08630	0.8
79.05500	8.7
81.07063	15.2
83.08630	15.3
84.06073	0.7
91.05476	5.8
93.07050	37.7
95.08612	77.3
97.10174	8.7
98.20738	0.8
105.07040	5.7
107.08602	46.9
109.10165	35.8
111.11723	2.7
119.08593	1.5
121.10151	77.3
122.10462	1.1
123.11703	6.8
133.10139	1.9
135.08081	0.9
135.11699	53.9
147.11703	1.4
149.13254	11.8
160.05064	1.3
163.14833	2.0
170.14330	0.8
173.13234	0.8
177.07884	0.7
182.62648	0.6
191.10689	1.6
191.17960	100.0
192.18346	1.3
193.11671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05509	8.2
55.91468	1.0
56.96547	3.4
57.07059	2.2
66.82587	1.0
67.05511	8.7
69.03427	1.8
69.07065	22.9
70.95757	1.6
70.96099	2.4
71.04982	3.0
79.05505	7.9
81.07065	9.9
83.04991	2.4
83.08618	11.0
90.80541	1.0
91.05464	8.5
93.06480	1.9
93.07046	26.8
93.90197	1.1
95.04993	1.4
95.08612	47.3
97.06512	1.2
97.10178	5.9
103.05440	1.7
105.07028	8.7
106.25756	1.1
107.04926	1.1
107.08598	36.1
109.06538	2.7
109.10158	24.8
111.11708	1.6
114.95385	1.3
117.07019	2.4
119.08574	4.3
121.06519	3.3
121.10146	51.9
122.11420	1.1
123.08052	2.6
123.11746	6.4
129.07008	1.2
131.04913	3.1
131.08553	8.0
132.96437	4.6
133.10147	7.2
135.08069	8.1
135.11696	33.0
135.46756	2.4
141.96989	3.9
144.09413	1.2
144.47238	4.9
145.10153	6.4
147.11684	3.3
149.09610	2.8
149.13260	10.2
153.47780	2.6
158.10912	2.0
159.04358	2.6
160.05035	3.7
163.05905	1.2
163.14958	1.4
173.09615	1.3
173.13271	12.4
191.05554	1.1
191.06943	5.6
191.08728	1.5
191.10713	2.9
191.14331	23.0
191.17953	100.0
192.06461	1.2
192.10257	2.3
192.18091	1.0
207.01271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05515	8.1
57.07066	2.8
67.05512	10.0
69.07076	26.5
69.91949	1.1
69.92345	2.1
79.05510	8.2
81.07065	12.9
83.05006	1.1
83.08627	9.7
91.05473	5.3
93.07054	30.0
95.04996	1.0
95.08618	54.0
97.10180	6.8
105.07018	3.9
107.08607	41.6
109.06506	1.7
109.10165	28.0
111.11715	1.7
114.95410	0.9
119.06039	0.8
119.08591	2.8
121.06481	1.1
121.10156	57.0
123.08092	1.6
123.11716	5.2
123.95964	1.0
131.08565	2.3
132.96477	1.7
133.10118	3.2
135.08057	1.3
135.11710	40.3
141.96994	1.5
144.47272	1.9
145.10118	1.5
147.11713	1.6
149.13283	11.6
153.47781	0.9
159.04350	0.9
163.14824	1.6
173.13300	2.2
191.07051	1.2
191.10625	1.8
191.14348	7.9
191.17969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05520	8.4
57.07074	2.1
67.05512	6.9
69.07073	23.4
69.33706	6.2
69.34109	2.3
75.40665	0.9
79.05502	9.3
81.07055	8.0
83.08622	9.2
91.05477	2.5
93.07050	30.0
95.08613	55.1
96.84483	1.1
97.10191	5.6
98.21468	1.5
105.07022	3.8
107.08603	35.0
109.10168	23.8
111.11723	1.3
121.10152	55.4
123.11707	4.5
125.66633	0.9
135.11694	38.7
147.11665	1.4
149.13263	9.1
163.14795	1.1
191.17960	100.0
192.18347	1.8
213.42151	1.0
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
51.22739	0.7
51.81752	0.6
55.05511	7.0
57.07056	1.6
60.24317	0.8
67.05503	6.5
69.07069	21.1
71.08628	0.9
79.05496	6.8
81.07059	8.8
83.08623	7.6
89.06994	0.8
91.05472	3.0
93.07041	25.4
95.04991	0.9
95.08610	47.6
97.10159	4.9
98.20747	2.0
105.07022	3.6
107.08595	29.6
109.06503	1.2
109.10158	19.3
111.11724	0.9
119.05959	0.8
119.08553	0.8
121.10143	44.3
123.11707	4.4
128.56361	0.8
131.08563	1.1
133.10133	1.6
135.08096	1.1
135.11696	33.2
135.12729	1.8
145.10091	0.9
147.11708	1.3
149.09610	0.8
149.13251	6.8
160.05046	1.5
163.14832	2.0
173.09528	0.9
173.13292	1.1
191.10637	1.3
191.14375	4.1
191.17949	100.0
192.10216	0.8
192.18306	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81048	0.8
55.05512	9.9
57.07061	3.3
60.51678	0.9
66.18079	0.8
67.05232	1.0
67.05508	10.5
69.03432	1.5
69.07074	32.6
69.90150	2.2
69.90561	2.5
70.44887	0.8
71.04973	1.4
79.05492	10.7
81.07067	13.6
83.08217	1.0
83.08634	12.1
88.62853	1.0
91.05491	7.8
93.07054	33.6
95.04961	1.0
95.08615	56.9
97.06507	1.0
97.10180	6.0
101.39583	0.9
103.05458	1.7
105.04540	1.1
105.07027	6.7
107.04982	1.2
107.08603	49.5
109.06486	2.2
109.10164	30.1
111.11727	1.6
112.50730	0.9
117.06985	1.4
119.08563	5.4
121.06510	3.7
121.10153	60.7
123.08084	1.9
123.11739	7.2
131.04868	2.3
131.08577	4.0
131.22514	0.9
131.59277	1.1
133.10135	8.9
133.25432	1.0
135.08107	4.8
135.11707	46.5
135.53229	0.8
145.10126	4.0
147.11699	3.7
148.05252	1.3
149.09634	1.7
149.13272	11.4
158.10857	1.1
159.04436	1.8
160.05064	4.8
160.91597	0.9
163.05998	0.9
163.07533	2.6
163.14809	2.7
173.09669	1.4
173.13321	5.6
184.18053	1.0
187.18213	1.0
191.03383	1.6
191.07039	5.9
191.10699	3.1
191.14336	15.1
191.17960	100.0
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
52.61016	0.8
53.03938	1.0
55.01853	0.7
55.05512	8.1
57.07069	2.5
59.89015	0.8
62.01662	0.7
67.05505	8.5
69.03433	1.4
69.07069	23.2
69.68297	0.7
71.05000	0.8
75.06869	0.7
79.05492	8.8
80.40318	0.7
81.07055	10.8
83.04973	1.2
83.08615	9.7
85.06573	0.8
91.05482	6.5
93.07045	27.1
95.04985	1.8
95.08609	51.1
97.10158	4.5
103.05476	1.2
105.07045	4.4
107.04991	1.6
107.08595	39.0
109.06512	1.9
109.10158	26.0
111.11726	1.3
117.07021	2.0
119.04900	2.2
119.08598	2.3
121.06509	3.0
121.10144	51.2
123.08063	2.6
123.11699	6.5
131.04916	1.7
131.08553	3.0
133.10143	4.7
135.08047	3.1
135.11688	40.1
143.08510	0.9
143.34146	0.8
145.10117	2.7
146.43347	0.7
147.11662	2.4
148.05222	1.0
149.09605	1.6
149.12180	1.2
149.13254	9.7
157.63206	0.7
158.11014	1.1
159.04456	1.0
160.05055	4.9
163.05888	0.8
163.07596	1.5
163.11150	1.3
163.14828	1.7
173.09636	1.7
173.13315	4.1
182.39926	0.7
191.03383	1.8
191.07045	3.6
191.10741	4.2
191.14330	15.0
191.17947	100.0
192.13774	1.0
192.18304	1.4
196.09683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03922	1.3
54.20949	0.5
55.01871	3.9
55.05515	2.6
56.96527	1.5
57.03412	1.0
57.07048	1.1
59.04964	1.9
63.68479	0.5
65.03899	0.6
66.38283	0.5
67.05510	5.3
69.03398	2.1
69.07073	2.9
69.60638	1.0
69.61047	2.0
71.04942	0.9
73.02897	0.7
77.03890	0.5
79.05495	15.1
81.03402	1.1
81.07061	8.7
83.04967	1.8
83.08583	1.5
85.06528	2.3
89.03905	0.9
90.04697	0.8
91.04973	0.8
91.05489	9.8
93.07044	7.1
95.05006	2.6
95.08604	7.5
97.02882	1.5
97.06514	1.3
98.97589	3.6
99.08096	9.0
103.05467	14.0
104.06231	1.1
105.07034	98.0
106.07388	0.6
107.04975	1.9
107.08603	10.4
109.06522	3.5
109.10158	9.5
110.97571	1.0
111.04412	0.8
111.08129	0.8
115.05458	19.0
116.98632	1.7
118.04157	9.7
119.04971	1.8
119.08579	12.7
121.06551	0.8
121.10146	3.8
123.04465	0.6
123.08086	3.6
123.11739	2.3
128.02310	1.2
128.98590	0.9
131.04933	3.3
131.08592	1.0
132.05705	1.2
133.02888	1.7
133.06500	82.6
133.10118	12.9
134.06865	1.0
135.08086	0.8
135.11684	8.3
135.12695	0.5
137.06039	1.7
137.09625	4.4
143.04950	1.8
143.06111	8.5
146.03696	1.0
146.97571	0.6
146.99739	0.9
147.04419	3.3
147.08138	1.2
147.11707	4.4
149.06061	0.8
149.13321	2.3
150.03148	1.2
151.11208	1.3
158.99747	1.5
160.05077	7.9
161.06062	100.0
162.06375	1.0
165.04318	0.5
165.05580	2.0
165.09184	1.0
165.12770	0.5
175.04044	1.4
175.07651	1.0
175.11333	1.5
175.14827	12.3
177.00893	1.3
178.02753	2.2
178.06305	0.9
193.05034	11.0
193.08430	24.9
193.12393	2.2
193.15892	14.8
193.17628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.12324	1.6
53.03947	8.6
55.01862	5.0
55.05499	8.0
57.03441	100.0
57.07058	2.7
57.74040	1.6
65.03925	2.3
67.05505	17.2
69.03409	3.0
69.07036	4.8
69.80212	9.4
71.04982	3.4
72.01029	1.9
74.28549	1.8
75.04483	4.0
77.03902	2.1
79.05489	19.2
81.03426	18.0
81.07056	12.8
81.07440	2.3
83.08611	3.2
85.06550	9.6
91.05484	65.8
93.07047	71.7
95.04959	21.9
95.08611	11.0
97.06528	3.7
99.08081	6.9
103.05476	10.5
105.04481	2.0
105.07034	77.6
107.04951	5.8
107.08598	12.9
109.06515	6.9
109.10172	13.4
114.21430	1.9
115.05453	9.4
117.07014	14.7
118.04169	4.3
119.04974	2.6
119.08588	97.3
121.05672	3.3
121.06511	63.3
121.10129	3.8
123.08107	4.2
129.06961	3.8
131.04889	2.4
131.08527	5.3
133.02875	2.6
133.06502	38.7
133.10138	39.4
135.08011	5.4
135.11674	7.2
137.09618	32.8
142.07785	8.8
143.06010	3.0
145.06487	5.6
146.07254	13.9
147.04369	2.7
147.08046	35.9
147.11693	42.9
149.13278	2.5
157.10155	10.5
160.08841	8.3
160.60770	2.0
161.06041	36.3
165.00752	1.8
165.12784	2.4
175.11198	54.7
175.14813	12.7
178.07613	2.7
179.30463	1.9
193.04985	13.3
193.08606	12.4
193.10431	2.6
193.12231	17.6
193.15910	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03955	1.0
55.05513	9.3
57.03437	1.2
57.07080	4.2
59.05002	3.9
62.65769	0.9
63.34435	0.7
67.05178	1.4
67.05510	20.7
69.03419	1.1
69.07074	8.8
69.42700	4.1
69.43132	2.5
71.04994	4.9
77.16580	0.9
79.05494	10.2
81.07063	16.2
83.04974	3.4
83.08622	3.0
85.06551	18.9
91.05478	7.0
93.06477	1.3
93.07051	20.0
95.04961	2.9
95.08614	23.5
97.06529	1.5
97.10151	2.0
99.08099	100.0
103.05456	1.3
103.52328	0.9
105.07032	19.8
105.77721	0.8
107.08605	24.7
109.06524	5.9
109.10160	51.4
111.08071	2.9
115.05492	2.1
117.07027	1.0
119.08586	27.0
121.10150	30.8
123.08074	9.8
123.11723	10.9
123.96024	0.9
128.29579	0.9
131.08577	0.9
133.06482	6.4
133.10139	29.7
135.11699	39.7
136.12003	0.9
137.09621	21.0
138.10373	2.9
147.11690	3.6
149.13263	4.4
151.11165	7.3
151.14850	1.3
160.05093	0.9
161.05844	5.1
165.16383	2.6
175.14841	34.9
180.61342	0.8
193.05026	1.3
193.08459	3.7
193.15894	71.8
194.16190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.39888	0.9
55.05518	10.5
57.07089	5.2
59.04988	1.1
67.05509	17.3
69.03432	7.7
69.07073	15.6
71.04989	2.9
71.13095	1.0
71.13422	1.5
71.99088	1.0
73.67847	1.0
79.05484	5.7
81.07067	19.5
83.04983	13.9
83.08629	8.3
85.06533	3.7
91.05495	7.6
93.07047	17.0
95.04961	1.5
95.08614	44.5
97.06529	2.3
97.10183	1.9
99.08086	2.0
103.05460	1.0
105.06389	1.6
105.07039	18.5
107.08601	41.8
109.06522	8.8
109.10165	57.8
111.08083	9.0
117.07001	2.0
119.08586	55.7
121.10149	26.3
123.08074	25.7
123.11706	8.5
125.09615	1.8
131.08545	1.1
133.06490	2.8
133.09132	1.7
133.10143	34.0
135.11697	100.0
135.51196	1.1
137.09624	23.8
138.10391	3.0
145.10144	1.4
147.11699	3.6
149.13266	18.0
151.11172	7.4
151.14793	7.5
161.05960	3.6
165.16425	3.7
169.08565	1.2
175.14841	40.6
193.05098	1.2
193.08577	1.7
193.15892	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50100	0.9
51.66818	0.9
52.58101	0.9
53.03944	1.6
55.05518	11.5
57.03425	1.8
57.07071	4.4
59.04994	4.2
61.42030	1.0
61.44334	1.0
65.03939	1.8
67.05183	1.4
67.05511	19.7
68.96681	1.0
69.03410	1.6
69.07069	11.8
69.57428	4.4
69.57844	1.6
71.05003	6.2
79.05502	9.3
81.07064	22.1
83.04966	4.6
83.08639	4.8
85.06083	1.2
85.06556	19.4
91.05479	6.3
93.06473	1.7
93.07053	24.3
95.04962	3.7
95.08615	27.8
97.06542	2.3
97.10187	2.0
97.76734	0.9
99.08101	100.0
103.05479	1.9
105.07044	25.4
107.07873	1.7
107.08604	34.2
109.06521	6.5
109.10168	50.4
111.08047	4.2
115.05444	3.0
119.08594	31.0
121.10157	38.7
123.08079	14.4
123.11695	11.3
125.09621	2.4
130.72795	1.0
133.02885	1.2
133.06508	10.9
133.10152	34.4
135.11705	45.7
137.06073	1.0
137.08665	1.9
137.09633	24.5
138.10387	1.7
147.11696	3.3
149.13264	6.5
151.11186	6.7
151.14795	2.1
160.05087	2.9
161.05887	8.8
161.78633	1.0
165.12695	1.4
165.16376	3.2
175.14839	46.3
193.04988	2.8
193.08244	4.4
193.15901	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28574	1.2
55.05520	13.7
57.07064	4.8
59.04988	2.6
62.17346	1.4
67.05505	19.2
69.03438	7.8
69.06783	1.5
69.07076	16.2
70.85036	3.4
71.04987	3.6
79.05496	8.0
80.02718	1.3
81.03442	2.8
81.07055	26.7
83.04977	13.7
83.08620	10.6
85.06537	4.6
85.18204	1.3
87.58903	1.9
91.05488	8.3
93.07040	17.9
95.04980	4.2
95.08607	46.0
97.06538	2.7
99.08105	2.9
105.07025	25.0
107.08599	42.8
109.06519	9.9
109.10156	69.4
111.08091	6.9
115.05433	3.1
117.06976	1.7
117.80991	1.5
119.08581	54.3
121.10147	28.4
123.08070	27.7
123.11687	5.8
125.09633	2.6
133.06496	8.5
133.10132	36.2
135.11691	100.0
137.09613	22.8
138.10365	1.8
147.11665	3.0
149.13254	17.8
151.11183	8.0
151.14801	7.4
156.52115	1.8
161.05951	10.7
165.09100	2.0
165.16377	3.4
175.14835	47.8
193.08589	4.4
193.15884	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	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03943	2.0
55.05513	18.3
57.03419	2.0
57.07052	3.8
59.05000	2.7
65.03910	1.9
67.05505	20.8
69.03412	7.0
69.07067	18.5
70.79333	3.9
71.04995	4.6
79.05489	8.2
81.07059	28.0
81.81271	1.6
83.04986	14.7
83.08617	10.7
85.06539	2.8
91.05484	10.6
93.07044	23.1
95.04946	3.6
95.08605	56.4
96.08894	2.0
97.06518	5.4
97.10146	3.3
99.08106	2.2
103.05430	2.3
105.07024	31.8
107.08587	47.0
109.06503	16.3
109.10153	68.4
111.08078	10.1
115.05417	3.2
115.92560	1.6
119.08585	68.4
121.10134	34.9
123.08069	35.7
123.11733	10.2
129.71062	1.7
133.06516	13.2
133.10135	44.2
134.10844	1.8
134.11900	1.5
135.11693	100.0
136.11987	2.0
137.09613	36.6
138.10384	6.8
143.06007	1.9
147.11644	4.5
149.13272	19.0
151.11189	7.5
151.14835	7.3
161.05974	19.3
165.12779	4.3
165.16379	3.1
175.14828	55.0
193.08664	10.1
193.15884	87.3
198.43698	1.8
206.08418	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01858	4.3
55.05515	14.9
57.03433	3.2
57.07068	5.5
59.04993	3.2
65.03938	1.6
67.05505	18.6
69.03410	3.1
69.07072	35.7
69.22325	10.4
69.22740	3.5
71.04987	5.6
71.81059	1.6
77.03946	2.4
79.05492	21.7
81.03416	3.1
81.07061	36.3
83.04978	3.2
83.08625	15.0
85.06539	10.7
88.85398	1.5
91.05486	15.2
93.07044	28.7
95.04982	10.8
95.08614	34.6
97.06539	26.6
99.08099	28.2
103.05496	9.7
105.07035	66.9
107.08598	41.7
109.06523	39.0
109.10160	37.2
111.08063	9.2
111.11712	6.0
115.05453	12.7
117.06927	1.4
118.04168	5.0
119.08592	46.7
121.01743	1.4
121.10150	19.2
123.04439	1.7
123.08082	36.4
123.11720	11.6
125.09584	2.2
131.04916	2.3
131.08607	2.3
133.02882	1.7
133.06493	50.1
133.10138	78.9
135.11697	72.2
137.06003	4.3
137.09625	23.8
138.10352	1.9
139.04288	1.5
143.04948	2.0
143.06021	3.8
147.04355	1.8
147.08060	1.8
147.11662	11.4
149.13287	9.6
151.11194	6.5
161.06006	63.6
165.05396	2.4
165.09093	3.9
175.11040	1.9
175.13287	3.3
175.14830	65.5
178.02448	1.7
193.04991	9.3
193.08600	24.0
193.12230	3.7
193.15886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01867	1.5
55.05515	12.6
56.96566	1.6
57.07063	2.3
59.05007	2.8
65.03918	2.1
67.05225	1.2
67.05514	12.5
67.65074	1.2
69.07074	28.0
70.12545	2.8
70.12932	2.1
71.04994	17.4
71.80450	1.3
79.05504	9.7
81.03413	1.7
81.07062	24.0
83.04992	2.1
83.08605	2.4
85.06557	11.5
90.83093	1.2
91.05486	10.3
93.07048	28.2
95.04975	28.4
95.08614	24.0
97.06528	2.9
97.10198	9.3
98.20808	1.4
98.97585	1.8
99.08094	7.2
103.05460	1.3
105.07042	22.9
107.04955	1.7
107.08606	31.5
109.06528	100.0
109.10165	23.0
110.40755	1.4
110.97559	1.7
111.08069	5.4
111.11730	2.4
115.05463	1.4
119.04916	1.4
119.08588	30.4
121.10146	10.5
123.08073	9.0
123.11717	25.9
131.08598	1.6
133.02892	1.8
133.06491	6.8
133.10152	26.5
135.10687	2.7
135.11696	34.5
137.09631	14.3
143.06039	1.2
146.99693	2.6
147.04367	1.8
147.11703	9.1
149.13257	11.7
151.11191	6.8
151.14888	1.3
161.06084	9.1
165.05495	1.4
175.14839	46.8
193.05003	15.1
193.08531	3.4
193.12329	2.4
193.15897	91.4
194.08205	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	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50100	0.9
51.66818	0.9
52.58101	0.9
53.03944	1.6
55.05518	11.5
57.03425	1.8
57.07071	4.4
59.04994	4.2
61.42030	1.0
61.44334	1.0
65.03939	1.8
67.05183	1.4
67.05511	19.7
68.96681	1.0
69.03410	1.6
69.07069	11.8
69.57428	4.4
69.57844	1.6
71.05003	6.2
79.05502	9.3
81.07064	22.1
83.04966	4.6
83.08639	4.8
85.06083	1.2
85.06556	19.4
91.05479	6.3
93.06473	1.7
93.07053	24.3
95.04962	3.7
95.08615	27.8
97.06542	2.3
97.10187	2.0
97.76734	0.9
99.08101	100.0
103.05479	1.9
105.07044	25.4
107.07873	1.7
107.08604	34.2
109.06521	6.5
109.10168	50.4
111.08047	4.2
115.05444	3.0
119.08594	31.0
121.10157	38.7
123.08079	14.4
123.11695	11.3
125.09621	2.4
130.72795	1.0
133.02885	1.2
133.06508	10.9
133.10152	34.4
135.11705	45.7
137.06073	1.0
137.08665	1.9
137.09633	24.5
138.10387	1.7
147.11696	3.3
149.13264	6.5
151.11186	6.7
151.14795	2.1
160.05087	2.9
161.05887	8.8
161.78633	1.0
165.12695	1.4
165.16376	3.2
175.14839	46.3
193.04988	2.8
193.08244	4.4
193.15901	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.02251	0.6
53.03951	1.8
55.01873	2.2
55.05512	2.1
56.96561	1.1
57.03441	0.6
65.03942	1.1
67.05509	2.1
68.96360	0.6
69.03430	1.3
69.07069	4.2
69.18085	4.8
71.04989	0.9
77.03930	0.7
78.04723	0.5
79.05499	13.8
81.03419	1.2
81.07071	3.1
83.04984	1.6
91.05486	8.2
93.03365	0.9
93.07050	3.1
95.04990	4.3
95.08592	1.9
97.02909	0.5
97.06551	0.7
97.92331	0.4
98.97578	2.2
99.04468	0.5
99.08076	0.6
103.05473	11.7
105.03394	0.9
105.04512	0.7
105.06310	0.6
105.07029	11.9
106.04199	0.6
107.04959	100.0
107.08602	3.6
109.06516	0.9
109.10181	1.6
109.98962	1.1
110.03661	0.8
111.04447	0.9
111.08105	0.6
115.05460	7.7
116.98629	0.5
117.03367	1.0
117.07001	3.8
119.04936	1.3
119.08604	0.6
120.05727	3.6
121.02901	0.6
121.06493	2.1
121.10172	2.5
123.04426	1.8
124.05220	2.1
125.05984	1.4
128.02284	0.6
130.96292	1.2
131.04951	2.1
131.08600	1.0
133.02844	1.2
133.06468	1.5
133.10170	0.7
135.04422	0.6
135.08060	27.1
135.11725	1.7
137.05974	1.6
137.09634	1.3
137.13316	0.6
139.03918	2.2
139.07536	0.6
145.02838	2.0
145.06535	0.8
145.07515	2.3
147.04398	2.9
148.05168	1.0
148.97365	1.0
149.05994	1.6
149.09615	1.8
151.03914	1.8
151.07581	0.6
152.04713	1.4
153.05490	1.4
153.12656	0.7
153.97888	0.8
154.06252	6.2
158.99683	1.4
163.03935	3.5
163.07552	47.7
165.05525	2.0
167.07051	38.6
167.33284	0.5
171.98987	1.7
174.07301	0.8
177.00696	1.0
177.05486	4.0
177.09033	1.0
177.12767	0.7
177.16406	1.9
180.07822	8.8
183.03059	0.6
184.99162	0.5
195.02936	0.7
195.06456	1.9
195.08665	1.7
195.10175	49.5
195.17453	1.0
197.01231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03934	5.5
55.01858	2.8
55.05515	12.9
56.96564	2.4
57.03445	6.9
57.07079	2.9
65.03929	2.1
67.05213	1.6
67.05508	15.1
68.96333	1.6
69.03418	4.8
69.07072	28.8
70.64069	3.5
70.64423	2.1
71.04996	12.2
71.95260	4.6
72.93798	1.9
76.39034	1.4
79.05067	2.3
79.05499	35.1
81.03412	2.9
81.07063	35.1
83.08624	6.4
84.08155	2.0
85.06544	2.6
89.03883	1.4
89.06019	3.9
91.05486	23.5
91.51449	1.7
93.07047	56.4
93.08598	1.4
95.04983	9.1
95.08605	20.2
97.06530	4.7
99.08078	2.2
100.02472	1.8
100.89568	1.4
103.05458	2.3
105.04495	1.8
105.07035	18.1
105.60668	1.6
107.04962	17.7
107.08604	38.8
107.89207	1.5
109.06516	10.1
109.10162	2.1
109.98963	2.0
110.06582	1.4
111.08084	2.2
117.03394	2.5
117.07030	12.1
119.08597	9.5
121.06505	11.0
121.10139	15.4
123.08078	11.1
125.09553	1.5
129.07048	3.9
130.07793	2.5
130.96339	3.6
131.04892	1.5
131.08585	17.9
133.02837	5.8
133.06500	24.2
133.10143	4.5
135.04405	9.8
135.08084	9.0
135.11668	9.7
137.09717	1.5
144.09343	4.0
145.02921	6.8
145.03926	1.8
148.97339	2.5
149.05977	3.4
149.09601	3.9
149.13271	12.3
153.97937	3.0
159.11688	13.7
163.03911	100.0
167.07022	1.8
171.99013	3.0
177.05466	13.5
177.09128	2.7
177.12784	9.3
177.16393	10.5
195.02907	2.8
195.06508	4.9
195.08429	2.2
195.10118	2.3
195.11661	3.4
195.13841	5.3
195.15752	3.3
195.17450	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	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05509	15.0
57.07074	6.6
58.38762	1.0
67.05505	6.4
69.03136	1.0
69.03438	9.9
69.07072	35.6
69.40404	4.8
69.40823	4.2
71.04996	4.9
79.05496	7.5
81.07059	30.9
83.04961	1.8
83.08623	15.7
83.09360	1.1
85.06555	6.3
87.40973	1.1
91.05518	2.3
93.07047	18.6
95.08611	51.0
97.10187	10.1
99.08093	41.7
105.07016	3.1
107.04934	1.2
107.07869	2.1
107.08596	40.6
109.10159	13.0
111.08075	14.4
111.11697	3.2
113.09620	5.5
121.10146	65.4
123.11690	3.6
125.09625	29.3
135.11700	13.2
137.13255	19.2
139.11148	4.5
140.11909	1.0
149.13237	4.1
153.01810	1.5
153.12717	1.2
177.16396	100.0
195.15681	0.8
195.17448	21.0
198.13712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01865	2.6
55.05518	12.7
57.07069	3.6
58.55075	1.0
58.92242	1.0
65.32476	1.0
67.05506	4.9
67.51953	0.8
69.03426	7.3
69.07077	29.8
71.04996	4.8
71.13748	0.9
79.05511	7.4
80.50381	0.9
81.07064	26.1
83.04983	1.4
83.08629	14.0
85.06544	4.2
91.05480	2.7
93.07050	15.0
95.08615	51.6
97.06568	1.7
97.10165	6.8
99.08104	36.0
105.07053	3.8
107.04945	2.2
107.08607	42.3
109.10172	11.0
110.02625	0.9
111.08083	12.6
111.11704	1.9
113.09669	6.1
119.08571	1.6
121.10153	55.0
123.11684	4.9
125.09639	19.7
125.13265	1.0
133.10130	1.2
135.11713	13.5
137.13275	16.6
139.11174	4.4
149.13271	5.5
151.08136	0.9
177.16405	100.0
186.18306	1.0
195.17471	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	195.1747
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	1.5
54.17093	1.1
55.01864	5.7
55.05521	16.4
57.07076	4.1
65.28096	1.1
66.43023	1.1
67.05515	8.8
68.83153	1.2
69.03429	4.7
69.06729	2.0
69.07080	33.2
69.79268	3.6
69.79678	2.8
71.04975	4.8
79.05505	12.6
81.07069	35.8
83.04996	3.1
83.08628	14.4
85.06564	7.5
91.05482	3.6
93.07062	22.4
95.08620	56.1
97.10181	11.1
99.07489	2.6
99.08111	40.5
103.05460	2.2
105.07059	3.7
107.04958	4.6
107.08612	42.3
109.10168	12.2
111.08092	22.8
111.11700	2.9
113.09676	7.8
116.53524	1.2
119.08579	2.0
121.10161	62.9
123.11718	3.0
125.09643	6.7
130.96317	1.3
135.04384	1.8
135.11703	12.5
137.13277	17.7
139.03946	1.4
139.11201	6.0
145.02867	2.3
145.04102	1.3
149.13268	5.0
154.06268	4.5
159.49934	1.2
163.03943	3.2
163.07619	1.4
167.07069	1.5
177.05473	5.1
177.16411	100.0
195.02997	1.8
195.06647	1.8
195.10060	2.1
195.17462	18.5
213.30698	1.4
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	Unknow
Peak:m/z	Relative Intensity
50.22992	0.9
53.03953	1.1
55.01863	3.6
55.05508	15.3
57.03439	1.0
57.07067	5.2
57.72177	0.9
59.05001	1.0
67.05521	5.6
69.03427	8.6
69.07068	33.4
69.33628	7.5
71.04990	6.5
71.08637	1.4
79.05492	7.0
81.07056	31.7
83.04955	1.3
83.08619	14.4
85.06554	5.7
91.05471	4.2
93.07042	19.6
95.08606	54.3
97.10175	8.7
98.20789	2.0
99.08093	39.3
105.07023	4.3
107.08591	39.6
109.10161	12.7
111.08080	17.0
111.11712	3.3
113.09619	5.2
119.08602	1.3
121.10144	61.1
123.08097	1.0
123.11709	4.5
125.09631	21.1
135.11678	13.8
137.13251	20.5
139.11166	4.1
145.02776	1.1
149.13263	5.9
177.05409	1.1
177.16382	100.0
195.17442	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	195.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70709	0.9
53.03942	1.6
55.01877	4.4
55.05516	15.1
56.96566	1.0
57.07073	3.3
60.68613	0.8
67.05513	6.2
69.03432	3.0
69.07079	25.0
69.07464	1.4
70.78297	1.8
71.05001	4.9
71.08664	1.2
71.99286	0.9
79.05501	7.5
81.07066	28.6
83.04969	1.3
83.08632	12.6
84.70125	1.0
85.06554	5.5
91.05484	3.7
93.07050	17.7
95.04950	0.9
95.08619	48.2
97.06554	0.9
97.10175	8.4
99.08108	33.1
105.07046	3.0
107.04949	4.6
107.08608	31.9
109.10168	9.9
110.47100	0.9
111.08092	20.1
111.11742	1.6
113.09640	6.7
114.30035	0.8
117.03424	2.1
119.08659	1.3
121.06474	1.1
121.10157	52.8
123.11740	2.7
125.09641	6.9
125.13295	1.1
125.22812	0.8
130.96317	0.9
133.10156	1.0
135.04463	2.4
135.11714	10.2
137.13274	15.1
139.11165	4.1
145.02861	3.7
149.05994	1.0
149.13280	5.2
163.03981	4.9
163.07623	0.9
167.07083	1.0
177.05486	6.0
177.16406	100.0
195.06479	1.8
195.10188	1.1
195.13869	1.1
195.15855	1.0
195.17474	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	196.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93840	1.4
57.54538	0.4
69.96183	16.3
70.95857	1.0
71.40764	0.6
71.94093	3.5
72.94869	0.6
83.01531	0.4
94.34000	0.4
95.18341	0.4
99.67323	0.5
100.02474	1.0
101.02599	0.9
110.98777	2.3
111.98489	1.7
113.95107	10.2
115.74831	0.5
117.01900	0.5
127.02441	0.6
129.03973	0.7
129.99457	0.6
131.01903	1.5
131.96161	100.0
132.08186	0.5
132.95830	2.1
137.43089	0.5
141.95708	0.7
145.03487	1.1
149.97212	66.9
150.96883	1.6
154.97752	39.8
155.01875	1.4
155.97447	2.1
156.05110	0.7
167.98279	2.6
168.05083	0.6
172.98825	41.1
173.02948	4.3
173.98483	1.9
178.73688	0.5
190.99910	0.7
191.04007	1.0
191.35698	0.5
196.00429	1.3
196.04518	2.5
196.16982	0.7
214.05666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93835	1.0
56.96572	3.0
57.03421	1.1
61.02925	1.3
69.03416	1.2
69.07076	2.6
69.50941	4.1
69.96186	14.9
70.95840	0.8
71.05004	0.7
71.94109	4.1
73.02901	1.2
78.32655	0.6
81.03426	1.1
82.99899	0.5
83.04996	0.8
85.02905	2.6
97.02920	4.1
98.20757	1.0
98.97594	5.9
101.00906	1.1
110.97578	0.7
110.98796	2.3
113.00876	2.0
113.95126	12.6
115.02403	1.0
116.98616	0.9
119.01920	2.3
127.02460	0.9
131.01889	3.4
131.96159	100.0
132.95869	1.5
136.03784	0.5
136.07582	0.8
136.93121	0.6
141.95648	0.6
143.01944	1.3
145.03423	1.2
149.02945	0.7
149.97214	57.6
150.96877	1.5
153.04865	1.2
154.97746	39.4
155.01900	2.4
155.97424	1.1
158.99670	3.5
161.02957	1.1
161.04727	0.8
161.54994	0.6
162.05415	0.9
167.98315	1.7
168.05112	0.7
172.98822	41.1
173.02916	5.3
173.04362	0.7
173.98489	1.2
175.04399	1.7
177.00749	1.4
178.08617	1.1
184.04947	1.6
184.55214	0.7
191.02257	0.7
191.04048	1.1
196.00482	1.0
196.04553	1.0
196.09689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0608
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
56.96572	0.9
65.28954	0.8
70.57361	1.8
70.57691	1.0
70.95870	1.4
76.17810	0.7
80.05025	13.7
87.00825	7.0
87.05606	0.8
88.57944	0.8
92.05017	4.8
93.03391	0.9
104.04980	2.9
108.04488	54.2
110.06050	67.9
111.04470	1.2
111.98478	1.8
113.64417	0.8
126.11374	0.8
131.96153	6.9
132.04485	10.0
132.95863	3.0
136.03952	100.0
149.97198	3.8
150.96909	2.3
154.97751	2.5
155.97401	1.9
160.03954	11.7
172.46263	1.0
172.98830	2.4
173.98564	1.4
178.05011	96.7
193.17159	0.9
196.06052	12.9
196.17001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
53.03938	1.9
55.01870	2.2
55.41340	0.5
55.93528	0.8
56.96544	0.6
60.43472	0.6
60.73127	0.5
65.03934	2.3
67.05504	1.0
69.68008	3.5
70.95871	12.8
72.93795	6.6
77.03927	5.1
79.05495	9.2
81.03425	0.8
81.07060	7.0
87.60558	0.5
88.96918	0.9
90.94828	0.7
91.05486	33.2
94.04194	6.1
95.01283	0.6
95.04983	4.6
95.08604	2.1
95.52580	0.6
97.02892	0.9
98.21392	1.1
98.97601	2.9
105.03400	25.6
105.04488	0.9
105.07042	1.0
107.04961	4.8
107.08584	1.1
109.06529	23.6
111.97726	0.9
111.98487	13.8
113.96411	1.4
114.94766	1.3
119.04956	9.5
120.05219	0.6
122.03667	7.4
123.04480	1.1
128.02316	0.7
129.99509	3.2
132.95837	31.3
133.02861	100.0
133.10165	1.2
135.04424	4.0
135.11694	0.9
137.05986	67.1
147.04427	2.4
149.71597	0.6
150.96896	20.7
150.98109	1.4
151.03920	1.0
151.07544	0.9
153.05550	2.8
155.97421	19.5
158.99661	1.6
165.05487	47.1
167.07101	3.7
173.98503	23.6
179.10664	1.4
197.06302	1.0
197.08081	5.4
197.11682	1.4
198.18484	0.7
199.51558	0.5
201.53253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03163	0.4
53.03955	0.8
55.01873	1.9
65.03935	1.7
67.05496	1.7
67.12881	0.4
69.03423	1.7
69.46085	2.5
70.95870	4.9
72.93787	1.7
73.02920	21.9
77.03923	0.5
79.05508	0.6
81.07054	1.1
83.04982	0.5
85.02909	0.8
87.59454	0.3
88.96878	0.4
91.05474	3.4
93.03397	1.0
93.07046	0.9
95.04958	1.4
97.02896	0.6
98.97586	0.8
105.07035	0.8
107.08613	0.7
108.02094	1.4
109.06554	0.8
109.10182	0.5
110.03662	2.5
111.04452	1.3
111.98484	4.8
113.96404	0.5
114.94791	0.6
119.04965	2.1
119.08559	0.6
123.04471	0.4
125.05996	18.7
127.07488	0.5
129.99535	1.4
132.95834	10.8
133.02910	0.5
133.10146	1.1
135.04428	0.4
135.11736	0.5
136.05223	0.4
137.05981	3.1
137.09599	0.7
141.05478	1.8
149.05989	2.8
150.96892	7.3
151.03914	100.0
151.05013	7.9
151.07423	3.3
152.04253	0.5
154.83557	0.4
155.97432	9.4
165.05507	0.4
173.98508	8.3
179.05679	0.8
179.07033	22.2
179.10631	1.3
197.08092	9.9
197.09471	0.4
197.11755	0.7
198.18556	0.8
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
53.03937	0.9
55.01881	1.0
55.05511	2.1
57.43507	0.6
59.04995	2.8
65.03938	1.0
67.05510	3.7
69.03427	1.2
69.07086	1.3
70.81449	1.4
70.95870	2.3
72.93771	1.0
79.05492	5.4
81.07063	5.8
83.04990	0.7
85.06562	0.8
91.05484	15.5
93.07047	21.9
95.04983	7.0
95.08615	2.6
97.06520	0.6
103.05492	0.6
105.03422	1.2
105.07035	25.1
107.04923	0.8
107.08601	57.3
109.06542	3.6
109.10158	5.6
111.98479	2.3
113.05998	0.7
117.07003	1.0
119.04968	1.4
119.06099	0.9
119.08596	6.6
121.06511	6.3
121.10124	1.2
123.04409	3.2
123.08073	0.7
123.11726	3.0
125.05995	1.4
128.06178	0.9
131.08582	2.3
132.95834	5.4
133.06441	1.0
133.10138	66.2
135.08076	1.4
135.11700	53.5
137.05963	4.1
137.09637	4.2
143.08562	1.4
146.07291	1.6
150.96909	4.2
151.11148	4.9
155.97403	2.9
161.09624	31.0
173.98500	4.2
179.10680	100.0
197.11745	82.4
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
51.77725	0.5
54.75384	0.6
55.01867	0.6
55.05516	0.9
59.05007	1.5
65.03938	0.8
67.05505	1.9
69.03437	1.1
69.07059	0.6
70.95871	5.9
71.16286	1.0
72.93790	1.9
76.19758	0.5
77.03921	0.7
79.05498	3.3
81.07057	3.4
83.04981	1.2
91.05491	10.9
93.07050	8.3
95.04984	1.8
95.08612	2.1
95.32587	0.6
97.06555	0.8
101.38633	0.6
105.07037	16.7
107.08601	100.0
109.06565	3.3
109.10159	5.7
111.98492	6.0
114.94800	0.7
119.04945	1.9
119.06098	1.5
119.08583	5.6
121.06509	3.0
121.10127	1.2
123.04425	0.7
123.08060	0.7
123.11719	1.2
125.05995	1.2
129.99525	1.5
131.08597	1.9
132.95844	14.0
133.02794	0.7
133.10138	57.2
134.06020	0.5
135.11690	15.4
137.05983	4.5
137.09613	3.3
139.07510	0.7
143.08591	1.0
146.07275	1.1
147.04462	0.9
150.96881	10.1
151.03909	1.0
151.07565	0.8
151.11195	5.2
155.06947	0.7
155.97427	10.1
161.09630	16.3
165.05531	1.4
167.10606	0.7
173.98494	10.4
179.10683	26.4
197.00063	0.9
197.11740	67.3
198.18539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03957	1.4
55.01883	0.8
55.05516	2.9
57.03439	1.1
57.07081	0.8
59.05005	2.5
67.05517	5.0
69.03424	1.5
69.07078	2.9
69.95692	1.2
69.96075	1.7
70.95870	5.8
71.01324	0.8
72.93813	3.9
73.02927	0.9
75.31770	0.7
79.05505	5.7
79.28183	0.7
81.07050	6.3
83.08656	0.8
85.06548	1.9
91.05491	16.5
93.07052	20.8
95.04980	7.7
95.08627	5.1
97.06576	1.1
102.74908	0.7
105.03423	1.2
105.07041	22.9
105.07759	1.2
107.04997	0.7
107.08604	57.3
109.06525	6.1
109.10168	7.2
111.98495	8.8
113.17169	0.7
115.05479	1.2
119.04955	2.6
119.06035	0.8
119.08586	7.5
121.06502	5.0
121.10176	2.0
123.04433	2.8
123.08091	1.1
123.11726	3.1
125.05958	1.2
129.99529	2.2
131.08578	1.8
132.95850	14.1
133.02835	0.9
133.10146	60.4
135.11705	56.9
137.05969	5.4
137.09636	4.9
137.13263	1.3
141.07016	1.6
143.08560	1.1
146.07330	0.9
150.96915	11.8
151.03926	2.7
151.11189	5.3
155.97449	10.5
155.98698	0.8
161.09630	30.9
165.05469	2.1
169.06549	0.7
169.10176	0.7
173.97154	0.5
173.98514	13.7
179.10690	100.0
182.10727	0.7
197.00150	0.9
197.05963	1.8
197.11751	91.9
198.18575	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	198.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05511	4.7
56.96552	0.8
57.03437	4.2
57.07070	2.2
58.99858	1.1
61.02932	5.7
63.28474	0.5
67.05495	1.6
67.41494	0.5
67.68813	0.5
68.98274	0.6
69.03439	8.8
69.07067	3.8
69.95320	2.3
70.06583	0.6
71.01350	0.5
71.04979	1.0
71.08630	0.6
72.08144	1.1
73.02916	4.8
76.91480	0.4
77.00896	0.7
77.01919	0.4
79.05473	0.7
80.05999	0.5
81.03412	0.5
81.07046	1.4
82.01461	2.5
82.06606	0.5
82.99835	0.7
83.04977	1.4
83.08630	3.5
85.01416	2.7
85.02908	8.9
85.10182	0.7
86.06065	1.3
86.99374	0.5
87.01897	0.5
88.02690	1.7
93.01897	0.8
93.07031	1.0
94.99858	0.6
95.01335	0.8
95.04984	0.7
95.08607	1.5
96.08118	0.7
96.35451	0.5
97.01401	0.6
97.02895	3.5
97.10167	1.3
98.21529	0.6
100.02486	8.6
100.07620	0.6
101.00890	6.4
102.00989	0.8
102.02395	2.5
103.02442	4.2
107.08606	0.9
108.02403	0.8
109.02886	0.7
110.09660	0.5
110.99324	0.6
111.02935	2.2
111.04448	1.1
111.08077	0.7
113.00926	2.6
113.01651	0.9
113.02362	5.6
114.02462	1.0
115.02439	1.3
117.02940	1.0
118.03521	3.5
119.01923	7.9
119.02706	0.9
120.02054	2.2
120.03450	4.1
120.53541	0.7
121.03557	2.5
122.02150	0.6
124.95457	0.7
126.04060	1.5
127.02422	1.0
127.03909	1.9
129.00244	1.3
129.03995	1.6
130.03714	0.6
131.01915	6.4
133.01613	0.6
133.03458	1.4
135.02928	0.6
137.02844	1.1
138.01662	1.0
138.03410	1.6
139.02399	1.1
142.03633	0.6
142.96536	0.9
143.01900	5.4
144.03366	0.5
144.05080	1.8
145.03439	2.3
145.05009	1.0
147.01381	2.3
147.03946	2.6
149.02936	1.0
152.01933	0.9
152.07079	1.1
154.03508	1.6
155.01895	3.6
157.02359	0.6
157.03474	1.8
160.97675	0.9
161.02928	5.9
162.03017	0.7
167.01904	1.6
168.02750	1.0
168.99725	1.2
170.03026	7.8
171.01401	1.4
171.05127	0.6
172.04713	0.6
173.02997	5.6
174.99248	0.7
175.00999	0.7
175.03189	0.6
175.04636	0.9
177.02484	0.7
180.02766	1.0
180.04543	0.8
180.06583	1.0
185.03003	3.1
186.03085	0.6
187.00815	1.0
187.04575	0.8
189.02626	1.0
198.00679	0.6
198.03897	0.9
198.07567	1.3
198.11311	1.7
198.18542	100.0
203.04008	2.6
207.03490	0.6
215.00351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01884	18.0
55.05501	4.4
56.96584	11.0
57.03441	47.9
58.99870	2.5
59.05000	2.0
61.02654	2.2
61.02935	32.7
65.03938	2.6
67.05519	9.7
69.03440	52.0
69.07068	1.9
70.03760	2.4
70.06591	4.2
70.79398	3.9
70.99864	5.4
71.01350	5.5
71.05005	7.6
72.08147	4.6
73.02927	100.0
74.03242	2.2
74.09722	3.7
74.75645	1.3
77.00922	2.7
79.02177	1.8
79.05495	2.0
81.01906	2.3
81.03426	25.8
81.07042	1.5
82.01460	2.4
82.04214	1.5
82.99863	6.4
83.01497	2.5
83.04970	5.4
85.01441	2.5
85.02917	67.9
85.03436	3.4
86.01514	1.7
86.03227	2.2
86.03687	2.5
86.06069	3.4
86.99319	2.0
87.01922	7.0
87.04463	5.6
88.02676	4.9
88.52747	3.1
89.00872	2.0
91.03935	3.0
93.01912	9.2
93.03416	3.6
93.51962	2.2
94.01754	1.6
94.02689	8.9
94.99854	4.1
95.01336	1.6
95.04988	7.9
96.02425	3.1
96.04517	2.0
97.01349	1.4
97.02901	58.1
98.03236	2.4
98.97598	69.0
99.01881	2.2
99.04464	15.5
100.02612	8.4
101.00894	44.8
101.02544	9.4
101.03387	1.7
102.00986	6.2
102.02408	18.0
102.52470	4.1
103.00661	11.1
103.02406	6.5
103.03204	4.0
103.03911	3.2
103.53241	1.4
104.02541	4.7
106.02645	3.3
107.04950	1.9
108.02425	9.0
109.02863	13.8
110.01369	1.7
110.02101	1.5
110.97578	2.7
111.00774	1.7
111.02946	17.8
111.04454	4.2
111.53007	4.5
112.02722	4.6
113.00880	30.1
113.02370	6.4
113.05996	2.5
114.00974	4.3
114.02380	9.7
115.00645	2.4
115.02423	8.8
115.03195	4.6
115.03942	3.8
115.53265	1.7
116.97230	4.3
116.98635	32.7
117.02934	8.3
117.52977	2.4
119.01933	59.9
119.03631	2.7
120.02056	5.9
120.03433	5.4
120.53513	3.1
121.01688	15.5
121.03385	4.3
121.04150	1.5
122.03196	1.7
122.05959	1.8
123.02945	16.9
123.53040	2.2
124.03691	3.5
125.00943	2.2
125.02598	1.6
126.03246	4.7
126.98763	2.8
127.02412	8.8
127.03248	2.4
127.03937	21.1
128.98579	2.4
129.00311	1.7
129.02083	2.4
129.02921	13.6
129.03900	3.3
130.03711	5.8
130.53845	1.8
131.01915	61.6
131.96165	2.0
132.01964	8.6
132.03450	15.1
132.53674	1.8
133.01674	8.8
133.03448	11.7
134.99664	13.3
135.02925	8.8
135.52997	2.0
136.03720	3.7
136.07600	7.9
136.53809	2.4
137.02950	5.8
138.03439	29.9
138.09155	3.1
138.53485	3.9
139.02507	4.6
139.04073	4.0
140.00217	2.6
140.04701	2.5
140.06381	1.6
141.03003	2.2
141.03967	6.2
141.05505	14.3
142.03600	3.2
143.01921	53.4
144.02025	7.7
144.03381	21.7
144.53554	3.5
144.99803	2.4
145.01671	4.0
145.03438	25.5
145.05122	4.7
145.54346	1.6
146.02290	2.3
146.03540	2.1
146.99672	1.8
147.01396	6.4
147.03979	10.5
147.05040	2.9
147.54086	3.5
148.01532	3.1
148.03845	2.4
149.01146	1.6
149.02977	5.0
150.03284	4.1
150.53514	3.4
151.02437	2.5
152.02301	1.5
152.07085	3.4
153.00783	2.0
153.01891	5.6
153.03999	16.0
153.05075	1.8
153.05319	1.6
153.06609	27.4
153.54088	2.8
154.03581	2.1
154.04791	3.1
155.00648	2.2
155.01907	42.2
156.02049	4.7
157.01678	3.7
157.03468	24.0
158.01241	3.3
158.03729	5.8
158.99733	1.9
159.05063	2.0
161.02969	54.8
162.00127	1.3
162.03110	9.4
162.04475	8.9
163.02681	3.7
163.04381	4.2
163.08694	2.4
164.07068	2.9
165.03999	5.1
165.54170	1.7
166.54787	2.1
167.01952	11.9
168.04486	1.7
169.03476	16.9
169.04996	33.8
169.54634	1.7
170.03670	3.2
170.05409	2.7
170.99669	1.8
171.01662	2.4
171.03168	11.5
171.05032	3.9
171.54185	3.1
173.02988	64.9
173.04527	2.3
173.97264	2.2
174.03146	8.7
174.04518	6.5
174.54678	1.7
175.02759	6.6
175.04515	9.9
175.98552	4.4
176.05946	2.4
177.00732	4.1
177.02460	4.2
180.54662	2.6
181.03444	2.6
181.05283	1.5
181.09790	5.7
182.03058	1.8
182.08150	28.7
183.05063	13.0
183.55096	2.6
184.04727	3.9
185.02991	49.9
185.04593	2.8
186.03131	6.0
187.02969	2.0
187.04480	8.0
188.04849	2.1
189.00793	2.0
189.02481	2.2
189.04201	2.3
189.55180	1.7
190.02841	2.2
191.04012	5.8
192.05556	13.7
192.55664	2.8
193.05550	2.1
195.01701	2.4
197.02953	10.2
199.02730	2.0
199.04474	5.9
199.06639	4.4
199.07236	5.0
199.10713	7.3
199.18927	15.4
200.04086	4.0
203.04036	33.1
204.04207	5.8
209.03067	3.2
213.02487	2.2
214.03056	2.9
215.04135	7.1
216.04407	2.0
217.01968	2.4
217.05637	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	202.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05511	6.5
56.05034	14.3
58.99588	24.6
68.05015	1.1
70.06593	1.3
70.25842	1.2
70.26218	1.1
74.00667	2.3
76.02242	6.2
79.05495	29.6
80.05001	1.1
81.07056	18.4
82.06583	5.4
82.12665	0.7
85.01131	100.0
86.00659	14.6
86.99056	14.7
87.02723	1.2
88.02205	3.4
88.03976	1.7
96.08108	2.7
97.01109	1.1
97.08923	7.1
98.09696	31.6
105.00089	8.3
105.07067	1.5
110.09672	1.9
113.04234	49.4
120.01189	3.0
122.09650	2.2
131.01610	1.2
132.01163	14.9
134.02774	0.9
156.08411	7.1
185.06329	8.5
202.08981	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05512	7.5
57.07079	9.8
60.04498	1.7
67.05512	8.4
69.07068	9.8
69.37811	12.8
79.05474	3.4
81.07063	9.7
83.08610	3.5
91.05474	8.6
93.07035	6.5
95.08612	25.2
97.10167	1.4
100.02496	1.9
105.06385	2.7
105.07035	34.4
107.08606	12.4
109.10165	17.0
111.19987	1.7
114.32710	1.4
117.06966	2.0
119.08586	45.4
121.10156	12.7
123.11716	2.0
126.05536	2.7
131.08588	3.3
133.10141	55.1
135.11690	3.2
145.10144	6.9
147.11694	60.6
159.11687	5.0
160.12485	6.7
161.09583	1.9
161.13254	35.6
175.14821	4.9
203.07033	3.7
203.10962	1.4
203.17966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.87484	0.4
53.03931	1.0
55.05513	3.7
67.05174	0.9
67.05513	11.8
67.56440	0.5
69.07074	10.8
71.24246	0.6
71.24580	0.6
73.66689	0.6
74.29694	0.5
79.05499	6.2
81.07064	24.8
91.05488	7.6
93.07052	14.2
95.08614	46.1
95.68921	0.5
97.10184	1.1
104.42968	0.6
105.06319	0.6
105.07042	24.1
107.08604	34.7
108.73553	0.4
109.10166	27.3
117.07012	0.7
119.08590	16.2
121.10153	10.8
123.11708	3.0
131.08554	0.7
133.10146	16.5
135.11713	2.7
145.10114	1.1
147.11702	40.3
159.11678	1.3
160.87216	0.6
161.13264	11.2
175.14856	6.4
203.17975	100.0
204.18246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05503	4.4
57.07058	1.5
67.05499	11.4
69.07063	10.2
69.43745	1.7
69.44163	4.3
73.76347	0.8
79.05492	4.8
81.07053	20.4
83.08606	1.9
91.05470	8.5
91.80611	0.9
93.07040	11.2
95.08608	42.7
97.10156	1.6
105.07037	27.9
107.08599	24.9
109.10162	25.9
119.08582	24.1
121.10154	10.3
123.11700	4.0
128.83513	0.8
131.08586	1.7
133.10126	27.1
135.11674	3.2
145.10143	3.7
147.11684	39.6
159.11676	1.5
160.12457	1.7
161.13239	13.7
173.13272	1.1
175.14801	6.8
203.08272	0.8
203.17955	100.0
204.18312	1.2
219.48463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05500	3.7
63.64757	1.1
66.12629	1.1
67.05499	10.3
69.06775	1.1
69.07069	11.4
69.26228	5.7
69.26650	4.3
75.70983	1.0
75.86584	1.1
79.05505	5.2
80.51213	1.0
81.07061	24.5
83.08591	1.9
91.05465	5.8
93.07034	13.9
95.08607	45.1
105.07032	25.0
107.08595	31.9
109.10156	24.6
117.27866	1.2
119.08576	19.8
121.10143	10.0
123.11672	3.3
126.93665	1.2
133.10129	17.5
133.91849	1.0
135.11673	1.4
145.10097	3.5
147.11691	39.0
160.12459	1.3
161.13261	13.1
170.70213	1.0
175.14876	5.6
203.17958	100.0
216.93567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05507	8.9
57.07084	5.8
60.04513	1.8
67.05502	10.6
69.07066	9.7
70.09845	2.5
70.10251	2.5
71.83537	1.2
79.05489	5.1
81.07065	19.9
82.91053	1.2
83.08611	5.0
84.04496	1.5
91.05486	12.4
93.02200	1.0
93.07042	12.9
95.04964	1.5
95.08611	62.9
96.04448	1.3
97.02908	1.7
98.21382	1.6
100.02494	4.0
105.07037	39.9
107.08605	29.0
109.10165	42.1
109.31409	1.3
117.06995	1.5
119.08589	40.7
121.06509	1.3
121.10149	16.6
123.11691	4.0
126.05511	3.5
131.08553	2.8
133.10136	44.1
135.11679	3.8
141.21980	1.2
145.10123	6.9
147.11688	51.0
159.11699	2.9
160.12553	5.9
161.09660	2.4
161.13255	33.0
174.14120	2.1
175.14856	7.5
179.98041	1.7
195.59581	1.2
197.99203	1.8
203.05325	1.5
203.06999	2.9
203.10687	2.5
203.14357	5.2
203.17970	100.0
204.08655	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03965	0.4
55.05514	4.0
62.28785	0.4
62.82475	0.4
65.03925	0.6
67.05507	12.2
69.06687	0.6
69.07070	12.1
69.65710	0.4
70.17400	1.2
70.17749	0.5
79.05492	6.6
81.07060	25.8
83.08620	1.2
91.05478	8.3
93.07048	15.3
95.04974	0.6
95.08611	54.3
97.10177	0.6
98.20829	0.5
105.07034	26.2
107.08600	34.9
109.06517	0.5
109.10162	27.8
119.08583	17.7
121.10149	12.1
123.11699	4.7
131.08571	0.9
133.10138	18.4
135.11700	2.2
139.55301	0.4
145.10075	1.9
147.11691	42.2
148.12488	1.0
159.11722	1.4
161.11981	0.8
161.13264	10.6
175.14841	5.9
201.16405	0.5
203.17960	100.0
204.18298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03945	0.8
55.05267	0.8
55.05512	10.4
57.07085	3.4
67.05507	11.4
68.83603	0.8
69.06731	0.7
69.07072	12.5
79.05497	5.8
79.64194	0.6
81.07059	11.0
83.08627	4.7
84.04476	0.8
86.14366	0.7
91.04974	0.8
91.05487	11.3
93.07046	9.0
95.08610	34.5
97.10151	1.8
105.07037	37.7
107.08598	20.4
109.10160	22.5
117.07002	1.5
119.08588	50.7
121.10150	11.2
123.11724	3.3
126.05567	1.2
131.08609	4.4
133.10138	61.6
135.11703	3.6
142.49695	0.5
145.10138	6.4
146.10904	1.2
147.11694	46.0
159.11705	6.1
160.12463	2.3
161.13272	22.6
165.43390	0.6
173.13324	1.0
174.14055	3.4
175.14835	7.2
188.15665	1.2
203.07022	1.2
203.17964	100.0
204.18399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.4
55.01867	3.8
55.05501	2.5
56.96540	2.0
57.03426	7.6
57.07080	10.0
60.04519	1.8
61.02931	15.1
65.03925	6.4
67.05502	2.9
69.03431	78.6
69.07059	5.5
71.01355	2.4
71.05008	13.0
71.54122	1.5
73.02924	21.8
78.95283	1.9
79.05485	4.9
81.03421	100.0
81.07065	7.6
83.01326	2.0
84.04471	3.9
85.02907	90.4
85.04821	3.3
87.04478	3.3
91.05476	8.2
93.07029	6.2
93.77290	1.6
95.04965	1.5
95.08597	6.0
97.02894	85.8
99.04453	32.5
101.02368	3.2
103.03956	4.1
105.07040	11.0
107.08617	7.8
109.02885	51.9
113.96398	2.7
115.03910	2.5
115.05390	2.5
117.07021	13.2
119.08583	7.5
119.97823	2.2
121.02852	5.7
121.06483	4.4
121.10141	7.2
121.21458	1.9
127.03922	55.3
129.06956	1.7
131.08553	9.6
133.05000	3.9
133.10132	3.3
135.08064	3.2
135.11697	4.8
139.03897	2.9
144.09416	1.7
145.02859	9.9
145.04968	9.4
145.06392	3.9
145.10133	11.7
147.11639	1.9
149.02351	63.0
149.09712	1.9
149.13290	2.1
159.11693	6.9
161.05983	1.8
161.13251	3.6
163.07510	2.6
163.11179	3.2
163.14787	2.3
173.06084	2.0
177.12708	4.3
181.97908	1.7
187.06041	29.9
187.07616	2.2
187.11163	3.7
187.14870	8.3
190.09755	2.3
205.04956	27.2
205.06956	6.5
205.08589	7.9
205.12218	16.8
205.14168	2.4
205.15871	18.0
205.19472	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	205.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01882	5.2
55.05507	2.8
56.96555	2.6
57.03447	10.1
57.07073	5.9
57.51482	1.3
60.04524	2.1
61.02935	12.3
63.65522	1.1
65.03934	3.8
65.27329	1.0
67.05511	1.9
69.03436	55.8
69.07067	1.5
71.01357	1.3
71.04996	7.8
71.43072	0.9
71.51237	1.1
73.02569	1.4
73.02927	16.8
79.05502	1.6
80.27004	1.0
81.03426	66.5
81.07043	4.0
83.01354	2.7
84.04489	1.9
85.02911	100.0
86.03246	1.1
87.04456	2.2
91.05481	3.5
92.06132	1.2
93.07049	5.1
95.04971	1.8
95.08604	4.9
97.02899	55.7
99.04465	26.2
101.02380	2.6
103.03949	3.9
103.05483	1.1
105.07037	4.5
107.08578	4.0
109.02890	42.6
109.10136	2.6
111.04440	1.3
113.96503	1.1
115.03930	3.3
115.05448	1.7
117.07013	4.8
119.08587	4.6
121.02890	5.9
121.03841	1.1
121.06501	4.4
121.10136	4.2
127.03927	52.9
131.04973	1.2
131.08568	4.0
133.04906	2.2
133.10127	1.6
135.08052	1.8
135.11667	2.9
139.03929	1.9
145.02858	6.9
145.04955	11.8
145.06505	1.9
145.10150	5.7
147.08035	1.9
147.11674	2.5
149.01149	2.2
149.02348	45.0
149.09544	2.0
149.13248	1.9
159.08121	1.7
159.11691	3.1
161.13249	1.9
163.07545	2.2
163.14821	1.2
163.96780	1.7
168.16234	1.4
173.05965	1.6
175.07497	1.2
177.05510	1.1
177.08957	1.0
177.12761	3.7
181.97879	1.8
182.23286	1.3
187.06079	19.2
187.07596	1.6
187.11267	1.4
187.14847	4.0
194.73956	1.0
196.26146	1.1
205.03203	1.8
205.04962	20.4
205.06927	3.7
205.08559	5.5
205.12260	11.3
205.14209	2.4
205.15892	9.0
205.19449	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79100	1.1
53.03955	8.9
54.47870	1.5
54.85299	1.3
55.01877	6.6
55.05510	2.0
56.96576	1.4
57.03440	10.7
57.07075	7.5
58.06598	1.8
60.04533	1.5
61.02928	11.2
64.54549	1.2
64.55334	1.5
65.03943	6.1
65.76107	1.3
67.05513	1.7
68.17936	1.2
69.03435	47.9
69.07067	2.8
69.47451	9.3
71.01367	3.0
71.04992	9.5
71.43224	1.2
72.93796	1.2
73.02924	14.5
79.05493	2.5
81.03423	53.5
81.07063	4.0
83.01338	3.7
83.04978	1.6
84.04504	6.9
85.02911	100.0
85.04842	3.9
86.03252	2.4
87.04471	2.4
89.03960	1.4
91.05484	4.3
93.06539	1.2
93.07051	5.7
95.08623	3.8
97.02900	54.3
99.04466	24.6
101.02388	1.5
103.03949	5.7
103.05474	1.4
105.07037	5.5
107.08593	7.0
109.02887	43.2
109.10175	2.2
111.04340	1.5
115.03941	4.2
115.05502	1.5
117.07014	6.0
119.08602	5.6
121.02875	5.9
121.03982	2.0
121.06516	5.1
121.10165	4.4
123.11724	1.9
126.05499	1.9
127.03924	56.7
127.05811	3.0
128.06267	1.7
131.08537	6.9
133.04991	1.4
133.10097	2.0
135.04430	1.5
135.08076	4.5
135.11684	2.9
139.03929	2.7
140.89943	1.3
143.08656	1.5
145.02933	7.6
145.03802	1.4
145.04013	1.7
145.04982	14.5
145.06381	3.0
145.10115	9.7
147.08032	1.7
147.11707	4.4
149.02351	60.4
149.13292	3.4
159.11716	7.4
161.09674	1.4
161.13336	2.3
163.11229	4.0
163.14731	1.4
173.05968	2.4
177.05495	2.0
177.12759	4.7
181.34755	1.3
187.06053	17.5
187.11250	2.6
187.14839	6.8
190.09834	1.8
205.05019	20.8
205.06894	2.7
205.08727	7.5
205.12207	15.5
205.14133	1.6
205.15918	14.3
205.19496	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	205.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.8
55.01867	2.3
57.03440	5.5
57.96411	1.1
59.65568	1.0
61.02942	9.9
69.03432	39.4
70.91325	2.8
71.05002	6.5
73.02925	8.9
73.47907	1.0
81.03420	50.0
83.01366	1.2
85.02909	100.0
97.02897	42.4
97.35259	1.0
99.04462	14.5
101.02393	1.7
109.02886	24.9
115.03965	2.0
121.02866	1.0
121.35122	1.0
127.03931	24.9
129.32654	1.3
133.04907	1.6
140.28355	1.1
145.04965	4.3
149.02371	7.2
187.06017	16.5
187.14828	1.5
205.05034	2.6
205.07080	3.0
205.12325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56652	2.0
53.03947	8.2
55.01862	3.8
57.03445	10.8
61.02928	13.0
69.03432	50.4
70.46764	3.9
70.47119	2.0
71.01346	2.4
71.04987	7.9
73.02919	19.7
77.10448	1.4
81.03423	52.7
83.01314	2.7
85.02908	100.0
91.05451	1.6
97.02296	2.4
97.02899	37.1
99.00801	2.4
99.04456	23.0
101.02367	1.7
103.03932	5.7
109.02879	34.9
112.14240	1.4
115.03941	2.9
127.03925	60.5
127.86255	1.5
133.04982	1.8
145.04962	14.3
149.02319	2.3
152.71356	1.5
187.06029	16.3
205.05090	2.2
205.07072	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	205.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.9
55.01862	5.0
55.05505	3.0
56.96563	1.5
57.03440	8.1
57.07071	8.1
60.04519	2.2
61.02926	15.9
65.03934	5.6
65.99037	1.6
66.19157	1.3
67.05505	2.1
69.03431	73.4
69.07066	2.2
71.04990	12.4
71.26910	2.7
73.02924	18.2
77.57860	1.7
78.43217	1.6
79.05482	2.1
81.03419	100.0
81.07053	3.5
85.02907	89.6
87.04453	5.3
91.05474	5.9
93.07037	4.7
95.04953	4.4
95.08601	2.9
97.02893	73.8
97.03526	3.5
99.04457	28.2
99.05100	1.8
101.02401	4.4
103.03931	3.1
105.07027	4.3
107.04948	3.0
107.08581	3.9
109.02143	2.6
109.02880	44.5
115.03951	2.7
115.05458	2.5
117.06996	4.3
119.08543	3.1
121.02888	5.9
121.04047	1.5
121.06487	5.2
121.10130	3.3
127.02978	2.5
127.03924	48.1
127.05863	2.5
129.06982	1.5
131.05008	1.8
131.08588	3.0
133.04947	3.2
135.08060	2.4
135.11717	3.2
139.03934	2.1
145.02844	7.9
145.04958	8.6
145.06468	6.2
145.10121	5.7
149.02347	47.6
149.05978	1.6
149.09697	2.2
149.13283	2.0
159.08014	1.8
159.11716	4.3
163.03928	5.5
163.11188	1.5
163.14911	1.7
165.83217	1.7
173.06065	4.0
177.05382	2.4
177.12761	5.4
187.06018	22.9
187.07562	2.1
187.11154	2.1
187.14838	3.5
191.66182	1.5
205.04973	19.8
205.06975	5.3
205.08693	8.1
205.12190	13.4
205.14046	2.6
205.15863	7.3
205.19492	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	205.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14672	0.7
52.79345	0.8
53.03947	5.9
55.01854	3.0
55.96239	0.8
57.03437	7.9
57.07059	2.5
61.02930	11.1
62.55029	0.8
65.03928	2.1
69.03432	36.5
71.01347	1.3
71.05000	5.2
71.53883	1.0
73.02925	11.2
81.03420	37.2
81.07056	1.6
83.01328	2.7
85.02908	100.0
86.03221	0.8
87.04474	2.5
87.35403	0.8
89.03851	0.8
91.05476	1.8
93.07031	1.5
95.08603	2.0
97.02896	41.4
99.00826	1.0
99.03841	1.5
99.04450	18.8
99.05093	1.1
101.02389	1.4
103.03928	3.2
107.08575	1.4
109.02883	28.4
109.10108	1.2
109.43894	0.8
115.03909	2.6
119.08584	1.2
121.02885	1.7
121.06488	1.1
121.10125	2.8
127.03922	39.6
131.08525	1.4
133.04973	1.7
135.08098	1.4
139.03854	1.0
145.02835	2.4
145.04977	11.7
145.06523	1.7
145.10081	2.4
149.02348	17.4
156.24168	1.0
177.09229	1.0
187.06024	11.1
187.07539	1.7
187.11101	0.9
205.04945	8.8
205.07014	3.4
205.08763	2.0
205.12247	3.3
205.15959	2.0
205.19551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.0
55.01878	6.2
56.96557	5.7
57.03445	8.2
57.07082	6.8
60.30627	1.3
61.02932	15.5
65.03933	3.1
69.03433	57.5
69.07064	2.0
69.60210	1.2
71.01338	1.7
71.05006	8.5
73.02910	17.6
78.95265	1.5
79.05508	1.3
81.03423	62.8
81.07053	2.3
82.37130	1.2
83.01331	3.5
83.08576	1.3
85.02909	100.0
87.04461	2.5
91.03928	1.5
91.05488	2.0
93.07053	3.3
95.04996	1.7
95.08606	2.1
97.02899	55.1
98.20747	3.4
99.04458	27.2
101.02357	3.1
103.03924	3.8
105.07015	3.5
107.08596	2.1
109.02883	42.6
109.10176	1.4
115.03922	3.2
115.05443	1.3
117.07008	2.1
119.08585	2.0
119.97919	1.4
121.02861	5.1
121.06499	3.3
121.10121	2.5
127.03921	57.0
131.08658	1.9
133.04979	2.7
139.03932	2.1
145.02844	4.9
145.04967	16.2
145.10110	2.7
146.58859	1.3
149.02351	47.2
149.05928	1.4
149.09572	1.4
149.13173	1.7
159.11673	2.0
163.96928	1.5
173.02357	1.4
177.12766	2.8
181.97882	1.4
187.06027	18.6
187.14784	3.4
205.04939	18.7
205.06873	2.3
205.08759	3.9
205.12187	8.4
205.13977	2.1
205.15909	4.0
205.19508	1.7
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	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03942	6.2
55.01870	2.9
55.05514	7.8
56.96560	3.1
57.03426	3.2
57.07082	11.2
59.52540	1.0
60.04507	4.0
61.02919	3.5
65.03937	8.1
65.41614	1.0
67.05508	13.3
69.03430	15.6
69.07071	23.0
69.07449	1.7
71.04987	3.6
71.54092	1.4
73.02903	5.3
79.05493	20.4
79.05920	2.3
81.03414	16.7
81.07058	23.7
83.04978	1.9
83.08611	4.5
84.04494	2.6
85.02905	24.2
85.04858	1.7
87.04462	1.3
89.03857	1.5
91.05480	37.8
93.03371	1.5
93.07040	27.9
95.04955	3.6
95.08052	2.0
95.08607	27.7
97.02894	37.7
97.06541	1.9
97.10181	2.1
99.04452	8.6
103.05441	1.9
104.18797	1.2
105.07030	42.9
106.26369	1.1
107.08598	29.0
109.02875	22.2
109.06486	2.0
109.10157	16.7
115.05412	6.6
116.06224	2.4
117.07021	73.1
119.08581	30.0
119.97899	1.5
121.02839	5.4
121.04025	1.9
121.06508	5.6
121.10144	20.7
123.11705	4.0
127.03924	15.1
127.05765	2.0
128.06224	1.4
129.07016	6.4
130.07779	2.2
131.08569	68.1
133.10121	12.1
135.08066	4.9
135.11694	7.9
137.09627	2.4
139.03865	2.4
143.08565	5.0
144.09344	2.0
145.02840	10.3
145.04956	3.3
145.06476	3.3
145.10124	56.8
147.11702	3.7
149.02344	68.6
149.09599	4.4
149.13257	9.4
157.10159	2.7
158.10883	2.2
159.08051	1.9
159.11690	25.0
159.47971	1.3
160.07581	1.3
161.13263	16.3
163.11192	3.7
163.14859	2.4
163.96851	2.1
172.12447	3.4
173.02379	1.4
173.05934	1.6
175.14815	5.0
177.12814	5.7
177.16409	6.2
181.97972	2.0
185.13287	1.6
187.06030	2.4
187.07567	1.3
187.11246	2.4
187.14822	56.7
190.09862	1.5
205.04988	24.4
205.06848	2.8
205.08604	7.1
205.12376	15.1
205.15878	100.0
205.19337	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	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03941	4.3
55.01887	2.2
55.05511	7.2
57.03429	4.1
57.07073	7.1
57.91921	1.2
60.04522	1.9
61.02928	2.8
63.41727	1.2
65.03937	3.9
67.05509	15.2
68.99747	1.1
69.03442	7.7
69.06729	1.7
69.07074	25.3
71.05003	2.7
71.53109	1.3
79.05498	18.8
79.34266	1.1
81.03428	8.8
81.07065	24.9
82.09483	1.4
83.04955	2.1
83.08627	2.9
84.04493	5.1
85.02926	11.2
85.04843	4.9
87.65601	1.2
91.05485	42.3
92.53550	1.1
93.07057	27.9
95.04961	2.6
95.08058	2.0
95.08617	29.1
97.02898	20.9
97.06531	2.5
97.10165	1.9
98.03253	1.3
99.04441	5.2
103.05434	2.5
104.04286	1.1
105.07043	46.2
107.04955	2.1
107.08602	33.9
109.02890	13.3
109.06519	2.4
109.10164	11.3
111.27143	1.3
115.05428	6.8
116.06229	3.6
117.07028	88.2
119.08581	32.6
121.02869	4.7
121.06551	2.8
121.10157	22.8
123.08051	2.3
123.11731	3.1
127.03948	6.1
127.04711	1.2
127.05880	3.2
129.07024	5.7
130.07779	5.2
131.04948	1.4
131.08580	69.9
132.09380	1.7
133.10132	13.0
135.08063	4.5
135.11688	9.7
137.09593	1.8
139.03909	1.8
143.08653	6.4
143.09529	1.2
144.09354	3.7
145.02885	5.7
145.04912	1.5
145.06500	5.1
145.10135	68.1
146.10896	2.4
147.11676	5.8
149.01155	2.2
149.02356	44.5
149.06009	2.2
149.09621	3.6
149.13266	7.4
157.10153	3.8
158.10883	1.7
159.08075	2.1
159.11707	26.8
161.05943	1.1
161.13280	21.2
163.11198	2.0
163.14857	4.0
167.39677	1.1
172.12456	2.9
173.05995	2.6
175.07448	1.3
175.14871	7.2
177.05466	1.7
177.09171	1.6
177.12752	2.6
177.16452	8.2
185.13216	2.5
187.07549	1.9
187.11224	2.3
187.14838	66.3
205.05011	19.4
205.06807	2.7
205.08551	7.4
205.12546	9.7
205.14362	3.5
205.15892	100.0
205.19301	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.02373	0.4
53.03937	0.9
55.05510	1.8
56.96552	1.1
57.07078	9.8
58.06600	0.7
60.04509	0.7
65.03937	4.9
67.05518	1.8
69.03445	2.3
69.07080	3.0
71.04999	0.4
71.54742	0.6
79.05499	2.5
81.03418	2.8
81.07061	8.7
83.08612	1.4
85.02898	3.0
89.03908	0.6
91.05483	1.2
93.03407	1.5
93.07046	8.1
95.08605	4.3
97.02892	7.5
97.10165	0.7
99.04455	1.4
105.07025	1.4
107.08603	5.3
109.02880	4.5
109.10146	4.5
111.04469	0.5
113.96393	0.5
119.00148	0.8
119.08551	0.5
121.02869	10.3
121.03981	2.8
121.06528	0.9
121.10148	20.4
123.11700	3.0
127.03915	1.8
127.05848	0.5
131.08604	0.5
133.10106	0.4
135.08052	0.5
135.11708	4.1
142.03464	0.5
145.02867	1.3
145.10161	0.6
149.02348	100.0
149.13274	7.5
150.02654	0.6
163.02777	0.8
163.11208	0.5
163.14836	0.8
167.03413	1.0
177.12764	1.2
190.05032	1.6
191.14374	0.9
191.32458	0.4
205.04987	5.5
205.06805	1.0
205.08716	0.9
205.12241	0.8
205.14136	0.9
205.15942	0.8
205.19569	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05518	12.0
57.07079	11.6
58.06581	1.2
65.03949	2.2
67.05508	14.1
69.07075	19.5
70.88629	1.7
70.88944	1.9
79.05479	3.8
79.27630	1.2
81.07057	12.5
83.08619	12.1
85.02928	1.5
91.05480	2.0
93.06551	1.8
93.07051	17.6
95.08612	42.4
97.10174	9.5
105.06999	3.2
107.08596	28.9
109.10161	100.0
111.11709	11.6
119.08573	1.5
121.02870	5.6
121.10146	41.6
121.11033	2.0
123.11717	13.6
129.16957	1.5
135.11702	47.9
149.02354	70.4
149.13263	28.2
163.14839	9.3
178.21725	1.3
190.05029	2.0
191.83511	1.1
205.04997	2.4
205.16069	3.0
205.19528	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05501	11.2
57.07072	14.5
65.03947	3.3
67.05515	18.5
69.07074	14.8
70.11837	11.0
79.05475	3.2
81.07075	19.2
83.08628	6.0
93.07030	13.0
95.08603	28.4
97.02861	7.4
97.10158	4.9
107.08588	25.0
109.09469	4.6
109.10158	60.3
111.11694	4.1
121.02840	8.7
121.10137	22.7
123.11708	10.3
127.03896	4.8
135.11674	19.5
149.02347	100.0
149.13268	22.7
163.14784	2.9
205.04951	9.0
205.08928	3.6
205.19550	37.0
222.54361	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03943	1.7
55.01867	1.1
55.05514	8.3
56.96559	1.8
57.06818	1.3
57.07075	12.0
65.03942	5.8
67.05503	9.3
69.03425	3.0
69.06725	1.4
69.07073	17.5
71.06099	1.0
71.08651	1.4
79.05497	10.4
81.03417	2.7
81.07060	50.1
83.08622	5.6
84.04523	0.9
85.02905	4.1
89.03888	0.9
91.05463	6.1
93.03420	1.3
93.07047	43.2
95.08612	32.7
97.02905	11.4
97.10158	5.7
99.04446	3.3
105.07040	5.7
107.07870	1.6
107.08600	30.0
109.02885	8.0
109.06511	1.7
109.10160	21.4
111.04465	0.8
111.11725	2.6
113.96394	0.9
117.07037	0.8
119.08588	2.4
121.02860	9.1
121.06516	1.6
121.10148	100.0
123.11711	9.5
127.03930	2.7
127.05905	0.9
131.08556	2.5
135.08099	1.7
135.11699	18.4
137.09695	0.8
137.13246	1.8
145.02843	2.1
145.10097	3.7
147.11696	4.8
149.02348	91.6
149.09564	1.4
149.13266	37.0
159.11708	1.4
163.02744	1.0
163.11147	1.0
163.14793	3.4
177.12706	1.2
177.16420	1.1
181.03825	1.2
187.14822	4.9
190.05063	0.8
205.05035	6.8
205.06825	1.7
205.08745	1.5
205.12224	3.2
205.14134	1.8
205.15935	4.6
205.19534	25.5
229.19250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03943	2.8
55.01867	2.7
55.05512	7.6
56.96558	4.0
57.03435	2.5
57.07089	10.6
60.04520	1.8
61.02937	1.7
65.03943	4.8
67.05508	11.1
69.03421	6.0
69.07070	16.7
71.08622	1.2
71.47939	1.1
72.20700	1.2
73.02872	1.5
79.05481	10.5
81.03425	5.6
81.06584	2.8
81.07064	46.0
83.08626	7.0
84.04492	1.8
85.02904	8.1
87.04441	1.2
91.05484	6.9
93.07050	46.1
95.08054	2.4
95.08618	29.4
97.02898	27.7
97.10177	4.0
99.04466	6.0
105.07028	6.8
107.08609	26.2
109.02897	20.9
109.10169	24.1
111.11709	2.3
117.07010	1.9
119.00240	1.7
119.08582	4.2
121.02877	5.2
121.04058	2.4
121.06500	2.8
121.10154	100.0
123.08060	2.0
123.11726	16.4
127.03934	9.1
127.05888	1.9
131.08586	2.7
133.10117	1.7
135.08022	2.0
135.11696	20.6
139.04001	1.8
145.02864	6.8
145.05000	1.8
145.10101	2.9
147.07957	1.5
147.11702	1.8
149.02356	53.9
149.05968	1.6
149.13272	40.6
159.11667	3.0
161.13220	2.6
163.02744	2.8
163.11322	1.7
163.14810	4.7
177.12779	2.4
187.14864	2.8
205.04980	21.3
205.06889	3.1
205.08934	3.6
205.12259	5.2
205.14182	4.4
205.15900	7.7
205.19533	37.7
206.19054	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01857	8.8
55.05515	11.2
56.05029	5.9
56.96564	100.0
57.03440	18.5
57.07068	4.5
58.06601	4.6
58.07389	2.7
59.05003	2.3
60.04528	26.6
61.02930	15.5
65.03930	8.0
67.05521	16.2
68.05010	4.5
68.99776	3.1
69.03432	28.4
69.07070	3.7
70.06585	4.1
71.01347	2.9
71.04983	9.9
71.53085	4.6
71.95225	3.1
72.04494	5.1
73.02920	35.4
73.06556	3.1
76.04015	15.4
78.17851	2.6
79.05499	7.6
80.04967	2.6
81.03411	15.0
81.07053	6.4
83.00804	3.6
83.04978	8.0
83.08636	2.0
84.04491	10.8
84.96023	10.7
85.02427	3.5
85.02899	39.4
85.05261	3.2
85.06540	18.8
86.03221	3.2
86.06063	4.4
87.04449	5.4
89.00764	2.3
90.05543	7.4
91.05454	4.5
93.03405	2.6
93.07034	9.2
95.04968	16.8
96.04433	2.9
96.08105	9.8
97.02890	35.6
98.01278	3.2
98.03230	5.7
98.06059	3.7
98.09676	6.7
98.96935	4.0
98.97585	76.9
99.04440	8.7
100.02240	3.8
101.00887	11.3
101.02421	5.2
101.06016	5.2
105.07011	7.9
106.06525	2.3
107.04939	10.2
107.08607	4.2
108.01514	3.4
109.02880	8.4
110.01270	6.5
110.06027	6.7
110.97565	22.5
111.04441	6.1
113.02377	4.5
113.05992	2.7
114.03773	16.3
115.02349	4.0
116.01686	27.7
116.07982	2.2
116.98619	35.1
119.01862	39.7
120.02018	3.4
121.01636	3.3
121.02861	6.1
121.06497	3.3
122.06021	3.1
123.04428	84.3
124.04703	6.3
124.07598	5.6
124.99122	3.7
125.06027	2.7
125.09657	2.8
127.03904	9.0
128.02335	25.0
128.04263	3.5
128.07085	5.1
128.98615	18.9
129.02051	2.8
131.00150	4.6
131.01833	10.6
132.04474	13.6
134.99658	9.9
135.04414	3.4
135.08031	6.1
137.02869	15.0
137.05984	4.6
140.10664	3.1
140.98593	3.0
142.03496	46.5
142.08647	6.0
143.00175	13.0
143.01817	8.3
144.10185	10.4
144.98024	3.3
145.01663	4.5
145.03455	3.6
145.05014	3.0
146.08095	3.0
146.99689	14.4
147.03214	2.7
147.04362	4.0
149.02464	5.4
149.06009	4.3
150.02631	13.7
151.03937	17.8
152.02295	5.6
152.04146	3.7
152.10776	3.0
155.00098	3.1
155.01801	4.9
155.04645	12.8
156.02524	5.9
156.52704	2.6
157.01694	2.8
157.03384	6.6
158.02322	5.0
158.99663	15.6
160.04292	56.7
160.07817	2.9
160.09665	6.0
161.01193	10.6
161.02866	6.9
163.02773	4.2
164.02179	4.7
164.05121	4.1
165.03059	5.9
165.05400	5.2
166.03780	3.8
167.07065	6.4
169.01656	3.0
169.04477	3.2
170.08118	11.5
170.99663	6.4
171.03110	9.7
173.01286	4.5
173.02834	6.7
174.01720	2.6
174.03651	8.3
175.04355	2.9
177.00710	13.3
177.05478	3.1
178.04987	66.7
178.08635	7.6
179.00073	4.0
180.03711	5.8
182.99651	17.4
185.01291	5.1
185.02820	28.2
187.02756	3.3
188.03452	13.0
188.07515	4.7
188.09161	19.8
188.10652	4.5
188.12842	17.1
189.00673	6.2
191.14342	8.9
194.03337	61.4
194.53471	11.4
194.99666	4.1
197.01286	3.2
201.00705	40.0
203.02232	2.8
203.03943	7.2
205.54077	6.4
206.04437	50.2
206.08260	18.4
206.10207	19.6
206.11884	4.3
206.13811	14.0
207.06392	3.5
213.00568	3.2
215.02158	3.7
219.01736	23.2
225.00726	7.8
228.04626	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	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
50.81817	0.3
53.03944	0.6
54.03478	0.7
56.05033	0.4
56.05344	0.4
56.85015	0.3
56.96574	2.0
57.03453	0.4
58.35947	0.3
61.02941	0.4
65.03938	2.1
67.01875	0.5
67.05508	20.4
68.05024	0.4
68.06317	0.7
69.03443	1.0
69.07074	1.5
70.08365	1.0
70.08755	0.6
72.04530	0.5
73.02924	0.4
75.45507	0.3
79.05492	4.5
80.05042	0.6
81.03432	0.7
81.07068	2.9
82.02956	3.1
82.06592	0.9
83.05005	0.4
84.04503	2.9
85.02921	1.3
91.05482	2.9
93.05802	1.2
93.07054	0.9
94.06573	1.8
95.04974	14.9
95.08593	0.7
96.04499	5.1
96.05773	1.6
97.02906	1.5
97.06528	0.4
98.97596	3.1
99.04446	0.5
103.05455	0.4
105.07050	2.5
106.06561	1.3
107.04958	0.6
107.07328	3.8
107.08605	0.9
108.04462	0.5
108.08128	19.0
109.06522	0.6
110.02450	0.6
110.03198	0.4
110.06052	7.3
116.01687	1.8
116.98647	1.4
117.05756	0.6
118.06539	0.4
119.01892	0.9
119.04922	0.6
120.08141	0.5
121.02905	0.4
121.10094	0.4
122.06067	2.1
122.09669	7.3
122.10481	0.6
123.04437	0.4
123.08068	0.6
124.07576	0.7
125.06013	0.8
127.03891	0.4
131.01897	0.5
131.08582	1.3
132.08153	0.8
133.06432	0.4
134.06010	0.7
135.06827	2.0
135.11644	0.4
137.05917	0.4
142.03479	0.7
143.08582	0.4
146.06015	0.9
146.99652	0.4
147.04465	0.4
148.07510	0.6
149.02394	0.6
150.02707	1.3
150.09148	34.5
151.07581	0.4
158.99593	0.6
160.04306	1.7
160.07597	0.7
163.06342	0.5
177.00783	0.8
177.02170	0.6
178.08640	100.0
179.09004	0.8
182.99638	0.4
188.07068	0.7
189.12773	0.5
191.14287	1.3
201.00729	0.6
201.05884	0.4
206.08128	88.7
207.06583	0.8
207.08449	0.7
207.13892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
56.96581	16.3
57.07082	6.2
65.88535	3.0
67.05511	10.3
69.03438	9.0
69.07063	4.2
76.90209	2.8
79.05511	5.2
81.03428	16.5
81.07045	15.4
83.04993	8.4
85.02904	6.7
91.05494	12.8
93.07071	6.3
95.04983	5.6
95.08615	12.0
97.02897	7.5
98.21539	5.9
98.97602	100.0
99.04468	3.2
105.07047	8.5
107.08584	8.5
109.06550	7.2
109.10173	30.3
110.97594	9.1
116.98646	40.7
118.34389	3.0
119.01927	5.0
119.04972	9.5
119.08597	5.2
121.06471	5.1
121.10165	3.7
123.08114	26.0
123.11703	4.8
131.55353	2.7
133.10161	5.6
134.99669	6.7
135.11685	7.7
136.05247	4.0
137.09625	11.6
142.03532	4.6
143.00163	3.0
146.03671	3.3
147.04425	6.5
149.02377	4.2
150.02730	8.8
151.11194	11.2
151.14877	3.8
158.99690	39.8
161.01286	2.8
161.05975	7.2
161.09692	3.5
164.04716	8.6
174.06435	5.0
177.00713	35.0
179.07079	7.3
189.09126	4.0
191.03152	2.8
191.14407	8.3
193.15895	31.9
194.08986	3.2
206.05244	5.5
206.08044	5.3
206.11995	3.9
207.06549	22.5
207.13802	3.1
215.09326	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	206.1025
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03946	0.6
55.01872	4.6
55.05502	2.6
56.05043	7.1
56.96551	1.7
57.03444	8.0
57.07091	0.9
58.06341	0.9
58.06607	11.9
59.04992	2.7
60.04270	0.7
60.04541	10.0
60.05650	1.2
61.02934	17.6
62.03253	1.0
67.05523	3.1
68.05042	4.9
69.03436	8.0
69.07090	1.5
69.96974	0.5
69.97322	2.8
70.03792	0.6
70.06602	31.5
71.01341	0.6
71.05001	4.9
72.04516	1.7
72.08150	1.3
73.02559	0.9
73.02924	11.3
74.03264	0.8
74.06077	1.3
75.03360	0.9
76.07642	2.3
79.05496	1.5
80.05025	9.6
81.03423	2.7
81.07043	1.9
82.06605	1.4
83.04996	3.5
84.04514	48.7
84.08175	1.1
85.02430	1.2
85.02914	16.8
85.06552	6.5
86.03257	0.9
86.06070	3.5
86.09702	1.1
86.95243	0.7
87.04449	2.9
88.07658	1.5
90.05556	1.7
93.03405	0.7
94.01781	0.6
94.02665	1.0
94.06570	1.2
95.01329	0.9
95.04960	1.6
96.04513	1.1
96.08143	44.6
97.02904	7.1
97.06555	0.7
98.01296	1.0
98.03213	1.0
98.06082	3.2
98.97593	3.0
99.04473	2.0
100.07600	1.4
101.00893	5.0
101.02476	1.2
101.06061	1.3
102.00986	2.3
102.05559	3.1
103.00658	3.7
103.02384	1.4
103.03862	0.6
106.06556	2.9
109.02969	1.1
110.01293	1.2
110.03213	0.6
110.06058	12.0
110.90292	0.6
110.97543	1.1
111.04476	0.8
112.02799	1.2
112.07630	1.4
112.08736	2.2
113.00848	1.3
113.02397	2.8
114.01015	0.8
114.03746	1.6
114.05544	22.9
115.00629	1.4
115.02431	2.3
115.03915	1.0
116.07099	0.7
117.02168	1.4
117.02924	0.7
119.01917	11.0
120.02006	3.6
120.53526	1.0
121.01690	4.5
121.03371	0.6
122.06046	13.1
123.02946	1.6
123.53045	0.7
124.07608	29.3
126.05520	1.3
127.02400	0.7
127.03964	3.0
128.02328	2.8
128.04218	1.0
128.07091	2.1
128.98584	0.8
129.03952	0.9
130.61604	0.6
131.01898	2.8
131.03531	1.0
132.02007	2.4
132.04420	4.4
132.06552	1.6
133.01683	3.0
133.03461	3.1
134.03537	1.1
134.06018	5.6
135.03177	1.8
137.02913	1.8
140.07034	5.0
141.03140	0.8
142.03496	5.3
142.08655	34.0
142.12273	6.0
143.00189	0.6
143.01891	2.6
143.08957	0.7
144.02058	1.4
144.03290	0.7
144.06535	0.9
145.01671	2.1
145.03491	1.7
145.52473	1.3
146.02274	0.8
146.03537	1.0
146.08107	2.0
146.97227	1.3
146.99617	0.7
147.03197	1.4
151.02657	0.8
152.07076	7.4
154.52972	1.9
155.01875	1.7
156.02010	1.0
157.01648	1.5
157.03458	1.3
158.03674	1.0
158.99722	0.8
159.03261	1.2
160.04317	5.0
160.09712	31.9
160.13322	2.4
161.02919	4.7
161.05678	0.8
162.03157	2.1
163.02715	2.6
164.03137	0.9
169.99980	1.2
170.08144	47.5
170.99689	0.9
171.01381	1.0
173.02980	2.8
174.03157	2.5
174.08807	8.0
174.11192	0.8
175.02727	2.6
175.04486	1.4
175.53571	0.6
176.03314	1.2
178.05009	17.8
183.03149	0.8
184.04602	1.4
185.02966	1.5
186.03178	1.4
187.01001	1.0
187.02698	1.5
187.04340	0.9
188.01077	1.9
188.07468	1.2
188.09169	23.0
188.12793	4.0
189.00655	1.8
201.00787	1.2
201.02475	1.8
203.04082	0.7
204.04121	1.6
205.03848	0.9
206.04565	16.5
206.10262	100.0
206.13762	13.0
215.00407	0.9
216.00626	1.4
217.00137	1.5
220.03738	0.9
222.05243	1.1
223.04773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03954	0.6
53.88275	0.5
55.05511	1.2
59.05008	1.6
63.37459	0.5
67.05513	1.3
69.03446	2.5
69.07063	1.2
70.89618	1.3
71.05000	2.1
79.05508	2.3
81.07065	2.1
83.04986	1.7
85.02929	0.5
91.05495	2.4
93.07048	4.7
95.08601	3.9
97.06541	1.8
105.07046	8.7
107.08600	6.6
109.06521	2.6
109.10180	0.5
115.58570	0.5
119.04958	1.0
119.08592	5.0
121.06465	2.6
121.10154	7.0
123.08077	8.5
123.11727	2.2
131.08592	1.7
133.06503	2.5
133.10158	0.9
137.09608	3.1
137.13329	0.6
143.08543	1.2
145.10117	1.4
147.08101	2.7
147.11688	4.7
149.09628	100.0
151.07562	1.8
156.09384	1.8
159.08063	0.8
159.11705	1.1
161.05917	0.7
161.09622	1.0
161.13263	5.8
163.11240	1.4
165.09074	0.7
165.12782	4.6
171.11760	5.7
174.10400	2.7
189.12767	19.3
189.14450	1.2
207.13809	43.0
225.85165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05523	17.6
57.03423	5.3
67.05500	6.1
69.03437	3.0
69.07076	12.4
70.63754	6.7
71.04993	3.4
79.05486	8.3
81.07053	15.4
83.04993	28.0
83.08619	2.7
85.02919	39.8
85.06556	5.3
89.62651	2.1
91.05491	18.1
93.07059	16.7
95.04970	8.3
95.08633	13.8
97.06529	17.3
98.04675	2.2
98.20829	2.7
99.04413	2.8
105.07050	29.8
107.08606	27.2
109.06538	75.6
109.10219	11.3
111.08110	17.7
119.04963	7.7
119.08601	40.4
121.06535	3.7
121.09344	2.8
121.10175	42.2
123.04411	2.7
123.08097	20.8
123.11737	28.1
125.09603	2.9
131.08586	6.7
133.06526	4.6
133.10162	12.9
135.08051	6.8
135.11670	3.6
137.05977	6.0
137.09634	28.9
137.13283	4.7
139.07539	2.4
143.08522	3.9
145.10121	6.5
147.04439	4.9
147.08081	11.5
147.11703	65.2
149.09642	36.5
151.07593	17.0
151.11249	2.8
156.09384	7.3
159.08092	6.3
160.08868	3.8
161.06009	9.3
161.09583	10.6
161.13284	36.1
163.03940	2.6
163.11253	3.3
164.04707	4.0
164.08350	3.0
165.12781	94.0
171.11729	13.6
174.10425	31.5
179.07065	5.4
179.14342	3.5
189.09129	4.1
189.12770	66.5
192.04192	3.0
207.06506	16.5
207.10481	3.5
207.13835	100.0
213.82320	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	2.1
55.01875	2.0
55.05515	7.4
56.32500	1.0
56.96570	2.6
57.07092	5.2
59.05001	1.0
65.03942	2.9
67.05181	1.5
67.05513	25.7
69.03440	7.0
69.07058	2.8
69.52717	7.6
71.05000	2.2
75.59525	1.1
79.05507	6.8
81.07066	10.0
83.04993	5.6
83.08612	1.9
85.02915	24.3
85.06553	12.4
91.05482	19.9
92.14025	1.2
93.07059	16.7
95.04975	4.0
95.08616	100.0
97.06513	1.8
98.97591	3.6
103.05450	1.2
105.07040	25.3
107.04948	2.8
107.08607	23.1
109.06535	9.4
109.10181	7.0
111.08131	1.8
113.06005	6.6
115.05505	1.8
116.06256	1.5
117.07064	1.3
118.04176	1.7
119.04960	9.4
119.08599	31.8
121.06532	5.5
121.10169	19.2
123.04443	10.0
123.08081	50.9
123.11704	20.0
125.06004	2.5
129.07019	2.3
131.08583	7.1
133.06493	3.9
133.10161	7.2
135.08043	2.6
135.11696	5.5
137.06065	1.5
137.09674	5.6
137.13275	1.6
139.03886	2.1
139.07549	1.8
143.04886	1.5
143.08586	2.0
145.10156	5.5
146.10936	1.3
147.04410	9.1
147.08066	7.0
147.11714	19.5
149.09633	75.0
151.03882	2.1
151.07552	5.5
151.14822	3.7
152.04262	1.3
156.09341	4.2
157.06528	1.4
159.08070	1.8
160.08829	1.8
161.06039	9.3
161.09587	3.9
161.13277	18.0
163.11227	3.2
165.09108	2.1
165.12799	13.2
171.11681	5.2
174.10446	5.1
175.03937	9.5
179.00208	2.1
179.07056	3.5
179.14278	3.1
189.05573	1.2
189.09114	2.9
189.12758	26.8
192.04082	2.0
197.01279	1.2
207.06537	11.1
207.13829	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05501	6.7
57.03431	3.4
57.07084	2.6
60.22741	1.4
62.82232	1.4
64.94597	1.4
65.03945	1.7
66.81284	1.4
67.05503	8.9
69.07063	8.8
71.54353	2.0
79.05496	7.5
81.07063	12.9
82.39280	1.4
83.04993	3.4
83.08575	1.9
85.06538	5.2
91.05498	10.3
93.07060	31.4
95.08620	21.5
98.49082	1.6
99.08010	2.2
105.07042	25.1
107.08607	62.4
109.06509	3.6
109.10160	14.2
111.08134	3.6
112.28699	1.5
113.09628	1.9
119.08601	35.3
121.10169	11.7
123.08066	9.4
123.11704	9.9
133.10147	46.8
135.11708	100.0
137.09634	9.5
137.13159	1.7
145.10146	2.8
147.11711	27.9
149.13261	14.8
151.11197	13.7
161.13266	5.9
163.14865	11.8
169.09380	1.7
189.16402	91.5
207.17461	74.1
225.80989	1.7
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
50.10263	1.0
53.03928	1.6
55.05514	7.3
56.33155	1.0
57.03424	3.9
57.04620	1.1
57.07063	3.1
67.05507	8.0
69.03437	5.1
69.07070	7.8
70.40300	1.0
71.04989	2.2
71.53847	0.9
78.05882	0.9
79.05505	5.6
81.03409	1.3
81.07062	15.1
83.05011	5.3
83.08603	2.3
85.06561	5.2
91.05491	11.5
93.06486	1.9
93.07053	27.2
95.04959	1.8
95.08617	26.4
99.04461	1.8
105.07041	23.5
107.08608	53.6
109.06524	3.7
109.10169	13.6
111.04432	1.6
111.08060	2.9
117.07013	1.5
119.08588	39.0
121.10154	11.3
123.08083	7.9
123.11735	8.5
131.08537	1.6
133.10146	41.5
135.11708	100.0
136.12024	1.5
137.09639	8.1
137.13235	1.3
145.10155	3.8
146.10866	1.2
147.11705	28.6
149.09665	2.4
149.13295	11.1
151.11215	15.1
153.44707	1.3
161.13251	7.3
163.14842	13.1
165.12729	1.4
165.16364	1.3
189.16403	91.9
190.16731	1.5
207.09729	1.5
207.17465	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	207.1745
Annotation	[S-(R*,S*)]- 3-Methyl-6-(1-methyl-5-hexenyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03941	1.4
55.01885	1.2
55.05515	4.1
56.96578	1.9
57.03438	2.4
57.07080	1.7
61.02935	1.0
67.05513	4.8
69.03428	9.9
69.07060	2.2
69.49579	4.9
71.04987	1.7
76.31012	0.7
79.05482	3.5
79.63752	0.6
81.03418	3.1
81.07063	5.3
83.04987	6.5
83.08608	1.4
85.02914	2.0
85.06533	0.9
91.05492	5.6
91.73975	0.7
93.07037	7.1
95.04980	1.5
95.08612	8.3
97.06541	2.2
97.10139	0.8
98.21496	1.0
99.04460	1.8
103.69093	0.8
105.07047	5.2
107.08607	5.3
109.06491	1.6
109.10139	4.8
111.04462	3.0
111.08086	100.0
115.96452	2.0
119.04953	2.0
119.08582	6.7
121.06570	0.8
121.10184	2.7
123.08070	87.1
123.11694	1.6
125.09624	0.8
129.05486	4.7
129.06996	1.1
133.10144	5.6
135.11720	4.0
137.06024	0.8
137.09619	4.2
143.03682	1.6
145.10121	0.8
147.04402	1.7
147.06567	0.9
147.11700	5.1
149.09595	1.3
149.13272	1.4
151.07587	1.6
151.11172	1.4
161.02940	0.8
161.04614	0.9
161.13260	2.3
163.14879	1.3
165.12729	0.8
175.03911	1.0
179.07030	0.7
183.29602	1.0
189.05539	1.2
189.12781	2.1
189.16397	7.1
192.04185	0.7
192.14471	0.8
207.06493	5.2
207.09953	1.2
207.14046	5.4
207.17448	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02365	1.1
53.00302	0.9
53.03954	7.7
55.01883	16.2
55.05523	5.0
57.03425	2.5
57.07088	2.0
61.02951	0.9
62.97409	0.8
65.03949	10.3
66.04711	1.0
66.35514	0.9
67.05513	8.2
67.05845	1.3
69.03438	4.2
69.07081	6.2
71.05007	6.1
75.04488	9.3
77.03926	2.3
78.04712	10.6
78.48891	0.9
79.05505	8.5
81.03443	5.5
81.07063	6.7
82.04190	1.2
83.04994	6.7
83.08627	2.7
85.02908	9.3
85.06568	1.2
89.03934	6.0
89.06055	2.0
91.04915	1.3
91.05494	43.8
93.03419	27.4
93.07053	24.1
95.04980	49.5
95.08617	5.7
97.06538	11.1
97.10167	1.1
98.97605	1.1
99.04466	5.8
99.08116	1.3
103.05478	21.1
105.03416	2.2
105.04517	2.8
105.07062	5.2
106.04186	79.7
107.04973	6.9
107.08605	9.5
108.05743	1.6
109.06538	10.1
109.10179	5.2
111.04460	3.5
111.08082	1.6
114.56445	1.0
117.03404	6.2
117.07038	1.2
118.04195	2.0
119.04961	3.5
119.06019	1.0
119.08605	3.0
120.05717	1.7
121.06519	79.9
121.10144	6.9
122.03642	1.5
122.07339	2.5
123.04441	3.1
123.08076	3.9
124.05211	2.4
125.06015	20.1
125.09620	4.4
131.04964	6.9
131.08565	3.0
133.02853	1.9
133.06511	2.2
133.10149	3.9
134.03650	14.2
135.04428	3.8
135.08073	4.8
135.11697	3.7
136.05281	1.4
137.06001	15.3
137.09645	2.0
138.03165	0.9
138.06760	3.4
139.07564	5.7
139.11229	1.7
145.02861	6.3
145.10117	2.7
147.04355	2.5
147.11691	1.4
148.05186	8.5
149.06001	100.0
149.09613	7.1
149.13292	2.6
151.03888	1.6
151.07605	4.3
151.11201	4.6
152.08241	1.3
153.05505	6.2
153.09122	29.6
159.04436	1.8
162.03120	1.1
163.03987	1.6
163.07591	6.3
163.11226	2.1
163.14810	2.4
165.05551	1.9
165.12746	2.5
166.06322	2.2
167.07069	1.0
167.14330	2.3
173.13269	4.2
176.04730	1.2
177.05490	42.8
180.07834	1.0
181.08624	20.6
191.07056	8.1
191.14351	10.8
193.04980	0.9
194.05733	1.0
209.06061	1.5
209.08107	24.8
209.09952	1.4
209.11658	2.2
209.15398	17.3
209.18988	0.9
219.77365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.89782	1.5
53.03943	3.5
55.01860	4.9
55.05518	50.8
57.03438	3.2
57.07073	2.4
59.04988	4.8
65.03934	2.3
67.05520	11.2
69.03418	6.9
69.07076	7.5
71.05000	11.8
79.05513	10.8
81.07059	19.2
83.04992	50.2
83.08158	2.0
83.08630	29.8
85.06533	2.7
90.35236	1.5
91.05487	13.1
93.03409	3.1
93.07053	19.4
95.04980	100.0
95.08619	12.8
97.06539	11.1
97.10164	5.4
99.03943	1.7
99.04471	21.4
99.08119	4.0
103.05453	3.1
105.07053	12.1
106.04207	12.3
107.04993	1.8
107.08605	31.5
108.58215	1.6
109.06528	25.5
109.10172	23.2
111.08091	11.1
119.08591	5.2
121.06508	15.3
121.10152	33.7
123.08064	4.9
123.11731	10.2
125.05986	3.0
125.09641	14.7
131.04897	3.2
131.08565	6.2
133.10152	28.9
134.03673	1.9
135.08099	9.0
135.11685	6.7
137.05914	1.8
137.09593	4.9
143.08607	2.1
145.10126	2.9
147.11687	6.9
148.05214	3.1
149.05995	15.7
149.09642	27.0
149.13281	12.9
151.11200	38.9
152.59178	1.5
153.07918	3.7
153.09119	38.5
158.10994	1.9
163.11246	2.2
163.14787	5.8
165.12747	1.9
167.07019	1.8
167.14333	49.6
173.13272	16.7
177.05481	10.8
181.08629	3.6
191.12689	2.4
191.14328	29.6
209.08076	6.9
209.15375	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.44923	1.8
55.05312	1.6
55.05509	17.9
57.07063	4.8
59.05008	2.4
67.05521	9.1
69.03437	18.5
69.07072	15.8
70.86155	4.7
71.04981	5.5
79.05484	5.9
81.07072	13.1
82.09354	1.4
83.04979	17.8
83.08617	10.9
85.06544	3.9
89.54988	1.8
91.05466	6.3
93.07047	19.7
95.04972	3.2
95.08614	20.3
97.06536	4.1
97.10168	15.7
99.08103	18.9
105.07047	8.2
107.08606	46.3
109.06494	8.7
109.10179	17.0
111.08080	8.9
113.06000	7.5
119.08604	3.5
121.06547	4.7
121.10143	31.7
123.08051	4.9
123.11699	7.7
125.05993	6.1
125.09638	91.7
127.07559	1.9
131.08592	4.4
133.10141	11.8
135.08049	15.7
135.11693	6.6
137.09622	3.8
139.07520	5.9
139.11191	5.5
142.90086	1.7
145.10114	3.5
147.11700	5.7
149.09630	100.0
149.13248	21.0
151.11192	55.5
153.09105	29.9
154.09879	5.6
158.10896	2.5
163.14821	19.0
165.12738	3.9
167.10707	3.7
173.13289	14.9
191.14304	45.1
209.15379	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.51894	1.1
53.03941	1.9
55.01867	1.7
55.05522	8.1
57.03439	3.7
57.07071	3.8
59.05010	9.1
67.05511	8.2
69.03431	10.4
69.07078	7.3
69.29463	1.5
69.29870	9.6
71.04994	12.5
75.40402	1.1
78.54531	1.1
79.05503	6.4
81.07072	13.7
83.01329	2.0
83.04979	7.6
83.08619	5.4
85.02908	1.8
85.06536	2.1
91.05473	10.0
93.07060	20.6
95.04974	12.0
95.08613	15.6
97.06560	5.7
97.10158	3.1
98.21463	1.9
99.04452	5.0
99.08105	4.3
101.06010	1.3
103.05458	1.2
105.07031	8.3
106.04182	3.5
107.04976	1.3
107.08604	51.7
109.06567	8.0
109.10171	24.8
109.98393	1.2
111.08081	4.3
117.07027	1.6
119.08600	7.6
121.06511	7.6
121.10151	55.3
123.08049	6.0
123.11681	6.0
125.06009	2.0
125.09617	12.0
131.08614	9.1
133.10136	11.9
135.08069	11.0
135.11671	7.9
137.09645	4.5
139.07571	2.9
139.11172	7.8
143.08563	1.4
145.10149	6.5
147.11707	9.2
149.05957	3.1
149.09628	14.9
149.13272	38.2
151.11208	18.4
153.05389	1.2
153.09116	12.9
158.10942	3.6
163.11223	2.6
163.14816	19.5
165.12819	1.4
167.10660	2.6
167.14244	2.6
173.11783	1.7
173.13264	23.4
177.05463	2.6
191.14323	66.9
191.24307	1.5
209.08075	3.6
209.11995	2.7
209.15387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05507	1.1
55.95401	0.4
59.04993	0.8
67.05161	0.4
67.05502	2.2
69.03439	0.9
69.07088	1.1
69.24470	3.6
71.04999	6.2
71.45629	0.4
79.05504	1.6
81.07085	2.8
83.04983	1.4
83.08620	0.6
85.06562	1.3
91.05487	1.4
93.07052	3.4
95.04979	100.0
95.08614	2.4
97.06550	1.6
99.04469	20.0
99.08137	0.8
105.07032	2.1
106.04199	1.2
106.92178	0.4
107.08594	4.7
109.06538	2.3
109.10154	2.8
111.08088	1.6
115.07606	0.4
117.07069	0.5
119.08605	0.9
121.06526	1.6
121.10170	3.7
123.08072	0.4
123.11720	0.6
125.09643	2.0
131.08586	1.4
133.10135	6.4
135.08049	2.2
135.11751	1.2
137.09630	0.6
139.07556	0.5
139.11230	1.4
145.10181	0.8
147.11696	1.0
149.05984	0.7
149.09607	1.7
149.13298	2.6
151.11195	3.4
153.09120	27.5
158.10883	0.5
159.15526	0.4
163.14850	1.7
167.14267	0.5
172.00517	0.4
173.13280	5.1
177.20750	0.4
181.08652	0.4
185.92389	0.4
191.14322	5.9
209.08177	0.8
209.15390	20.4
210.15808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03949	4.4
55.01862	2.7
55.05270	3.4
55.05518	52.2
57.07080	4.0
59.05004	4.0
65.03957	2.2
67.05497	7.1
69.03439	16.5
69.07092	9.3
70.31664	4.0
70.32029	3.6
71.04988	6.2
79.05497	3.5
81.03445	13.9
81.07063	17.7
83.04491	3.1
83.04991	57.6
83.08630	33.7
84.59084	1.7
85.06539	3.6
91.05512	9.4
93.03422	3.7
93.07051	10.7
95.04982	23.2
95.08603	21.3
97.06543	8.2
97.10188	6.2
99.04469	5.4
99.08127	2.1
103.05499	3.1
105.07046	6.9
106.04173	9.6
107.08602	31.2
109.06537	15.9
109.10165	20.0
111.08089	7.8
113.09625	3.4
119.08604	6.0
121.06544	10.4
121.10162	27.2
123.08109	13.5
123.11739	17.8
125.09660	10.2
131.08594	5.2
133.10156	15.4
135.08051	6.5
135.11749	2.2
137.09628	3.4
137.13185	2.1
147.11696	6.1
149.06017	11.3
149.09669	15.5
149.13290	17.6
151.00456	2.0
151.11206	63.0
151.12369	3.9
153.09157	10.6
158.10965	2.0
163.14821	3.6
164.35431	1.9
165.12773	100.0
167.14339	62.2
173.13304	8.6
177.05472	6.7
181.08626	3.2
191.14351	11.1
208.28267	1.9
209.08104	4.2
209.15399	87.8
228.01590	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.36639	1.4
52.80505	1.6
55.01868	1.8
55.05513	23.5
57.03440	2.1
57.07072	4.6
57.41729	1.3
59.04991	3.4
67.05513	9.6
69.03431	21.5
69.07072	16.3
69.88366	1.5
70.31558	3.9
71.04977	5.5
79.05486	6.7
81.07084	12.9
83.04982	22.0
83.08624	9.8
85.06564	7.4
91.05477	7.3
93.07060	18.2
95.04995	9.2
95.08617	24.0
97.06541	6.9
97.10165	16.6
98.39778	1.5
99.08105	18.6
105.07038	8.4
107.08604	45.7
109.06548	8.7
109.10165	17.6
110.08224	1.7
111.08096	10.6
113.06008	7.5
119.08591	1.8
121.06551	3.7
121.10156	36.6
123.08056	5.2
123.11697	7.0
125.05974	6.5
125.09640	99.3
125.13283	2.2
131.08580	4.9
133.10147	14.4
135.08073	17.4
135.11681	5.4
137.09648	5.5
139.07562	7.3
139.11156	5.0
147.11658	5.9
149.09631	100.0
149.13231	19.0
151.11189	57.8
153.09116	24.9
154.09924	2.9
154.71112	1.6
158.11032	1.9
163.14845	19.1
165.12755	5.7
167.10672	3.4
167.14281	2.5
173.13290	15.0
191.14322	48.6
209.15384	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01862	2.7
55.05270	3.4
55.05518	52.2
57.07080	4.0
59.05004	4.0
65.03957	2.2
67.05497	7.1
69.03439	16.5
69.07092	9.3
70.31664	4.0
70.32029	3.6
71.04988	6.2
79.05497	3.5
81.03445	13.9
81.07063	17.7
83.04491	3.1
83.04991	57.6
83.08630	33.7
84.59084	1.7
85.06539	3.6
91.05512	9.4
93.03422	3.7
93.07051	10.7
95.04982	23.2
95.08603	21.3
97.06543	8.2
97.10188	6.2
99.04469	5.4
99.08127	2.1
103.05499	3.1
105.07046	6.9
106.04173	9.6
107.08602	31.2
109.06537	15.9
109.10165	20.0
111.08089	7.8
113.09625	3.4
119.08604	6.0
121.06544	10.4
121.10162	27.2
123.08109	13.5
123.11739	17.8
125.09660	10.2
131.08594	5.2
133.10156	15.4
135.08051	6.5
135.11749	2.2
137.09628	3.4
137.13185	2.1
147.11696	6.1
149.06017	11.3
149.09669	15.5
149.13290	17.6
151.00456	2.0
151.11206	63.0
151.12369	3.9
153.09157	10.6
158.10965	2.0
163.14821	3.6
164.35431	1.9
165.12773	100.0
167.14339	62.2
173.13304	8.6
177.05472	6.7
181.08626	3.2
191.14351	11.1
208.28267	1.9
209.08104	4.2
209.15399	87.8
228.01590	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.67666	2.0
53.03949	3.5
55.01873	5.5
55.05513	89.7
57.03434	3.7
57.07069	2.9
59.04995	5.6
65.03944	3.8
67.05508	16.2
69.03418	8.5
69.07053	10.2
71.05000	10.0
71.14716	4.8
78.04695	2.3
79.05489	8.9
81.07061	24.4
83.04483	4.6
83.04982	96.2
83.08142	4.3
83.08620	56.4
85.06562	4.0
91.05476	11.7
93.07045	32.6
95.04969	100.0
95.08585	12.3
97.06516	11.2
97.10179	10.6
98.97619	2.7
99.04450	20.4
99.08096	2.7
103.05483	4.9
105.07030	10.7
106.04178	8.8
107.08601	36.4
109.06524	28.1
109.09463	3.1
109.10163	33.4
111.04521	3.6
111.08109	13.1
113.09662	2.8
119.08590	6.0
121.06505	16.7
121.10139	62.5
123.04420	4.2
123.08046	4.9
123.11708	12.7
125.06006	4.4
125.09624	15.4
131.04936	5.0
131.08614	6.0
133.10135	22.3
133.39986	2.2
134.03629	2.6
135.08063	5.4
137.09674	2.9
139.03905	13.1
147.11742	3.1
149.06021	18.6
149.09637	4.2
149.13246	14.1
151.11191	54.1
153.09113	36.0
163.07562	2.5
163.14839	13.6
167.14322	92.9
173.13309	10.9
177.05484	19.8
181.08693	5.1
191.14264	11.5
194.05821	4.1
195.83647	2.2
207.71654	2.1
209.08081	16.7
209.15375	66.6
209.67773	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.06561	0.3
53.03944	1.0
55.01873	1.0
55.05508	1.1
57.03426	0.7
61.43808	0.3
65.03938	0.9
67.05492	2.8
68.99792	0.7
69.03431	0.7
69.07062	1.0
69.38547	2.2
71.04984	0.9
77.03935	0.4
78.04732	0.7
79.05491	4.5
80.51698	0.3
81.03418	0.7
81.07070	2.0
85.06579	0.6
91.05485	7.0
93.07053	2.3
94.98769	0.4
95.04977	6.3
95.08596	2.8
97.06505	0.4
99.08099	1.0
103.05469	2.6
105.03395	0.7
105.07037	9.5
107.04950	1.6
107.08601	1.1
108.05753	0.9
109.02877	1.2
109.06532	1.5
109.10149	1.3
110.03674	1.5
111.04453	0.9
111.08071	0.4
115.05473	1.0
118.04124	2.0
119.04944	6.0
119.08588	1.2
120.05765	0.5
121.02873	1.1
121.06522	1.7
121.10158	1.5
123.04430	42.7
123.08063	4.1
123.11689	2.8
124.05224	0.7
125.09611	0.4
133.06493	5.7
133.10118	1.2
134.07312	0.4
135.04387	1.2
135.08069	0.6
135.11700	1.1
136.05219	0.8
137.05966	2.7
137.09592	0.6
146.03633	0.4
147.04407	5.0
148.05084	0.4
149.05965	2.8
150.06761	3.7
151.03934	4.0
151.07542	24.7
151.14862	0.3
155.10594	0.4
161.05966	1.1
161.07098	1.7
165.05640	0.5
165.09128	3.6
167.07040	11.6
175.14821	1.4
178.06293	0.4
179.07034	100.0
180.07593	1.0
181.08643	1.8
181.86360	0.4
185.96648	0.3
193.08609	9.3
193.10313	0.6
193.12292	0.4
193.15857	1.5
211.09656	18.1
211.16882	1.7
224.72058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
52.56620	0.4
53.03961	0.7
55.01892	1.2
55.05524	1.2
56.96586	1.0
57.03457	1.1
65.03944	0.9
67.05517	4.1
69.03441	0.7
69.07080	1.0
69.37833	0.6
69.38242	2.8
78.96154	0.4
79.05501	4.3
81.03449	0.8
81.07070	2.3
81.07485	0.5
83.05000	1.5
83.08633	0.7
91.05499	6.5
91.06017	0.6
92.92430	0.5
93.03427	0.7
93.07060	2.5
95.04987	7.1
95.08627	2.7
96.38887	0.4
97.06578	0.5
98.21575	0.9
99.08121	0.9
103.05464	3.2
105.03393	0.7
105.07044	7.8
106.04153	0.7
107.04968	0.8
107.08616	1.4
108.05733	0.9
109.02905	0.7
109.06522	1.4
109.10188	1.9
110.03693	2.0
111.04501	0.6
115.05462	0.6
118.04206	1.5
119.04955	5.0
119.08609	1.1
121.02888	1.1
121.03956	0.6
121.06517	2.6
121.10173	0.8
122.03580	0.5
122.07317	0.4
123.04447	40.0
123.08070	3.7
123.11754	0.7
133.06503	5.3
133.10155	1.6
135.04433	1.1
135.08052	0.8
135.11693	0.8
136.05205	1.2
137.06004	2.9
137.09619	1.4
147.04436	5.1
147.11710	0.6
149.02327	0.4
149.06006	3.0
150.06804	3.4
151.03952	3.6
151.07559	24.7
151.11128	0.5
155.10716	0.5
161.05978	1.0
161.07161	1.9
165.09178	2.9
165.12759	0.5
167.07059	12.3
175.14867	0.7
179.07056	100.0
180.07629	1.1
181.08638	2.3
182.19447	0.5
183.06529	0.5
193.08644	7.6
193.15894	1.3
209.56877	0.5
211.09680	17.4
211.13052	0.6
211.16991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02385	1.5
53.03944	4.6
55.01876	6.8
55.05513	52.0
56.96345	1.1
56.96572	13.0
57.03193	1.2
57.03438	17.1
57.07077	2.5
59.04994	3.6
60.23378	1.0
65.03926	2.9
67.05506	43.9
69.03085	1.2
69.03436	17.6
69.07070	25.3
69.91655	3.3
69.92079	1.7
71.01359	1.1
71.04993	10.4
78.04709	1.6
79.05493	40.5
81.03420	100.0
81.07061	56.2
83.04986	59.8
83.05435	0.6
83.05518	0.9
83.08621	44.0
84.96014	2.1
85.02895	3.5
85.06529	7.7
86.09708	1.8
91.05482	42.0
93.06477	2.0
93.07046	35.2
95.04972	51.8
95.08608	40.3
97.02930	5.0
97.06531	8.4
97.10184	8.2
97.99170	4.1
98.21392	1.4
99.04430	3.6
99.08092	15.9
101.06004	1.7
103.05447	2.8
105.03315	1.1
105.04493	1.8
105.07035	36.5
106.04158	2.1
107.04975	8.4
107.08601	25.0
109.02863	1.6
109.06519	11.7
109.10162	28.8
111.04433	3.0
111.08074	18.5
113.05986	1.9
115.05420	2.8
116.00207	2.1
117.07018	2.2
119.04929	3.7
119.08588	36.9
121.06532	6.3
121.10149	17.2
123.04427	20.1
123.08070	11.3
123.11715	10.9
125.09640	8.0
127.07554	1.2
127.11201	2.8
129.07019	12.9
131.08572	15.4
133.06532	7.3
133.10139	32.9
135.08073	1.8
135.11694	17.0
137.05968	6.0
137.09622	18.7
139.11180	2.7
142.07790	3.1
145.10103	2.4
147.04405	2.8
147.08032	4.4
147.11694	22.6
149.05957	6.7
149.09633	9.4
149.13254	8.9
151.03918	3.5
151.07570	9.3
151.11183	3.3
151.14833	1.2
152.04637	1.1
153.12767	2.7
155.10686	4.5
157.10133	19.2
161.05905	1.1
163.14807	3.5
165.09100	2.8
165.12758	3.7
167.07048	70.2
167.10686	5.0
167.14302	1.8
169.10110	4.4
175.11206	22.1
175.14845	17.7
179.07059	34.6
181.08618	6.5
181.09961	1.4
183.06534	1.2
186.96356	0.9
193.08554	2.3
193.12251	56.0
193.15894	16.8
196.12518	1.1
211.05888	2.0
211.07715	1.7
211.09679	9.4
211.11502	1.4
211.13197	29.4
211.16725	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02365	2.4
53.03934	7.3
55.01855	7.1
55.05270	3.2
55.05511	43.8
55.07314	1.8
56.96561	29.1
57.03434	26.4
57.07084	2.4
59.05002	2.1
65.03921	2.5
67.05505	43.1
69.03426	15.6
69.07069	21.5
71.04971	9.0
71.54385	2.3
79.05492	38.0
79.73398	1.9
81.03418	100.0
81.06586	3.3
81.07059	54.8
83.04980	54.3
83.08618	40.8
84.96002	3.8
85.02888	3.4
85.06533	6.4
87.04444	1.8
88.01676	2.0
91.05482	48.9
93.03401	2.0
93.07042	38.3
95.04972	49.6
95.08611	22.9
97.02882	7.4
97.06535	16.2
97.10146	9.3
97.99191	13.6
98.06042	1.8
99.04449	3.9
99.08079	4.7
103.05482	2.0
105.04531	2.0
105.07021	34.6
107.04955	11.5
107.08607	19.5
109.06507	11.9
109.10159	18.5
111.04430	5.5
111.08101	18.3
113.05997	2.7
116.00197	7.3
117.07007	3.3
119.04913	5.0
119.08580	33.6
121.02817	2.1
121.06491	6.6
121.10146	18.5
123.04444	20.0
123.08080	11.7
123.11683	7.7
125.05974	3.9
125.09623	8.0
129.07008	12.8
131.08566	15.5
133.06447	5.8
133.10149	18.1
135.08011	2.3
135.11682	10.1
137.05965	8.1
137.09653	9.2
137.13255	4.0
139.11130	3.9
142.07764	4.2
147.04340	2.3
147.07997	6.2
147.11671	24.4
149.05934	3.4
149.09590	13.4
151.03900	4.7
151.07539	7.3
151.11157	5.8
157.10156	21.9
165.09267	2.1
165.12759	7.3
167.07037	37.0
167.10690	9.6
169.10184	3.8
175.11165	23.9
175.14804	5.3
179.07039	28.6
181.08641	3.7
183.06483	4.1
193.04924	3.4
193.08514	4.3
193.12248	65.2
193.15869	3.4
211.05872	3.9
211.07668	2.9
211.09558	5.4
211.11314	3.2
211.13182	40.7
211.14696	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.11613	2.2
50.15995	2.2
53.03949	3.3
55.01867	4.6
55.05519	36.5
56.96574	37.6
57.03434	11.5
57.07094	2.2
67.05190	2.3
67.05512	31.7
69.03429	5.5
69.07078	15.6
69.75151	6.3
69.75539	4.4
69.83389	2.1
71.04987	5.2
79.05503	31.4
81.03426	100.0
81.07064	42.6
83.04989	46.3
83.08626	37.8
84.96030	9.5
85.06545	3.7
91.05488	31.2
93.07067	20.3
95.04974	34.4
95.08628	17.9
97.02933	4.7
97.06542	5.3
97.10168	10.2
97.99181	16.8
98.20813	3.0
99.08075	3.3
105.07034	22.7
107.04963	8.1
107.08608	13.8
107.65673	2.1
109.06512	7.3
109.10172	8.1
111.04464	3.2
111.08082	14.3
116.00241	7.5
119.08585	23.9
121.10114	7.8
123.08077	3.9
123.11731	4.0
125.09694	2.4
125.98640	2.4
129.07005	13.9
131.08580	10.1
133.06482	5.1
133.10165	13.1
135.11682	2.6
137.09601	4.9
142.07774	3.4
147.08061	2.9
147.11687	20.4
149.09641	8.2
157.10143	16.2
165.12787	4.2
174.50496	2.1
175.11180	19.0
193.12273	56.2
211.13249	22.8
211.14951	5.7
211.16818	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	11.9
55.01860	10.4
55.05511	47.3
56.96346	3.7
56.96569	38.0
57.03439	65.0
57.07077	4.7
59.04961	2.7
65.03928	11.3
67.05507	73.7
68.90192	2.9
69.03409	12.0
69.07071	31.7
70.10278	12.1
71.01337	4.2
71.05000	19.8
71.69365	2.9
75.48801	2.6
76.69527	2.5
79.05494	62.5
80.80812	2.7
81.02985	4.4
81.03426	57.2
81.07053	67.0
83.01335	3.4
83.04991	32.4
83.08619	32.8
84.96033	9.2
85.02892	7.5
85.06535	12.6
91.05482	100.0
93.07051	63.7
95.04969	49.0
95.08610	49.9
97.02870	6.3
97.06543	21.1
97.10178	9.3
97.99179	11.8
98.20781	3.7
99.04461	6.9
99.08078	9.0
103.05450	5.1
104.06227	3.3
105.04503	4.1
105.07034	34.2
106.04201	3.1
107.04971	18.4
107.08578	32.9
109.06525	30.1
109.10161	43.0
111.04412	4.0
111.08056	13.3
113.06036	5.0
115.05422	4.3
116.00224	8.2
116.46661	2.7
117.07005	16.0
119.04903	4.3
119.08596	58.4
121.06483	12.6
121.10134	18.4
123.04436	26.6
123.08057	17.6
123.11711	13.0
125.09621	12.7
127.03913	3.1
129.07002	10.7
131.08582	16.1
133.06534	4.5
133.10132	26.6
135.08076	4.9
135.11685	14.6
137.05988	11.0
137.09602	16.1
137.13336	6.9
139.11157	6.9
147.04466	4.7
147.08099	5.5
147.11676	18.4
149.05997	5.5
149.09587	6.4
149.13278	7.2
151.03934	6.4
151.07532	12.9
151.11185	4.8
151.14772	7.3
155.08530	4.3
157.10144	11.3
157.15981	3.1
165.05574	6.4
165.12787	8.2
167.07059	34.1
167.10666	11.2
169.10095	5.6
175.07739	2.9
175.11172	14.1
175.14824	24.1
179.07066	30.9
181.08557	5.5
181.10019	4.3
183.11676	3.9
193.08623	5.9
193.12265	36.1
193.15868	11.9
211.05994	8.3
211.07843	4.4
211.09615	8.6
211.11290	5.4
211.12953	21.2
211.14848	12.8
211.16902	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	211.1332
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03934	4.8
55.01878	6.1
55.05518	48.1
56.96560	4.1
57.03443	11.1
57.07080	2.6
59.05005	2.6
65.03950	1.9
67.03499	1.1
67.05515	40.2
69.03139	1.2
69.03441	14.4
69.06728	1.9
69.07076	22.3
69.95656	4.9
70.70817	1.0
71.04994	10.1
73.46768	1.1
77.03944	1.2
78.04729	1.4
79.05064	2.0
79.05502	32.9
81.03428	100.0
81.07067	52.5
83.04992	50.0
83.08627	38.6
85.02908	2.4
85.06557	6.8
91.05490	38.6
93.06481	2.0
93.07061	36.0
95.04978	59.6
95.08622	35.8
97.02892	3.6
97.06519	5.5
97.10191	10.8
97.99181	4.2
98.74464	1.0
99.04484	1.9
99.08108	21.4
103.05465	1.3
105.04498	1.2
105.07040	33.2
107.04978	7.0
107.08611	29.0
109.06548	8.7
109.10168	26.1
111.04444	3.4
111.08096	16.5
113.06018	2.1
115.05473	2.8
117.07004	1.9
119.08597	37.3
121.06530	6.2
121.10156	19.2
123.04441	14.4
123.08067	10.4
123.11720	9.9
125.09677	5.6
127.11172	2.4
129.07021	12.0
131.08595	10.6
133.06494	5.1
133.10149	35.2
135.11723	16.5
137.05965	4.8
137.09633	20.2
142.07780	2.9
145.10072	1.2
147.08015	4.7
147.11717	17.9
149.05988	4.0
149.09647	7.8
149.13301	12.2
151.03899	2.4
151.07518	4.1
151.11174	3.0
151.14767	1.4
153.12735	1.3
155.10681	8.1
157.10132	16.5
161.58301	1.4
163.11244	1.7
165.12753	5.2
167.07063	66.8
167.18584	1.2
175.11215	19.1
175.14835	20.4
179.07074	15.9
181.08644	3.1
193.08572	2.9
193.12270	56.1
193.15906	13.7
211.07739	1.6
211.09647	4.9
211.13297	27.6
211.16898	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03946	3.2
55.01867	4.9
55.05267	2.1
55.05513	32.5
56.96566	12.4
57.03441	18.5
57.07059	7.1
58.03863	1.5
59.05013	8.8
62.32519	1.6
65.03938	2.7
67.05174	3.1
67.05509	48.5
69.03433	27.8
69.07072	28.9
69.69183	3.4
69.69598	8.1
71.04999	63.2
71.08607	2.6
73.06540	3.0
78.04728	2.2
79.05501	23.4
81.03423	12.2
81.07063	68.7
83.04491	1.9
83.04988	30.0
83.08155	2.0
83.08625	24.6
84.96021	2.9
85.02882	2.2
85.06553	26.2
87.33637	1.6
90.98613	1.6
91.05486	23.6
93.06485	2.5
93.07053	41.3
95.04981	20.9
95.08614	82.9
95.19038	1.6
96.37029	2.1
97.02872	3.5
97.06533	21.7
97.10165	6.0
97.99191	4.4
99.04461	8.3
99.08115	19.7
99.41405	1.6
103.05471	2.3
105.07029	25.5
107.04955	3.3
107.08595	42.0
109.06516	16.8
109.10167	92.6
111.04475	2.2
111.08081	17.4
113.09649	3.0
115.07574	21.8
119.04935	3.1
119.08587	43.2
121.06507	7.5
121.10155	27.4
123.04446	30.1
123.07216	2.1
123.08086	24.3
123.10813	3.3
123.11710	52.2
124.05283	2.1
125.05994	2.2
125.09641	24.3
127.07541	13.3
127.11198	7.0
133.06482	5.4
133.10135	39.5
134.03714	2.1
135.11703	74.5
137.05980	20.0
137.09633	45.1
137.13231	6.5
139.07600	2.0
139.11157	6.9
141.09093	3.1
141.12704	3.9
143.37158	1.8
147.04382	2.9
147.08096	2.6
147.11710	12.6
149.05983	7.4
149.09616	3.5
149.13245	11.9
151.03902	3.8
151.07564	15.0
151.11185	7.9
151.14835	8.0
152.04752	1.9
153.12767	10.9
155.10689	13.7
157.10139	4.3
163.14830	2.3
165.05449	3.4
165.09137	4.1
165.12726	5.4
165.16476	2.8
166.06195	2.1
167.07054	100.0
167.10709	5.6
167.14299	8.2
175.11249	4.4
175.14842	54.0
179.07051	51.8
181.08569	6.0
183.06493	2.4
193.04897	6.0
193.08600	21.2
193.12303	8.7
193.15887	50.7
196.12489	2.6
211.07726	2.9
211.09644	18.2
211.11357	3.2
211.13229	3.8
211.15027	5.1
211.16931	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.05524	0.6
53.03947	0.9
54.99025	0.5
55.05512	9.4
57.03440	1.1
57.07075	1.3
59.05000	1.9
67.05508	14.3
69.07066	2.8
70.97018	1.1
71.04996	3.2
79.05508	2.3
81.07068	8.2
83.04991	4.3
83.08639	6.5
85.06550	2.4
91.05482	3.8
93.07057	6.1
95.04976	100.0
95.08611	15.0
97.06531	1.5
99.04469	4.0
99.08100	33.7
101.06020	2.9
105.07038	2.2
107.04953	1.2
107.08603	8.0
109.06542	3.3
109.10165	33.5
111.08079	1.6
113.06028	1.4
113.09646	1.1
119.04921	3.8
119.08572	5.2
121.06493	0.8
121.10177	3.7
123.04358	0.7
123.08063	1.5
123.11713	2.8
125.09628	0.8
133.10155	5.8
135.11700	8.9
137.06024	0.9
137.09627	44.7
139.11227	0.9
144.96037	0.7
149.05989	1.5
149.13264	1.5
151.07555	1.3
151.11128	1.2
151.14804	1.5
153.12778	1.4
155.10686	29.3
167.07011	3.2
175.14857	4.5
179.07063	0.7
181.08607	1.0
193.14223	1.0
193.15897	15.4
211.09721	1.2
211.16951	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	2.1
55.01880	2.2
55.05521	14.0
57.03445	5.9
57.07081	3.3
59.05005	3.6
67.05519	19.3
69.03429	4.8
69.07076	16.8
70.88435	4.2
70.88767	2.0
71.05003	14.1
79.05513	8.9
81.03439	2.7
81.07063	30.2
83.04987	7.8
83.08627	5.7
85.06551	5.8
91.05492	9.1
93.07041	18.4
95.04982	100.0
95.08620	42.0
97.06535	3.3
97.10173	2.2
99.04460	6.6
99.08105	77.2
101.06006	2.4
101.17867	2.1
103.05470	3.5
105.07041	12.8
107.08624	24.8
109.06555	4.9
109.10173	43.7
109.10916	2.2
111.08094	2.1
113.09661	5.0
115.07569	6.2
117.07023	2.3
119.08599	28.7
119.88258	1.8
121.10170	22.0
123.04457	6.8
123.08092	5.2
123.11719	49.7
125.09638	3.8
127.07598	4.1
133.09149	2.8
133.10144	53.8
135.11720	32.5
137.06000	2.8
137.09641	52.8
137.13284	2.1
139.11148	1.8
140.85922	2.0
147.11659	4.6
149.06039	3.7
149.13278	6.5
149.86716	1.9
151.07585	3.7
151.11154	4.2
151.14812	3.9
155.10678	28.7
167.07056	27.2
175.14879	30.4
179.07045	10.8
181.08723	2.0
193.15906	28.8
201.75470	1.9
208.29837	2.1
211.09740	2.1
211.17001	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.12988	0.6
55.05516	10.6
57.07088	3.6
59.04985	2.1
67.05506	25.5
69.03434	8.3
69.07067	17.7
71.04985	3.5
71.08639	2.5
79.05499	5.2
81.07059	24.9
83.04985	9.6
83.08632	9.5
85.06532	4.1
91.05479	2.9
93.07046	12.4
94.89435	0.7
95.04976	2.8
95.08611	40.3
97.06528	1.9
97.10169	2.7
99.08090	3.6
105.07040	8.7
107.08594	24.0
109.06514	9.8
109.10159	100.0
111.08067	4.1
113.09665	1.8
119.08582	25.9
121.10146	11.0
123.08074	15.4
123.11702	9.9
125.09612	1.9
127.11232	0.9
131.08566	0.8
133.09111	1.1
133.10130	22.9
135.11697	75.2
137.09627	14.9
138.10353	1.0
139.11205	1.8
147.11668	1.6
149.13260	5.8
151.11209	11.9
151.14818	11.2
152.73277	0.7
153.12723	3.4
163.14915	0.8
165.12779	0.7
165.16409	2.4
167.07083	2.4
175.14833	27.7
179.07079	1.0
192.62131	0.7
193.15898	21.3
200.81476	0.7
204.02754	0.6
211.16954	5.8
216.64949	0.7
220.94281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05267	1.3
55.05514	14.1
57.07065	4.1
59.04992	2.0
63.06852	1.0
67.05505	27.1
69.03431	7.5
69.07066	17.2
70.92632	3.2
71.04977	4.6
79.05477	5.0
81.06588	1.6
81.07059	28.2
81.88595	1.1
82.91623	1.1
83.04983	10.8
83.08620	11.0
85.06560	5.8
91.05474	3.7
93.07047	14.0
95.04958	3.2
95.08611	48.2
97.06519	3.9
97.10154	3.2
99.08090	4.0
105.07020	9.4
107.08599	27.0
109.06529	11.0
109.10159	100.0
111.08096	15.6
113.09617	1.6
119.08585	33.0
121.10151	16.9
123.08072	25.2
123.11723	12.7
125.09628	3.1
133.10135	28.0
133.23093	1.0
135.11693	67.1
137.09619	41.3
137.13203	2.3
138.10365	4.3
139.11154	3.5
147.11703	3.4
149.13260	7.8
151.11180	8.8
151.14799	10.2
153.12769	2.6
163.11023	1.3
165.12758	3.5
165.16368	3.9
167.07030	4.4
175.14830	38.0
190.80472	1.5
193.14203	2.2
193.15883	29.2
211.16959	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.1
57.07067	4.4
59.04991	1.6
65.03937	1.0
67.05505	23.7
67.05857	0.9
69.03431	8.2
69.07067	17.0
69.54172	1.8
69.54579	4.7
71.04984	3.6
79.05508	4.1
81.07055	25.1
83.04989	8.8
83.08617	10.0
85.06528	3.9
91.05492	3.8
93.07040	10.5
95.04966	1.9
95.08604	35.2
97.06532	0.8
97.10150	3.0
98.21484	1.6
99.08068	2.7
105.07025	7.3
107.08589	24.5
109.06525	12.7
109.10154	100.0
111.08067	3.5
111.11710	1.0
113.09631	2.4
119.08577	27.2
121.10143	10.0
123.04420	1.5
123.08064	14.5
123.11707	9.8
125.09604	1.9
127.11187	1.2
133.10133	18.7
135.11688	72.4
137.09608	16.5
139.11166	2.7
147.11676	1.5
148.09695	1.2
149.13202	5.7
151.11154	8.6
151.14833	9.7
153.12776	2.4
165.16356	2.5
167.06989	1.0
174.21512	0.8
175.14822	25.6
176.39166	0.9
179.07022	1.4
189.01440	0.9
193.15887	22.2
198.66307	0.9
199.03314	0.9
211.16934	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05517	11.1
55.25784	1.4
57.03437	1.8
59.04981	2.0
67.05511	20.3
69.03417	6.3
69.07069	11.6
69.29611	9.5
69.30018	3.3
71.04996	8.3
79.05479	5.0
79.73080	1.4
81.07072	18.6
83.04981	8.8
83.08618	5.1
85.06551	5.7
91.05491	7.0
93.07052	15.6
95.04979	100.0
95.08617	33.6
97.06554	1.6
99.04433	4.0
99.08105	60.6
101.06037	2.5
103.05506	1.9
105.07044	11.7
107.08605	18.2
109.06501	5.0
109.10168	45.8
111.08076	3.8
113.09676	2.7
115.07565	3.0
119.07777	2.6
119.08575	22.2
121.10144	13.3
123.04386	2.3
123.08112	7.3
123.11720	22.0
125.09624	11.4
127.07579	2.0
131.08539	1.4
133.10144	42.8
135.11714	27.6
137.05980	3.1
137.09634	53.1
137.13123	1.7
139.11131	2.2
147.11691	2.8
149.05962	3.4
149.13271	6.5
151.11159	3.8
151.14832	2.2
153.12718	2.2
155.10683	23.2
165.16440	1.8
167.07069	19.0
175.14853	23.4
179.06976	2.9
181.08607	4.8
193.12193	2.3
193.15913	22.1
211.07755	1.5
211.09607	1.8
211.16989	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	213.1124
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.72247	0.4
53.03944	1.0
55.01876	0.6
55.05516	0.6
56.96564	0.8
65.03938	0.5
67.05517	0.7
69.03453	0.9
69.07072	0.4
69.65801	0.6
69.66213	1.9
78.04726	2.2
79.05501	7.8
81.03393	0.6
81.07068	0.7
83.04977	0.4
84.09927	0.4
85.02887	0.6
91.05487	4.4
93.03385	0.6
93.07050	1.1
95.04971	1.9
97.02930	0.6
98.97591	1.3
99.04452	0.5
102.18044	0.4
102.40329	0.4
103.05491	7.0
105.04523	0.6
105.07042	5.5
106.04200	1.7
107.04969	52.5
107.08582	3.1
109.06532	0.7
110.03670	0.7
110.97615	0.5
111.04462	0.8
115.05467	3.4
116.06219	0.5
116.98576	0.5
117.07032	1.6
119.04899	0.5
119.08581	1.1
120.05718	1.9
121.02872	1.3
121.06501	1.3
121.10179	2.0
122.03657	0.6
123.04458	4.4
123.08051	0.6
124.05244	3.1
125.06028	1.1
128.98671	0.4
131.05011	2.0
131.08585	0.6
133.06544	0.6
134.03589	0.6
135.08063	14.1
137.05988	0.8
139.03961	0.7
139.07587	0.6
145.06596	0.5
145.07619	2.1
147.04430	1.3
147.08049	0.6
148.97369	0.4
149.05978	1.2
149.09657	2.6
151.03937	1.7
151.07536	0.6
152.04672	1.7
153.01848	1.5
153.05495	0.5
154.06274	2.2
163.07564	26.9
165.05473	0.9
167.07059	100.0
177.09113	3.7
180.07832	3.3
181.08536	0.5
192.99503	0.9
195.10194	19.6
197.60031	0.4
201.06108	0.4
213.11215	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03931	0.8
55.01863	1.6
56.96562	0.9
57.03431	0.6
65.03928	0.6
67.05496	1.5
69.03424	0.7
69.07062	0.6
69.31379	3.7
71.04973	1.0
71.33294	0.5
73.02959	0.4
77.03939	0.5
78.04707	1.9
79.05496	8.3
81.03414	0.6
81.07063	2.3
83.04994	0.5
85.02930	0.5
85.06522	0.4
91.05480	4.0
93.03384	0.5
93.07056	2.4
95.04949	2.8
95.08599	2.0
96.05724	0.6
97.02882	0.5
97.06518	0.5
98.97601	3.1
103.05475	6.7
105.04562	0.6
105.07030	7.1
106.04167	1.5
107.04960	53.3
107.08597	5.6
109.02898	0.6
109.06512	1.6
109.10159	1.8
111.04459	0.4
111.08061	0.6
115.05477	3.3
116.06177	0.5
116.98623	0.7
117.07008	1.7
119.08599	1.2
120.05719	2.3
121.06545	1.0
121.10155	8.9
122.06004	0.5
122.98605	0.4
123.04430	4.7
123.08040	4.2
124.05208	2.4
125.06001	1.3
125.09622	0.7
129.07069	0.5
131.04935	1.6
131.08566	1.6
133.06519	1.3
134.03644	0.4
135.08060	15.0
137.05974	0.8
139.03908	0.6
140.07112	0.5
145.07590	1.3
147.04382	1.0
147.08034	0.6
148.97342	0.6
149.06004	0.9
149.09622	7.7
151.03926	1.5
151.11261	0.5
152.04704	2.5
153.09187	0.4
154.06277	2.5
158.99637	1.0
163.07552	27.8
165.05579	1.0
167.07043	100.0
167.10698	2.4
168.07317	0.8
169.08586	2.9
177.00845	0.5
177.09114	11.1
177.16354	0.7
180.07841	2.6
181.05803	0.6
181.08589	0.6
182.98013	0.4
192.05443	0.4
195.10178	24.2
202.07101	0.4
213.11209	10.9
213.12985	0.4
234.89099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03941	0.9
55.01871	1.4
55.05504	2.2
56.96559	1.0
57.03428	0.6
57.07079	0.7
59.04996	0.4
65.03961	0.6
67.05498	2.5
69.03429	1.3
69.07074	4.8
71.05011	2.0
71.05302	0.5
71.08611	0.4
78.04720	1.7
79.05494	8.7
81.07054	5.2
82.07375	0.4
83.04974	0.9
83.08621	3.1
85.02918	1.2
85.06548	1.1
88.07647	0.7
91.05475	4.5
93.03435	0.6
93.07056	3.2
95.04976	3.1
95.08611	6.3
97.02929	0.5
97.06546	1.2
97.10194	2.0
97.10700	0.4
98.97589	4.5
99.04448	0.4
99.08088	4.1
103.05476	7.2
105.04512	0.5
105.07033	7.2
106.04179	1.6
107.04959	53.9
107.08592	6.3
109.06544	1.2
109.10156	1.9
111.04449	0.8
111.08074	3.5
111.11758	0.6
113.09631	0.8
115.05459	3.8
116.04522	0.4
116.98648	1.1
117.07014	1.7
119.04935	0.4
119.08569	1.2
120.05738	2.2
121.06550	0.8
121.10146	8.8
122.03683	0.5
123.04433	5.6
123.08089	0.7
123.11715	0.8
124.05228	3.6
124.12059	0.5
125.05116	0.7
125.05998	1.0
125.09648	2.1
127.04018	0.4
129.07022	0.7
131.04944	1.9
131.05846	0.4
133.06482	1.0
133.10141	0.8
135.04457	0.9
135.08058	13.3
135.11693	2.7
137.06013	1.5
137.09634	0.7
137.13268	1.6
139.03882	1.0
139.11192	1.9
139.35622	0.4
141.05484	0.5
142.07733	0.7
145.07623	1.4
145.10175	0.5
147.04422	1.3
147.11696	0.6
149.06030	1.0
149.09537	0.6
149.13274	1.3
150.26096	0.4
151.03926	1.8
152.04720	2.6
152.05904	0.4
153.05481	1.3
153.08015	0.4
154.06282	1.9
157.10211	0.7
158.06660	0.4
158.99686	1.1
163.07552	27.1
165.05513	0.7
167.07048	100.0
167.12608	1.7
168.07428	0.7
177.00758	0.6
177.12949	0.7
177.16389	13.6
180.07828	4.0
180.55045	0.6
181.07474	3.0
185.09676	0.6
185.13307	0.6
195.06549	1.1
195.08333	0.9
195.10184	17.2
195.13893	0.5
195.17453	4.6
213.05777	0.5
213.07503	1.0
213.09126	1.8
213.11165	3.4
213.12891	1.7
213.16536	0.8
213.18527	2.1
225.87099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01868	1.7
55.05513	5.6
56.96568	1.2
57.03413	1.1
57.07061	1.3
65.03919	0.7
67.05496	1.4
69.03421	1.2
69.07068	2.9
69.45218	3.1
69.45561	0.5
71.04990	1.0
78.04710	2.4
79.05498	8.2
81.03413	0.6
81.07056	4.5
81.11829	0.5
83.04974	1.4
83.08620	2.9
85.02910	0.8
85.06518	1.0
88.07681	0.9
91.05484	4.6
91.58129	2.4
92.15113	0.4
93.03410	0.6
93.07040	5.0
94.04197	0.5
95.04951	2.7
95.08604	4.7
97.06495	0.6
97.10165	0.9
98.09674	0.6
98.97574	1.3
99.04431	0.5
99.08095	3.2
100.07612	0.6
100.11262	9.4
103.05464	6.9
105.07027	6.8
106.04206	1.0
107.04957	53.1
107.08595	4.9
109.06522	1.6
109.10146	1.3
111.04436	1.1
111.08068	2.3
115.05450	3.3
117.07021	1.2
119.04939	1.6
119.08563	0.6
120.05726	1.3
121.06490	1.0
121.10142	6.3
123.04441	5.7
124.05236	2.3
125.05965	1.1
125.09654	1.1
127.03925	0.6
131.04955	1.8
131.08594	0.9
133.06468	0.6
133.10146	0.5
135.04422	0.9
135.08049	14.7
135.11725	1.7
137.05917	2.4
137.13229	0.7
139.03929	0.9
139.07524	0.7
139.11191	0.6
141.11478	7.4
141.61682	0.5
145.07625	1.3
147.04398	0.8
149.05966	0.9
149.09631	5.1
149.13301	0.9
151.03894	1.1
151.07549	1.2
152.04678	1.3
153.05557	0.5
154.06238	2.3
154.12340	2.4
155.07059	1.0
155.11279	1.0
159.11774	0.5
163.07550	29.3
165.05478	0.8
167.07043	100.0
168.07394	0.7
169.07510	0.5
172.15625	0.8
177.09116	1.1
177.16408	9.8
180.07797	2.8
181.07388	0.6
182.15404	4.6
185.05855	0.6
195.06502	1.1
195.10179	20.4
195.13858	0.9
195.17421	2.1
199.18057	4.0
210.14908	0.7
213.05376	0.5
213.09094	1.7
213.11235	5.3
213.12790	0.5
213.17821	7.9
213.67834	0.5
214.08478	1.0
225.15938	0.8
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	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.63614	0.6
53.03947	0.7
53.98687	0.6
55.05512	17.2
57.03433	1.1
57.07080	8.8
62.13679	0.8
67.05511	3.7
69.03444	1.2
69.07066	4.0
69.92268	1.9
69.92675	1.4
71.05012	1.0
79.05494	2.8
81.07050	6.8
83.04984	9.0
85.06073	0.7
85.06552	6.7
87.75872	0.6
88.07625	1.5
91.05480	3.2
93.07048	12.7
95.04964	1.6
95.08611	11.8
97.06531	5.6
105.07031	4.9
107.04929	1.4
107.08598	18.4
109.06527	4.5
109.10172	3.2
111.04446	100.0
111.08082	3.8
113.06022	2.0
115.05519	0.8
117.07051	1.0
119.08582	2.2
121.06513	3.0
121.10132	3.8
122.07327	0.9
125.05996	29.1
127.07535	3.3
130.07817	0.8
133.10129	0.8
135.08069	14.6
135.11691	22.8
137.06003	0.7
137.13254	1.7
138.06761	0.7
138.86459	0.6
139.07533	5.7
143.08586	1.4
145.10120	18.0
153.12756	5.7
157.10114	1.5
163.11183	26.8
167.07079	0.9
181.12241	57.4
195.06448	0.7
195.12108	1.0
195.13818	5.1
195.17422	0.7
213.12840	1.5
213.14798	2.0
213.16542	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03942	1.0
55.01855	2.5
55.05513	7.9
55.21916	0.7
57.03419	1.1
57.07065	2.6
59.04989	0.8
67.05505	4.3
69.03436	1.6
69.06723	1.1
69.07070	14.3
70.78674	1.1
70.79015	1.4
71.04999	4.3
71.08634	0.8
79.05502	5.4
81.07058	16.0
83.08619	9.2
85.06551	4.0
91.05491	3.6
93.07050	13.2
94.06577	0.9
95.04990	1.6
95.08614	34.1
97.06500	1.4
97.10168	6.6
98.97576	2.8
99.08101	34.7
103.05483	1.0
105.07041	4.3
107.04964	7.1
107.08595	30.6
109.06526	1.3
109.10162	9.2
111.08089	17.3
111.11745	1.1
113.09644	2.9
115.41880	0.7
116.98612	1.1
119.04948	1.0
119.06050	1.1
119.08595	1.9
120.06408	0.8
121.10148	58.9
122.10394	0.6
123.08112	0.8
123.11708	1.9
125.09631	5.6
125.13412	0.9
133.10132	0.9
135.08029	2.0
135.11696	12.1
137.13252	9.1
139.11180	1.7
149.13287	4.6
153.12816	0.8
158.99591	0.9
163.07565	2.9
167.07063	12.5
177.00636	0.8
177.16396	100.0
178.16830	1.2
195.06514	0.7
195.10204	3.7
195.17462	16.1
206.12987	0.6
209.02565	0.6
213.05795	0.8
213.07556	1.0
213.09322	0.8
213.12204	2.3
213.18517	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	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05509	9.3
57.07061	2.7
62.13161	0.8
67.05500	3.7
69.03423	2.2
69.07069	15.3
69.58900	4.1
71.04974	2.2
71.27121	0.7
75.69357	0.8
79.05487	5.6
81.07055	17.4
83.08622	10.6
85.02897	0.9
85.06543	4.2
91.05463	3.1
93.07040	14.2
95.08607	36.0
97.10159	8.3
99.08093	22.8
100.11248	0.9
105.07024	2.2
107.04959	1.0
107.08594	34.5
108.66373	0.8
109.10159	9.1
111.08083	14.6
113.09638	3.0
121.10147	61.6
123.11703	2.1
125.09630	6.3
125.13251	0.8
135.11693	11.6
137.13248	8.9
139.11177	1.5
141.11467	1.4
141.57249	0.8
149.12196	0.9
149.13223	3.9
167.07030	1.6
177.16388	100.0
177.86984	0.8
195.17459	12.1
213.18510	7.8
217.93889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.31546	0.9
55.01870	3.0
55.05516	8.6
57.07101	2.4
61.53867	0.9
67.05512	3.3
69.07072	15.3
70.80756	2.7
71.05000	2.6
74.13290	1.1
79.05516	4.3
81.07069	16.9
83.08624	9.5
83.92722	0.9
85.06551	4.5
91.05482	3.2
93.07057	13.5
95.08620	36.1
97.10181	8.7
99.08105	32.1
105.07051	2.8
107.04967	2.5
107.08610	35.3
109.10160	7.3
111.08089	16.7
113.09640	2.7
121.10158	57.9
123.04444	1.0
123.11755	1.5
125.09621	6.3
135.11710	12.0
137.13260	9.8
139.11200	2.0
149.13261	4.1
163.07532	1.7
167.07068	4.5
177.16411	100.0
195.17465	15.2
213.18509	13.5
231.25043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01874	5.8
55.05270	3.0
55.05517	42.9
56.96566	1.8
57.03426	3.3
57.07072	11.1
59.04993	4.9
60.48906	1.9
61.38605	1.8
67.05511	17.2
69.03424	5.5
69.07076	100.0
69.28254	13.8
69.28658	4.3
71.04999	11.6
73.06561	2.7
74.20469	1.8
79.05502	13.9
81.07064	54.2
83.04993	10.4
83.08619	19.7
85.06071	3.0
85.06551	40.7
91.05490	4.7
93.07055	30.2
95.04952	2.2
95.08616	80.7
97.06538	6.3
97.10183	22.4
98.97593	3.2
99.08103	28.4
103.05462	4.0
105.07021	7.4
107.04972	24.9
107.07887	3.4
107.08603	53.2
109.10162	30.1
111.08079	6.9
111.11695	11.0
112.15250	2.0
113.09650	16.4
121.10154	79.6
121.11047	3.8
123.04374	2.8
123.11729	14.9
125.09631	10.9
125.13257	3.7
127.11143	2.8
135.08070	4.3
135.11708	39.7
137.12309	3.4
137.13268	38.1
139.11209	15.6
140.11928	2.1
140.12952	2.1
149.13248	12.0
150.06189	1.8
151.14832	8.2
153.12750	10.8
155.39836	1.8
163.07600	12.8
167.07069	44.3
177.16412	96.5
188.62283	1.9
195.10254	12.0
195.17503	19.5
213.07652	2.5
213.16528	2.5
213.18484	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05514	8.7
57.07063	2.6
67.05500	5.5
69.03455	1.4
69.06726	1.3
69.07071	17.0
69.94472	0.7
70.81767	1.6
71.04998	4.7
71.60394	0.7
71.90752	0.7
79.05491	4.7
80.08766	0.7
81.07057	17.4
83.08627	9.1
85.06538	4.5
91.05486	1.8
93.07047	12.9
95.08611	35.3
97.10175	7.2
99.08095	36.0
105.07031	2.7
107.04959	1.5
107.08597	34.1
109.10158	10.7
111.08098	13.7
111.11734	1.2
113.09618	3.7
113.37899	0.7
119.08572	1.0
121.10149	62.1
121.95026	0.8
123.11732	2.7
125.09648	5.3
135.11685	11.7
137.13281	9.5
139.11203	2.4
149.13264	5.0
153.12755	0.8
163.80536	0.8
167.07050	1.5
177.16389	100.0
195.10214	0.9
195.15660	0.9
195.17445	17.0
195.18991	0.7
210.61058	0.8
213.18498	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03962	0.9
53.27805	0.7
55.01873	5.7
55.05515	15.0
57.03439	2.2
57.07084	4.0
59.05002	2.3
67.05511	6.8
69.03445	7.5
69.07072	40.8
70.82526	2.3
71.04993	4.3
71.08615	1.4
79.05491	5.9
81.03425	1.1
81.07063	22.3
83.04982	3.7
83.08615	10.2
85.06533	5.7
85.10183	3.9
88.07615	2.0
91.05495	3.6
93.07050	11.4
95.04945	1.3
95.08614	24.0
97.06538	2.8
97.10166	4.9
99.08099	100.0
103.05442	1.0
105.07024	4.1
107.04955	11.1
107.08599	19.2
109.10162	9.2
110.10506	0.9
111.08084	32.5
111.11723	17.8
113.09618	1.8
117.09133	2.5
119.05025	1.0
119.08599	2.2
121.10148	27.0
121.11037	1.3
123.04486	1.4
123.11707	10.0
125.05972	0.8
125.09646	11.0
127.03899	1.2
127.11215	0.9
128.06195	0.9
129.07024	2.3
130.79808	0.9
131.08614	1.3
133.10135	2.2
135.08067	3.4
135.11694	8.2
137.13263	12.5
139.11189	7.5
142.07774	1.5
143.08507	3.9
145.10126	1.0
149.13280	4.2
151.03889	1.6
151.14911	1.3
153.12766	1.4
156.09293	1.0
157.06523	1.0
157.10110	5.1
163.07558	5.9
167.07056	19.8
167.10664	0.8
171.08109	0.9
171.11693	3.5
177.09174	1.0
177.16400	38.7
180.07951	0.9
181.04895	0.9
185.09680	2.0
185.13300	0.9
195.06555	2.4
195.10143	3.8
195.13730	1.3
195.17464	37.5
198.10602	1.0
213.05479	2.3
213.09198	4.5
213.12773	3.4
213.14514	1.0
213.16385	10.1
213.18520	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	216.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05511	4.2
56.96292	0.8
56.96563	11.4
57.03431	5.3
57.07073	0.6
58.99863	1.4
59.04982	0.9
60.95840	0.6
60.98745	0.7
61.02927	9.8
67.05518	2.9
68.05019	1.1
69.03432	7.2
69.07079	0.8
69.10546	0.7
69.58817	2.5
69.59232	1.0
70.02943	0.7
70.06592	5.9
70.98114	1.8
70.99850	0.6
71.05005	3.9
71.06932	0.9
71.95264	0.6
72.04490	0.6
72.08151	2.4
73.02917	5.7
74.09679	0.6
77.00882	0.8
77.01599	0.9
77.91128	0.5
78.99794	0.7
79.05497	2.3
80.05006	1.0
81.01897	0.7
81.03419	2.7
81.07076	2.8
82.01440	1.3
82.06565	1.0
82.99809	2.9
83.04984	6.4
84.04470	1.1
84.08141	2.2
84.96031	0.9
85.01412	1.5
85.02903	9.5
85.06548	1.2
85.08501	0.6
86.06086	1.3
86.99366	0.6
87.04459	2.0
88.07646	0.7
89.06033	1.3
91.05441	0.6
95.01321	1.4
95.04967	1.8
96.04469	1.3
96.08140	0.8
96.46414	0.6
97.02892	8.1
97.06526	0.9
98.06071	1.0
98.97587	8.2
99.04454	2.7
100.02471	4.6
100.07604	1.0
100.23503	0.6
101.00880	34.3
102.00953	3.0
102.02288	1.6
103.00626	1.8
103.02452	4.4
105.07047	1.1
106.06537	0.7
107.04950	1.3
108.04449	0.8
109.02889	0.8
109.06506	1.6
109.10141	0.7
110.06036	4.6
110.97609	2.0
111.02919	0.9
111.04453	5.5
112.07594	1.5
113.00852	1.8
113.02369	3.7
113.06027	0.8
114.05511	1.7
114.97076	0.6
115.02429	2.7
115.03919	0.9
116.02599	0.7
116.07082	0.8
116.98627	4.8
117.02103	0.7
118.03559	2.5
119.01922	100.0
120.02001	7.2
120.03273	0.7
121.00785	4.6
121.01659	4.9
121.03484	2.0
121.06528	0.8
122.06006	0.9
123.02871	0.7
124.02467	3.7
124.03854	0.8
124.07598	4.5
124.95525	1.0
126.04048	1.0
126.05525	1.0
126.09176	4.2
127.02392	2.6
127.03909	4.8
127.07590	0.7
128.98602	3.2
129.02992	0.6
129.03946	1.4
129.05527	1.7
130.03583	1.4
130.08641	0.6
131.00244	0.7
131.01894	7.5
131.02693	0.7
131.96167	2.1
132.02013	2.3
132.05072	1.6
132.95882	0.7
132.98080	1.2
133.01640	3.9
133.03453	4.5
134.03699	1.1
134.06026	1.6
134.99677	1.5
135.03174	1.8
135.04361	1.2
135.08034	1.4
137.02956	28.2
137.05859	0.7
138.03088	1.6
138.05453	2.9
138.09093	0.9
139.01767	6.9
140.07104	0.8
142.03500	34.2
142.96558	2.1
143.01918	5.1
143.03590	0.9
143.96117	3.2
144.02246	3.8
144.03346	1.2
144.05025	3.1
145.01653	1.6
145.03452	12.7
145.04776	0.7
145.05028	0.7
146.99655	1.7
147.01382	2.5
147.03230	2.1
147.04947	1.3
149.02936	2.0
149.06238	0.8
149.97273	0.8
150.01784	0.7
150.96884	0.9
150.99161	1.7
151.02669	1.7
151.04509	1.0
152.07083	6.9
153.00406	1.1
153.02040	1.2
153.04126	1.1
153.05501	1.9
154.03598	1.2
154.04910	0.7
155.01886	1.6
155.07071	3.5
156.02092	1.3
156.03265	1.3
156.05139	1.2
156.06541	1.9
156.10205	2.2
156.98088	2.3
157.03484	2.7
158.03566	1.2
158.04866	0.9
158.99712	1.1
159.05037	0.7
160.04553	11.5
160.97597	1.5
161.01477	1.1
161.02954	31.9
161.97260	2.5
162.03375	6.3
163.02675	4.1
163.04527	5.0
165.05121	1.4
166.02905	0.8
167.07014	1.9
168.05064	1.0
169.00031	0.9
169.03499	1.1
169.99896	0.8
170.01299	1.2
170.02989	4.1
170.08084	5.9
170.99852	0.9
171.01382	5.2
171.05133	0.6
172.04771	0.9
172.15297	1.0
173.02982	4.1
173.04292	0.6
173.06779	0.6
173.08066	3.7
174.03131	3.6
174.04645	1.0
174.06100	4.6
174.99150	9.4
175.02818	1.6
175.04523	6.0
176.04639	0.8
177.02454	1.2
177.04225	0.9
178.98666	0.8
179.02325	2.2
179.04007	42.5
180.06528	3.3
180.10231	0.8
181.03522	1.2
181.05037	1.1
184.03027	2.6
184.04669	4.0
185.03000	2.4
185.97255	1.6
187.00917	1.0
187.04616	1.1
188.01216	0.8
188.04337	0.9
188.07623	1.7
189.02406	5.5
191.04012	0.9
192.07359	0.7
193.00244	11.1
193.01933	1.0
193.03833	1.5
194.03015	2.6
197.03090	0.8
198.02370	0.8
198.07608	10.2
198.11296	6.7
201.06168	0.6
202.03813	3.9
202.05690	3.0
203.04051	1.4
204.03967	1.2
207.03435	1.1
211.01273	0.9
212.04092	1.3
213.06175	1.0
216.00340	0.8
216.03603	2.0
216.08765	9.7
216.10291	1.1
216.12259	16.2
216.14192	2.2
217.01961	1.5
217.06888	4.2
217.10643	4.0
221.05119	2.2
226.97191	0.6
227.03952	0.8
233.01503	0.9
235.03049	0.8
235.06702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.21576	2.0
53.54237	1.9
55.05502	8.3
62.72701	2.2
67.05495	7.2
69.07073	13.1
69.47517	4.8
69.47933	11.3
75.68034	2.1
78.11989	1.9
79.05494	3.9
80.13320	1.7
81.07056	13.3
81.93419	2.0
83.05006	4.9
83.08619	4.2
91.05473	3.5
93.07040	9.6
95.08615	42.4
100.07619	2.1
101.06024	4.3
105.07053	19.2
107.08624	18.6
109.10154	20.6
111.04430	11.3
119.08584	16.0
121.10150	19.7
123.11705	8.9
127.13112	2.4
133.10167	11.6
147.11688	17.3
155.07062	10.1
161.13251	28.5
163.46358	2.7
170.89284	2.1
173.08087	7.8
175.14827	4.8
183.09232	2.0
187.31322	1.9
189.16313	2.2
199.11485	2.6
217.10561	24.9
217.12512	4.7
217.16109	4.2
217.19524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
53.65236	0.8
55.05513	8.1
57.02603	0.7
61.69590	0.8
63.79904	1.0
67.05506	12.3
69.07066	12.9
69.76017	4.6
79.05479	4.3
81.07061	17.8
83.04959	3.3
83.08616	3.4
89.06001	0.9
91.05470	6.2
93.07046	11.5
95.08611	48.5
97.10165	1.0
98.20702	0.7
99.04487	0.8
100.22494	1.1
101.06009	1.4
105.07034	23.6
107.07868	1.5
107.08595	25.4
109.10157	34.1
111.04465	6.7
113.01480	0.7
113.05978	1.0
115.05378	0.8
119.08582	21.9
121.10146	22.2
123.11707	10.9
129.05475	1.0
131.08533	1.3
133.10126	12.9
135.11685	7.7
137.13242	1.4
147.11693	23.3
149.13254	3.1
149.28033	0.8
155.07033	8.8
159.11678	1.5
161.13260	35.7
161.14619	1.9
173.08118	6.1
175.14786	6.5
175.27193	0.9
189.16357	5.0
217.10637	6.7
217.19518	100.0
218.19739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82168	4.4
55.05504	12.1
67.05492	18.5
69.07060	12.7
79.05479	12.6
81.07044	18.6
83.05003	5.8
83.08624	9.7
91.05470	9.1
92.65485	4.3
93.07034	19.1
95.08614	34.8
100.07610	9.6
105.07027	17.0
107.08640	23.9
109.10151	42.1
111.04427	17.8
119.08566	15.1
121.10138	29.6
123.11706	12.8
133.10133	13.5
135.11731	11.9
147.11673	19.9
148.22714	4.8
155.06979	14.6
161.13292	25.6
173.08125	15.2
175.14856	5.2
217.10583	54.6
217.12518	9.4
217.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06097	0.2
57.06834	0.3
57.07077	4.5
58.06586	0.3
62.06073	0.5
69.63094	0.8
69.63526	0.8
70.06596	7.8
71.08635	3.2
71.62972	0.2
74.06115	0.3
74.41204	0.2
88.07631	13.4
102.09187	3.5
106.08671	7.6
145.86897	0.2
156.17456	0.7
169.89479	0.2
174.18526	0.8
200.20102	8.0
218.21155	100.0
219.21465	0.7
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
67.12209	26.7
70.02913	78.5
80.24633	23.7
95.95564	23.7
124.19437	27.5
142.16733	26.0
181.60971	24.9
219.02695	100.0
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
55.05501	1.5
57.03434	0.9
58.10201	0.6
67.05495	2.2
69.07040	0.9
69.19855	6.2
71.04974	1.1
79.05473	1.3
81.07045	2.2
83.90472	0.6
91.05489	9.8
93.07027	2.2
95.08622	1.1
98.20784	1.4
103.05455	2.2
105.07020	4.6
107.08589	1.9
109.10128	1.2
115.05455	6.7
116.06265	2.9
117.07026	2.9
119.08578	2.7
121.10133	1.7
128.06235	7.3
129.07007	29.9
130.07822	1.6
131.04939	5.0
131.08569	29.5
133.06468	0.6
133.10135	5.7
135.11705	0.7
137.05974	2.8
141.06990	23.1
143.04913	1.4
144.05708	4.4
145.06483	5.0
145.10124	2.5
146.07283	3.8
147.08083	1.0
147.11723	0.9
148.05212	1.0
151.03888	0.9
155.06041	1.0
156.05731	0.8
157.06491	17.5
158.07265	15.3
159.02968	1.3
159.04384	2.4
159.08061	19.8
159.11694	2.0
160.05203	4.0
160.08830	0.7
161.06015	0.9
161.09645	3.3
161.13197	1.0
162.06677	1.0
163.07571	1.2
168.05727	0.7
169.06479	11.5
169.07715	1.1
170.07254	5.5
172.05261	1.3
173.05940	2.6
173.09558	1.1
173.13309	1.0
174.06772	51.3
175.07539	16.0
176.08385	0.8
184.38452	0.6
185.05917	1.1
186.06752	12.8
187.07481	3.7
188.08318	3.2
189.09109	72.2
190.09549	0.6
191.07092	1.0
191.10672	6.1
201.09105	30.3
201.16383	1.2
203.14281	2.6
204.89218	0.6
219.10158	100.0
219.17406	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.97355	0.8
55.05537	0.7
56.96559	0.9
57.34748	0.8
66.48265	0.7
67.05511	1.3
69.03421	1.0
70.61237	2.1
70.61579	1.0
79.05453	0.8
91.05495	7.8
98.97572	2.5
103.05468	2.0
105.07030	1.8
109.06470	0.9
115.05461	6.5
116.06236	2.5
117.07032	2.3
117.23996	0.7
127.05381	0.8
128.06221	6.9
129.07018	27.5
130.07773	2.7
131.04948	4.7
131.08582	27.6
133.10155	1.1
137.05975	3.3
139.34404	0.7
141.07007	27.8
142.07794	0.9
143.04909	1.2
143.08569	2.0
144.05699	4.3
144.99541	0.8
145.06465	4.2
145.10164	0.8
146.07291	4.5
154.93295	0.8
155.94724	0.7
157.06516	18.4
158.07294	16.2
159.04451	2.0
159.08075	19.5
160.05205	4.7
161.06000	0.9
161.09618	3.9
163.07523	2.3
168.05717	1.2
169.06459	11.7
169.07642	1.2
170.07289	5.5
172.05048	0.7
173.06001	3.6
173.09631	0.9
174.06784	56.0
175.07552	12.6
180.92996	0.8
186.06783	13.7
187.07567	2.7
188.08344	2.5
189.09126	74.8
191.07074	1.7
191.10660	6.5
201.09119	33.1
203.14340	1.8
219.10179	100.0
219.17395	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	219.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98217	0.5
57.03442	1.1
67.05499	1.1
70.86993	1.4
71.04968	0.6
74.42409	0.6
78.19202	0.5
79.05582	0.5
81.07072	0.9
91.05490	8.0
93.07043	0.7
98.97594	0.9
103.05490	2.2
105.07056	2.7
107.08622	0.7
115.05443	7.0
115.29640	0.6
116.06254	2.7
117.07037	2.5
119.08604	2.1
121.10175	0.5
128.06247	6.6
129.06021	1.2
129.07018	30.2
130.07755	1.6
131.04929	5.6
131.08582	30.3
133.10153	3.2
137.05995	2.5
141.07002	27.3
141.08116	0.7
143.04849	1.0
143.08560	2.0
144.05710	4.0
145.06502	7.0
145.10141	0.9
146.07249	3.6
147.08073	0.9
147.11824	0.6
155.06053	1.0
157.06509	18.1
158.07291	17.6
159.03160	0.6
159.04446	2.8
159.08064	20.5
159.11696	1.1
160.05226	3.7
161.05988	1.1
161.09618	3.2
162.06781	0.8
163.07556	1.7
168.05728	1.2
169.06482	12.8
169.07643	1.0
170.07277	5.4
171.08044	1.5
173.06001	3.3
173.09663	1.0
173.13396	1.0
174.06787	58.6
175.07562	9.6
177.00673	0.6
177.05595	0.7
186.06783	15.4
187.07478	1.6
188.08331	3.7
189.09126	81.4
190.09653	0.9
191.07025	1.5
191.10715	6.8
201.09123	33.1
202.09598	0.8
203.14366	1.9
219.10181	100.0
219.17430	7.2
220.10527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
66.32611	0.8
69.03453	0.8
71.09070	0.8
72.81359	0.8
76.49928	0.9
81.07040	1.5
91.05473	5.2
95.08606	0.9
103.05473	1.7
105.07011	1.9
115.05463	5.8
116.06248	1.7
117.07009	2.1
119.08629	1.0
127.50881	0.9
128.06239	5.0
129.07010	23.5
130.07797	1.5
130.78593	0.8
131.04918	5.5
131.08572	25.9
133.10133	1.4
137.05972	2.1
141.06987	24.7
143.04916	1.1
144.05688	3.8
145.06447	4.2
145.10147	1.6
146.07260	3.4
157.06490	15.1
158.07285	14.8
159.04355	2.0
159.08052	18.2
160.05182	4.5
161.06007	1.0
161.09642	2.3
163.07547	1.4
165.28746	0.8
168.05688	1.3
169.06474	10.8
169.07668	1.3
170.07306	4.2
173.05998	2.7
173.09576	1.0
174.06767	53.5
175.07536	8.6
179.12987	0.9
186.06776	12.7
187.07581	1.5
188.08279	2.2
189.09113	73.3
190.09602	1.0
191.10663	6.4
201.09106	29.8
203.14285	1.3
219.10170	100.0
219.17271	4.7
220.10533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
51.85430	1.3
53.03955	2.1
55.01859	2.8
55.05499	3.1
56.96542	1.5
57.03423	3.8
67.05502	2.7
67.06168	1.4
69.03415	1.5
69.07059	3.5
70.84108	2.5
71.04992	3.8
79.05476	5.4
81.07069	12.6
91.05479	10.3
93.07049	3.5
93.44022	1.3
95.04945	2.8
95.08594	4.2
97.06534	5.6
101.76907	1.3
103.05471	33.5
105.07037	14.9
107.08582	3.6
109.06531	1.8
109.10152	3.1
115.05476	8.0
117.07027	11.3
119.04939	1.3
119.08563	6.8
121.10133	5.4
123.03570	3.1
123.04427	34.2
128.06207	6.5
129.06998	22.6
130.07832	2.3
131.04932	77.8
131.08575	14.9
133.06491	4.0
133.10136	5.2
135.04436	2.7
135.11667	1.8
137.06026	2.4
141.06996	6.6
143.04858	2.1
143.08563	5.7
144.05675	7.0
145.06496	19.2
145.10135	19.7
147.08061	4.9
148.05171	2.4
149.05986	100.0
151.07486	1.4
153.07004	3.2
155.06017	2.1
155.08572	15.5
157.06517	16.7
157.09918	1.6
158.07266	10.6
159.08087	12.8
159.11726	5.2
160.05208	30.3
161.05984	54.6
161.09604	1.9
161.13280	2.3
162.06726	4.3
163.03900	5.4
163.07536	5.3
169.06418	3.3
173.05986	6.6
173.09625	42.1
173.13272	2.3
174.06786	13.8
175.07547	64.0
175.14767	3.0
176.04863	1.9
177.05478	4.7
177.09097	13.9
183.08014	8.4
186.06738	6.8
189.09114	50.1
190.06226	5.1
191.10670	77.2
191.62315	1.4
201.09111	40.0
201.16388	3.2
203.14288	4.6
219.06700	2.9
219.10164	80.3
219.13747	4.5
219.17395	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.84187	0.7
56.96559	1.3
57.03419	0.8
67.05498	1.1
71.01309	1.0
71.08491	1.7
74.81896	0.7
75.04478	0.7
82.43885	0.7
91.05496	8.2
98.97585	4.6
103.03952	1.0
103.05456	2.9
105.07031	2.0
107.05058	0.9
107.08588	0.8
111.05798	0.7
115.05456	7.1
116.06230	1.7
116.98540	1.8
117.06997	2.7
119.08588	1.3
128.06224	7.2
128.49295	0.8
129.07014	30.5
130.07787	1.9
131.04945	5.8
131.08571	29.0
133.10078	1.6
137.05980	3.0
141.06996	28.9
143.04921	1.9
143.08566	1.2
144.05696	4.8
145.06473	5.8
146.07285	4.0
147.04388	0.9
148.05202	1.3
151.07573	1.0
153.06990	0.8
155.05998	1.6
157.06496	17.8
158.07272	16.2
158.99760	0.8
159.02934	1.3
159.04428	1.7
159.08069	23.2
160.05220	3.8
161.05907	0.8
161.09637	3.7
161.13144	0.8
163.07535	1.3
169.06491	11.1
169.07796	1.1
170.07309	5.6
171.08012	1.0
172.94289	1.4
173.05913	4.1
173.09599	1.5
174.06772	58.3
175.07483	8.9
177.08951	1.0
186.06790	15.3
187.07544	2.4
187.57372	0.8
188.08296	2.3
189.09116	78.4
190.09503	0.8
191.07039	1.9
191.10648	6.6
201.09109	31.6
203.14212	3.7
219.10165	100.0
219.17419	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	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03943	1.4
55.05506	2.5
57.07081	2.7
64.15093	0.5
65.03971	0.7
67.05505	5.0
69.07072	14.5
70.92328	1.3
71.05007	0.7
72.32271	0.5
74.77927	0.5
79.05495	3.3
81.03423	54.6
81.07067	12.0
82.04852	0.5
83.04996	0.8
83.08623	5.3
91.05476	2.2
93.07044	6.2
94.07328	0.5
95.04367	0.9
95.04974	14.1
95.08611	18.4
97.06514	2.5
97.10174	1.1
105.07028	6.7
107.04967	0.9
107.08598	8.5
109.06536	3.3
109.10169	6.3
111.08032	0.5
117.07020	2.0
119.08591	5.2
121.06544	0.7
121.10162	6.3
123.08066	4.3
123.11688	1.7
125.13291	4.6
129.36674	0.5
131.08566	4.6
133.10150	3.8
133.13469	0.5
135.08070	3.4
135.11697	5.0
137.09642	0.8
137.13255	5.8
145.10133	8.7
147.11697	1.6
149.09695	2.4
149.13264	1.6
159.11697	6.3
161.13269	3.4
163.11176	1.7
163.14806	2.2
173.13289	2.8
175.14845	4.7
191.17966	1.7
201.13057	0.5
201.16386	14.5
203.14357	2.7
218.14526	0.5
219.17455	100.0
220.17786	0.9
227.15721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(-)-Myliol
Peak:m/z	Relative Intensity
50.02584	0.9
55.05512	8.8
57.03426	1.2
57.07070	1.8
67.05185	1.2
67.05512	14.1
68.66684	1.1
69.07072	8.0
70.08280	3.4
70.08689	2.0
72.83035	1.3
73.06567	2.5
79.05498	10.8
81.07063	15.4
83.08599	3.9
87.96417	0.9
89.78690	1.0
91.05504	5.1
93.07052	17.1
95.08618	87.1
97.10157	2.3
98.20723	1.1
105.07056	11.0
107.08610	41.2
109.06526	3.6
109.10171	21.7
111.08067	2.1
112.81259	1.2
117.07039	1.8
119.08595	10.0
121.10150	16.2
123.08082	100.0
123.11697	2.7
125.09655	11.0
130.07762	1.3
131.08557	4.8
133.10120	5.8
135.08069	16.5
135.11690	10.4
137.09648	2.2
144.09279	1.1
145.10132	16.1
147.11707	28.9
148.24484	1.0
149.09656	5.3
149.13249	3.3
159.11710	13.7
161.13261	6.3
171.11755	1.6
173.13283	19.6
182.03996	1.0
191.18005	4.9
191.46553	1.5
198.01192	1.0
201.16415	40.7
215.27141	1.0
219.17462	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.2108
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
53.80410	3.9
55.05511	23.6
57.07073	10.5
60.75173	4.2
67.05518	29.5
69.07071	55.9
69.53187	21.8
78.84582	3.9
79.05518	8.6
81.07062	62.4
83.08627	11.3
88.56512	3.8
91.05495	7.2
93.07048	26.0
95.08611	85.3
97.10146	16.7
98.21480	7.5
105.07021	7.0
107.08598	55.2
109.10163	100.0
111.11730	13.5
121.10143	32.2
123.08057	11.5
123.11713	84.7
135.08002	5.1
135.11711	35.4
137.13289	13.2
147.11717	7.4
149.13280	51.1
154.35120	3.7
163.14830	43.2
169.83382	3.4
173.13278	4.4
177.16415	8.2
201.16454	5.8
203.14330	8.5
219.13943	4.8
219.17555	36.5
219.21107	66.3
224.43011	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	219.2109
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
50.30093	1.7
55.05514	23.6
57.07077	9.3
59.84829	1.7
61.43291	1.6
62.37746	1.4
66.39838	1.6
67.05180	2.8
67.05511	35.2
69.06737	2.7
69.07078	41.0
69.32113	15.1
71.08620	4.0
71.78983	1.6
74.32909	1.5
79.05493	7.9
79.95468	1.6
81.06587	2.7
81.07063	55.4
82.94203	1.9
83.08643	11.0
91.05483	3.0
93.07054	25.4
95.08617	80.1
97.10194	12.4
105.07044	3.7
107.08607	49.6
109.10169	100.0
111.11736	11.5
119.08538	1.7
121.10150	34.2
123.08065	2.7
123.11723	77.4
125.13319	2.2
135.11719	26.0
137.13271	11.2
147.11774	2.0
149.13274	44.0
163.14833	43.9
171.77925	1.9
173.06706	1.9
177.16411	6.0
194.36438	1.5
200.54787	2.1
209.74013	1.7
219.17688	3.4
219.21101	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	220.1183
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.64890	0.6
55.01878	1.6
55.05517	1.7
56.96577	5.1
57.07076	6.4
59.05013	5.8
61.02927	1.5
65.03975	0.9
67.05508	6.4
69.03436	2.3
69.07073	5.1
70.02961	6.5
70.06601	0.7
71.04116	1.6
71.04995	0.6
72.04147	1.3
72.04524	14.5
73.02580	0.7
73.02930	5.3
74.02449	1.5
75.04476	0.6
81.07035	0.7
83.04996	1.4
85.02908	1.9
85.06551	11.2
86.09716	1.8
87.04488	1.2
87.08125	1.6
90.05565	100.0
93.82674	0.6
95.04978	5.7
96.08135	1.8
97.02906	2.2
98.02426	15.1
98.06074	1.5
98.79862	0.5
98.97590	5.5
100.03989	2.8
103.03993	0.6
103.07594	7.5
108.40637	0.6
110.97609	1.5
112.07627	1.1
113.06030	3.5
116.03460	14.8
116.98648	2.2
124.07603	16.9
128.98622	1.3
130.08688	0.6
131.07040	1.1
132.10172	0.8
137.06046	0.9
140.10695	1.2
142.08653	7.8
142.52618	0.6
144.10190	0.8
146.02438	0.7
146.05992	1.4
146.99487	0.6
149.01265	0.7
150.02350	0.9
153.01842	0.8
156.10243	1.6
158.11800	5.0
158.99632	1.2
160.03270	1.9
160.09676	1.9
164.10728	0.9
166.08650	2.1
166.10828	0.6
167.46661	0.6
174.05550	1.3
174.11235	3.0
181.04930	0.7
184.09724	19.4
184.11363	0.9
187.54147	4.5
188.04352	0.9
192.02930	6.6
196.54749	5.6
202.10773	31.0
204.14618	1.9
205.15857	4.1
212.02272	1.5
220.02470	4.1
220.09843	2.6
220.11813	43.3
220.17787	7.7
220.28386	0.6
230.03372	2.0
237.75740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.07067	0.4
68.06847	0.2
71.54429	0.3
74.60378	0.2
79.05479	0.4
81.07058	0.4
88.39204	0.2
91.05476	0.4
93.07020	0.3
95.08571	0.2
98.97598	0.2
105.07014	0.6
107.08599	0.4
117.07054	0.3
118.06551	6.8
119.07285	0.4
119.08584	0.6
130.07336	0.6
131.08575	0.6
132.08061	2.1
132.08957	0.5
133.08852	0.9
133.09949	0.3
134.09662	0.4
135.08046	0.3
142.07370	0.3
145.10123	0.5
146.09604	2.3
147.10486	0.4
159.07959	0.2
160.08389	0.4
160.11142	0.4
162.06889	0.3
162.09134	4.8
164.10704	0.4
175.07210	0.7
175.14883	0.2
176.07936	0.5
176.10777	3.0
176.14352	24.4
177.09132	2.8
177.11400	1.1
187.07085	0.3
190.09531	1.2
190.12219	2.3
195.52376	0.2
202.09332	0.4
202.15977	0.6
204.14656	0.6
205.15865	1.7
220.10370	1.9
220.16962	100.0
221.08043	0.3
221.15363	0.3
221.17285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05516	0.9
56.96566	2.8
57.03432	0.9
57.07063	1.0
61.02907	1.0
64.83237	0.6
67.05495	1.4
69.03436	1.5
69.50001	3.5
71.04993	0.6
73.02902	1.5
74.02438	0.8
77.03925	0.6
81.03407	0.6
81.07037	1.4
82.02950	2.1
83.04948	0.7
85.02908	2.2
88.56512	0.5
91.05466	1.2
94.06579	3.3
95.08646	0.7
95.15960	0.5
97.02908	1.4
97.17277	0.5
98.20753	1.1
98.97592	3.7
101.00895	0.9
103.05467	1.2
107.08628	0.6
109.10181	0.7
110.97584	0.8
111.08081	0.6
115.05463	1.7
116.98602	1.4
117.07040	0.5
118.25566	0.5
119.01912	2.3
119.04971	1.1
119.08609	0.6
120.08054	1.2
121.06503	0.9
127.03931	0.9
130.06534	79.7
131.01892	0.6
131.04941	0.8
132.04459	39.4
133.06485	0.6
137.05975	1.2
137.09608	0.8
140.07323	0.5
143.01880	1.0
146.06018	0.7
147.09181	0.8
148.07547	3.5
153.03181	0.5
155.01936	0.6
156.06778	1.1
157.07626	50.0
158.06024	79.2
158.99706	0.7
159.09152	0.8
161.02898	1.6
161.05888	0.8
165.09132	0.7
173.02985	1.1
175.08682	100.0
176.04930	0.7
176.07042	2.4
176.09007	0.6
177.00908	0.5
177.09061	0.8
177.44556	0.5
185.07173	1.7
185.10063	0.6
186.05547	1.7
191.03922	1.0
193.15895	0.7
203.08180	33.2
204.06583	5.9
219.01837	0.6
221.04660	2.2
221.09235	21.1
221.12628	0.9
221.15378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03938	2.4
55.01866	2.5
55.05515	6.5
56.36813	1.1
56.96553	3.5
57.07065	3.8
65.03935	1.3
67.05500	7.6
69.03408	4.2
69.07072	8.1
69.54700	6.5
71.04972	1.1
76.92505	1.1
79.05495	10.7
80.28242	1.4
81.00972	1.0
81.03412	1.7
81.06592	1.4
81.07059	22.9
83.04953	1.8
83.08606	3.6
85.02928	1.1
85.06545	10.8
91.05482	22.6
93.07054	14.5
95.04954	3.6
95.08059	1.6
95.08609	22.8
97.02861	1.4
97.05185	1.0
97.06545	2.9
97.10130	1.6
98.20758	2.2
98.97563	3.5
99.04400	1.3
103.05466	2.0
105.03378	1.8
105.07034	100.0
107.04946	3.6
107.08591	16.7
109.06511	3.7
109.10162	12.5
111.04416	1.4
111.08081	3.9
113.06000	3.6
115.05415	2.6
116.98624	1.6
117.07026	4.4
119.04938	4.3
119.08590	19.7
121.06500	13.4
121.10136	13.2
123.08042	5.1
123.11713	5.2
125.09613	1.8
128.06219	5.1
129.06995	1.3
131.04935	1.4
131.08557	5.0
133.02890	1.4
133.06506	22.1
133.10135	72.5
134.99620	1.3
135.08067	5.2
135.11694	6.4
137.05956	1.6
137.09619	6.0
137.13268	1.4
142.07733	1.2
143.04919	1.4
143.08582	9.5
145.06454	1.4
145.10088	4.2
146.07283	5.9
147.04398	2.2
147.08026	4.5
147.11687	14.2
149.02348	1.5
149.05946	1.4
151.03900	2.2
151.07544	5.2
151.11122	2.2
157.10204	1.3
158.53207	1.2
159.08167	1.2
159.11699	2.3
161.05981	7.2
161.09624	89.2
161.13239	7.7
163.07462	1.5
163.14795	3.2
165.05602	1.5
165.09061	3.4
165.12721	2.0
171.08144	1.9
175.02748	1.2
175.07559	6.2
175.11214	2.4
175.14850	9.8
177.09109	12.6
177.12798	1.2
177.16382	4.9
179.10628	1.5
185.13135	1.5
189.09105	17.4
193.08640	2.6
193.12241	5.8
193.15926	1.7
203.07098	2.1
203.10646	2.9
203.14372	5.2
203.17972	12.5
206.10791	1.8
221.04402	8.1
221.08191	5.4
221.11781	12.0
221.15366	13.5
221.18942	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	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
61.38882	0.1
67.05495	0.2
68.68085	0.1
69.03416	0.2
69.07068	0.2
69.28329	0.2
69.28736	1.0
71.04984	0.2
72.63141	0.1
79.05489	0.3
81.02100	0.1
81.07053	0.6
83.04922	0.2
89.99268	0.1
91.05478	0.8
91.84706	0.1
93.07050	0.5
95.08591	0.4
97.57169	0.1
98.97545	0.2
105.07015	0.5
107.08530	0.3
109.06482	0.2
109.10140	0.3
115.05453	1.0
116.06224	0.5
117.07019	3.9
117.07839	0.2
119.04879	0.2
119.08582	0.8
121.06481	0.3
123.08064	0.2
128.06226	0.8
128.30234	0.1
131.04843	0.2
131.08537	0.2
133.06494	0.7
133.10100	0.4
134.07289	0.8
135.08043	0.7
135.11693	0.4
137.09567	0.1
143.08551	1.0
144.05698	0.4
145.06485	0.8
147.04343	0.2
147.08031	0.4
147.11684	0.3
149.09615	0.2
160.05133	0.3
161.05984	0.7
161.13286	0.3
162.06757	4.4
163.11206	0.1
171.08052	0.6
175.07564	2.3
175.11282	0.2
175.14833	0.3
177.09105	100.0
178.09503	0.6
193.08598	0.2
203.10666	0.5
203.14359	0.2
203.17987	0.2
221.04404	0.2
221.09752	0.3
221.11725	0.9
221.15334	0.4
221.17307	1.3
221.19160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44244	0.1
53.03962	0.1
55.01875	0.2
55.05494	0.5
56.96558	0.3
57.07075	0.3
65.03916	0.2
66.65969	0.1
67.05499	0.3
69.03423	0.3
69.07056	0.4
69.56737	0.7
71.04984	0.2
71.84467	0.1
74.50639	0.1
79.05502	0.6
81.07069	1.3
82.64428	0.1
83.04977	0.3
83.08627	0.2
85.06512	0.1
91.05471	1.2
93.07035	0.9
93.99029	0.1
95.04961	0.3
95.08605	1.0
98.20830	0.3
98.97576	0.3
103.05472	0.2
105.07036	1.4
106.07792	0.1
107.04937	0.1
107.08614	1.1
109.06503	0.3
109.10133	0.4
111.08099	0.4
115.05458	1.1
116.06235	0.4
117.07018	4.0
119.04933	0.2
119.08587	1.4
121.06494	0.5
121.10133	0.7
123.08048	0.3
123.11676	0.2
128.06230	1.2
129.07008	0.3
131.04932	0.3
131.08589	0.3
132.95850	0.2
133.06525	0.8
133.10130	1.1
134.07303	0.8
135.08084	0.9
135.11719	0.4
137.05959	0.3
137.09596	0.3
143.05072	0.1
143.08566	1.3
144.05699	0.5
145.06491	0.8
145.10110	0.3
147.04408	0.4
147.08078	0.4
147.11678	0.6
149.02303	0.1
149.05994	0.5
149.09605	0.4
151.03926	0.3
151.07498	0.2
155.06035	0.2
159.08081	0.2
159.11714	0.1
160.05202	0.5
161.06015	1.1
161.09610	0.5
161.13243	0.6
162.06773	5.2
162.08141	0.2
163.11133	0.3
165.05449	0.2
165.06972	0.2
170.07339	0.1
170.10942	0.1
171.08063	1.0
175.02806	0.3
175.06044	0.2
175.07555	3.4
175.09016	0.2
175.11218	0.4
175.14882	0.7
175.16132	0.1
177.09109	100.0
178.09454	0.5
185.13266	0.3
188.08331	0.1
189.05498	0.2
189.09108	0.2
191.06979	0.1
191.10669	0.3
193.03807	0.1
193.08636	0.2
193.15869	0.2
203.07045	0.3
203.10738	0.9
203.14304	0.8
203.17990	0.3
221.04433	0.4
221.08032	0.4
221.11859	1.2
221.15364	1.3
221.17245	0.3
221.18990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01861	6.1
55.05507	23.0
56.96561	1.8
57.07074	6.5
59.04985	2.3
61.76935	1.4
65.03924	1.5
67.05181	1.4
67.05507	19.4
69.03427	48.7
69.06796	1.2
69.07072	13.0
69.57050	2.8
69.57462	5.7
70.04061	5.8
71.04971	4.6
72.63824	1.1
79.05074	2.1
79.05495	28.4
79.79760	1.2
81.03406	1.5
81.07058	55.5
83.04980	30.8
83.08603	8.1
85.06553	2.8
91.05470	15.6
93.07042	17.1
94.08875	1.3
95.04963	12.3
95.08605	23.8
97.02869	2.5
97.06511	4.8
97.10153	1.7
98.21458	3.0
98.97561	2.8
99.04453	2.6
99.08051	1.5
105.07032	25.8
107.04958	8.8
107.08598	19.4
109.06515	22.2
109.10155	30.1
110.07276	3.9
111.04444	1.3
111.08079	19.5
112.99039	1.4
115.05444	2.4
117.07028	6.3
119.04972	2.0
119.08582	40.7
120.08954	1.6
121.06480	5.9
121.10143	26.2
122.07250	3.5
123.08073	24.3
123.11691	4.2
125.09615	5.2
128.06294	2.6
129.07011	3.6
131.08553	4.6
132.05714	1.3
133.02840	1.4
133.06506	3.6
133.09244	1.9
133.10138	21.2
135.08020	5.7
135.11728	8.7
137.05977	37.9
137.09615	32.8
138.10388	5.3
139.11156	5.6
142.07765	1.9
143.08542	7.1
145.10130	7.1
146.07257	1.8
147.04486	1.6
147.08035	14.8
147.11720	9.2
149.02341	7.9
149.09599	4.7
151.07562	14.6
151.11169	3.0
153.09126	2.2
157.10110	2.7
159.11688	5.3
160.12495	1.3
161.05971	8.1
161.09601	10.2
161.13258	14.1
162.06770	2.8
163.11171	19.9
165.06952	1.6
165.09113	6.3
165.12791	1.7
170.10966	1.6
171.08043	1.7
174.06702	2.2
175.07581	7.2
175.08914	1.5
175.11206	3.4
175.14818	11.1
177.05499	1.6
177.09120	31.0
177.12688	3.3
179.07091	1.6
179.10605	2.8
179.14293	3.3
185.13274	4.1
188.08438	2.6
189.09042	1.8
192.15067	2.6
193.08586	2.1
193.15881	15.1
203.10654	11.0
203.14326	8.1
203.17863	1.5
206.05743	1.3
221.04456	4.1
221.08087	4.3
221.11697	7.1
221.15347	100.0
222.12465	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	221.1536
Annotation	Glutinosone
Peak:m/z	Relative Intensity
53.03934	2.8
55.01864	7.6
55.05508	18.4
56.96542	1.8
57.03414	1.7
57.07087	6.1
65.03922	1.3
67.05505	16.8
69.03428	40.2
69.07059	9.1
70.53404	1.0
71.04958	2.3
71.54411	2.6
73.00716	1.1
79.05059	1.9
79.05486	22.8
80.45191	1.1
81.06592	2.7
81.07053	45.0
83.04979	23.1
83.08621	6.8
85.06526	2.9
89.78288	1.1
90.66280	1.1
91.05469	11.5
93.07038	15.2
94.27079	1.1
95.04950	7.6
95.08614	19.7
97.06516	4.1
97.10141	2.7
98.97556	3.5
99.08073	1.3
103.05444	3.3
105.06303	1.3
105.07029	25.0
105.86684	1.2
107.04957	7.0
107.08582	18.8
108.05721	1.2
109.06509	23.1
109.10159	24.0
110.07309	2.6
111.04487	2.1
111.08082	17.3
114.04655	1.3
115.05450	6.0
117.07025	7.9
119.04921	1.6
119.07802	2.0
119.08580	28.5
121.06503	4.4
121.10134	22.4
122.07278	3.5
123.04437	1.6
123.08060	19.4
123.11692	5.2
125.09604	2.8
128.06203	3.8
130.06447	1.4
131.04929	3.9
131.08560	3.5
132.05635	2.1
133.06490	10.4
133.10141	14.6
135.08055	6.2
135.11676	12.2
137.01506	1.2
137.05974	32.1
137.08542	1.3
137.09602	23.6
138.10373	3.8
139.11163	4.0
139.32819	1.1
143.04916	2.3
143.08527	5.6
145.06462	2.5
145.10124	6.2
147.08080	7.7
147.11626	6.3
149.05963	1.5
149.09612	4.5
149.13237	1.6
151.07535	12.3
151.11150	3.3
157.10095	2.1
158.99605	1.2
159.11687	3.8
160.05206	1.4
161.05962	15.0
161.09619	5.1
161.13242	10.1
162.06750	3.9
163.07501	1.9
163.11180	15.1
165.09126	5.5
171.08066	4.8
173.06001	1.9
173.24225	1.2
175.03905	1.6
175.07530	10.6
175.11134	2.9
175.14821	9.5
177.09108	100.0
177.12521	2.8
179.10666	1.3
179.14290	1.5
185.13272	3.2
188.04614	1.5
188.08331	2.5
189.05447	6.2
189.09105	1.7
191.07082	1.5
191.14265	1.2
192.15091	2.9
193.08577	6.8
193.15909	13.1
203.06955	2.0
203.10672	10.0
203.14319	7.7
203.17949	2.3
221.04422	3.6
221.06163	1.9
221.08113	9.9
221.11694	6.4
221.15347	80.8
221.18864	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	221.1537
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03931	2.9
55.01861	6.1
55.05507	23.0
56.96561	1.8
57.07074	6.5
59.04985	2.3
61.76935	1.4
65.03924	1.5
67.05181	1.4
67.05507	19.4
69.03427	48.7
69.06796	1.2
69.07072	13.0
69.57050	2.8
69.57462	5.7
70.04061	5.8
71.04971	4.6
72.63824	1.1
79.05074	2.1
79.05495	28.4
79.79760	1.2
81.03406	1.5
81.07058	55.5
83.04980	30.8
83.08603	8.1
85.06553	2.8
91.05470	15.6
93.07042	17.1
94.08875	1.3
95.04963	12.3
95.08605	23.8
97.02869	2.5
97.06511	4.8
97.10153	1.7
98.21458	3.0
98.97561	2.8
99.04453	2.6
99.08051	1.5
105.07032	25.8
107.04958	8.8
107.08598	19.4
109.06515	22.2
109.10155	30.1
110.07276	3.9
111.04444	1.3
111.08079	19.5
112.99039	1.4
115.05444	2.4
117.07028	6.3
119.04972	2.0
119.08582	40.7
120.08954	1.6
121.06480	5.9
121.10143	26.2
122.07250	3.5
123.08073	24.3
123.11691	4.2
125.09615	5.2
128.06294	2.6
129.07011	3.6
131.08553	4.6
132.05714	1.3
133.02840	1.4
133.06506	3.6
133.09244	1.9
133.10138	21.2
135.08020	5.7
135.11728	8.7
137.05977	37.9
137.09615	32.8
138.10388	5.3
139.11156	5.6
142.07765	1.9
143.08542	7.1
145.10130	7.1
146.07257	1.8
147.04486	1.6
147.08035	14.8
147.11720	9.2
149.02341	7.9
149.09599	4.7
151.07562	14.6
151.11169	3.0
153.09126	2.2
157.10110	2.7
159.11688	5.3
160.12495	1.3
161.05971	8.1
161.09601	10.2
161.13258	14.1
162.06770	2.8
163.11171	19.9
165.06952	1.6
165.09113	6.3
165.12791	1.7
170.10966	1.6
171.08043	1.7
174.06702	2.2
175.07581	7.2
175.08914	1.5
175.11206	3.4
175.14818	11.1
177.05499	1.6
177.09120	31.0
177.12688	3.3
179.07091	1.6
179.10605	2.8
179.14293	3.3
185.13274	4.1
188.08438	2.6
189.09042	1.8
192.15067	2.6
193.08586	2.1
193.15881	15.1
203.10654	11.0
203.14326	8.1
203.17863	1.5
206.05743	1.3
221.04456	4.1
221.08087	4.3
221.11697	7.1
221.15347	100.0
222.12465	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.60837	1.1
53.03922	1.4
55.01867	1.7
55.05510	7.1
55.56508	1.1
56.96559	2.3
57.07053	4.3
63.79340	1.4
67.05500	10.9
69.03406	1.4
69.07075	12.0
69.48324	9.8
71.04992	27.3
73.06548	2.0
79.05490	20.0
81.07056	100.0
83.04967	1.6
83.08612	2.5
84.51699	1.4
88.99036	1.3
91.05469	12.5
93.07044	43.0
95.04951	1.7
95.08058	2.2
95.08608	28.3
97.06493	3.1
98.97555	3.0
99.08071	4.4
100.00104	1.4
105.07031	43.7
107.08595	55.4
109.06515	2.9
109.10162	24.0
111.08089	1.9
111.11724	1.8
113.09624	2.7
117.07001	3.0
119.08581	74.6
121.10143	8.4
123.08044	2.5
123.11708	16.6
127.11176	13.7
131.08527	2.3
133.10123	25.6
135.11690	92.1
137.09654	1.7
141.12616	1.6
145.10109	2.3
147.11687	27.6
149.13280	10.1
157.10187	1.7
161.05986	1.5
161.09557	2.6
161.13272	10.5
161.59866	1.6
163.11168	1.4
163.14798	3.3
165.01891	2.0
174.06754	1.6
175.07550	2.7
175.11255	1.8
175.13474	1.2
175.14764	7.6
177.09154	11.4
177.16351	2.8
188.08307	4.7
193.08592	3.4
193.15891	1.8
203.10690	10.1
203.14252	2.6
203.17957	43.2
221.04309	3.4
221.08063	3.4
221.11899	9.8
221.15599	7.9
221.18993	47.4
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	Helianthol A
Peak:m/z	Relative Intensity
53.03937	2.6
55.05508	7.3
57.07069	1.6
67.05500	6.8
69.07073	12.9
71.04993	25.3
71.09493	2.0
71.09834	3.0
74.31706	1.3
75.85331	1.4
79.05494	17.1
80.01897	1.6
81.07054	100.0
83.08601	2.3
84.90851	1.4
91.05474	9.3
93.07043	41.2
95.04963	1.4
95.08598	23.0
97.06512	3.4
97.10146	3.2
98.97575	2.3
99.08072	5.4
105.07027	37.7
107.08593	43.3
109.06532	2.6
109.10162	29.6
117.07029	3.1
119.08580	76.0
121.10167	8.0
123.08031	1.6
123.11707	9.7
127.11196	13.9
133.10129	19.3
135.11691	82.1
137.09627	1.7
147.11667	23.6
149.13240	9.2
161.05959	2.5
161.13219	7.7
163.14885	3.2
165.01675	1.9
175.14792	5.5
177.09084	6.2
177.16333	1.7
203.14398	2.3
203.17953	34.3
221.07964	2.0
221.15416	4.6
221.18999	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00293	1.1
53.03956	1.9
53.80865	0.7
55.05511	6.8
56.96563	1.2
57.07066	3.5
65.03928	1.7
65.88582	0.8
67.05514	7.0
69.07072	9.3
70.65614	1.8
71.04999	13.7
79.05492	17.5
81.07061	67.5
82.88873	0.9
83.04980	1.7
83.08633	4.5
84.96043	2.0
85.02898	1.3
85.06538	1.4
91.05479	10.6
93.07051	35.7
95.04964	1.2
95.08611	21.8
97.06516	1.4
97.10152	1.1
98.97587	3.0
99.08099	3.7
105.07034	22.9
107.08598	56.8
109.06525	3.0
109.10159	16.8
111.08072	2.0
113.09680	0.9
116.66946	1.0
117.07016	2.6
117.14494	0.7
119.08591	40.2
121.06501	0.9
121.10140	7.6
121.19780	0.7
123.08067	2.3
123.11718	14.1
125.09659	1.1
127.11167	6.0
131.04955	1.4
131.08551	1.3
133.06483	1.7
133.10146	23.9
135.08087	1.6
135.11697	100.0
137.09628	3.0
137.13268	2.5
139.11157	0.8
145.10124	2.8
147.11694	18.3
149.13242	5.4
151.11241	1.3
153.12726	0.9
157.10153	1.4
159.11652	1.5
161.06003	3.3
161.09660	1.2
161.13263	8.7
163.14845	1.9
165.12816	1.2
175.07576	2.7
175.14827	5.2
177.05492	1.2
177.09143	6.6
177.16417	2.1
189.05583	1.1
193.08601	1.5
203.14482	1.4
203.17963	29.2
213.04442	1.1
221.04474	2.3
221.08090	2.1
221.11688	1.6
221.15723	4.1
221.19026	29.0
221.22073	2.1
231.73531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30892	0.4
53.03956	0.6
55.05515	25.4
56.96566	0.9
58.99591	1.4
59.66145	0.3
60.38408	0.4
69.91585	1.6
76.02222	0.6
81.07064	0.3
83.08624	43.0
86.99058	1.9
91.05501	0.4
98.97591	2.4
101.09665	8.1
103.05477	0.7
105.00102	3.4
105.07045	0.4
106.06565	0.6
110.97575	0.4
115.05454	0.4
116.98611	0.8
118.06557	0.8
119.07391	0.3
120.08114	11.6
122.02745	1.1
130.06535	89.1
131.04910	0.4
131.06804	0.4
132.04462	16.5
146.06003	0.7
148.07581	28.2
152.98376	0.3
158.06026	32.7
163.07492	0.4
176.07080	100.0
177.07414	0.7
204.06535	0.6
205.08949	11.7
210.06151	0.5
222.04173	0.4
222.07628	10.2
222.11205	2.5
223.17709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
69.92394	1.5
80.97353	0.4
81.73286	0.3
82.85422	0.4
88.11526	0.4
92.52978	0.4
92.54655	0.4
98.97594	2.8
100.36281	0.4
103.05455	0.9
105.07072	0.5
106.06591	0.4
109.05770	0.4
118.06548	0.6
120.08105	10.5
130.06528	98.1
131.06963	0.5
132.04457	15.3
146.05995	0.6
148.07579	29.4
158.06021	32.4
158.99646	0.7
176.07074	100.0
177.07462	0.6
177.09073	0.8
178.09451	4.9
204.06537	2.4
213.07838	0.6
222.07603	9.8
222.12392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05513	56.5
55.27213	0.3
56.96569	0.7
58.99583	3.7
67.42925	0.4
69.52489	2.2
73.11025	0.4
76.02227	1.4
83.08621	100.0
85.02881	0.4
86.99054	4.7
88.03968	0.4
98.60510	0.4
98.97578	2.5
101.09661	17.6
103.05489	0.9
105.00094	7.7
106.06523	0.4
116.98634	0.7
118.06518	0.5
120.08104	6.8
122.02740	1.2
125.07166	0.4
130.06532	59.6
131.04877	0.5
132.04448	9.3
148.06374	0.7
148.07581	17.4
158.06018	19.6
159.08371	1.3
162.06340	0.6
176.07072	63.4
187.07852	0.8
204.06570	0.9
204.10179	0.4
205.08939	20.8
218.08443	0.4
222.07646	5.9
222.11414	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	222.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26390	0.2
59.26483	0.2
65.81104	0.2
67.05508	0.5
69.07081	0.5
69.77924	1.2
79.05497	0.5
81.07063	1.2
82.07401	0.7
86.06086	0.3
91.05484	2.3
93.07047	0.9
95.08582	0.5
96.08955	0.2
98.97585	1.8
103.05447	0.3
105.07034	1.9
106.07364	0.5
107.08607	1.3
108.08952	0.5
109.10163	0.6
113.20719	0.3
116.98578	1.1
117.07040	0.8
119.08590	8.9
120.08113	0.3
120.08914	0.4
121.06532	0.6
121.10161	1.0
122.07294	0.3
122.10547	0.4
130.06586	0.2
130.99860	0.2
131.04922	0.4
131.08568	0.4
133.06552	0.4
133.10143	3.0
134.10887	0.7
134.99680	0.6
135.08061	4.0
135.11670	0.7
136.08824	0.4
136.12036	0.5
137.06056	0.2
137.09628	10.1
144.09315	0.5
147.09196	1.5
148.12030	0.3
149.02365	0.4
149.05942	0.4
149.09633	1.3
149.13263	4.0
158.01314	0.9
159.11722	0.5
161.09627	4.1
162.10303	0.3
176.06990	0.6
176.15186	0.8
177.12758	100.0
178.09505	0.3
178.13110	0.4
204.18309	0.5
205.12442	0.3
222.11267	1.4
222.18541	27.5
223.16751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03933	2.6
54.35342	1.7
55.01863	2.4
55.05266	1.6
55.05513	15.5
56.96549	4.9
57.03428	4.1
57.07063	4.0
59.05000	2.3
62.80726	1.4
65.03947	1.5
67.05496	15.5
69.03432	7.6
69.07075	18.3
69.31556	4.6
69.31969	9.0
71.04999	3.3
77.01788	1.6
79.05495	17.9
81.03406	3.5
81.07062	49.9
81.62098	1.5
83.04965	6.0
83.08627	12.6
85.02901	2.4
85.06532	4.4
91.05482	12.2
93.07047	32.8
95.04955	6.9
95.08609	67.1
96.92348	1.8
97.02884	2.3
97.06501	8.5
97.10158	3.8
98.97575	5.0
99.04437	2.1
99.08089	2.8
99.97884	1.9
105.07037	16.5
107.04957	3.6
107.08601	70.1
109.02880	2.3
109.05800	2.4
109.06517	36.3
109.10156	23.8
111.08080	10.1
111.11753	1.7
111.57011	1.5
116.98649	1.9
117.07001	4.6
117.98921	1.7
119.08578	15.6
121.06509	17.8
121.10146	57.7
123.08042	14.2
123.11685	4.8
125.05983	2.4
125.09628	3.8
127.07541	6.2
131.08559	7.1
133.10130	8.3
134.99678	2.0
135.08063	47.1
135.11679	16.5
137.09663	7.8
137.13222	3.9
139.07600	9.7
139.11099	2.9
145.06540	1.9
145.10115	20.5
147.11681	11.0
149.02361	18.6
149.09608	13.8
149.13283	9.2
153.09074	3.3
157.10103	2.3
158.31918	1.6
158.99638	3.2
159.11703	7.4
161.13217	6.0
163.07501	2.0
163.11179	12.8
163.14836	14.5
165.09091	1.9
167.04794	2.4
167.06993	2.5
172.12529	1.8
177.00728	3.8
177.12743	5.7
177.16394	69.3
178.07944	1.6
181.12164	2.7
184.49152	1.7
187.11270	1.9
187.14851	22.8
195.08215	1.9
205.12198	5.0
205.15889	100.0
214.12421	2.0
223.04156	1.6
223.05865	7.6
223.09541	3.1
223.11566	3.2
223.13524	13.7
223.16930	82.6
223.20369	3.2
225.04314	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68148	2.2
55.05529	3.8
56.96553	5.2
57.03434	9.6
61.02925	4.7
67.05510	5.3
69.03422	12.4
69.07085	3.0
69.51236	18.1
73.02924	19.7
79.05487	3.3
81.03416	7.0
82.99856	8.1
83.04992	3.3
85.02914	19.8
97.02919	15.4
98.97602	7.7
101.00896	60.9
102.02322	2.9
119.01938	100.0
119.02806	5.0
121.10174	2.3
124.02486	7.5
127.03848	3.5
131.01921	5.0
133.01701	7.0
137.02969	13.5
142.03514	60.3
143.01906	11.2
145.03435	5.2
153.03944	5.9
155.01924	8.8
156.03255	6.5
157.03522	5.5
160.04588	11.0
161.02963	49.3
173.02982	5.5
174.03030	3.2
179.02409	3.3
179.03998	39.4
182.99760	4.7
183.04068	3.5
183.55167	9.7
184.02727	5.0
184.04579	6.1
185.02962	7.4
186.03152	4.2
192.55656	19.8
193.05525	14.6
201.00719	3.3
201.56154	4.0
202.03775	6.7
202.05821	10.5
203.04018	5.7
221.05069	6.2
227.04021	2.5
245.05067	8.3
246.05301	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81062	2.0
70.16832	9.9
74.15501	2.1
79.23604	2.3
80.13739	2.2
82.99862	6.7
101.00882	63.1
107.08660	2.8
119.01923	100.0
124.02460	10.8
136.42519	2.2
137.02957	16.7
142.03500	67.2
143.01950	2.9
147.68800	2.3
158.99928	3.0
160.04584	10.4
161.02954	41.8
161.49782	3.2
167.40833	2.9
177.00923	17.0
179.04025	38.0
184.04570	7.4
188.00764	2.3
190.49515	2.8
197.90390	2.1
199.49991	2.3
202.05629	3.8
217.04051	3.2
219.02000	20.5
234.78053	2.3
243.02084	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01877	4.2
55.05497	6.7
58.66874	2.1
59.04984	6.4
67.05515	16.2
69.03435	15.1
69.07072	12.5
69.29814	19.6
71.04980	9.7
75.23700	2.2
79.05476	8.3
81.07061	19.3
83.04984	40.6
83.08605	3.3
85.02898	7.2
85.06533	8.4
87.04479	2.7
91.05445	10.2
93.07025	9.6
94.08092	2.5
95.04954	13.0
95.08601	22.0
97.06512	8.1
98.21536	4.1
99.04451	4.5
99.08096	13.6
101.06009	10.1
105.07041	24.4
107.07878	4.5
107.08601	83.8
109.06512	42.3
109.10172	22.4
111.04459	19.1
111.08086	7.5
113.06055	2.7
119.04964	2.4
119.08592	13.6
121.06510	3.3
121.10145	34.0
122.07269	6.8
123.08073	100.0
123.08962	5.4
123.11684	6.7
125.09625	13.1
127.07542	8.5
131.08589	3.1
132.17259	2.4
133.06497	4.7
133.07780	2.0
133.10117	6.7
135.07974	3.6
135.11682	6.1
137.09615	53.1
137.13229	6.9
139.11136	6.2
141.09091	5.6
143.08585	2.2
145.10103	9.4
147.07996	4.1
147.11693	12.8
149.09656	14.5
151.07523	6.9
151.11192	62.5
156.09366	4.4
161.09558	4.1
161.13297	16.9
163.03946	2.6
163.11180	24.7
165.09105	10.1
165.12750	7.6
167.06982	2.8
167.10657	12.5
169.08636	6.0
171.11699	6.8
179.14267	9.2
181.12144	3.0
189.12755	19.0
207.06471	3.0
207.13814	73.9
225.14833	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01851	1.4
55.05500	5.8
57.03442	8.6
57.07080	2.1
60.79353	1.4
67.05499	8.7
68.41816	1.2
68.93364	1.2
69.03419	7.7
69.07054	3.2
69.52734	9.4
71.04996	10.5
71.44405	1.2
79.05483	6.4
81.07063	29.1
83.04984	30.9
83.08611	1.5
85.02930	1.5
85.06539	2.6
91.05453	6.2
93.07054	7.7
95.04974	4.3
95.08614	51.4
97.06541	15.9
99.04447	6.2
99.08095	22.3
105.06527	1.2
105.07052	15.4
107.04940	1.9
107.08000	1.0
107.08617	9.4
109.06526	32.4
109.10159	2.9
111.04445	31.9
111.08076	2.8
113.06023	3.0
113.09531	1.2
119.04923	3.6
119.08567	4.9
121.06547	1.7
121.10125	8.3
121.13792	1.4
123.08074	100.0
123.11710	3.0
125.09615	9.3
127.07552	6.6
133.06479	5.6
135.08038	3.3
135.11647	1.7
137.09595	5.4
137.13245	2.9
141.09109	88.1
145.10162	2.8
147.04420	2.2
147.11682	6.4
149.09621	21.2
151.07549	32.6
151.11148	5.7
151.77663	1.3
155.10701	3.1
161.13255	5.1
163.11192	3.0
165.09100	1.4
165.12730	8.2
167.10658	2.9
169.08627	8.4
171.06772	1.3
175.03891	2.3
179.14246	4.4
185.16374	1.4
189.05562	1.3
189.12747	9.7
207.06555	4.5
207.13814	19.0
225.14861	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05519	14.4
57.03445	3.4
57.07084	3.9
59.05008	4.0
65.03954	2.6
67.05515	14.7
67.37664	2.5
69.03432	17.9
69.07072	15.8
69.19374	22.2
71.04990	8.5
75.07477	2.6
75.74577	2.8
79.05504	14.6
81.07066	25.3
83.04988	73.3
83.08615	7.0
85.02924	4.6
85.06554	5.8
87.04464	2.7
91.05471	15.8
93.07043	16.4
95.04965	9.4
95.08634	20.0
97.06548	10.0
99.08108	16.6
101.06050	14.5
105.07050	27.6
107.04988	4.8
107.08605	100.0
109.06529	69.7
109.10178	23.1
111.04462	20.5
111.08078	3.7
118.29784	2.5
119.04944	3.4
119.08599	22.0
121.06538	4.1
121.10160	29.5
122.07373	5.3
123.08076	94.2
123.11754	7.6
125.09643	13.8
127.07578	7.8
131.08592	4.8
133.10126	7.1
133.73517	2.3
135.08049	3.8
135.11746	6.2
137.09622	40.8
139.11215	4.8
141.09123	9.2
145.10144	11.1
147.08086	4.9
147.11662	17.4
149.09624	22.4
151.07547	10.1
151.11191	60.3
156.09285	4.1
161.09569	3.5
161.13281	19.4
163.11214	23.0
165.12782	15.7
167.10637	12.3
169.08664	4.0
171.11725	6.2
174.10501	3.1
175.03961	3.1
179.14352	8.4
186.90364	2.7
189.12733	25.5
207.13820	83.5
225.14842	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03943	0.9
55.05498	2.4
57.03461	1.6
67.05508	3.9
69.03423	1.7
71.04633	1.5
71.04995	1.4
74.49416	0.7
79.05482	3.1
81.07082	5.9
83.04984	36.8
85.02889	1.7
85.06552	5.4
87.04460	0.9
91.05476	2.8
93.07043	3.0
95.04973	3.5
95.08614	7.6
97.06519	2.4
99.04408	0.8
99.08095	11.7
105.07044	3.5
107.04964	1.1
107.08607	8.3
109.06520	36.1
109.10173	1.9
111.04446	16.1
111.08055	1.4
113.06032	0.8
117.06979	0.8
119.08578	4.2
121.06516	3.9
121.10155	7.8
123.08070	100.0
123.11672	1.7
125.09628	8.5
127.07555	4.0
133.10135	1.2
135.08060	1.2
135.11694	1.0
137.09593	1.9
137.13228	0.8
141.09108	2.1
145.10159	1.2
147.11708	3.7
149.09631	9.1
151.07549	3.3
151.11134	2.1
154.97812	0.8
161.13260	1.9
163.11171	3.3
165.12759	7.3
167.10672	8.9
169.08632	2.2
171.11673	1.4
181.12234	2.4
189.12791	2.9
207.13783	14.0
213.03743	0.7
225.09222	0.8
225.14870	14.9
225.16945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.92018	2.7
55.01865	3.4
55.05515	16.1
57.03423	4.7
59.04982	8.9
65.46386	3.1
67.05495	26.2
69.03426	26.9
69.07060	16.7
70.87483	9.3
71.05007	25.0
79.05505	19.6
81.07069	33.3
83.04986	36.2
83.08610	8.6
85.02529	3.4
85.02917	40.9
85.06538	11.1
91.05472	22.8
93.07066	28.5
95.04982	19.1
95.08608	78.9
97.06538	24.1
98.97540	4.0
99.04453	21.1
99.08077	13.9
101.06021	9.4
105.07034	32.0
107.04924	8.0
107.08599	60.7
109.06520	30.7
109.10162	35.8
111.04447	10.2
111.08075	10.1
113.05989	7.5
119.04980	8.2
119.08601	35.6
121.06512	18.6
121.10148	48.4
123.04496	8.2
123.08079	100.0
123.11714	21.6
125.05991	11.1
125.09637	8.7
127.07529	6.0
131.08536	6.9
133.06514	7.3
133.10133	12.1
135.08063	4.3
135.11693	12.6
137.09636	54.3
137.13237	4.2
139.07596	7.9
139.11237	7.8
140.26505	3.7
141.09114	60.7
145.10117	15.9
147.04388	4.1
147.08052	5.3
147.11670	13.4
149.05957	3.1
149.09608	39.4
151.07556	26.6
151.11169	40.1
153.09114	5.4
153.12755	3.5
155.10654	9.2
159.11659	4.5
160.79001	3.4
161.09618	5.5
161.13261	30.1
163.11189	30.9
165.09172	4.6
165.12785	14.0
167.10690	18.8
169.08521	8.3
171.11761	7.0
175.03949	5.9
179.07048	6.2
179.14314	18.7
181.12257	15.4
183.10146	5.1
183.13776	4.5
189.09129	4.4
189.12747	23.9
207.06451	4.4
207.13832	84.4
225.11307	4.1
225.14848	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Corchoionol C
Peak:m/z	Relative Intensity
53.03948	4.7
55.01863	0.8
55.05510	5.9
57.03438	12.5
57.07082	1.3
59.04992	1.2
63.08656	0.6
64.96283	0.7
65.03932	0.8
66.79093	0.7
67.05517	3.8
69.03436	4.5
69.07060	2.4
70.04078	2.8
70.78905	1.9
71.04990	8.1
75.93668	0.6
79.05500	4.0
81.03419	100.0
81.07056	9.7
83.04988	6.4
83.08615	1.1
85.02907	51.4
85.06549	1.2
91.05486	3.4
93.07067	3.2
95.04976	2.5
95.08611	11.0
97.06523	1.6
97.10168	3.5
99.04456	7.7
99.08086	5.0
105.07026	6.0
107.08601	8.7
109.06522	7.6
109.10164	2.9
110.10485	0.9
111.04450	1.6
111.08068	2.5
115.07569	2.1
117.57680	0.7
119.04917	1.6
119.08589	6.9
121.06464	1.0
121.10148	5.7
123.08072	39.4
123.11656	4.1
125.09633	23.1
127.11173	4.4
130.40668	0.6
131.08611	1.9
133.10150	2.6
135.08047	7.4
135.11688	1.6
137.05946	0.9
137.09633	3.4
141.09129	9.1
145.10109	1.8
147.04384	1.0
147.08116	1.1
147.11711	8.5
149.09613	4.7
149.57695	0.7
151.07555	4.2
152.08321	1.1
153.09102	10.7
153.12683	0.7
161.09616	0.9
161.13283	4.2
163.11165	3.4
165.09122	1.7
165.12766	2.3
167.10706	1.6
169.08554	3.6
171.11641	1.0
175.03961	1.2
177.12694	1.0
179.10684	1.6
179.14323	2.6
180.04192	0.8
189.12773	5.0
194.13022	2.9
195.13811	2.6
207.06554	1.5
207.13803	37.5
225.07420	0.8
225.10280	1.8
225.14845	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03959	2.4
55.05507	6.4
57.03421	2.4
57.07070	2.0
59.05005	11.7
66.73364	1.2
67.05505	9.4
69.03439	11.2
69.07057	10.0
69.58784	1.5
71.04990	3.3
73.01501	1.3
74.24706	1.3
77.03927	1.6
79.05087	1.5
79.05491	11.1
81.03400	1.6
81.06657	1.4
81.07068	17.9
82.61874	1.2
83.04979	17.6
83.08606	3.6
85.02913	2.7
85.06528	1.9
87.04476	10.1
91.05488	13.5
93.07052	37.6
95.04940	6.9
95.08051	1.7
95.08610	20.0
97.06532	7.5
97.10184	1.4
99.04423	2.1
99.08081	4.8
101.05991	2.8
105.07036	29.7
107.04931	1.9
107.08598	38.0
109.06522	20.7
109.10155	8.8
111.04436	6.6
111.08075	5.9
113.06013	2.0
115.07582	1.9
117.07029	2.9
119.08585	18.1
121.06506	3.2
121.10136	10.8
123.08067	32.7
123.11709	5.4
125.09613	3.8
127.07587	2.0
129.07002	2.2
131.08580	2.9
133.06493	3.5
133.10127	7.8
133.76193	1.5
135.08003	1.8
137.05991	2.9
137.09583	6.4
139.11200	6.4
141.09088	4.8
143.08554	2.7
145.10071	3.8
147.04401	1.6
147.08020	4.8
147.11719	15.5
149.09613	10.8
151.07559	5.3
151.11186	100.0
156.09308	4.0
159.11668	4.7
161.09596	5.1
161.13292	18.1
163.11183	3.3
165.12767	4.8
167.10699	3.0
169.08583	2.5
171.11673	6.7
174.10344	2.4
177.12692	4.0
179.14282	3.6
181.12161	1.7
189.12758	21.4
204.08871	1.3
207.13817	88.0
225.14833	21.3
229.03827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18050	2.0
55.01867	8.8
55.05510	4.2
56.96568	16.8
57.03441	25.0
58.99868	4.2
59.05005	2.9
60.79280	1.9
61.02931	100.0
65.03949	3.0
67.01859	2.8
67.05508	6.5
68.98285	4.3
69.03432	39.0
69.07074	2.7
70.06586	5.2
70.99844	6.1
71.01337	2.1
71.04984	8.4
71.53375	2.3
72.98510	1.8
73.01443	2.3
73.02917	30.3
75.04482	2.0
77.00909	3.9
81.01041	1.9
81.03432	14.6
81.07029	2.2
82.01437	2.7
82.99853	7.3
83.04976	7.8
84.04530	8.5
84.08126	3.8
84.96033	2.6
85.01394	5.0
85.02907	53.7
85.06549	3.2
86.99342	2.2
87.00814	2.3
87.04474	2.1
89.00875	2.6
91.02438	2.2
91.05476	2.9
93.07047	2.6
95.01315	5.1
95.04978	9.6
97.01406	4.1
97.02894	34.1
98.97589	40.4
99.04449	9.4
100.00101	2.1
100.02503	5.6
101.00885	49.9
101.01560	3.2
101.02353	3.1
102.00974	8.2
103.00650	22.8
103.01300	2.9
103.02424	5.2
103.05425	2.8
106.04156	1.8
107.04970	2.0
107.08559	2.2
108.04192	2.8
109.01376	2.9
109.02892	14.4
110.01292	6.2
110.02088	2.6
110.97576	10.6
111.02927	3.3
111.04440	3.4
113.00899	15.1
113.02376	29.2
115.00649	3.1
115.02424	14.6
116.01276	2.9
116.03950	2.0
116.07080	4.8
116.98614	14.1
117.01991	1.6
117.03979	8.8
119.01910	72.2
120.02028	6.3
121.01673	48.7
121.02885	7.8
121.06509	3.9
123.04454	4.3
124.01866	4.1
124.99045	2.1
125.00871	2.4
126.02179	3.1
126.98791	7.4
127.02477	9.2
127.03920	20.0
128.02321	19.5
128.98619	8.7
129.00346	2.0
129.02036	4.1
129.03978	6.9
131.01898	23.3
131.02719	2.9
131.04504	3.5
132.02179	2.3
132.84515	1.9
133.01660	5.5
133.02512	3.2
133.03293	10.5
133.04254	8.2
135.05055	6.6
136.07645	2.6
137.00827	3.9
137.01872	2.0
137.02916	10.0
137.04501	2.0
137.05905	4.1
139.02571	11.9
139.03906	3.4
140.00214	2.2
140.03284	2.5
140.05009	44.1
140.55125	3.2
141.02139	1.9
141.03938	2.5
142.02798	8.7
143.00162	4.3
143.01883	26.9
143.03615	3.2
144.02168	3.0
144.03253	26.6
144.98141	2.3
144.99808	12.2
145.01634	6.2
145.03461	31.6
145.05011	4.4
146.02351	4.3
146.03889	2.5
146.04979	16.5
146.99644	3.4
147.01392	5.2
147.03152	5.3
147.05074	12.6
148.02943	4.6
149.02892	4.4
149.05833	5.5
151.55754	4.0
153.01927	11.9
153.04071	2.5
153.05504	1.9
154.98245	2.0
155.01802	10.6
155.02954	4.1
155.05539	11.5
155.06830	2.2
156.02061	3.8
156.03426	2.8
157.01563	4.1
157.03467	22.5
158.01299	4.9
158.03575	3.1
158.99648	7.8
159.01372	6.0
159.04982	5.3
161.01134	2.1
161.01613	3.2
161.02921	28.2
162.03058	8.8
162.04381	3.9
163.00887	1.9
163.02731	13.9
163.04454	4.4
165.06200	2.1
167.01813	12.4
167.07024	30.9
168.99820	6.8
169.03506	14.0
169.04829	2.7
170.00015	2.1
170.01544	3.9
170.99696	5.1
171.01416	14.0
171.05025	8.6
172.99333	7.7
173.01282	3.1
173.02930	19.6
173.06505	2.0
174.03197	6.1
175.00980	2.2
175.02730	7.4
175.04529	9.4
176.03484	2.6
176.04781	2.3
177.00868	3.7
177.02457	12.2
177.05473	8.5
181.03699	22.3
181.05101	5.4
182.99649	4.5
183.01276	2.0
183.05054	4.1
184.04759	2.0
185.01358	2.4
185.02982	39.3
186.03046	4.3
186.89832	1.9
186.99376	3.0
187.00897	10.9
187.02756	5.2
187.04503	16.5
188.03314	6.0
189.00694	9.8
189.02499	9.4
189.06033	3.0
190.02550	2.4
191.00383	2.8
191.04015	6.5
196.00964	5.9
197.02077	3.4
197.04118	5.5
199.01102	2.2
199.04651	5.0
200.04243	2.5
201.00761	4.9
201.02440	5.3
201.06097	4.1
203.02325	3.6
203.04039	20.6
204.04179	7.6
205.01912	7.8
205.03738	2.8
206.02626	21.1
206.04456	7.2
209.02974	4.1
209.04799	2.5
209.07962	3.3
213.02480	4.5
213.06081	4.1
215.00375	6.2
215.03911	8.4
215.53404	2.8
217.00189	3.7
218.03432	3.3
218.05363	4.5
219.01678	3.9
219.03519	5.1
221.04987	10.3
222.02893	2.0
222.05296	7.7
223.04794	3.7
227.00395	3.8
227.04005	19.3
227.05852	6.2
227.10312	6.4
227.13818	2.6
231.03595	4.3
237.02766	6.8
245.05003	15.0
247.02942	4.6
247.06821	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.32349	0.8
53.03920	2.7
55.01884	5.8
55.02098	1.6
55.05516	12.1
56.96541	1.4
57.03432	1.5
57.07058	1.8
59.04995	1.0
65.03909	1.2
67.05515	13.4
69.03403	3.7
69.07071	11.4
69.17415	6.5
69.17821	2.8
71.04974	4.1
73.02891	2.7
77.03915	1.1
78.04707	3.0
79.05075	1.2
79.05494	19.8
81.03400	3.2
81.07063	19.2
83.04981	5.1
83.08220	0.9
83.08624	11.3
85.02896	1.1
85.06534	2.7
89.03905	1.1
91.05483	14.4
93.07049	35.5
95.04988	8.2
95.08612	35.2
97.02859	3.5
97.06503	4.1
97.10150	3.5
98.97587	2.2
99.04456	5.7
100.11272	13.0
103.05479	7.1
105.04482	1.3
105.07035	7.1
106.04148	1.7
107.04966	10.3
107.08599	23.1
109.06509	3.5
109.10167	6.9
111.04416	2.2
111.08052	2.3
113.96379	1.0
117.07019	6.6
119.04924	1.4
119.08599	8.2
119.75222	0.9
121.05798	1.1
121.06528	14.3
121.10146	16.8
122.03614	1.3
123.04426	7.4
123.08051	2.1
123.11726	1.5
124.05178	2.4
125.05949	3.4
125.09616	5.4
130.07753	1.3
131.04929	4.3
131.08549	2.8
133.10123	4.6
134.03618	2.3
135.04437	2.0
135.08023	3.2
135.11699	37.6
137.05988	8.6
137.09570	1.2
139.07521	2.0
140.04665	3.6
142.07718	1.3
143.08545	1.9
145.09047	1.5
145.10138	20.7
147.04352	1.0
147.11635	1.0
148.05153	2.6
149.05991	12.1
149.09596	2.2
149.13251	2.0
151.11151	3.2
152.04671	1.5
153.09143	2.4
153.12762	1.8
155.06969	4.3
157.10098	2.9
159.04376	2.4
163.03932	1.1
163.11192	48.8
163.14847	3.1
167.07053	100.0
171.11664	2.3
173.09706	1.0
173.13217	2.8
177.05487	28.5
178.06224	1.0
181.04912	2.3
181.06418	1.0
181.08563	1.7
181.12231	10.6
185.09570	1.0
185.13177	1.8
191.06935	1.3
191.10771	1.1
191.14352	4.2
195.06561	1.6
209.08087	10.1
209.09976	1.2
209.11589	1.7
209.13481	1.3
209.15291	3.4
209.16777	1.2
227.06898	3.2
227.09076	2.9
227.12747	68.0
227.17793	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	227.1645
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03937	2.4
55.01863	1.6
55.05508	4.5
57.03439	2.8
59.04998	1.7
63.62752	1.2
67.05505	6.2
67.29131	1.1
69.03421	2.0
69.07065	4.7
71.05002	15.5
71.44879	2.2
73.95604	1.2
79.02250	1.2
79.05497	4.6
81.03420	5.4
81.07081	6.4
83.04970	4.0
83.08613	2.7
85.02895	2.6
85.06544	3.7
91.05505	4.2
93.07058	7.9
95.04984	100.0
95.08613	8.2
97.06550	11.5
97.10177	1.6
98.97600	1.8
99.04470	52.4
99.08106	3.1
100.11254	3.0
105.07047	6.4
107.04936	1.4
107.08588	10.5
109.06542	7.3
109.10181	9.2
111.08107	3.7
115.06801	1.6
115.07585	15.4
119.08591	4.1
121.06512	3.6
121.10163	10.7
123.08102	3.2
123.11717	5.7
123.17783	1.2
125.09637	4.8
127.07562	1.9
127.11136	1.4
131.04826	1.6
131.08603	2.4
133.10155	20.5
135.08008	2.8
135.11757	2.5
137.05971	1.5
137.09662	1.8
139.11137	3.0
145.10069	1.4
149.05968	2.2
149.09642	2.6
149.13257	4.8
151.11185	7.8
153.09122	38.2
159.62138	1.2
163.11191	2.1
163.14851	4.9
167.07050	18.0
169.12202	2.6
173.13306	12.1
177.05487	5.0
191.14343	16.0
204.62288	1.1
209.08101	3.7
209.13483	1.9
209.15404	36.9
222.39241	1.6
227.10782	2.8
227.12778	3.5
227.16399	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	227.1645
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03944	3.3
55.05519	8.7
57.03437	2.7
57.07078	1.8
59.05008	1.9
63.64433	0.9
65.03928	1.2
65.18355	1.0
67.05513	6.0
69.03438	5.6
69.07081	10.9
71.04996	14.9
71.72710	0.9
73.02925	1.9
78.04707	3.1
79.05082	1.2
79.05488	6.7
81.03435	1.9
81.07069	11.4
82.78384	1.1
83.04996	8.1
83.08608	5.5
85.02901	1.4
85.06547	6.1
91.05492	8.9
93.07053	14.2
95.04980	76.7
95.08089	1.3
95.08613	8.8
97.06552	9.4
97.10168	3.5
98.97607	4.2
99.04467	38.6
99.08093	8.9
100.11257	7.0
100.38815	1.0
103.05489	6.6
104.29996	1.0
105.07064	6.4
106.04163	1.3
107.04953	3.8
107.08602	14.9
109.06514	5.3
109.10164	12.7
111.08094	3.8
113.06040	1.1
113.09658	1.6
115.07587	13.4
117.03412	1.5
117.07034	1.9
119.04956	1.7
119.08591	4.3
121.06531	11.6
121.10152	11.3
122.03685	1.6
123.04440	5.7
123.08049	2.6
123.11737	4.9
124.05211	2.5
125.06024	1.3
125.09644	13.5
127.07551	2.1
127.11189	1.5
129.06992	1.0
131.04910	4.5
131.08559	2.1
133.10150	20.2
134.03632	2.5
135.04269	1.0
135.08084	5.8
135.11707	4.0
137.06003	7.9
137.09616	2.6
137.13275	1.5
139.07584	1.7
139.11174	3.7
140.04688	3.7
143.08595	1.2
145.10133	2.4
147.04405	1.6
147.11647	2.9
148.05199	2.3
149.05995	15.6
149.09608	4.9
149.13248	5.2
151.11200	7.6
152.04721	1.8
153.09119	36.7
153.12756	2.1
155.07050	2.6
158.10933	1.7
158.99640	1.4
159.04453	3.8
163.03847	1.3
163.11156	2.7
163.14853	5.5
165.12752	2.2
167.07059	100.0
171.10243	1.3
173.13280	10.2
177.05484	26.0
181.05028	1.3
181.12262	2.1
183.11995	1.1
191.07104	1.2
191.10658	1.2
191.14337	15.1
194.05736	1.8
195.07739	1.7
197.07939	1.1
209.08118	10.6
209.15363	39.0
227.07071	1.8
227.09088	2.8
227.12755	4.0
227.16217	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71834	1.0
55.05513	8.3
56.96566	3.5
57.03439	1.2
57.07096	2.4
59.04990	2.5
63.19158	1.1
67.05515	5.6
69.03433	27.2
69.07059	4.5
70.97569	1.5
71.04996	3.2
79.05486	4.7
81.07041	5.5
81.20204	1.2
83.04990	11.6
83.08631	5.1
85.06549	8.5
91.05490	2.7
93.07047	9.4
95.04990	2.5
95.08624	7.1
97.06541	1.8
97.10172	6.1
98.97598	1.4
99.04482	2.0
99.08101	4.6
105.07038	3.3
107.04934	1.4
107.08611	18.6
109.06526	3.6
109.10166	7.5
111.04490	1.8
111.08094	6.4
113.06010	2.6
119.08571	1.7
121.06535	2.3
121.10158	9.9
123.04422	3.1
123.08106	1.7
123.11699	3.0
125.09641	100.0
131.08588	6.9
133.10135	4.0
135.08038	5.6
135.11725	2.7
137.09645	3.3
139.03912	4.4
139.07536	3.2
139.11227	1.3
140.04675	1.5
145.10133	2.0
147.11694	3.1
149.09631	25.1
149.13277	5.0
151.03917	5.3
151.11203	11.3
153.09109	18.2
154.10002	1.5
160.99080	1.7
163.11255	1.5
163.14769	5.2
167.07077	3.1
167.10690	3.3
173.13258	4.6
177.05475	2.0
179.00174	4.0
181.05000	2.2
183.03105	6.9
183.53287	1.3
191.10689	4.6
191.14310	13.5
192.03624	1.4
194.53963	1.8
197.01242	2.6
209.11897	2.4
209.15364	34.8
227.02361	1.3
227.12791	1.8
227.16328	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03949	3.1
53.18090	1.8
55.01883	4.2
55.05515	13.3
57.03439	19.5
57.07063	4.4
59.05005	5.6
67.05513	14.7
69.03439	14.3
69.07079	20.0
69.19500	19.7
70.42100	2.4
71.04999	18.5
75.04474	6.8
79.05495	8.5
81.07063	22.4
83.04996	17.3
83.08610	7.8
85.06532	6.3
91.05487	7.3
93.07052	20.3
95.04986	28.7
95.08614	28.5
97.06538	18.8
97.10168	4.2
99.04472	9.1
99.08092	4.2
100.11263	3.0
105.07024	12.3
107.04934	2.9
107.08606	71.4
109.06525	16.5
109.10172	60.6
111.08115	11.9
115.07574	19.7
117.19884	2.0
119.08602	9.0
121.06504	8.2
121.10155	76.9
122.07306	2.7
123.08076	6.2
123.11752	15.4
125.09628	18.7
129.09152	4.0
129.23425	2.0
131.08600	11.1
133.10144	33.3
135.08066	14.2
135.11732	12.4
137.09637	30.0
137.12300	2.0
137.13275	4.1
139.11172	15.5
143.10654	2.6
145.10092	4.5
147.11693	11.6
149.09633	8.8
149.13274	39.2
151.11201	100.0
153.09113	13.5
153.12737	3.1
158.10921	5.7
163.14830	23.9
165.12740	3.1
167.07082	11.6
167.14374	3.3
169.12274	11.0
173.13274	30.1
174.60808	2.0
177.05411	3.1
178.09445	2.0
191.12685	4.7
191.14333	70.3
191.16090	3.5
209.08063	3.7
209.15343	28.5
227.16380	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	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.17723	0.9
55.05518	6.8
57.07076	1.2
58.65365	0.8
59.05013	1.0
67.05505	2.1
69.03437	28.9
69.07082	3.9
70.64983	1.9
71.04999	1.0
79.05497	2.5
81.07076	4.6
83.00681	0.9
83.04993	14.0
83.08617	5.3
83.37212	0.9
85.06554	2.3
91.05489	2.1
93.07052	6.6
95.04941	1.0
95.08614	6.2
97.06538	1.6
97.10202	4.9
99.08107	4.8
105.07030	1.7
107.08603	17.6
109.06547	3.4
109.10178	8.9
111.08088	5.8
113.06053	1.9
119.08606	1.2
121.10155	9.8
123.08098	1.8
123.11722	1.5
125.09645	100.0
127.07573	0.8
131.08597	1.8
133.10178	4.5
135.08063	5.7
135.11739	2.0
137.09627	2.3
139.07555	2.4
139.11232	1.5
145.10205	1.0
147.11705	2.0
149.09639	29.0
149.13280	4.6
151.11212	13.4
153.09131	17.5
154.09903	3.7
163.14851	6.0
173.13271	4.0
181.15933	1.4
191.14326	14.3
209.15393	36.6
227.16466	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05511	13.2
57.03445	20.8
57.07074	9.3
59.05002	10.0
67.05506	23.3
69.03434	23.8
69.07071	18.3
70.64320	5.9
70.64668	3.8
71.05006	16.7
75.04495	3.1
79.05497	13.0
81.07063	27.9
83.04984	19.9
83.08624	10.1
85.06536	4.7
86.29247	2.8
91.05486	15.3
93.07050	22.5
95.04945	5.1
95.08612	28.7
97.06525	10.6
97.10152	2.5
99.08109	4.7
103.05485	2.7
105.07034	18.7
107.08598	98.8
109.06516	15.2
109.10163	72.1
111.08083	17.6
117.07037	3.6
119.08591	8.4
121.06534	7.7
121.10152	88.7
122.07303	5.6
123.08064	10.2
123.11684	15.5
125.09615	19.5
125.17260	2.6
131.08545	12.0
133.10158	22.8
135.08038	20.7
135.11668	13.2
137.09628	38.4
139.07596	2.4
139.11206	16.8
143.01953	3.2
143.10672	5.0
145.10143	7.1
147.06711	2.6
147.11696	18.0
149.09660	14.0
149.12180	4.7
149.13275	50.9
151.11192	98.1
153.09119	8.6
153.12764	5.9
158.10941	4.4
160.21445	2.5
163.14839	27.4
165.12764	10.8
169.12234	7.9
171.28311	2.5
173.13269	40.7
183.13820	10.7
190.73331	2.3
191.14308	100.0
209.15353	27.7
227.16431	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03951	0.8
55.05522	4.6
57.03443	4.5
57.07074	2.6
59.05010	1.7
59.47953	0.8
67.05520	4.3
69.03449	5.7
69.07073	5.6
70.07297	3.9
71.04990	6.1
75.04477	2.0
79.05512	4.6
80.33566	0.9
81.03476	1.0
81.07075	8.2
83.05003	4.9
83.08614	3.2
85.06543	3.0
89.06028	0.9
91.05505	4.4
93.07064	10.5
95.04993	11.4
95.08131	1.1
95.08636	9.3
97.06541	5.6
99.04448	1.5
99.08105	3.4
105.07046	15.7
106.07787	0.9
107.07890	1.2
107.08614	21.1
109.06541	5.6
109.10177	17.0
111.08075	5.1
113.09686	1.0
119.08617	8.1
121.10162	100.0
122.07304	1.2
123.08085	3.5
123.11729	5.3
125.09634	7.6
127.07561	1.8
129.09155	1.7
131.08588	5.0
133.07663	1.8
133.10149	11.1
135.08037	5.6
135.10231	0.8
135.11714	8.4
137.09645	12.3
137.13306	1.1
139.11221	8.4
145.10126	2.2
147.11726	8.5
149.09616	2.2
149.13300	10.5
151.11205	25.8
153.09132	5.1
153.12819	1.5
158.10890	1.6
163.14870	7.8
165.12747	1.6
167.07031	2.7
169.12263	3.5
171.10184	2.1
173.13287	16.5
191.14337	29.0
209.15346	11.0
227.16411	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05523	12.2
57.03444	23.4
57.07063	5.8
57.51255	1.9
59.04995	6.4
67.05515	15.1
69.03436	16.6
69.06796	1.8
69.07081	22.1
71.05015	13.7
71.07217	3.2
75.04457	4.3
76.01594	2.0
79.05484	7.4
81.07062	25.3
83.05000	21.0
83.08621	9.4
85.06527	6.5
91.05482	8.5
93.07050	22.5
95.04961	10.0
95.08621	24.9
97.06538	7.4
97.10166	5.6
98.97582	2.2
99.04451	4.1
99.08098	3.9
100.11272	2.2
105.06374	2.4
105.07032	17.0
107.08606	76.9
109.06530	17.6
109.10167	64.0
111.04472	1.9
111.08079	9.6
115.07555	2.4
119.08590	11.9
119.74084	1.9
121.06528	4.8
121.10159	67.9
122.07290	4.7
123.08095	12.5
123.11718	13.4
125.09602	18.9
129.09105	2.2
131.08574	11.2
133.10149	20.8
135.08075	12.0
135.11714	16.9
137.09645	31.7
139.11177	7.1
143.10684	3.1
143.48094	2.0
145.10117	7.0
147.11662	10.5
149.09669	10.3
149.13283	30.4
151.11205	79.0
153.09157	11.1
153.12756	3.5
158.10912	5.8
158.99722	2.2
163.14818	37.8
165.12881	3.6
169.12267	23.0
173.13277	40.8
191.14328	100.0
207.09691	4.0
209.15346	20.5
227.16389	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.09045	2.6
53.03939	2.8
55.01870	4.4
55.05517	19.3
56.96557	2.6
57.03448	12.7
57.07066	6.8
59.04993	7.9
60.61232	2.3
64.24113	2.1
65.03941	2.2
67.05507	19.2
69.03429	39.2
69.07062	26.2
69.29097	22.1
71.04995	65.3
73.82311	2.0
75.04496	3.1
79.05499	23.3
81.03424	2.7
81.07063	39.2
83.04988	20.1
83.08594	12.4
85.02917	4.1
85.06539	13.0
89.06041	13.5
91.05461	15.0
93.07049	43.0
95.04974	84.7
95.08611	38.2
97.06536	17.6
97.10149	12.3
99.04456	81.4
99.08088	19.3
100.11250	7.3
102.75384	2.8
103.05484	3.6
105.07021	24.7
107.04968	4.5
107.08598	66.2
109.06538	20.3
109.10173	37.3
111.08074	14.0
113.09650	7.0
115.07574	7.0
117.07001	3.8
119.08594	17.3
121.02885	6.0
121.06529	11.3
121.09323	4.5
121.10156	85.9
123.04482	3.7
123.08044	12.2
123.11697	20.9
125.09635	53.8
127.07569	7.7
131.04892	3.5
131.08563	9.3
133.10135	37.4
135.08064	17.2
135.11682	13.9
137.05966	3.8
137.09628	10.6
139.11183	100.0
140.04677	3.6
141.05498	2.7
143.10664	8.1
145.10155	6.5
146.04979	4.3
147.11696	16.0
148.05167	2.5
148.34265	2.4
149.05957	5.3
149.09654	16.0
149.13295	19.7
151.11189	36.6
153.09111	33.4
153.12766	2.7
158.10939	5.5
163.11168	3.7
163.14836	19.3
165.12749	10.4
167.07047	45.0
167.10733	3.6
167.14336	3.4
169.12334	12.1
171.10158	13.0
173.13258	27.8
176.47606	2.4
177.05478	12.4
177.19687	2.3
179.14362	2.4
181.04965	2.6
183.13809	10.8
191.14339	47.3
195.06514	2.6
209.08138	12.2
209.15340	53.5
227.10796	4.2
227.16399	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	227.1644
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03946	2.5
55.01854	3.1
55.05304	1.0
55.05510	10.5
56.96575	14.7
57.03443	6.0
57.07058	4.9
57.07331	1.4
59.04977	3.8
61.02905	1.3
63.10186	1.2
65.03934	2.6
67.05513	9.5
69.03433	9.1
69.07081	15.1
69.57943	5.8
71.04667	1.5
71.04997	18.7
71.08617	2.0
72.93774	2.3
73.02926	10.8
73.06525	1.3
73.33928	1.5
75.04464	1.7
79.05500	9.4
80.26019	1.2
81.03397	3.6
81.06657	1.6
81.07066	17.8
83.04961	5.0
83.08629	7.7
84.96035	2.1
85.02881	4.0
85.06549	6.8
91.05487	11.6
93.07046	20.6
95.04974	100.0
95.08614	13.5
97.02866	3.6
97.06538	23.8
97.10138	4.8
98.97592	13.6
99.03937	1.3
99.04464	14.6
99.07500	1.7
99.08103	25.5
100.11257	6.4
101.00850	1.4
102.76679	1.2
103.05448	3.0
105.06517	1.1
105.07043	12.8
106.04186	2.9
106.96491	1.4
107.04936	3.9
107.08607	24.4
109.02880	2.2
109.06531	22.2
109.09586	1.2
109.10169	12.6
110.96941	1.5
110.97576	15.4
111.04440	6.6
111.08069	5.5
112.99111	1.5
113.05974	1.8
113.09624	3.0
113.96395	3.9
115.03944	1.6
115.07567	25.8
116.98627	6.9
119.01907	3.1
119.08590	8.0
121.01652	2.2
121.02843	2.7
121.06480	5.6
121.09353	1.2
121.10157	17.9
123.04408	2.9
123.08037	3.2
123.11694	5.4
124.05151	1.3
124.99139	1.3
125.05949	3.5
125.09624	8.1
127.03934	1.9
127.07568	13.7
128.06216	1.4
128.98613	15.3
131.04926	2.4
131.08534	5.6
131.97427	3.0
133.06500	2.2
133.09120	2.2
133.10133	35.9
134.99687	2.6
135.04417	1.5
135.08060	9.3
135.11713	6.6
137.02287	5.4
137.05951	4.8
137.09599	4.4
139.03893	3.0
139.11169	11.9
140.04675	1.2
141.05495	1.4
143.00159	2.8
143.01888	1.9
143.10655	3.4
144.98091	1.6
145.01758	1.3
145.10109	4.9
145.38422	1.2
146.99652	6.0
147.11739	6.3
148.05219	1.8
149.05963	5.7
149.09605	4.9
149.13283	10.1
151.11252	8.1
153.05479	2.8
153.07936	2.1
153.09131	36.9
155.00177	1.5
155.03357	2.9
155.07004	2.0
156.02444	1.6
156.04074	2.2
158.10892	2.1
158.99605	3.8
159.04346	1.8
161.01221	3.0
161.02893	1.8
161.05913	3.0
163.02739	1.6
163.03972	2.1
163.11156	2.7
163.14864	7.4
165.03029	5.2
165.12749	4.2
167.07056	32.8
169.04991	6.2
169.12315	1.4
170.05800	1.5
170.99680	1.7
171.06528	10.8
171.10176	11.0
173.01221	2.3
173.13278	17.1
174.03593	6.9
177.00600	1.4
177.04103	1.7
177.05476	9.4
181.05008	2.5
181.08649	1.7
183.06502	2.4
189.00665	1.6
191.07007	2.0
191.14330	15.6
195.04234	5.8
195.06404	1.6
204.04686	19.6
209.06316	1.5
209.07976	6.2
209.15318	20.1
213.05171	3.0
215.06139	1.2
219.01726	2.0
227.07063	1.9
227.09003	2.5
227.12660	3.6
227.16382	59.6
228.27275	1.6
229.00096	1.8
230.01048	1.8
243.20583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05510	32.6
57.03418	2.9
57.07065	4.2
57.64423	1.0
60.17101	0.9
65.03928	1.2
67.05503	58.1
68.05468	1.0
69.07066	21.8
70.06585	1.4
71.04995	6.1
71.08592	1.4
76.71129	0.9
77.52483	1.0
79.05123	0.9
79.05498	8.7
81.07056	52.8
83.08617	34.3
84.08121	1.0
85.06547	6.5
91.05486	6.4
93.07055	11.0
95.08606	100.0
97.06532	8.9
97.09551	1.2
97.10175	21.7
97.40494	1.0
99.04459	1.0
99.08073	3.1
101.06044	1.7
105.07025	4.2
105.13160	1.1
107.08587	5.5
109.06491	1.4
109.10154	49.3
111.08097	7.0
111.11692	3.6
115.07580	1.6
119.08590	9.1
121.10163	5.5
123.08089	2.7
123.11694	7.6
125.09597	2.6
127.07560	1.5
127.11073	0.9
129.09134	1.6
133.10153	13.3
135.11661	4.8
137.09608	6.2
137.61790	0.9
141.09132	1.9
143.19298	0.9
147.11668	8.1
149.13226	3.4
151.11200	1.8
151.14812	7.7
155.10635	1.6
165.16380	1.0
168.07460	0.9
175.14825	43.9
176.40025	1.0
190.14294	0.8
193.15881	22.2
196.79897	1.0
207.06131	1.0
210.18524	2.4
211.16862	9.0
214.60486	0.9
228.10265	1.5
228.12401	1.0
228.19687	12.6
228.23212	14.8
229.17896	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	229.1072
Annotation	Depdecin
Peak:m/z	Relative Intensity
53.03947	10.3
55.01884	9.5
55.05511	30.3
56.96562	4.4
57.03436	40.5
57.07065	4.0
61.02922	6.6
63.31150	1.5
65.03934	2.3
67.05503	15.6
68.99803	1.7
69.03431	100.0
69.07074	12.4
70.06596	2.1
70.75098	2.7
70.75429	1.3
71.01350	6.4
71.04991	29.3
73.02920	15.5
79.05495	14.5
81.03416	37.2
81.07054	16.3
83.01343	1.9
83.04982	21.5
84.96035	1.2
85.02905	61.2
85.06544	33.0
85.06948	0.7
86.09709	1.4
87.04469	4.4
91.05490	15.2
93.07047	17.7
93.27077	1.3
95.04971	15.3
95.08598	9.2
97.02898	30.3
97.06519	14.0
98.73876	1.5
98.97569	7.7
99.00794	1.5
99.04453	21.6
101.02385	2.7
103.03942	3.4
105.07031	10.1
107.04967	4.9
107.08598	3.9
109.02888	11.1
109.06530	18.4
109.10172	2.5
111.04430	11.2
111.08075	5.6
115.03934	4.0
115.05460	1.9
115.07506	1.4
116.98624	1.5
117.06988	4.8
119.08571	9.7
121.06499	15.1
123.04453	3.2
123.08080	10.4
125.06021	3.5
126.12779	3.3
127.03922	53.0
128.98618	2.2
129.05478	17.3
129.06987	3.0
133.02866	5.3
133.06490	7.4
135.08064	7.1
137.06020	3.8
137.09534	1.5
139.07544	6.0
141.05487	1.3
145.04962	13.3
145.06522	2.5
147.04390	1.3
147.08073	9.7
149.06004	2.9
151.07541	8.2
153.05460	1.6
156.03333	3.9
157.03680	4.2
163.01833	2.2
163.07532	5.3
165.05540	1.7
165.09129	5.3
167.07065	5.1
169.03671	2.4
174.04346	2.0
175.04713	2.7
175.07492	6.2
181.08527	2.8
183.07658	1.9
186.04475	2.0
187.04691	8.4
193.04410	5.6
193.08624	4.9
200.96432	1.2
202.04875	2.3
205.05746	4.5
205.07616	1.3
205.79103	1.3
211.09584	6.1
229.05974	2.3
229.08452	2.7
229.10722	17.0
229.15515	4.6
247.06903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	7.4
55.98559	0.9
57.03442	18.5
57.07055	2.1
59.05003	5.9
65.03928	1.1
67.05507	100.0
69.07050	3.3
71.04998	4.2
71.54119	1.4
71.84706	0.8
73.18177	0.9
79.05456	1.5
81.06642	1.1
81.07061	13.3
83.08622	6.2
85.06531	3.0
91.05487	6.0
93.07018	3.3
95.08607	6.2
104.36794	0.9
105.07066	0.8
107.08555	2.1
109.10161	82.5
111.08077	2.9
119.08585	6.2
125.88558	0.9
135.36504	0.9
137.09608	4.0
145.09990	1.0
147.11635	1.1
155.10678	5.9
164.97820	1.2
173.11754	27.0
229.14314	39.5
229.19301	4.6
229.23450	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	229.1435
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03950	1.6
55.01875	7.3
55.05515	6.8
55.28623	1.6
56.96542	1.6
57.03412	3.5
57.07064	2.5
65.88024	1.1
67.05506	29.8
69.03424	1.8
69.07072	13.2
69.54736	7.3
71.04979	2.8
72.95332	1.1
79.05490	12.7
81.03371	1.5
81.07058	52.5
83.04993	6.5
83.08604	5.6
83.44294	1.0
85.02884	1.4
85.06523	3.4
91.05479	26.1
93.07053	10.4
95.04966	7.4
95.08615	13.8
97.06532	11.9
97.99163	1.2
98.20736	1.6
98.97547	2.8
99.00790	3.3
99.08093	1.8
105.07032	28.3
107.04913	1.5
107.08598	11.2
109.02883	1.4
109.06547	8.2
109.10155	16.4
111.04501	1.4
111.08080	1.7
113.05994	2.1
119.08584	29.5
121.06477	1.7
121.09327	1.4
121.10141	18.6
123.08016	3.0
123.10838	1.5
123.11703	21.3
127.07531	2.0
129.07002	7.9
131.08578	7.2
133.10115	11.1
133.61108	1.3
135.08020	1.6
137.13196	2.6
142.07751	1.5
143.08466	1.8
145.10147	7.7
146.91827	2.2
147.08015	2.5
147.11693	81.2
149.09558	4.3
155.08481	2.0
157.08949	1.8
157.10132	19.8
159.08095	1.2
159.11664	3.0
165.11432	2.1
165.12762	37.0
169.10100	3.4
171.11673	3.4
173.09590	3.2
173.11714	3.6
173.13174	2.5
175.11197	18.2
177.40503	1.2
183.08098	1.2
183.11574	2.3
183.13812	2.6
187.11165	1.3
187.14867	1.3
193.12282	6.9
201.12640	2.4
201.16325	1.5
211.13091	2.5
211.14873	2.7
229.04968	2.3
229.08501	3.0
229.14267	100.0
229.19395	3.4
229.23521	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.36298	1.1
55.05521	7.4
57.03440	20.2
57.05105	1.1
57.07068	2.1
59.04992	6.2
65.03925	1.4
67.05504	100.0
69.07035	1.6
71.04991	3.1
71.54891	1.7
79.05499	1.2
79.33394	1.2
81.06648	1.6
81.07063	15.9
83.08611	7.4
85.06544	3.1
85.24756	1.1
90.30697	1.2
91.05486	6.3
93.07026	3.9
95.08589	6.3
105.07029	1.4
107.08555	2.2
109.10157	94.2
111.08062	3.6
119.08548	7.7
121.36662	1.4
136.07532	1.2
137.09601	5.0
145.10089	2.3
155.10654	8.5
159.11613	1.8
173.11746	35.7
184.12668	1.5
184.41101	1.1
189.95236	1.3
229.12096	2.8
229.14304	41.0
229.19339	6.3
229.23419	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	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05513	11.1
57.03439	22.1
57.07077	3.0
59.04988	5.4
63.47798	1.9
65.03933	2.0
67.05506	100.0
69.07070	2.0
70.09212	6.4
71.04976	2.9
73.93377	1.7
79.05493	2.0
81.07057	14.5
83.08629	10.1
84.04488	1.6
85.06525	3.7
85.07555	1.5
91.05473	9.9
93.07039	4.7
95.08624	8.3
98.20860	2.0
100.35114	1.5
105.07032	2.2
107.08617	4.7
109.10159	98.5
111.08085	4.4
119.08593	8.8
121.10103	2.3
131.08583	2.3
133.10077	2.2
137.09612	3.6
145.10075	3.6
146.91864	4.1
154.41492	1.4
155.10660	10.5
157.97862	1.6
159.11731	3.1
173.11746	31.5
176.15089	2.2
217.04018	1.8
229.14278	43.5
229.19411	8.6
229.23491	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	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.03949	0.3
55.01859	1.1
55.05502	1.1
56.96566	4.3
57.03193	0.3
57.03439	2.1
57.07061	0.3
58.06605	5.5
58.99863	0.5
59.07371	1.0
60.07885	0.5
60.08165	6.4
61.02908	1.8
67.05491	0.9
68.05015	0.8
69.03432	3.4
70.06595	30.8
70.98100	0.5
70.99840	0.7
71.01340	0.3
71.04975	1.0
71.94083	0.7
71.95253	0.6
72.08157	1.0
73.02921	2.2
74.06063	0.5
77.00900	0.4
81.03412	1.5
81.07069	0.4
82.99824	1.7
83.04987	0.6
83.40486	0.3
83.97643	0.3
84.04479	0.4
84.08135	0.6
84.96050	0.6
85.02906	4.3
85.06556	0.4
87.04517	0.7
88.99128	0.4
89.00868	0.4
91.05485	1.6
95.08601	0.5
96.08119	1.6
97.02885	4.0
98.06057	0.6
98.97586	11.0
99.00822	0.5
99.04451	1.0
99.97926	0.3
101.00886	17.0
102.96891	0.5
103.00626	0.6
103.02424	0.6
106.01049	0.6
109.02904	1.1
109.06548	0.4
110.01304	0.5
110.97565	0.9
111.04482	0.4
112.96704	1.4
112.99164	0.3
113.00879	1.1
114.05534	3.1
114.06234	0.4
114.06660	0.5
114.09169	1.8
114.10283	1.0
115.02412	1.3
115.03990	0.4
115.96674	0.3
116.07073	1.3
116.98621	3.4
118.03481	0.5
119.01923	32.7
119.04923	1.5
119.08495	0.3
120.02007	0.8
121.01637	1.0
124.07578	2.8
126.09158	0.9
126.12796	3.1
126.98781	1.0
127.02427	0.9
127.03935	1.7
127.04871	0.4
128.02269	1.0
128.98621	1.6
130.97806	0.4
131.01910	3.8
133.01605	0.7
133.03485	3.3
134.99661	1.0
137.02965	4.2
137.05984	2.5
138.03334	0.3
138.06319	0.6
139.01543	0.4
140.02367	0.5
141.00322	0.4
142.03583	0.6
142.08643	28.2
143.00127	0.7
143.01926	2.8
144.99820	2.6
145.01666	0.6
145.03448	3.8
145.96678	0.4
146.91847	0.3
146.99619	0.7
147.01369	0.8
147.03261	0.6
147.04358	3.1
148.03806	0.7
149.02956	0.7
151.04510	0.4
153.01842	2.5
155.01875	0.6
155.08101	0.4
157.03523	1.4
158.99661	2.7
159.01262	0.7
159.03235	0.9
159.04985	0.5
160.02112	0.5
160.04593	0.4
161.01193	0.5
161.02931	3.1
162.01791	0.5
162.03087	0.5
163.04573	0.6
167.07010	0.9
168.98276	0.5
168.99825	4.1
169.03471	1.3
170.08138	1.4
172.99316	0.8
173.02991	1.4
175.02713	0.8
175.04550	2.4
177.00716	1.4
177.02464	0.9
179.07092	0.6
183.02412	0.4
183.04993	0.5
183.07632	1.7
183.11247	0.6
184.03079	0.6
184.04544	0.8
185.02974	1.1
186.04417	0.4
186.99240	0.6
187.00883	7.8
187.02695	2.0
187.04298	3.0
189.00787	0.5
189.02438	0.5
190.03143	0.6
191.00459	0.4
191.03998	0.4
192.02759	0.4
193.00156	0.3
196.99500	1.9
197.00795	1.8
197.02695	0.4
201.02470	0.5
201.06070	0.6
201.54118	0.4
203.04088	1.7
205.00224	0.6
205.01949	1.3
205.03770	0.5
205.05701	1.0
205.98817	0.9
206.06877	0.6
208.04869	3.0
208.55176	0.6
215.00363	8.1
215.02170	0.7
217.03734	0.4
217.05579	1.6
217.55652	0.5
219.01773	0.4
221.05009	0.8
229.03612	2.9
229.05678	1.4
229.15477	100.0
230.11464	0.5
230.15791	0.7
235.02921	0.5
237.02751	0.5
247.02910	0.5
247.06860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Sarmentol D
Peak:m/z	Relative Intensity
55.05507	4.6
57.03437	8.0
57.07061	5.9
67.05492	7.1
69.07069	9.1
69.84525	7.2
71.04988	9.5
73.33189	1.6
75.04477	5.3
79.05499	3.5
79.53577	1.6
79.64505	1.6
80.48834	1.9
81.07056	29.0
83.08596	4.0
85.06533	2.4
91.05477	3.5
93.07044	14.6
95.08611	22.5
97.06540	1.7
99.08117	2.6
104.33940	2.0
105.07030	11.6
107.08597	14.9
109.10162	18.5
111.08067	4.9
115.07553	7.1
119.08589	32.1
121.10143	57.8
123.08098	3.1
123.11710	100.0
125.09615	2.4
127.07539	1.8
133.10136	37.3
135.11697	28.3
137.09639	4.7
137.13225	13.8
137.61165	1.6
145.10193	2.0
147.11690	3.7
149.13239	5.5
165.16408	1.9
173.13290	1.8
175.14841	57.4
188.39008	1.7
193.15900	24.9
211.16943	20.0
223.33618	1.8
229.18016	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.01858	1.4
55.05511	11.9
56.96563	1.1
57.03429	1.7
57.07073	3.0
59.04984	2.0
67.05510	13.7
69.03445	5.2
69.07060	4.5
70.70208	2.6
71.01357	1.4
71.05001	7.5
79.05482	3.6
79.39970	1.0
81.07053	9.3
83.04969	2.8
83.08631	11.0
85.02891	2.7
85.06541	3.0
91.05488	1.9
93.07043	10.0
95.04968	11.1
95.08614	25.6
97.02868	2.4
97.06527	3.0
98.97587	3.9
99.04455	8.3
99.08098	100.0
104.32516	0.9
105.07025	3.0
107.08604	10.8
109.06527	2.7
109.10162	47.4
111.08071	3.3
113.05974	1.8
113.09588	1.4
117.09132	1.5
119.08591	6.2
121.10132	4.3
123.08063	3.0
123.11687	3.1
125.09634	1.6
127.11188	1.9
133.06445	0.8
133.10168	5.4
135.11708	16.0
137.09618	15.5
139.11145	1.1
149.13278	1.3
151.11191	2.3
151.14821	3.4
153.12761	3.2
155.10670	20.4
157.05157	1.1
164.44215	0.9
167.84158	1.1
175.14839	6.0
193.15906	10.6
211.16940	42.3
216.07091	1.3
229.07347	5.6
229.18040	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	229.1798
Annotation	Sarmentol D
Peak:m/z	Relative Intensity
55.01864	1.1
55.05513	4.2
55.44701	0.9
56.96559	1.6
57.03232	0.7
57.03442	6.9
57.07072	6.3
59.04985	1.6
61.55058	0.8
62.70440	0.8
64.91111	0.9
67.05507	6.7
69.03410	1.5
69.07070	12.8
69.59595	6.3
71.05000	10.6
72.68973	1.0
73.06543	1.8
74.65103	0.8
75.04480	5.8
78.87698	0.9
79.05482	4.6
81.03429	1.3
81.06586	1.8
81.07058	31.1
81.99323	1.0
83.04979	1.9
83.08616	4.8
85.02870	0.9
85.06544	2.5
91.05476	4.2
93.07045	15.7
95.04961	2.1
95.08610	30.0
97.06503	2.9
97.10205	1.3
98.97598	5.7
99.04448	2.8
99.08108	9.0
105.07037	13.7
107.08598	19.2
109.06510	3.1
109.10162	18.9
109.10901	0.7
111.08111	4.2
113.09650	3.1
115.07577	5.3
116.98618	1.9
119.08588	35.1
121.10147	55.7
123.08089	4.5
123.11710	100.0
125.05958	1.6
125.09655	1.1
127.07536	1.6
129.09132	1.5
131.08524	1.2
133.10133	39.9
135.10681	1.7
135.11697	28.1
137.09596	5.7
137.13268	14.1
139.11166	1.1
145.10107	1.0
147.11662	3.4
149.13287	6.1
151.11191	1.1
151.14845	1.0
153.12766	1.6
155.10614	1.9
158.99643	2.5
175.14832	62.9
177.00768	1.4
179.10651	1.0
185.99025	0.9
191.35420	0.9
193.15894	29.3
208.06703	2.4
211.16951	23.0
217.07312	1.4
229.18004	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.34801	0.9
53.03926	0.9
55.01866	1.2
55.05512	17.0
57.03432	1.9
57.07063	4.6
59.04984	2.0
67.05176	1.5
67.05506	22.4
69.07070	19.5
69.55585	6.6
71.04977	3.3
71.08631	1.1
79.05500	6.6
79.58718	1.2
81.06595	1.5
81.07059	29.6
83.04967	3.3
83.08624	13.0
85.06530	4.3
91.05476	3.8
93.07041	13.1
95.05008	1.1
95.08611	100.0
97.06501	4.1
97.10176	5.3
99.08083	1.2
101.06023	9.4
105.07041	5.8
107.08598	14.2
109.10166	40.7
111.08067	3.2
113.09602	1.4
115.07565	3.8
119.08575	11.6
121.02869	2.7
121.10149	11.5
123.08101	5.4
123.11701	10.6
125.09614	4.0
133.10143	10.6
135.11702	19.7
137.09608	6.5
137.13231	2.5
139.11127	5.0
147.11656	4.1
149.13281	10.6
151.11259	1.6
151.14752	1.3
163.14830	24.8
165.16403	5.6
167.07013	1.0
175.14842	24.1
181.15878	23.7
193.15877	31.1
211.16940	92.2
222.36296	1.1
229.17805	5.4
239.47336	1.2
241.44891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1801
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.65875	1.7
53.03931	3.1
55.05267	3.1
55.05518	46.9
57.03434	2.9
57.07077	5.4
59.05003	9.1
65.03956	1.8
67.05508	22.4
69.03432	15.4
69.07079	18.1
70.77287	4.0
70.77621	2.3
71.05006	10.0
79.05494	2.3
80.96697	1.8
81.07059	22.9
83.04990	51.1
83.08619	37.8
85.06545	24.0
87.04464	3.2
91.05459	4.9
93.07048	16.1
95.04962	5.7
95.08604	14.8
97.06544	2.2
97.10172	7.9
99.08086	15.8
101.06017	5.9
105.07052	7.6
107.08611	29.8
109.06516	2.7
109.10164	75.8
111.08114	5.9
111.91974	1.7
119.08593	9.2
121.10170	8.5
123.08110	2.6
123.11722	34.4
125.09650	15.8
127.11208	33.3
133.10150	6.5
135.11707	20.1
137.09560	1.9
147.11722	3.8
149.13275	14.3
151.11182	16.1
151.14861	3.2
166.26283	1.9
167.14323	40.6
169.12257	44.6
175.14844	11.2
177.09834	1.8
185.15355	13.3
193.15910	22.5
211.16946	100.0
229.08603	3.2
229.12256	4.1
229.16000	3.7
229.17934	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	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
55.05513	58.5
57.07076	8.7
57.91853	1.5
59.05001	9.9
67.05508	26.7
69.03423	17.8
69.07079	20.4
70.29026	5.1
70.29375	1.8
71.04993	7.3
79.05495	5.7
81.07054	23.1
83.04984	57.0
83.08621	36.8
85.06078	2.2
85.06552	27.9
87.04465	1.7
89.49388	1.5
91.05506	5.0
93.07039	15.2
95.04977	6.9
95.08610	21.6
97.06561	3.0
97.10167	7.3
98.21369	2.6
98.97578	2.5
99.08099	14.1
101.06032	9.9
105.07046	6.9
107.08593	34.8
109.06525	4.0
109.10161	76.7
111.08091	7.1
113.06042	2.4
113.09631	1.9
119.07811	1.4
119.08560	8.4
121.10149	9.8
123.08122	3.9
123.11716	37.2
125.09600	16.3
127.11191	30.1
131.08543	2.1
133.10126	7.2
135.11691	32.4
137.09625	6.0
137.70750	1.6
139.11234	2.1
147.11699	2.4
149.13272	11.9
151.11185	9.8
151.14824	2.8
153.12764	11.0
155.10669	3.3
167.14319	36.3
169.12245	47.8
171.13843	5.6
175.14803	10.2
185.15395	13.1
193.15892	21.4
197.12944	2.7
211.16933	100.0
223.26834	1.5
229.08745	2.1
229.12398	1.6
229.15880	2.6
229.17981	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	229.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90891	1.3
51.97598	1.2
52.19617	1.4
53.03946	2.4
55.01883	2.7
55.05518	57.0
56.96561	1.9
57.03437	4.6
57.07075	8.6
59.05013	11.5
67.05511	31.4
68.77518	1.3
69.03433	15.9
69.07075	24.6
71.04990	11.5
76.54714	1.6
78.52506	1.5
79.05488	7.1
81.07061	31.9
83.04990	61.6
83.08628	38.1
85.02886	3.1
85.06557	33.3
87.04483	3.9
91.05475	6.7
93.07054	23.4
95.04969	12.2
95.08611	24.6
97.06520	2.3
97.10178	9.1
98.20753	5.0
98.97590	6.0
99.04464	2.4
99.08107	17.3
101.06037	12.7
105.07018	11.3
107.04974	1.9
107.08604	35.9
109.06505	4.5
109.10167	100.0
111.08083	8.7
113.06003	3.5
115.05499	1.4
116.98592	1.8
117.07021	1.5
119.08601	16.3
121.02905	2.6
121.10150	14.5
123.08051	3.1
123.11723	47.0
125.09655	18.3
127.11208	35.6
131.08592	2.7
133.10139	13.6
135.11717	35.2
137.09634	5.8
139.11185	2.9
141.12737	2.7
145.10130	6.2
146.91820	2.1
147.08076	1.4
147.11716	4.0
149.13275	15.9
151.10341	1.5
151.11250	16.1
151.14839	4.7
153.12733	14.4
155.08534	2.0
155.10712	3.3
157.10135	2.4
158.99672	4.3
159.08022	1.7
159.11722	3.4
165.16428	2.0
167.14331	39.6
169.12260	57.1
169.13683	3.1
171.07938	1.4
171.13815	4.5
173.09630	3.9
173.11861	1.8
173.13258	4.4
175.14865	15.5
183.11719	1.9
185.13849	2.3
185.15344	12.2
187.11205	4.2
187.72490	1.4
193.12285	1.9
193.15892	27.3
197.01151	4.2
201.12828	2.7
211.16948	99.9
220.10391	2.0
229.08598	3.3
229.12244	4.7
229.14130	2.3
229.15904	6.9
229.17993	21.2
229.19708	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	230.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.1
58.99854	1.4
69.97202	3.4
70.00327	0.9
70.99848	4.1
77.00874	1.1
81.02299	1.0
82.01442	6.4
82.99838	11.1
84.04123	0.9
84.04513	10.1
85.01431	1.2
89.00884	2.5
100.02479	9.9
101.00889	93.6
102.00945	1.9
103.02468	1.4
105.00363	1.2
110.01360	1.0
113.00846	4.1
115.02406	2.9
116.05599	1.7
118.03534	1.9
119.01928	100.0
120.02000	1.8
121.02313	0.9
124.02456	9.5
124.99109	2.4
126.04025	1.0
127.02422	10.1
127.20566	0.8
128.02614	1.5
131.01906	6.5
133.03429	1.1
137.02969	8.8
140.53059	0.9
142.03539	23.0
143.00163	1.7
143.01895	19.5
143.03630	1.3
144.04924	1.6
145.03474	44.9
146.03589	6.1
149.02878	1.2
152.03860	0.9
154.03456	3.2
156.02711	1.5
157.03360	1.3
159.01373	10.4
160.04584	6.7
161.02960	17.7
163.04546	4.7
165.01396	1.2
165.03159	1.7
165.53308	1.2
166.02266	1.7
166.03491	11.7
170.03015	2.7
171.01414	11.1
174.02052	1.6
174.03751	9.3
174.53848	3.7
175.02742	1.7
175.52789	1.1
177.02481	16.7
179.02895	1.2
180.01868	1.1
182.02997	4.5
183.04198	2.5
184.04567	61.0
185.03099	1.4
185.04697	1.4
186.00916	1.2
186.03729	4.1
186.53766	1.2
188.04695	5.8
189.02499	41.6
195.01601	2.2
195.04227	2.6
198.02936	3.6
200.03984	1.0
202.05618	20.3
203.04057	1.3
206.05177	3.0
207.03537	4.6
209.04031	3.8
209.54027	2.2
210.02095	4.6
212.04048	2.9
218.04570	14.0
218.54605	6.0
230.05092	24.4
241.65894	1.0
245.03578	1.3
248.06198	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05502	1.8
56.96573	9.6
57.03437	2.0
57.07072	1.1
61.01338	1.2
62.83350	1.2
67.05494	4.7
69.03417	3.7
69.07064	3.2
69.97433	4.8
70.06596	2.1
70.14590	0.9
71.04993	3.4
73.36709	1.3
79.05470	3.3
80.05000	1.4
81.03414	1.4
81.07061	3.2
82.06567	3.3
83.04955	1.4
83.10214	1.0
84.96036	1.0
85.02879	2.3
85.06553	1.3
86.06052	2.9
91.05463	2.7
93.07017	3.0
94.06569	9.3
95.04967	3.4
95.08604	3.0
96.08136	2.3
97.02904	3.4
97.06535	2.0
97.99152	1.2
98.06046	2.5
98.97601	11.5
105.07022	3.4
106.06518	1.3
107.08588	1.9
108.08118	3.5
109.02883	1.3
109.06554	3.0
110.06052	9.5
110.09638	1.5
111.06821	1.6
111.08115	2.6
112.07623	2.2
112.60581	1.1
113.06010	2.6
116.98633	9.0
120.08120	2.3
121.06480	2.7
121.10137	1.8
122.06045	21.7
122.09680	3.0
123.04414	1.9
123.06804	2.7
124.07605	6.7
131.08560	2.6
133.08885	1.6
134.09695	2.7
134.99678	2.9
135.07982	1.8
136.07579	8.8
136.11214	3.0
137.08359	1.2
138.09149	10.7
139.07529	3.9
140.07080	29.9
148.07607	2.0
148.11217	7.3
148.71309	1.0
149.09618	4.7
150.09140	3.4
150.62469	1.2
152.07069	1.8
153.01833	3.8
154.08649	42.1
156.10205	1.4
158.99698	1.4
166.08638	2.8
166.12303	10.0
167.10692	2.6
168.10204	2.1
176.10707	6.2
177.00772	1.7
177.09088	2.6
179.00208	1.0
182.08159	1.2
184.09610	1.4
194.08273	1.5
194.11801	20.8
195.10170	1.3
207.05568	1.1
212.09171	1.6
212.12846	16.8
226.53825	1.1
230.10175	3.3
230.13889	100.0
230.24603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
58.99865	0.7
69.03439	0.4
69.50870	1.7
69.51280	1.0
70.66561	0.4
73.06586	0.5
82.99860	0.7
84.08150	0.8
85.01428	0.6
86.99322	0.6
94.51861	0.4
97.01383	0.6
98.97588	2.6
101.00893	7.9
103.02446	0.8
112.99151	0.6
113.00879	1.0
115.02433	2.5
116.98636	1.1
117.03984	0.7
119.01934	15.0
121.01656	0.6
130.45863	0.4
131.01929	2.8
133.03485	1.9
134.99623	0.5
137.02989	2.3
139.02470	1.4
139.57204	0.4
141.00328	0.8
141.04030	0.5
143.01909	7.5
145.03505	2.3
147.01436	1.5
149.00827	1.9
149.02988	0.7
157.03481	6.7
159.01410	8.3
161.02969	13.1
167.01918	13.3
168.34303	0.4
171.01378	2.0
171.05049	0.5
173.02953	1.4
175.04591	1.5
177.02499	3.4
179.04019	0.4
180.05043	0.5
182.03658	0.6
183.01376	0.6
185.02975	100.0
186.03185	1.5
189.02469	3.6
189.04175	0.6
189.06071	0.9
190.03508	6.2
191.04018	0.9
200.04686	1.2
201.02463	6.2
203.04028	14.4
207.01772	0.9
207.03593	1.6
208.04568	49.2
213.07870	0.7
219.03523	19.4
220.03654	0.4
226.05611	1.8
231.03551	10.5
231.06009	1.5
231.10847	1.4
237.04573	1.7
242.05176	0.5
249.02144	0.4
249.04588	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	231.1746
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	1.8
55.05522	6.5
56.69226	1.1
56.96577	2.5
57.03420	2.9
65.03938	1.8
67.05507	13.1
69.03437	12.5
69.07078	14.8
71.04977	3.2
79.05503	6.5
81.03394	4.7
81.07059	11.0
83.04974	4.7
83.08626	4.0
84.95997	1.4
85.02895	4.9
85.06547	2.1
87.00805	1.6
91.05492	11.8
92.81065	1.1
93.07054	12.0
94.20940	1.2
95.04991	10.0
95.08615	14.8
97.02881	3.1
97.06548	1.3
98.97578	3.6
99.04470	1.6
99.08026	1.2
104.11005	1.2
105.07043	17.8
107.04932	2.3
107.08605	11.1
109.02881	2.6
109.06522	4.3
109.10188	9.5
110.97535	2.5
111.04465	5.9
111.08051	1.3
115.05466	4.6
117.07018	5.4
119.04942	1.3
119.08598	20.1
121.06509	5.0
121.10157	8.0
122.10925	1.2
123.04414	1.7
123.08050	2.5
123.11681	2.8
125.64359	1.2
127.03904	4.1
128.06221	4.5
128.98604	2.0
129.07022	8.2
131.04820	1.5
131.08553	10.8
133.06508	3.4
133.10129	21.2
135.08057	5.0
135.11679	3.6
137.09616	3.2
141.07025	2.1
142.07784	8.3
143.04883	1.2
143.08577	11.0
144.09297	1.5
145.06497	2.1
145.10132	16.1
146.99643	1.8
147.08070	6.1
147.11684	7.2
149.05969	1.3
149.09622	3.0
149.13258	1.7
153.01805	2.2
156.09378	3.5
157.06490	3.7
157.10156	20.3
159.08063	2.6
159.11708	7.8
161.05956	2.7
161.09636	25.1
161.13274	4.7
163.11188	1.4
167.08595	1.7
169.10220	1.3
170.07278	4.3
171.04379	2.1
171.08064	1.8
171.11708	6.9
173.09676	2.4
173.13293	28.3
175.07599	2.3
175.11198	12.4
175.14793	1.7
184.05313	1.5
185.02989	1.2
185.05988	1.9
185.09605	9.5
185.13268	5.6
187.14874	6.5
189.05490	2.4
189.09137	1.6
189.12769	3.4
189.16367	8.8
198.14058	1.6
203.07027	3.1
203.10696	1.8
203.14322	4.5
203.18040	1.5
213.09193	4.1
213.12807	3.7
213.16432	14.1
231.06409	7.3
231.10135	19.0
231.13992	14.7
231.17462	100.0
231.21167	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	231.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60701	1.0
53.03954	2.1
55.01867	1.3
55.05519	11.8
56.96564	1.4
57.03434	1.4
57.07084	6.5
59.05005	1.1
67.05510	8.0
69.03439	12.1
69.07076	23.1
71.04416	2.6
71.04992	5.2
79.05490	6.8
79.23271	1.1
81.03410	4.3
81.07066	21.7
83.04983	2.5
83.08631	14.0
85.02903	5.4
85.06535	4.7
87.00824	1.5
91.05473	5.5
93.07053	18.8
95.08617	38.5
97.02901	2.1
97.06541	3.8
97.10186	7.1
98.97588	2.0
99.04460	2.1
99.08083	2.0
105.07037	6.9
107.08602	41.5
109.02855	2.8
109.10172	26.7
111.04450	2.2
111.08094	5.1
111.11730	3.1
117.07068	1.1
119.08578	4.9
121.10156	79.6
123.11715	21.2
125.09659	3.4
125.13308	2.2
127.03921	4.4
128.06256	2.2
129.06956	1.3
131.08595	1.7
133.10141	3.9
135.11717	32.5
137.13269	23.7
139.11201	7.7
143.08618	2.8
145.10150	3.1
149.13283	13.6
151.14812	3.5
153.12820	1.6
157.06454	1.3
157.10153	2.2
161.05983	1.8
161.09688	1.7
165.16402	11.1
171.08083	2.3
171.11693	2.3
177.16400	100.0
183.17465	4.7
185.03006	1.7
185.09619	2.3
187.07553	1.4
195.16049	1.5
195.17508	13.8
203.10643	1.7
213.09096	4.6
213.16582	1.9
231.10126	10.8
231.13580	5.7
231.17476	4.7
231.19562	3.2
236.05904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.7
55.88115	0.8
56.12615	0.8
57.07062	1.9
67.05170	1.4
67.05501	15.1
69.07060	7.4
70.87455	0.8
79.05474	4.2
81.07055	21.8
83.08620	2.7
86.29379	0.8
91.05479	3.9
93.07041	16.0
95.08604	39.6
105.07031	8.8
106.88548	0.8
107.08589	20.7
109.10153	23.0
109.80001	0.8
110.48487	0.9
111.04414	1.1
116.80051	0.7
119.08566	9.1
121.10141	23.2
123.10826	1.1
123.11710	19.3
133.10120	8.7
135.11691	25.9
137.13234	4.0
147.11693	8.3
149.13246	12.0
161.13258	13.5
175.14807	13.3
189.16420	8.4
213.38568	0.9
231.21072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66839	1.9
53.39006	1.6
55.05499	3.2
62.70908	1.6
67.05498	13.6
69.07071	9.2
69.27745	16.7
77.64970	1.5
79.05481	4.4
81.07056	30.7
83.08603	3.5
91.05474	5.1
91.44152	1.7
93.07033	16.5
95.08611	36.0
97.10194	1.9
100.19905	1.8
105.07007	13.9
107.08589	36.3
109.09465	2.2
109.10169	24.7
113.44200	1.7
119.08607	10.9
121.10139	29.1
123.11715	26.5
133.10132	10.2
135.11703	15.9
137.13336	4.2
146.93152	2.4
147.11685	7.7
149.13284	11.6
161.13261	19.4
175.14821	18.0
189.16391	6.2
208.55586	1.9
211.24684	2.1
218.84355	1.7
231.21080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.0
55.05513	3.2
56.05005	3.2
56.96569	16.1
57.03436	3.7
59.63739	2.4
59.77913	2.0
61.02929	3.0
65.03904	2.2
68.96597	2.3
69.03421	9.7
69.07031	4.0
69.94020	5.1
69.94432	9.4
70.02936	3.3
71.01355	2.1
71.04996	2.3
71.08630	50.5
72.04515	2.9
72.08149	4.6
73.02923	7.0
73.08453	2.6
76.91859	1.9
81.03410	7.0
84.04523	3.5
84.08112	2.2
85.02916	10.9
88.03991	51.5
95.08660	2.1
97.02889	9.7
98.02421	24.2
98.20889	2.9
98.97563	15.5
99.00815	3.6
99.04461	3.1
100.03984	2.7
100.07549	2.7
102.05552	3.2
105.07008	3.1
106.06650	3.5
109.02895	3.2
110.97614	3.3
111.04447	2.6
116.03452	54.3
116.98627	5.9
119.01872	3.1
128.98550	3.8
130.05011	36.5
135.43329	2.6
144.02933	27.3
146.02353	3.0
146.04475	9.6
149.01242	5.2
158.04486	37.6
158.11774	2.7
158.99692	4.3
168.10217	7.1
174.12746	6.6
184.03110	3.2
186.11238	39.8
200.04460	3.4
211.05475	3.0
211.54155	7.9
214.10741	100.0
214.12796	4.8
219.06483	2.3
220.54759	7.7
232.02904	3.7
232.06102	3.5
232.09645	5.6
232.11752	35.3
232.13797	2.8
232.16914	6.0
237.02934	3.5
246.70979	2.4
250.03908	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	232.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03476	0.4
55.05512	0.4
56.05039	9.3
56.96555	0.5
57.07075	8.2
58.27744	0.4
69.07051	0.6
69.74174	2.2
71.08636	5.7
72.76238	0.4
74.06082	22.6
79.05471	0.4
81.07084	0.4
82.97385	0.3
85.02914	0.4
85.26576	0.4
88.04043	0.4
88.07632	57.1
93.07076	0.5
95.08596	0.4
98.21544	0.7
98.97586	0.7
102.05556	4.4
105.07037	0.5
107.08626	0.5
111.64721	0.4
116.07111	0.9
116.98597	0.5
120.06580	5.6
143.01909	0.7
145.10162	0.5
161.02945	0.9
186.18539	36.7
212.54538	0.4
214.18034	4.2
232.19084	100.0
233.19458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
56.95543	0.2
56.96553	0.2
57.07077	4.0
58.06591	0.5
62.06081	0.5
67.05486	0.2
68.05029	0.3
69.03410	0.5
69.07047	0.3
70.06592	9.7
70.84148	0.5
71.08630	2.5
74.06087	0.3
76.41960	0.2
79.05485	0.3
79.91408	0.2
81.07050	0.2
83.39743	0.2
85.02892	0.3
85.10178	1.1
88.07633	14.5
91.05482	0.3
93.07023	0.3
95.04948	0.4
95.08596	0.5
98.97581	0.8
102.09178	4.1
105.07021	0.6
106.08668	7.7
106.63754	0.2
106.66995	0.2
107.04969	0.3
107.08569	0.5
119.08585	1.4
121.06501	0.3
121.10143	0.4
131.08533	0.8
133.10123	0.4
145.10075	0.5
159.11656	0.6
170.19073	0.6
171.07503	0.2
174.12741	0.4
187.11168	0.6
187.14998	0.2
188.07085	0.2
188.20079	0.5
191.14284	0.3
197.13255	0.3
204.13892	0.3
214.17012	0.3
214.21660	5.9
232.13416	4.8
232.22717	100.0
233.15343	1.1
233.23076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
55.05509	0.9
57.03437	1.2
58.98335	0.8
67.05489	3.0
69.07048	1.3
69.57964	4.3
69.58372	2.1
71.04967	1.4
72.08206	0.8
79.05499	2.3
81.07043	3.3
83.08627	1.0
85.02893	1.3
86.09672	1.2
91.05482	2.3
93.07023	1.7
95.04939	0.9
95.08609	4.3
97.02886	0.9
97.06541	1.1
98.20850	1.8
98.97587	1.1
105.07018	3.8
107.04938	2.4
107.08569	2.0
109.06541	1.3
109.10169	4.2
115.05464	1.8
117.07027	1.8
119.08563	2.4
121.06522	2.1
123.11707	2.2
125.09594	1.3
128.06213	3.4
129.07007	4.7
130.07642	1.1
131.04913	1.7
131.08572	5.2
133.06451	1.5
133.10132	1.4
135.08049	1.6
137.05995	1.2
141.06952	2.1
142.07860	1.2
143.08578	1.8
145.06491	8.5
145.10127	3.5
146.07195	1.0
147.08034	1.8
147.11685	1.8
149.09579	1.2
151.07542	2.4
153.07021	0.9
155.08589	1.2
157.06474	6.9
158.07268	5.4
159.08057	12.2
159.11713	1.2
160.08911	1.3
161.05949	2.3
162.06720	1.3
163.07645	1.2
165.08939	0.8
169.06444	3.9
170.07295	1.4
171.08038	6.5
172.08827	19.8
173.05994	11.8
173.09612	3.2
173.13304	1.3
174.06752	2.6
174.10403	8.8
175.07535	3.4
175.11125	1.1
176.04744	1.2
176.08331	2.1
177.09084	3.6
179.17886	1.3
183.08076	1.8
184.08842	11.4
185.06029	4.6
187.07532	3.9
187.14807	2.0
188.08333	46.5
189.09143	6.0
190.09868	2.8
191.10669	1.3
197.19240	0.9
199.07695	1.6
200.08331	7.6
202.09900	2.6
203.10664	41.9
205.08578	2.1
205.12257	10.9
215.07335	1.0
215.10683	21.1
215.14090	1.7
222.08331	2.4
233.08008	3.5
233.11728	100.0
233.15459	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	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
52.08489	0.8
53.03925	1.6
55.05507	6.2
56.96556	1.8
57.07056	2.0
60.40464	0.9
64.72672	0.8
67.05510	9.3
69.07066	5.3
73.02935	1.4
79.05495	9.4
81.07061	28.9
83.04968	0.9
83.08601	2.7
89.70433	0.8
91.05484	15.0
93.07048	20.7
95.04973	1.5
95.08064	1.5
95.08614	22.0
97.06506	1.8
97.10126	1.6
98.97572	1.0
101.85691	0.8
103.05435	1.6
105.07036	32.7
107.04943	1.0
107.08598	19.0
109.06556	1.5
109.10172	7.0
115.05405	1.2
117.07014	9.5
119.05058	0.9
119.07798	1.5
119.08586	19.8
121.06497	3.9
121.10150	7.2
123.08018	1.9
125.05979	3.3
129.07018	2.3
130.07727	1.7
131.08575	37.0
133.06482	2.8
133.10144	10.6
135.04382	1.6
135.08032	3.3
135.11732	1.9
137.05971	2.4
139.07607	4.6
141.06891	1.1
143.08560	4.4
144.09262	0.9
145.06444	1.8
145.10129	35.5
147.11688	10.4
149.05942	2.1
149.09637	1.7
149.13237	1.2
151.07523	4.4
155.08521	3.8
157.10170	4.5
159.08038	4.0
159.11703	18.2
161.13272	13.8
163.07564	4.8
167.08586	1.5
168.94165	1.6
169.04532	1.0
169.10210	2.2
171.11702	2.2
173.09636	3.0
173.13240	4.1
175.14719	1.2
177.05479	1.5
177.09117	12.5
178.06239	1.6
178.95993	1.6
182.10912	2.2
185.13179	1.1
186.95273	1.7
187.11388	4.3
187.14825	100.0
188.15038	1.2
189.16377	1.8
191.06972	1.2
191.10660	2.8
191.14262	1.5
197.13263	9.5
205.15791	5.5
212.10498	0.9
215.14319	26.3
215.17725	1.9
233.04413	1.0
233.08099	1.5
233.11626	2.9
233.15359	57.0
233.18753	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	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03936	2.1
53.54896	1.3
53.85637	1.7
55.01861	2.2
55.05514	11.1
57.03444	1.7
57.07071	3.3
57.07349	1.4
61.51341	1.7
62.20733	1.4
65.03947	2.0
65.69041	1.5
67.05505	15.2
69.03418	2.5
69.07067	18.1
71.04979	2.8
71.54746	1.5
79.05132	1.4
79.05505	14.7
81.07060	27.3
83.04984	2.1
83.08608	4.1
85.06535	1.8
91.05487	22.5
93.07048	29.5
95.04953	5.5
95.08620	37.2
97.06546	3.9
97.10147	3.2
99.08105	2.4
105.07040	57.6
107.04928	2.9
107.08602	37.1
109.06503	2.4
109.10159	25.1
110.77097	1.5
111.08084	2.4
115.05460	3.6
116.06159	1.7
117.07047	22.5
119.08578	43.3
121.06505	6.7
121.10163	19.9
123.08063	3.1
123.11694	6.7
125.05989	6.3
129.07005	6.4
130.07771	7.7
131.08574	56.9
133.10127	35.6
135.08023	2.9
135.11671	10.0
137.05898	2.5
137.09589	2.9
139.07504	4.2
141.57898	1.5
143.08537	6.2
144.09364	7.0
145.06464	2.2
145.10129	84.9
146.10808	1.6
147.08006	1.9
147.11681	15.7
149.09636	2.2
149.13261	10.0
156.09265	1.9
157.10129	4.3
158.10919	3.7
159.08023	1.9
159.11699	63.1
161.13339	7.1
163.11142	2.5
163.14796	4.3
171.11671	5.1
173.09657	1.8
173.13263	38.2
175.11156	6.3
175.14841	9.6
177.09125	1.5
177.12762	7.6
177.16441	2.0
185.13214	1.5
187.11092	1.6
187.14813	11.2
189.16382	6.5
191.14250	1.9
194.76529	1.5
197.13191	2.0
201.12881	3.6
203.06845	1.7
203.17934	6.5
205.15932	2.0
205.19513	5.9
215.10941	1.8
215.14334	8.6
215.17967	100.0
233.08148	5.8
233.11748	4.8
233.15430	27.6
233.19006	68.5
252.19179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03933	2.0
55.05512	11.1
56.99289	1.4
57.03423	1.9
57.07053	3.2
63.52839	1.2
66.30142	1.2
67.05511	15.5
69.03428	2.3
69.07074	17.3
69.09653	1.2
71.52477	1.3
71.52873	2.4
75.25980	1.3
77.03910	1.2
79.05500	16.8
79.91360	1.8
81.06592	1.6
81.07061	25.8
83.04976	2.3
83.08612	3.6
85.06517	3.3
91.05486	17.0
93.07044	27.2
95.04983	1.6
95.08610	34.4
97.06535	1.7
97.10150	5.1
105.07030	46.2
107.04924	4.9
107.08597	31.3
109.06517	2.0
109.10165	23.7
111.08106	1.8
117.07015	17.6
119.08584	36.2
121.06523	3.8
121.10146	23.9
123.08063	3.0
123.11710	6.0
125.05947	2.8
129.06993	4.1
130.07756	4.1
131.07605	2.6
131.08571	46.3
132.49760	1.3
133.10129	30.9
135.08066	2.8
135.11691	7.8
137.09631	2.7
139.07513	4.3
143.08574	3.0
144.09290	4.8
145.06404	1.6
145.10127	53.4
146.10796	1.5
147.08060	2.6
147.11694	12.8
149.09589	2.0
149.13234	8.4
156.72536	1.4
157.10150	4.0
158.10890	1.9
159.11699	58.3
160.12518	2.2
161.13252	5.9
163.11147	3.1
163.14807	3.0
171.11630	2.6
172.12524	1.5
173.06055	1.6
173.09605	2.5
173.13269	27.7
175.11183	4.1
175.14833	13.3
177.12704	7.0
185.13261	1.7
187.11182	1.3
187.14854	8.1
189.16396	5.2
191.14291	4.2
200.15463	2.3
203.16185	1.7
203.17966	9.4
205.16000	1.4
205.19464	6.9
215.14426	5.1
215.17955	100.0
216.18297	1.6
233.08110	4.7
233.11641	1.9
233.15436	18.6
233.18991	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	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02525	0.2
55.05489	0.3
56.05038	8.1
57.07075	5.6
58.06605	5.6
60.04527	1.5
66.37601	0.3
68.05025	0.4
69.07064	0.4
69.36805	1.1
69.37224	0.9
71.08632	4.0
72.58912	0.2
73.36340	0.2
74.06084	9.6
74.75505	0.2
86.06059	1.0
88.07634	24.5
90.05544	0.4
100.07632	0.2
104.07119	0.8
118.08652	4.6
122.08144	6.1
148.28627	0.3
172.17030	0.3
186.18538	47.6
187.18799	0.3
206.86435	0.3
216.19630	1.5
217.10567	0.3
220.32141	0.3
234.20647	100.0
235.20988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03931	1.3
55.01865	1.9
55.05512	6.2
57.03440	1.2
57.07082	15.7
58.37626	1.1
58.53996	1.0
58.96116	2.2
59.04987	4.1
65.03928	1.4
67.05516	11.7
69.03431	6.0
69.06731	1.4
69.07077	18.2
69.42374	6.2
69.42787	2.5
71.05001	8.6
79.05500	11.6
81.03423	1.7
81.07066	15.6
83.04985	3.2
83.08614	3.7
83.48842	1.0
85.06530	3.4
91.05486	15.4
92.06718	1.0
93.07053	21.9
95.04968	8.4
95.08614	22.6
97.06541	7.8
98.21474	2.0
105.07042	34.0
107.08604	31.0
109.06518	7.4
109.10172	15.7
111.08074	4.5
117.07036	6.1
119.04935	1.5
119.08590	92.3
121.06516	3.9
121.10147	16.5
123.08083	4.6
123.11700	5.2
125.09618	1.6
128.06238	2.8
129.06999	4.0
131.08592	16.3
133.06482	2.9
133.10144	55.1
135.08072	18.3
135.11707	10.5
137.09615	7.3
139.07489	2.1
139.11253	1.8
142.07802	4.2
143.08585	10.6
144.09322	2.4
145.06493	2.2
145.10133	17.0
146.07237	3.1
147.08064	4.9
147.11699	21.8
149.09624	3.2
149.13251	2.3
151.11182	7.5
156.09363	4.2
157.10147	13.1
158.10916	3.2
159.08092	1.7
159.11690	14.0
161.09631	62.2
161.13272	3.9
169.10062	1.7
170.10951	3.0
171.11702	9.8
173.13280	21.4
175.07553	1.2
175.11205	13.1
175.14848	17.0
177.12793	4.8
179.10681	15.6
184.12514	3.6
187.11195	1.9
187.14836	5.0
188.54237	1.2
189.09113	1.3
189.12746	3.5
189.16399	20.6
191.14256	2.4
193.15976	1.7
199.14819	12.4
202.13538	2.4
217.15898	100.0
218.16246	1.4
235.09695	3.3
235.16942	93.3
235.20714	3.0
246.97011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03939	1.9
55.01861	1.7
55.05512	11.8
55.54268	1.3
57.07080	10.2
57.45720	1.5
59.04988	4.6
65.03934	2.6
66.16908	1.4
67.05506	20.7
69.03417	3.5
69.07070	14.6
69.44932	9.2
71.04601	2.1
71.04997	38.4
73.06548	2.9
79.05498	14.8
81.06585	2.2
81.07059	35.6
83.04989	7.1
83.08631	7.3
85.02909	1.6
85.06535	2.3
89.06043	10.2
91.05497	16.1
93.06480	2.4
93.07046	38.8
95.04982	14.5
95.08612	28.1
97.06525	4.5
97.10170	2.7
98.97576	4.3
99.08105	1.9
105.07034	47.7
107.04971	1.7
107.08601	81.0
109.06527	9.8
109.10159	41.4
109.78587	1.2
111.04433	1.6
111.07372	2.0
111.08084	21.4
115.05450	2.2
117.07014	4.0
119.08588	42.3
121.06516	4.4
121.10150	26.0
123.08041	5.6
123.11703	3.5
125.09636	37.7
127.11201	2.7
128.06215	1.9
129.06972	2.5
131.03148	1.5
131.08601	15.7
133.06496	1.3
133.10132	34.0
135.08070	3.7
135.11696	29.7
137.05931	2.2
137.09608	3.7
137.29834	1.2
139.03964	1.8
139.07527	3.9
143.08575	5.2
145.06459	3.9
145.10120	23.7
147.04317	1.6
147.08049	9.7
147.11697	89.6
149.09622	5.5
149.13278	5.0
151.07481	1.4
153.12784	16.0
157.10141	7.6
159.11700	10.9
160.05220	2.2
161.09665	6.7
161.13260	6.8
163.11165	5.5
165.09077	1.9
165.12801	8.2
171.11639	2.6
173.06026	2.7
173.13287	5.3
175.07574	3.0
175.11214	9.5
175.14786	10.0
179.10698	11.7
189.12764	3.1
189.16388	47.4
190.06331	1.8
193.12311	2.8
193.15918	3.1
199.14828	6.8
207.17517	2.6
214.08562	1.8
215.09369	2.2
217.08589	2.0
217.15883	40.3
218.11165	1.7
235.07547	3.2
235.09442	6.6
235.13271	2.9
235.16945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	0.9
55.05516	8.9
57.06833	0.7
57.07084	10.2
58.96117	2.0
59.04993	0.7
65.03947	1.0
67.05177	1.0
67.05511	11.7
69.03430	1.6
69.06726	1.2
69.07076	14.7
71.05003	3.7
71.39012	0.8
73.06525	1.4
77.03901	1.3
79.05502	9.3
81.03465	0.9
81.07067	30.7
83.04999	1.3
83.08630	4.5
85.06534	0.9
87.04469	0.9
91.05485	12.5
93.07054	31.2
95.04980	4.2
95.08618	50.7
97.06557	3.6
97.10162	2.5
98.97574	0.9
105.07045	33.7
107.04958	1.4
107.08611	37.8
109.06541	3.5
109.09470	1.5
109.10172	20.7
109.10918	1.0
111.08098	4.3
111.11742	1.8
113.05984	1.2
114.09319	0.7
115.05439	0.8
117.07028	1.6
119.06074	0.9
119.08601	39.4
119.68634	0.7
121.06482	2.1
121.10152	16.5
123.08082	3.7
123.11713	2.7
125.06012	4.1
125.09648	2.1
129.07060	1.2
131.08595	3.9
133.06500	1.5
133.10149	48.4
135.05322	0.7
135.08118	1.8
135.11708	22.6
137.06044	1.7
137.09581	1.6
139.07542	6.1
142.13960	0.7
143.08536	2.6
145.06499	1.6
145.10118	3.2
146.10980	0.7
147.08037	3.2
147.11707	39.6
149.09666	1.3
149.13226	2.8
151.07515	2.3
151.11142	2.0
153.09109	4.4
157.10164	3.5
159.07944	0.7
159.11682	3.3
161.09648	5.1
161.11978	1.2
161.13268	16.0
163.14961	0.7
165.09097	2.5
165.12778	21.3
171.11685	2.1
173.05907	1.2
173.13286	8.8
174.14070	0.8
175.07562	2.0
175.11296	3.9
175.14847	11.9
179.10693	13.5
179.14314	2.8
187.14803	0.9
189.09132	1.6
189.12787	3.5
189.16405	100.0
191.06999	1.1
191.18010	1.0
193.12265	2.2
199.14816	5.9
207.13823	26.1
207.17239	1.2
217.08676	1.4
217.12460	1.7
217.15904	34.7
220.25345	0.7
235.09651	2.6
235.13196	2.3
235.16957	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	235.2058
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03951	1.6
53.07357	1.2
55.05514	21.1
57.03439	11.3
57.07078	19.3
65.03937	1.7
67.05180	1.8
67.05511	25.8
69.07070	24.6
71.04977	4.2
71.08634	1.8
79.05504	13.4
81.07064	47.4
83.08627	10.2
85.06547	4.1
91.05480	15.3
93.07051	36.8
95.04939	1.7
95.08614	93.3
97.06513	5.5
97.10183	15.6
99.08074	1.8
105.07040	43.7
107.08605	47.5
109.06527	3.0
109.10166	86.8
111.08094	11.2
111.11704	5.0
113.09679	2.4
113.64960	1.3
117.07033	2.0
119.08590	49.5
121.06441	2.1
121.10152	45.1
123.08073	2.8
123.11715	27.6
125.09630	11.2
131.08588	3.6
131.97366	1.5
133.10141	40.6
135.08043	2.4
135.11703	19.1
137.09641	2.6
137.13280	8.3
139.11180	4.8
145.10138	4.3
147.08023	1.7
147.11699	45.7
149.13300	9.0
151.11220	2.1
151.14841	4.7
153.09129	1.9
155.41092	1.4
157.10263	1.9
159.11705	4.0
161.09740	1.8
161.11993	2.3
161.13266	34.3
163.14833	17.0
165.12767	2.6
175.14825	17.0
177.16412	28.1
179.10690	8.0
187.14827	7.6
189.16399	33.7
191.17955	10.1
198.19827	1.5
199.14851	2.7
205.15994	8.5
205.19565	10.6
207.17456	3.0
207.21043	2.5
217.15924	6.5
217.19530	100.0
235.13254	2.8
235.16948	55.3
235.20583	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0871
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.01865	0.3
55.03976	0.2
56.96555	1.3
57.03422	0.6
58.69784	0.2
61.02920	0.3
69.03418	0.8
69.59163	1.3
70.06621	0.3
71.04993	0.3
72.08161	0.5
73.02917	0.6
74.02036	0.4
74.02443	6.0
77.59388	0.2
79.05492	0.3
81.03417	0.5
81.07043	0.7
83.04971	0.2
85.02909	1.2
91.05493	0.5
94.06556	0.4
95.04988	0.2
97.02884	1.2
98.97589	2.5
101.00856	0.4
107.05014	0.2
109.02844	0.3
110.97569	0.5
115.02422	0.3
116.98628	0.8
118.06548	1.5
119.01886	0.7
128.04973	3.1
128.98672	0.3
130.06508	0.9
131.01900	0.3
132.04453	1.0
137.06033	0.4
143.00154	0.2
143.01924	0.5
145.03531	0.2
146.06010	100.0
147.06351	0.6
148.03928	0.9
149.01207	0.3
150.07787	0.3
153.01833	0.3
155.04572	0.2
155.54826	0.3
156.03532	0.3
157.07648	0.4
158.06024	0.7
158.99590	0.3
159.03033	0.3
161.02960	0.3
168.05013	0.4
173.02879	0.3
173.07080	0.7
174.05481	0.5
175.08675	0.4
177.00705	0.4
182.03474	0.3
188.06119	0.3
189.00804	0.3
191.02243	0.5
191.03871	0.2
191.08180	1.2
195.05032	0.2
210.03699	0.3
214.03841	0.4
214.05681	0.4
219.01749	0.3
219.05150	0.4
219.07635	2.2
232.04922	0.6
236.05234	0.3
237.02802	0.4
237.08734	6.5
237.18709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
53.03951	1.0
55.05508	6.8
55.18773	1.0
57.07071	5.7
62.61132	0.9
67.05503	5.3
69.03407	1.0
69.07066	6.2
71.53835	1.3
79.05492	4.0
81.07052	9.9
82.85220	1.1
83.04980	2.6
83.08614	5.9
91.05496	2.0
93.07049	9.4
95.04967	1.1
95.08613	26.4
97.10139	2.1
105.07040	3.2
107.04981	1.1
107.08587	15.9
109.02883	1.9
109.06520	3.2
109.10178	7.8
109.26328	1.0
111.04449	3.3
111.08085	1.8
119.08591	2.6
121.06467	2.3
121.10143	12.5
123.08070	12.4
123.11695	3.0
125.05978	4.4
125.09656	1.6
131.08600	1.7
133.10158	1.5
135.08051	2.5
135.11685	4.0
137.09607	1.5
137.13242	2.7
139.07555	6.9
141.09103	4.6
145.10115	4.5
147.11713	2.7
149.02190	1.3
149.09607	3.5
149.13286	1.5
151.07552	3.0
153.05492	1.9
153.09091	2.5
159.11716	3.9
161.13242	1.8
163.03876	1.5
163.11169	2.6
167.10747	1.1
171.69200	1.0
173.13264	3.5
177.09077	1.1
177.16292	1.3
181.05003	2.9
181.12294	2.2
191.10667	6.3
191.17923	4.4
191.19391	1.0
195.10193	4.1
201.14774	1.0
201.16348	5.6
209.11687	8.1
219.10193	3.8
219.17494	4.2
237.11252	2.9
237.14731	3.7
237.18501	100.0
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	Bicyclohumulenedione
Peak:m/z	Relative Intensity
54.04380	0.6
55.05506	3.7
57.07075	0.9
67.05502	3.2
69.07074	4.8
69.18265	1.2
69.18674	4.5
79.05486	2.1
81.07060	7.6
83.08612	2.5
88.80894	0.6
91.05467	1.5
93.07041	6.7
95.08609	20.0
97.06491	0.8
97.10172	1.4
105.07032	2.1
107.08602	11.8
109.06507	2.4
109.10179	3.8
109.78297	0.6
111.08073	1.8
113.36302	0.6
119.08548	1.7
121.06446	1.5
121.10165	6.4
123.08070	14.5
123.11697	2.8
125.05956	2.2
125.09644	2.0
131.08586	0.7
133.10136	1.2
133.99478	0.7
135.08038	2.1
135.11681	3.5
135.56650	0.6
137.09573	0.7
137.13239	2.6
139.07555	5.9
139.11180	0.6
141.09128	3.8
141.10039	0.7
145.10121	2.1
147.11711	2.0
149.09639	2.2
149.13271	0.8
151.07556	2.1
153.09091	1.0
159.11699	2.0
161.13272	1.1
163.11237	0.7
167.10800	0.8
173.13277	2.3
191.17955	4.7
201.16347	3.9
203.14293	1.2
219.17421	2.9
237.18498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1852
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03939	3.5
55.01863	3.8
55.05514	10.5
56.96553	1.4
57.03432	2.1
57.07070	3.9
58.85831	1.2
59.04995	6.3
59.17801	1.2
65.03961	2.0
67.05504	16.3
68.46433	1.1
69.03435	13.6
69.07075	10.7
69.55447	3.6
69.55875	3.5
71.05000	25.0
75.14084	1.0
79.05065	1.7
79.05500	21.4
81.07067	100.0
83.04970	4.4
83.08624	5.9
85.06538	5.3
87.37283	1.2
91.05508	8.2
93.07052	25.5
95.04973	5.7
95.08062	1.6
95.08621	20.9
97.06544	9.1
97.10173	5.4
99.08105	46.5
103.05476	1.5
105.07039	28.6
107.08599	25.8
109.06524	13.8
109.10172	29.8
111.04436	1.4
111.08076	3.0
113.09655	1.7
115.05421	1.5
117.07009	3.8
119.08572	12.8
121.06504	1.5
121.10162	21.1
123.08084	4.4
123.11729	9.9
125.09633	9.4
127.07580	23.0
127.11204	22.3
131.08565	6.9
133.10146	39.3
135.08076	2.8
135.11719	8.7
136.90100	1.1
137.09644	3.7
137.13235	1.5
139.11191	4.9
143.10675	6.7
145.10152	16.4
147.11703	12.1
149.09637	3.6
149.13278	9.9
151.11197	35.8
155.10722	7.2
155.96606	1.3
159.11732	7.3
161.13300	6.7
163.07568	1.4
163.11208	3.9
163.14902	1.4
165.12735	5.1
169.12262	4.9
173.13408	2.8
175.14862	2.3
177.12761	2.8
177.16414	1.7
179.14291	1.1
184.11403	1.1
191.14316	4.3
191.17992	2.7
201.12842	1.9
201.16435	7.3
219.10207	2.4
219.13853	4.5
219.17430	18.2
237.11066	1.5
237.14816	4.4
237.18559	18.5
237.22261	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03936	3.9
55.01854	3.2
55.05511	8.7
57.03428	2.0
57.07069	3.2
59.04990	4.4
65.03918	1.6
67.05508	18.4
69.03435	9.7
69.07076	11.0
71.05000	23.0
71.20587	2.6
73.06543	1.5
75.36058	1.3
79.05497	19.9
81.07059	100.0
83.04976	4.2
83.08602	4.5
85.06524	5.5
91.05479	11.3
93.07043	21.7
95.04971	6.3
95.08613	20.7
97.06541	6.3
97.10183	2.0
98.97572	2.3
99.08093	45.0
100.56883	1.6
105.06380	2.5
105.07036	25.8
107.08602	21.6
108.74395	1.3
109.06523	16.5
109.09460	2.3
109.10159	27.9
111.08090	2.5
117.07002	3.0
119.08592	13.6
121.06535	1.5
121.10133	17.3
123.08057	4.2
123.11703	8.8
125.09634	6.9
127.07579	21.1
127.11209	23.5
129.69930	1.3
131.08568	5.0
133.10135	37.0
135.07997	2.1
135.11705	8.9
137.09621	3.0
139.07443	1.3
139.11215	3.7
142.42642	1.3
143.10660	4.2
145.10130	13.9
147.11707	9.7
149.09633	1.7
149.13271	7.5
151.11186	34.6
155.10698	9.7
159.08182	2.5
159.11667	10.2
161.13342	7.8
163.11194	3.4
165.12761	2.5
169.12230	3.3
173.13258	3.3
175.14822	2.2
177.12767	7.8
177.16371	2.6
179.14270	1.5
191.14320	2.3
191.17938	1.8
201.16388	7.5
219.10066	1.6
219.17422	13.8
237.09047	1.9
237.11047	2.7
237.14835	4.8
237.18521	19.3
237.22183	2.0
246.44060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.72823	0.6
55.01866	3.4
55.05524	1.8
56.96556	3.4
57.03439	9.8
57.07067	1.8
58.06605	13.7
58.72545	0.7
58.99866	1.1
59.05003	0.8
61.02929	30.2
62.03229	0.8
65.03921	1.1
67.05496	3.8
69.03094	1.2
69.03434	17.5
69.07056	2.3
70.06594	4.4
70.99839	1.0
71.01344	1.2
71.04987	3.9
71.52925	0.9
72.08137	1.0
73.02925	10.6
74.06069	1.2
75.04487	1.0
77.00895	1.2
79.05491	1.1
80.05019	11.4
81.03424	5.8
81.07044	1.6
82.01466	0.9
82.99851	2.1
83.04972	2.1
84.08141	8.6
85.02910	29.3
85.06547	10.6
86.03230	0.8
86.99344	0.9
87.00815	1.1
87.04440	2.3
88.02650	0.9
91.03973	1.4
93.01884	0.9
93.07033	0.7
94.02694	0.9
95.01303	1.0
95.04965	2.1
97.02896	15.1
98.06072	0.9
98.09668	1.2
98.96944	0.9
98.97591	18.7
99.04443	4.4
100.02509	1.9
101.00887	15.3
101.02383	0.9
102.00958	0.9
102.02391	1.2
103.00665	1.1
103.02465	1.3
103.07577	1.0
107.08569	0.8
108.02370	1.7
109.01352	1.3
109.02901	3.5
111.02922	1.3
112.07619	1.5
112.96699	1.6
113.00900	5.9
113.02358	7.3
115.00620	1.0
115.02455	4.1
115.03141	0.9
115.03931	1.9
116.07098	1.6
116.98623	10.4
117.03919	1.0
117.05466	0.8
118.03560	2.0
119.01932	27.2
120.02006	2.7
120.03360	1.1
121.01669	2.5
123.02921	1.5
123.04433	1.4
126.03438	0.8
126.98774	1.1
127.02497	1.7
127.03920	9.0
128.02225	0.8
128.10738	3.0
129.01933	1.0
129.03992	2.5
129.21582	0.7
130.03688	1.4
130.08656	0.7
131.00391	0.9
131.01909	16.8
131.03461	1.2
132.01654	0.8
132.03421	3.2
133.01613	1.3
133.02530	1.4
133.03464	7.4
134.03651	1.2
134.06023	1.1
134.99667	5.8
135.03056	1.2
136.01935	0.9
136.07645	1.6
137.02864	3.1
138.03403	2.2
139.02412	3.1
139.04178	1.7
140.00200	1.6
141.00301	1.0
141.02122	0.9
141.03960	1.3
142.02948	0.7
143.01918	12.9
143.05557	1.1
144.02028	1.1
144.03413	1.3
144.10165	1.4
144.99809	3.1
145.03458	7.2
145.05064	3.6
145.05971	1.7
146.03473	1.2
147.01338	1.0
147.03091	1.0
147.05794	3.1
148.04967	0.8
149.01172	1.3
149.02904	3.1
150.09131	1.3
151.02377	1.0
151.04317	1.7
151.05997	1.8
152.07063	1.8
153.01859	4.5
153.03973	3.2
153.05750	1.5
153.55794	1.0
154.04678	1.7
154.06598	2.8
155.01904	6.3
155.05559	0.9
156.97510	1.4
157.01559	1.4
157.03473	7.9
158.01215	2.3
158.03413	1.5
159.01381	2.3
159.05038	1.9
160.01141	1.3
160.02872	1.9
160.04756	11.4
160.06613	0.9
161.01106	1.0
161.01616	1.0
161.02971	13.3
161.05528	4.2
162.02948	1.4
163.02684	1.1
163.04434	0.9
164.07062	11.8
165.02585	0.9
165.03992	1.7
167.01903	2.4
167.03488	1.0
167.07074	1.2
168.99780	2.4
169.03406	4.1
169.05310	6.8
171.01389	2.5
171.05026	2.7
172.99345	2.9
173.01582	1.1
173.02971	8.2
173.06674	1.0
174.03096	1.2
174.04398	4.2
175.02893	0.9
175.04543	5.6
176.04512	1.4
177.00728	4.1
177.02451	3.8
179.01845	1.0
180.99954	1.0
181.01752	1.9
181.03477	2.8
183.05057	5.5
185.02953	8.9
187.00928	4.6
187.02614	1.3
187.04547	3.1
188.00989	1.4
188.02487	1.1
189.02461	2.4
190.02202	2.6
190.03905	1.0
190.52301	1.0
191.00438	1.2
191.02304	1.1
191.03952	3.7
192.05591	1.6
193.03458	1.1
195.01680	2.2
195.05092	1.1
196.00946	1.6
196.09711	5.3
196.99385	1.6
197.02916	3.3
197.04784	0.9
198.98569	1.6
199.00854	2.2
199.02686	1.7
199.04424	3.7
199.07632	1.1
200.02432	1.0
200.04086	1.9
201.02505	7.6
201.04256	1.5
201.06128	1.6
202.02303	2.2
203.04012	6.0
203.94617	1.4
204.03937	1.3
205.01968	3.1
211.02704	3.5
211.04549	2.0
212.02525	0.9
213.02498	1.4
213.06061	1.1
215.00327	4.2
215.03986	2.0
216.00694	1.2
217.01845	1.2
217.05612	2.5
218.05322	1.0
218.08865	1.2
219.03558	7.2
220.03287	2.7
221.05084	3.5
223.06274	2.1
223.10838	2.1
226.96278	1.9
227.04117	1.5
229.01961	1.8
229.05632	1.6
232.06824	1.0
233.01434	1.2
241.07292	4.8
241.11795	3.4
241.15483	100.0
245.01517	1.0
245.05037	5.3
247.02876	2.8
251.02290	1.3
251.06291	1.0
259.06552	1.0
263.06024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.4
57.03445	13.9
61.02925	4.9
69.03425	1.5
70.25433	4.3
71.01356	5.2
71.05015	2.6
73.02925	6.4
75.04473	1.3
76.51637	1.2
80.05029	17.7
83.01331	1.4
85.02926	6.5
87.00848	1.9
87.04483	8.1
89.02396	6.0
97.02882	1.7
101.02390	17.0
103.03945	1.4
111.00831	2.0
113.02380	2.4
115.03940	32.0
117.02363	1.2
119.01959	1.3
124.63992	1.1
127.03902	2.1
129.01855	28.0
133.01593	1.5
133.03453	1.5
133.05008	4.8
143.03415	18.7
145.04942	2.0
146.05083	1.9
154.02359	1.3
155.05501	1.5
157.01338	31.4
161.04446	22.4
161.05588	2.4
171.02893	5.8
175.02490	1.3
189.03966	100.0
196.00946	2.0
206.04591	1.3
207.04987	8.2
212.02734	1.3
219.03505	1.7
224.07619	2.8
242.15875	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	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.2
69.40343	0.7
82.99818	0.8
93.87350	0.1
98.97581	1.6
101.00887	6.8
102.00982	0.2
107.98472	0.1
116.98631	0.7
119.01924	9.5
120.02058	0.1
122.97839	0.2
134.99890	0.6
137.02956	1.2
140.98824	1.9
157.02020	0.2
157.03331	0.1
158.99905	4.7
164.98752	0.2
165.99751	0.3
175.03088	0.5
177.00954	18.6
178.01059	0.4
182.99905	1.2
193.04108	0.2
195.01927	0.1
196.94499	0.1
197.00555	0.2
197.02896	0.2
199.03006	0.3
200.02727	0.2
201.00925	3.8
201.02396	0.3
214.95587	0.2
217.04099	3.1
219.02010	24.9
220.02165	1.5
221.02306	0.2
224.00128	0.1
225.00854	2.5
227.99702	0.2
234.00700	0.4
237.98862	0.1
238.03210	0.1
239.60226	0.1
242.03677	0.3
243.01990	12.5
244.02245	0.2
261.03064	100.0
262.03244	1.3
263.03473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.159
Annotation	Annuionone F
Peak:m/z	Relative Intensity
55.05503	4.1
57.03434	2.5
60.18700	0.8
67.05492	3.5
69.03426	4.7
69.07073	2.5
69.54357	2.0
69.54767	3.8
71.04989	2.1
73.02913	1.6
79.05478	3.4
81.03400	1.0
81.07065	7.7
83.04982	45.4
85.02902	4.0
85.06543	1.5
87.04469	1.4
91.05485	2.6
93.07045	2.9
95.04964	2.6
95.08610	9.4
97.02869	2.3
97.06554	2.6
98.97589	1.9
99.04475	1.2
99.07487	1.8
99.08098	27.5
101.05984	1.7
105.07033	3.8
107.04939	1.2
107.08596	14.0
109.06519	55.5
109.10162	2.3
111.04446	36.6
113.09648	1.6
117.07021	1.0
119.08592	7.5
121.10157	6.4
123.08069	72.3
123.11694	3.7
125.06007	2.3
125.09638	18.5
127.07536	7.1
133.10132	1.9
137.09598	2.1
137.13200	1.2
139.11243	2.1
140.04681	1.3
141.09056	4.6
142.07751	1.4
143.08582	1.0
145.04997	1.4
145.10114	1.8
147.11668	4.8
149.09622	11.0
151.07545	5.2
151.11215	1.6
155.06956	1.0
159.07982	1.0
161.13194	1.4
163.11238	2.2
165.07083	1.1
165.12759	11.4
167.10670	18.2
169.05063	1.7
169.06476	1.5
169.08633	2.2
181.12204	3.2
182.07280	3.1
185.09578	1.9
189.12740	1.6
197.05986	1.0
197.09637	1.5
198.06766	3.7
200.08301	1.1
207.13808	21.0
210.06770	1.5
212.08330	1.4
213.09106	3.8
215.10599	1.9
222.06935	0.9
225.09077	2.5
225.14856	100.0
243.06453	1.0
243.10170	21.2
243.15874	3.9
243.21255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88591	0.3
58.99860	0.4
68.98286	0.8
69.03419	0.7
69.78463	0.6
69.78869	1.1
81.03419	0.6
81.73218	0.3
82.99815	2.0
84.99606	0.4
86.99316	0.9
90.83674	0.3
90.94802	0.7
92.22763	0.3
97.01399	0.7
97.02873	1.3
98.97598	0.4
99.04420	0.6
101.00884	16.2
102.00972	1.2
102.96894	0.5
103.00654	3.0
103.02442	0.4
105.00322	0.5
106.97064	0.3
113.00899	2.3
115.02420	1.1
119.01920	20.7
120.01995	2.6
121.01665	4.5
121.02448	0.6
127.02432	0.6
127.03899	1.1
127.54656	0.3
129.00322	0.4
129.03889	0.6
131.01903	4.4
131.05582	0.5
133.03461	1.6
136.99599	0.5
137.02956	2.3
138.03017	0.7
139.02469	1.7
142.03473	0.4
142.98589	1.5
143.01897	12.5
143.03555	0.5
145.03459	3.7
147.01376	0.6
149.02983	0.4
149.96077	0.5
155.01894	2.4
157.03476	7.9
159.01447	0.4
159.71922	0.3
160.99666	4.2
161.02960	26.4
162.03075	1.2
167.01936	1.2
169.03465	1.1
171.05037	0.7
172.97745	0.5
173.02963	6.2
175.04529	5.2
177.00963	0.6
177.02817	0.4
178.01044	0.5
179.00691	16.2
179.03975	1.2
180.04036	0.7
184.04604	0.5
184.99634	1.0
185.02954	11.7
185.04601	0.7
187.04532	2.7
189.06052	0.5
191.04068	2.1
197.02986	2.9
199.00870	0.5
199.04547	1.5
201.02589	0.4
203.00879	3.0
203.04008	10.5
215.03989	2.7
217.05595	1.1
219.01990	1.0
219.03877	2.4
220.02179	0.6
221.01768	23.9
221.05162	1.1
222.01854	1.5
222.05945	0.4
226.36041	0.4
227.00661	2.2
227.04016	3.2
233.05070	2.6
236.00461	0.6
245.01842	12.4
245.05064	22.3
245.12210	2.0
261.03201	0.7
263.02875	100.0
264.03091	1.4
265.03235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71857	0.8
55.01855	1.2
56.96293	1.1
56.96567	16.2
57.03424	2.0
58.99867	2.1
61.02919	1.7
68.42764	0.9
68.98298	1.7
69.03452	5.5
70.06583	1.4
70.30451	3.5
70.98100	3.2
70.99841	1.8
71.04972	0.9
71.95260	3.2
72.96037	1.1
73.02911	2.7
81.03420	5.2
81.07068	0.9
82.06602	1.0
82.99831	9.0
83.04970	1.0
84.04497	1.5
84.96018	1.4
85.01385	1.3
85.02917	5.9
86.09689	3.7
86.99320	2.2
87.04462	1.0
89.00906	1.9
91.05444	0.9
94.99877	0.9
95.05002	1.0
97.02898	8.9
98.21523	0.9
98.97598	15.9
99.04464	1.7
101.00889	57.1
101.15418	0.9
102.00972	2.6
103.00610	1.2
103.02457	1.4
109.02883	2.7
113.00883	10.5
114.00961	1.3
115.00610	1.1
115.02437	5.7
115.92070	1.0
116.07040	1.0
116.98629	7.5
119.01930	67.2
120.01995	3.3
120.97894	1.2
121.01643	2.4
124.95456	3.8
124.99036	1.0
127.02429	7.1
127.03901	3.8
129.00397	1.4
129.03975	1.2
130.04968	1.1
131.01920	20.0
132.02008	1.7
132.06549	1.4
133.03473	6.3
134.99669	1.6
137.00847	1.7
137.02983	7.9
137.05994	1.0
139.02415	4.2
141.03957	2.1
142.96510	2.3
143.00140	2.1
143.01907	41.1
144.01920	1.0
145.01660	1.2
145.03467	20.9
146.03516	1.2
146.99629	1.6
147.01399	2.5
147.05054	1.8
149.02956	1.4
149.06586	1.0
151.04482	1.0
153.01797	2.8
155.01912	18.1
156.02600	1.0
157.03479	26.5
158.03526	1.1
159.01364	1.8
159.05037	2.6
161.02968	75.5
162.03127	1.9
163.02802	1.1
163.04471	2.4
167.01898	9.1
169.03462	4.6
170.95978	4.6
171.05002	4.2
173.02983	22.9
173.04497	1.4
174.03275	1.8
174.99142	3.2
175.02975	1.7
175.04533	15.6
179.00549	1.3
179.01910	3.8
179.04085	2.4
181.03319	1.1
184.04512	2.7
184.97572	1.9
185.02971	46.7
187.02948	1.5
187.04521	15.1
188.97083	10.8
189.06084	2.3
190.98506	1.3
191.04074	6.0
193.00168	1.1
197.02954	13.3
199.04486	6.4
201.06046	2.3
202.98637	3.5
203.02348	1.9
203.04008	31.9
204.04063	1.3
205.00266	1.1
206.98138	3.7
209.02965	1.6
215.04019	11.5
217.05640	6.6
219.03732	1.4
220.99722	2.2
221.03488	0.7
221.05112	12.3
226.05537	1.2
227.03993	9.8
230.98241	1.5
233.05070	3.5
240.06433	1.1
245.05042	100.0
245.12035	2.6
245.14813	1.4
246.05281	1.7
263.02902	4.8
263.06125	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	245.175
Annotation	Sarmentoic acid
Peak:m/z	Relative Intensity
53.03938	2.8
55.01871	4.0
55.05511	34.0
56.96548	4.7
57.03423	9.1
57.07067	10.8
59.04986	5.1
59.22204	1.7
61.02948	1.8
67.05502	15.7
69.03431	15.9
69.06739	2.4
69.07074	27.0
69.28750	18.3
71.04977	7.8
79.05489	13.0
80.05006	2.7
81.03401	6.9
81.07064	32.2
83.04984	50.8
83.08614	10.8
85.02867	4.1
85.06535	12.0
87.04469	2.8
91.05487	42.5
93.07043	19.0
95.04964	6.3
95.08613	27.3
97.02880	7.2
97.06520	11.1
97.10186	11.6
98.97596	15.4
99.04420	2.4
99.08095	29.8
101.06007	4.9
105.07034	15.8
107.04964	7.2
107.08603	39.5
109.06549	9.7
109.10159	27.3
111.04453	4.9
111.08059	8.4
113.06042	2.4
113.09647	5.8
115.05450	2.8
115.07584	14.1
116.98605	3.8
117.07056	2.9
119.08583	12.5
121.02814	2.3
121.06492	3.4
121.10148	35.4
122.05997	3.5
123.08086	3.4
123.11705	17.2
124.07571	2.8
125.08215	2.0
125.09637	36.8
127.07541	7.3
127.11189	15.8
128.06186	2.1
129.06963	4.7
131.08559	5.8
133.10117	16.3
134.99597	2.2
135.08060	9.3
135.11699	20.1
136.07599	2.7
137.09637	5.9
137.13214	3.6
139.07542	6.3
139.11147	6.2
142.03201	6.4
143.08548	8.6
143.10602	2.1
145.06477	2.8
145.10095	9.6
147.04366	2.1
147.11673	7.7
149.02309	4.1
149.09648	10.0
149.13240	8.6
151.11195	10.3
153.09120	14.2
153.12758	15.4
156.09381	3.4
157.06496	3.1
157.10130	7.2
158.99649	2.8
159.11684	2.4
161.09561	3.8
161.13223	4.3
163.11200	2.2
163.14857	15.4
165.12784	7.2
167.03406	6.4
169.12263	14.9
171.08051	4.5
171.11685	7.7
172.97639	3.5
173.13251	14.2
175.07594	5.3
177.00682	2.5
181.15810	5.7
183.13828	3.6
183.55017	2.2
185.09636	4.8
185.13280	5.3
187.11092	2.6
189.05428	3.3
189.08986	3.0
191.14352	20.8
199.14792	3.7
203.07219	2.1
203.10764	4.2
209.15373	75.4
217.08569	5.1
217.13501	2.7
222.04712	2.3
227.07089	3.6
227.10669	4.4
227.14450	5.3
227.16397	100.0
245.04572	7.6
245.08086	16.4
245.11562	17.8
245.15359	9.9
245.17317	23.3
245.22626	5.8
257.68533	2.4
263.13602	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	246.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53366	0.2
53.03941	0.6
53.65065	0.2
55.01869	0.3
55.05495	1.0
56.96560	1.0
57.03427	0.4
68.05038	0.3
69.03418	0.6
69.07066	0.8
71.04982	0.5
71.35493	0.3
73.02907	0.4
76.22217	0.2
79.05071	0.3
79.05497	4.9
80.05014	0.5
81.05799	3.6
81.07059	4.5
82.06591	0.5
83.04967	0.7
85.02904	1.3
91.05486	0.3
94.06561	1.7
95.04966	0.5
96.04483	0.4
96.08135	17.1
97.02902	0.6
98.97590	2.0
100.07616	0.5
105.07045	0.2
106.06552	2.8
107.04967	0.6
110.97536	0.3
116.98640	0.5
121.06508	0.4
123.04420	1.2
124.07597	100.0
125.07934	0.5
127.03939	0.4
128.04312	0.3
128.98566	0.4
138.95433	0.2
139.03918	0.3
143.00223	0.3
151.42506	0.3
158.99706	0.6
166.01474	0.2
168.03511	0.2
172.05086	1.9
177.00764	0.3
188.03459	0.4
197.01227	0.2
200.04538	0.9
200.07387	2.8
200.09142	0.3
213.93604	0.2
217.20055	0.2
218.05624	1.5
219.01830	0.3
225.07132	0.5
225.10104	0.2
237.02748	0.4
246.05150	3.0
246.08006	5.4
246.11302	0.7
246.24257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54631	0.5
68.80416	0.6
69.95074	1.9
98.21500	0.8
102.50749	0.5
103.00636	0.6
119.01978	0.5
121.11835	0.5
167.03110	0.6
174.83336	0.5
187.02521	1.1
229.03210	22.5
247.04274	100.0
247.07922	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45804	0.8
55.53669	0.9
60.70111	0.8
70.65887	2.1
97.77623	0.8
127.32684	0.8
160.43172	0.9
167.03162	1.3
187.02219	2.0
229.03203	25.4
247.04254	100.0
251.48166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.7
55.01865	1.6
56.96562	2.1
57.03428	4.0
61.02946	3.3
67.01868	3.2
68.60284	1.4
69.03432	48.0
69.86586	5.2
71.05002	8.6
73.02931	2.8
74.70422	1.4
79.05489	1.6
79.21297	1.4
81.03421	100.0
83.01361	1.5
84.04519	2.0
85.02908	57.3
91.05460	1.9
93.07075	1.6
97.02894	35.3
99.04456	17.6
103.03946	5.0
105.07043	2.0
109.02886	65.6
109.10065	1.5
115.03947	3.3
119.08533	1.9
120.05511	1.6
121.10160	2.3
127.03922	80.7
143.03374	1.3
145.04979	4.6
169.04977	6.0
176.14366	1.6
182.99597	1.7
187.06033	30.0
187.07684	2.5
193.15240	1.3
201.00725	2.3
229.06972	7.5
247.07990	2.0
247.13258	2.6
247.16980	2.8
247.24535	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01875	7.4
55.05507	6.1
56.96579	10.0
57.03448	10.7
57.07068	5.3
59.04990	1.6
59.94793	1.4
61.02932	13.9
61.47594	1.2
65.03954	3.7
67.05514	16.8
69.03436	55.5
69.07065	5.7
70.06600	2.0
70.98103	2.2
71.01373	2.8
71.04986	6.1
71.51514	1.5
71.53080	1.7
72.08168	6.6
72.28676	1.2
73.02924	8.7
79.05495	13.3
80.41635	1.4
81.03424	26.2
81.07069	13.2
83.04988	25.3
83.08612	1.3
84.04506	4.9
84.08150	1.7
84.96019	1.6
84.99591	1.2
85.02915	100.0
85.06553	70.3
86.09710	2.8
87.04470	4.0
91.03963	6.0
91.05503	12.8
93.07058	13.9
95.04983	28.1
95.08625	7.8
97.02910	28.6
97.06548	17.3
98.97598	15.3
98.98486	2.6
99.04469	12.2
101.00888	3.3
101.02412	2.8
102.05540	1.6
103.00661	2.3
103.03970	7.4
103.05463	1.3
104.87420	1.3
105.07014	7.2
107.04943	4.5
107.05688	1.7
107.08589	2.5
109.02900	10.5
109.06521	13.2
110.97559	1.5
111.04462	6.8
111.08080	3.1
113.06040	6.3
114.05553	1.6
115.03942	3.7
115.05447	1.6
116.98631	6.8
117.07043	4.8
118.08641	2.8
119.01931	5.0
119.04968	1.5
119.08582	8.9
121.00802	8.0
121.01698	3.6
121.06529	11.3
123.04428	6.1
123.08121	6.5
125.06009	10.6
127.00720	1.8
127.03928	25.6
127.07491	2.1
128.98656	3.0
129.07022	4.2
130.04962	1.5
130.08640	3.4
131.08470	1.6
133.00798	2.2
133.01700	2.4
133.06499	5.7
135.04456	3.9
135.08064	9.3
137.05983	3.8
139.01820	5.8
139.07530	5.2
143.01846	1.7
145.00777	1.6
145.01762	1.5
145.04997	24.0
145.06262	2.6
146.99683	1.7
147.02301	3.9
147.08064	10.5
149.06075	2.0
151.07539	7.6
152.04135	3.9
153.01854	2.1
153.05544	2.8
156.98131	3.3
157.00685	1.6
157.01816	1.5
157.03523	2.4
157.06467	1.5
158.99680	5.2
159.02306	3.5
161.02946	1.8
161.04677	8.0
163.01811	13.9
163.02919	1.8
163.06181	2.5
163.07552	12.4
165.03389	1.6
165.09119	4.4
167.00084	1.3
167.07057	3.8
169.00706	2.7
169.03467	1.3
171.02333	3.7
174.99225	3.3
175.01854	6.1
175.07565	5.4
177.00731	2.8
181.08633	2.4
187.01891	6.0
187.07433	1.9
188.08321	2.1
189.03427	10.7
189.07495	2.5
193.08609	10.4
199.01863	4.3
201.00694	2.5
203.11009	6.2
205.00160	2.7
211.09592	9.5
212.07724	2.3
215.00383	2.0
217.02794	10.2
219.01703	2.2
223.01331	2.3
229.03278	7.3
229.05284	2.3
229.10611	3.2
247.04210	36.6
247.07933	2.5
247.13602	2.3
265.05042	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05505	1.2
55.56425	0.7
58.74427	0.7
67.05489	1.3
67.91174	0.7
69.07066	3.7
69.29919	1.5
69.30331	4.4
79.05511	1.7
81.07036	2.7
83.08618	0.8
85.74832	0.7
91.05478	2.8
93.07032	4.0
95.08613	4.5
98.21596	0.8
104.99257	1.9
105.07033	8.9
107.08596	5.8
109.10135	2.1
117.07005	2.1
119.08576	6.5
121.10127	3.1
131.08578	9.6
133.10130	25.3
143.08553	0.8
145.10135	18.0
147.11653	3.3
159.11697	9.2
161.09647	0.8
161.13327	1.4
163.07581	0.9
173.13231	5.2
175.14796	0.9
177.09082	1.3
179.10667	2.9
186.14008	1.6
191.10657	2.0
199.14748	1.0
201.16388	100.0
203.17984	3.1
219.17474	3.6
229.15895	1.2
247.16948	34.2
247.20689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
55.05501	2.2
67.05508	2.9
69.07066	6.1
69.74718	2.1
71.05668	4.7
79.05489	5.7
81.07059	6.1
91.05475	4.3
93.07029	7.6
95.08623	10.1
105.07002	5.6
107.08585	13.4
109.10170	9.3
109.60112	2.1
117.07024	3.3
118.89877	2.4
119.08597	18.8
121.10155	14.8
123.11713	3.0
131.08580	7.6
133.10123	9.4
135.11690	10.3
144.55940	2.1
145.10126	8.1
147.11693	8.0
149.13234	2.3
159.11668	18.3
161.13260	5.3
171.11772	2.4
173.13292	18.1
175.14816	5.5
185.13275	2.8
186.14073	11.3
187.14848	10.6
189.16670	2.2
199.14833	10.3
214.17151	14.8
229.19507	100.0
247.20552	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	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03919	0.8
55.05501	2.1
55.19109	0.8
66.92748	0.7
67.05502	4.0
69.07060	2.8
70.88396	1.9
71.11054	1.0
79.05484	4.7
81.07052	6.2
83.08628	2.2
91.05482	2.6
93.07050	9.8
95.08613	9.3
97.10150	1.1
105.07030	7.3
107.08597	14.5
109.10169	11.3
117.07026	1.1
119.08587	25.2
121.09333	1.2
121.10151	16.0
123.11741	4.3
124.95252	0.9
131.08568	6.2
133.10146	9.1
135.11673	6.1
136.14136	0.8
145.10152	5.3
147.11713	6.2
149.13251	1.3
159.11700	11.2
160.12532	1.7
161.13251	2.7
163.14714	1.0
171.11711	3.2
172.12491	0.9
173.13274	14.4
175.14824	1.6
185.13225	3.0
186.14066	16.1
187.14845	8.9
199.14828	22.2
200.15450	0.8
201.16415	1.4
209.08362	0.9
214.17171	22.1
227.66670	0.8
229.19518	100.0
247.20596	17.6
247.24394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
58.99861	0.7
61.92247	0.4
66.60558	0.4
70.13412	0.8
70.13800	0.9
70.99859	1.9
73.02911	1.0
81.27097	0.5
82.99838	11.4
85.01402	1.6
85.02939	0.4
86.99350	0.6
88.88747	0.4
89.00916	0.9
97.01387	0.6
97.02899	0.5
101.00889	91.1
102.00946	0.7
103.02444	2.4
109.83405	0.4
113.00873	8.9
115.02473	1.0
119.01928	100.0
120.02024	0.6
124.02459	0.5
127.02437	4.5
131.01918	17.2
133.03485	0.5
137.02959	9.9
139.02412	0.5
141.00337	2.8
142.03552	1.0
143.01910	35.6
145.03476	17.1
145.04323	0.5
147.01378	1.4
149.02942	1.5
155.01884	1.7
157.03482	4.8
159.00407	0.4
159.01401	17.3
161.02969	58.4
163.04565	1.0
171.01392	13.9
173.02965	6.8
175.04543	0.9
177.02461	21.9
179.04030	1.3
183.01369	2.4
184.04634	1.0
189.02461	71.0
191.03998	3.6
201.00597	0.6
201.02451	10.0
203.04062	1.3
207.03510	13.3
212.04036	0.5
219.03522	7.7
230.05199	0.5
230.90604	0.4
231.03529	4.2
249.04582	37.7
267.05585	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	249.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76665	1.4
53.03947	1.8
53.10920	1.2
53.39809	1.7
55.01868	7.0
55.05518	8.9
56.90299	1.5
56.96568	25.9
57.03429	9.5
58.99852	2.5
59.04994	2.1
60.95855	2.0
61.02925	10.3
67.05515	3.0
67.35540	1.9
69.03431	18.0
70.98109	4.9
71.01341	1.8
71.04989	6.5
71.52989	3.0
73.02912	11.5
74.06086	4.0
80.97925	1.4
81.03406	9.5
82.99852	6.8
83.04976	5.3
84.04487	3.9
84.21901	1.6
84.96032	3.7
85.01396	1.9
85.02907	39.0
86.03250	2.0
87.04473	2.8
88.02636	2.3
88.99169	3.3
89.17481	1.7
91.03938	2.2
94.02668	2.9
95.04961	1.9
97.02899	32.0
98.97585	45.5
98.98200	3.2
99.04440	8.1
100.99139	2.6
101.00882	72.4
102.01535	2.2
102.04240	1.6
103.00629	4.6
103.02448	3.6
108.04299	1.6
109.02890	4.9
110.97552	4.2
112.99145	5.1
113.00880	5.5
113.02367	3.9
114.02451	2.0
114.04219	1.6
115.02403	2.4
116.98600	13.5
117.02131	1.7
117.03971	3.2
119.01923	100.0
120.06577	3.9
121.01640	9.2
124.99150	4.7
127.02409	6.0
127.03909	15.2
128.02296	3.1
128.98604	6.4
131.00192	3.8
131.01915	15.9
131.05560	3.3
132.03439	12.4
133.01683	2.0
133.03481	3.2
134.99631	3.1
137.02983	10.2
140.02299	1.6
143.00200	8.2
143.01895	30.2
143.05556	5.0
144.05234	3.0
145.03441	20.3
145.04958	5.8
146.04059	3.6
146.05016	5.6
146.99651	7.5
147.01404	3.0
147.03195	3.2
147.05046	5.6
149.01251	2.0
149.06552	2.3
153.01849	2.9
153.05774	42.2
153.55962	2.2
155.01886	5.5
155.04591	20.3
157.03497	11.4
158.99635	13.8
159.01402	13.0
159.03221	1.8
159.05769	4.8
161.01332	4.3
161.02956	45.3
161.06606	29.9
162.03281	1.6
162.06317	38.9
163.02759	2.2
164.05191	3.7
165.00662	4.4
168.03615	8.8
168.06316	2.0
171.01413	10.1
171.05182	2.3
173.01245	3.5
173.02962	8.0
173.57101	3.5
174.99109	3.6
175.04538	6.5
175.07654	2.8
177.00740	8.3
177.02455	12.8
177.04179	4.9
179.07628	6.4
181.03508	2.2
182.03447	2.4
183.01442	1.9
183.05074	1.8
184.04605	3.3
185.01273	2.7
185.02917	5.1
185.06665	2.2
187.04558	2.1
189.00751	10.8
189.02411	53.5
190.02640	1.8
191.02327	2.7
191.04010	7.8
200.04375	1.7
201.02426	6.8
203.02258	3.7
203.04054	8.1
203.07686	4.0
205.00246	2.1
207.01755	11.0
207.03552	15.2
209.06447	1.8
215.04192	2.1
215.07729	2.8
217.00052	2.8
219.01602	1.9
219.03514	6.7
221.05147	2.8
223.01369	2.6
226.03851	1.8
226.05637	13.5
229.05475	1.8
230.98125	2.6
231.03476	4.5
231.07358	2.6
233.05045	3.8
237.02679	2.7
240.06592	8.4
248.99136	9.9
249.04480	25.4
249.06602	5.3
249.11189	1.7
267.00330	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	249.1124
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
53.03937	0.4
55.01862	0.6
57.02173	0.3
57.03421	0.8
65.59151	0.4
67.59235	0.4
69.03423	1.2
69.98023	0.9
69.98413	0.8
73.73775	0.4
81.07053	0.4
90.71199	0.4
91.05489	5.4
93.07024	0.5
95.04965	0.5
95.08633	0.4
101.04327	0.4
103.05492	0.8
105.07038	2.2
107.04946	1.7
109.10133	0.5
114.64444	0.4
115.05447	3.6
116.06215	3.2
116.82470	0.3
117.07040	2.9
118.94881	0.4
119.08578	0.8
121.06548	0.4
121.13594	0.4
127.03916	0.4
128.06235	6.5
129.07011	15.2
130.07796	1.1
131.04907	1.4
131.05843	0.4
131.08572	14.7
132.05695	1.0
133.06519	2.5
133.10149	0.9
141.07004	6.4
142.07784	3.1
143.08572	3.2
144.05708	6.9
145.06490	5.3
146.07280	2.9
147.04408	1.2
147.08051	0.7
152.06245	1.0
153.06998	1.6
155.06058	1.4
156.05707	1.1
157.06506	8.2
158.07265	1.7
159.08063	22.6
160.05209	0.8
161.05965	2.5
161.09631	5.3
167.05014	0.4
167.07062	1.0
169.06436	1.1
169.07637	2.7
170.07289	6.9
171.04437	1.2
171.08038	5.8
171.09344	0.5
172.05220	2.7
173.05977	3.4
174.06786	2.4
175.07542	2.4
177.05560	0.5
178.06264	0.4
181.06367	0.4
184.05136	0.7
185.05888	0.5
186.06714	0.6
187.07555	15.3
188.08298	1.2
189.05580	2.2
189.09114	6.9
190.06140	0.8
191.07091	1.2
192.07712	0.4
193.08607	0.6
198.06738	1.9
199.07562	2.7
201.05457	1.4
203.07054	4.6
204.07840	10.6
205.08624	1.5
206.09419	0.7
216.07825	3.1
217.08652	1.2
218.09360	1.0
219.10172	2.1
221.07944	0.7
221.11768	2.2
231.10188	5.9
234.08911	0.7
249.11235	100.0
250.11398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
50.36504	0.9
53.03936	2.6
55.01877	1.5
55.05520	5.1
56.96558	2.8
57.03429	2.7
57.07059	2.2
59.05003	1.8
65.03931	1.1
67.05506	12.9
69.03432	10.6
69.07069	6.2
69.86243	1.7
69.86636	3.0
71.04998	4.0
75.04456	2.5
77.09779	1.0
79.05487	11.5
81.03415	2.4
81.07058	21.1
83.04993	4.4
83.08612	2.7
85.02902	4.2
85.06564	2.0
88.13189	0.9
91.05482	23.3
91.06013	1.7
93.07045	48.2
95.04962	10.0
95.08610	18.5
97.02895	3.5
97.06541	8.5
98.97585	22.8
98.98201	1.7
99.08130	0.9
99.97929	1.0
103.04829	1.0
103.05455	2.5
105.03391	0.9
105.04489	1.0
105.07035	20.9
106.09829	0.9
107.04951	3.7
107.08588	19.5
109.02905	1.5
109.06517	8.1
109.10159	7.8
110.97560	1.5
111.04446	2.3
111.08090	6.7
115.05444	5.0
116.06212	2.6
116.98602	7.0
117.07024	6.2
119.01852	0.9
119.04954	2.9
119.08581	25.4
121.06508	13.9
121.10140	21.7
123.04412	1.6
123.08062	6.1
123.11691	1.2
125.09593	1.5
127.03935	1.4
127.07540	1.0
128.06233	9.4
129.07005	19.0
130.07870	1.5
131.04941	1.8
131.08574	21.9
132.05713	0.9
133.06512	6.5
133.10127	12.7
135.04390	1.1
135.08047	7.8
135.11693	5.3
137.05992	2.8
137.09601	2.8
139.07530	1.1
141.06970	8.2
142.07767	4.6
143.08580	6.7
144.05698	8.4
145.06474	5.6
145.10138	8.3
146.07274	3.5
147.04436	1.3
147.08046	21.3
147.11678	8.5
149.05930	2.8
149.09621	5.0
149.13208	1.5
151.07524	1.9
153.06917	2.1
153.09105	1.5
156.05685	1.1
156.09369	1.3
157.06514	8.7
157.10178	3.3
158.07269	3.5
158.99651	7.4
159.08052	25.7
159.11716	3.2
160.05142	1.2
161.06006	6.5
161.09610	11.2
161.12039	0.9
161.13220	5.7
163.03963	2.3
163.14809	4.9
165.05508	5.0
165.06886	1.3
165.09132	1.0
167.07011	1.2
169.06360	1.4
169.07632	2.7
170.07266	6.6
171.08051	8.8
171.11717	2.4
172.05183	1.4
173.05997	2.8
173.13225	1.3
174.06802	2.0
175.07552	7.8
175.11211	2.2
175.14828	8.3
177.00743	5.3
177.05591	1.3
179.06982	2.0
185.09689	1.3
185.13284	4.7
187.07552	15.1
188.08319	1.3
189.05505	3.4
189.09119	12.5
189.12715	4.7
189.16425	1.9
190.06261	1.5
191.07019	1.2
193.08514	1.3
193.12230	1.2
195.11697	1.6
198.06677	1.2
198.10390	1.1
199.07590	3.2
203.07127	6.3
203.10698	2.5
203.14330	10.0
203.17967	1.1
204.07828	9.5
205.08641	5.8
213.09227	1.2
213.12726	4.2
213.16360	1.9
216.07811	2.0
217.08647	1.3
218.09457	1.3
219.01868	1.0
219.09607	18.5
219.59734	5.9
220.10394	1.5
221.11714	3.1
228.10152	4.9
228.37196	1.1
228.60225	1.2
231.10240	6.0
231.13780	9.7
231.17496	2.7
239.60991	2.9
249.11241	100.0
249.14861	26.1
249.18423	6.2
250.11461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36504	0.9
53.03936	2.6
55.01877	1.5
55.05520	5.1
56.96558	2.8
57.03429	2.7
57.07059	2.2
59.05003	1.8
65.03931	1.1
67.05506	12.9
69.03432	10.6
69.07069	6.2
69.86243	1.7
69.86636	3.0
71.04998	4.0
75.04456	2.5
77.09779	1.0
79.05487	11.5
81.03415	2.4
81.07058	21.1
83.04993	4.4
83.08612	2.7
85.02902	4.2
85.06564	2.0
88.13189	0.9
91.05482	23.3
91.06013	1.7
93.07045	48.2
95.04962	10.0
95.08610	18.5
97.02895	3.5
97.06541	8.5
98.97585	22.8
98.98201	1.7
99.08130	0.9
99.97929	1.0
103.04829	1.0
103.05455	2.5
105.03391	0.9
105.04489	1.0
105.07035	20.9
106.09829	0.9
107.04951	3.7
107.08588	19.5
109.02905	1.5
109.06517	8.1
109.10159	7.8
110.97560	1.5
111.04446	2.3
111.08090	6.7
115.05444	5.0
116.06212	2.6
116.98602	7.0
117.07024	6.2
119.01852	0.9
119.04954	2.9
119.08581	25.4
121.06508	13.9
121.10140	21.7
123.04412	1.6
123.08062	6.1
123.11691	1.2
125.09593	1.5
127.03935	1.4
127.07540	1.0
128.06233	9.4
129.07005	19.0
130.07870	1.5
131.04941	1.8
131.08574	21.9
132.05713	0.9
133.06512	6.5
133.10127	12.7
135.04390	1.1
135.08047	7.8
135.11693	5.3
137.05992	2.8
137.09601	2.8
139.07530	1.1
141.06970	8.2
142.07767	4.6
143.08580	6.7
144.05698	8.4
145.06474	5.6
145.10138	8.3
146.07274	3.5
147.04436	1.3
147.08046	21.3
147.11678	8.5
149.05930	2.8
149.09621	5.0
149.13208	1.5
151.07524	1.9
153.06917	2.1
153.09105	1.5
156.05685	1.1
156.09369	1.3
157.06514	8.7
157.10178	3.3
158.07269	3.5
158.99651	7.4
159.08052	25.7
159.11716	3.2
160.05142	1.2
161.06006	6.5
161.09610	11.2
161.12039	0.9
161.13220	5.7
163.03963	2.3
163.14809	4.9
165.05508	5.0
165.06886	1.3
165.09132	1.0
167.07011	1.2
169.06360	1.4
169.07632	2.7
170.07266	6.6
171.08051	8.8
171.11717	2.4
172.05183	1.4
173.05997	2.8
173.13225	1.3
174.06802	2.0
175.07552	7.8
175.11211	2.2
175.14828	8.3
177.00743	5.3
177.05591	1.3
179.06982	2.0
185.09689	1.3
185.13284	4.7
187.07552	15.1
188.08319	1.3
189.05505	3.4
189.09119	12.5
189.12715	4.7
189.16425	1.9
190.06261	1.5
191.07019	1.2
193.08514	1.3
193.12230	1.2
195.11697	1.6
198.06677	1.2
198.10390	1.1
199.07590	3.2
203.07127	6.3
203.10698	2.5
203.14330	10.0
203.17967	1.1
204.07828	9.5
205.08641	5.8
213.09227	1.2
213.12726	4.2
213.16360	1.9
216.07811	2.0
217.08647	1.3
218.09457	1.3
219.01868	1.0
219.09607	18.5
219.59734	5.9
220.10394	1.5
221.11714	3.1
228.10152	4.9
228.37196	1.1
228.60225	1.2
231.10240	6.0
231.13780	9.7
231.17496	2.7
239.60991	2.9
249.11241	100.0
249.14861	26.1
249.18423	6.2
250.11461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1598
Annotation	Pindolol
Peak:m/z	Relative Intensity
53.03910	0.3
55.01870	0.5
55.05496	0.5
56.96560	0.8
57.07072	0.3
59.05008	0.7
62.49812	0.3
62.65890	0.4
67.05502	0.7
69.03429	1.0
69.07079	0.5
69.56100	0.5
69.56509	1.9
71.04976	0.3
79.05489	0.7
81.03421	0.6
81.07057	0.7
83.04961	0.5
83.08645	0.4
85.02913	1.1
91.05484	5.8
92.05834	0.4
93.07059	1.4
95.04986	0.4
95.08594	1.0
97.02882	0.9
98.20814	0.7
98.97583	1.7
100.11225	0.4
103.05450	0.5
103.16913	0.3
105.00078	0.6
105.07019	2.7
107.04948	0.5
107.08586	0.9
109.10170	0.5
115.05450	2.0
116.06257	0.7
117.07003	1.7
119.08600	1.1
121.06498	0.8
121.10123	0.8
123.04454	0.7
128.06229	2.9
129.07008	6.0
130.07742	0.4
131.04890	0.7
131.08575	5.5
133.06505	1.2
133.10164	1.2
139.03961	0.4
141.06985	2.6
142.07809	1.4
143.04909	0.4
143.08553	2.0
144.05705	2.3
145.06503	1.6
145.10170	0.7
146.07330	0.8
146.08391	0.5
147.04414	0.7
147.08118	0.5
147.11633	0.4
149.09590	0.6
151.03955	0.5
151.07544	0.6
153.01830	1.2
153.06999	0.8
155.06030	0.4
156.98221	0.4
157.06511	2.8
157.10172	0.4
158.07321	0.6
158.99683	0.8
159.08063	8.1
159.09229	1.1
160.05174	0.8
160.09967	0.5
161.05966	1.6
161.09610	2.2
161.13315	0.6
169.06462	0.5
169.07710	0.8
170.07236	2.6
171.04425	0.4
171.08105	2.5
172.05194	0.6
173.06070	1.2
173.10765	4.7
174.06818	0.8
174.11528	31.6
175.07574	1.6
175.12318	6.5
176.13118	3.8
185.01326	0.4
187.07567	5.9
187.12303	2.0
188.08447	0.5
188.13091	4.1
189.05521	0.5
189.09085	3.4
189.14001	0.6
190.06262	0.5
193.08690	0.7
198.06773	0.6
199.07574	1.1
201.05521	0.5
203.07022	2.4
203.15446	42.9
204.07823	4.5
205.08527	0.5
205.16975	1.7
206.09404	0.8
216.07899	1.3
216.12566	1.7
219.10204	0.9
221.11848	1.0
229.07321	0.7
231.10158	2.5
231.14938	36.6
234.08955	0.4
249.07370	1.1
249.11293	39.3
249.15985	100.0
250.16364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.90689	0.3
53.03962	0.4
53.56467	0.4
53.56765	0.4
55.05520	8.3
57.03439	0.6
57.07102	1.8
59.05027	0.6
63.66019	0.4
63.90859	0.4
67.05522	2.9
69.07069	5.1
69.07399	0.4
69.61732	0.4
74.33649	0.4
79.05491	2.8
81.07069	5.5
83.08630	4.4
91.05487	3.0
93.07056	7.2
95.08617	12.5
97.10183	3.3
105.07043	10.1
107.08606	11.1
109.10177	10.2
111.04431	0.7
111.08101	0.9
115.49136	0.4
117.07048	0.6
119.08595	19.6
121.06521	0.4
121.10159	8.0
123.11736	1.7
125.05996	1.3
125.09621	1.0
131.08621	0.8
133.10147	24.9
135.11707	3.8
137.06079	0.4
139.07578	1.2
140.09032	0.4
145.10179	1.3
147.11707	18.8
149.09677	0.6
149.13280	2.5
151.07603	1.1
151.11206	0.6
153.09126	6.3
159.11736	1.5
160.12491	0.6
161.09697	0.6
161.13277	10.0
163.14883	1.5
163.65388	0.4
165.09164	1.3
165.12750	0.6
167.10699	6.1
171.11720	0.4
173.13281	0.7
174.14047	1.4
175.11244	0.4
175.14833	3.4
179.10600	1.9
188.15567	0.6
193.12280	1.5
203.17979	100.0
205.19524	4.9
221.19020	6.7
226.04492	0.8
231.17473	3.2
249.11292	0.6
249.18512	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	251.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01870	2.6
56.82286	0.7
56.96573	6.5
57.03440	6.1
57.53251	0.7
58.99867	3.1
59.04989	0.9
61.02931	10.4
64.68044	0.7
67.05502	0.9
68.98277	0.9
69.03436	10.9
69.95083	1.5
69.95475	1.6
70.98112	0.7
70.99872	4.3
71.04992	3.0
73.01391	1.3
73.02935	6.1
75.04451	1.1
75.77547	0.7
77.00916	1.2
81.03423	6.4
81.06993	0.7
82.01451	30.6
83.01425	0.8
83.04978	1.0
85.01463	0.7
85.02911	24.0
86.99349	1.1
87.04472	1.9
88.02702	0.8
88.99120	0.7
89.00882	2.0
91.02448	1.4
91.03951	1.3
91.05476	0.8
93.05544	1.1
97.02292	1.1
97.02898	16.9
98.97603	4.1
98.98476	27.3
99.04438	2.1
100.02491	42.4
101.00907	6.2
101.02384	1.0
101.03463	1.1
102.00952	1.0
103.00631	7.0
103.02441	1.7
108.04243	1.7
108.97707	1.0
109.02903	3.2
110.04002	1.0
111.02927	1.0
111.04411	1.0
113.00833	1.7
113.02341	1.4
115.00610	0.9
115.02411	3.5
115.03859	0.8
116.03966	2.2
116.98643	0.9
116.99486	0.8
117.02229	0.9
118.03519	7.8
119.01931	8.2
120.02081	1.1
121.01683	12.6
122.03911	1.3
124.95419	1.0
125.00809	0.7
125.04505	1.4
126.98785	13.7
127.03919	7.5
128.98657	0.7
129.00343	0.9
129.03960	3.6
130.03743	1.0
131.01897	1.5
132.03461	4.6
133.01683	2.2
133.03442	6.4
134.03644	1.0
135.03218	1.1
139.02600	1.1
139.04190	1.7
140.04985	1.0
141.01167	1.0
141.03943	1.9
143.01938	3.6
144.02000	0.9
144.99835	18.5
145.01680	2.8
145.03503	2.2
145.04919	3.9
146.05014	1.7
146.99638	1.1
147.01379	1.3
147.03212	2.4
147.05028	10.1
148.03816	3.6
150.00371	3.0
150.01802	1.9
152.05028	3.5
153.03963	1.1
154.04735	1.8
154.05833	0.8
154.54848	1.3
154.98241	5.6
155.01892	2.0
155.04594	1.5
157.03506	3.2
158.03615	1.4
158.99640	1.4
159.01372	2.0
159.03304	1.5
159.05037	6.2
160.54861	1.9
161.01170	1.8
161.02893	2.8
161.05559	62.2
161.55634	3.5
163.00996	1.6
163.02724	5.7
163.03992	0.8
165.06084	0.8
168.01439	14.2
169.55336	1.9
170.06116	22.9
170.56142	1.6
171.05028	3.5
172.99341	39.0
173.00858	1.5
173.02969	2.1
174.99249	2.0
175.02789	1.4
175.04514	2.0
177.00999	1.2
177.02444	6.6
177.04054	1.7
177.06070	5.5
177.99838	6.5
179.02174	1.8
181.56891	3.3
182.67751	0.7
183.04961	1.6
185.06538	0.8
186.99234	1.4
187.00882	4.8
187.02335	0.9
187.04529	0.9
189.00734	0.9
189.02353	0.9
191.00388	13.0
191.02252	6.8
191.03903	1.1
195.07146	2.1
196.00938	100.0
197.01282	1.1
198.02721	1.6
200.04227	1.4
203.02185	0.9
203.03996	1.0
205.00192	1.8
205.01944	7.3
209.03194	2.0
210.02431	4.9
214.01987	30.0
219.02533	3.3
219.05049	0.8
219.07155	16.7
221.03104	1.3
221.05107	1.3
223.03033	1.4
228.03549	49.9
231.07182	3.9
242.05634	0.9
242.08206	3.6
243.57944	0.9
246.04547	5.5
249.08322	1.1
251.04732	4.7
251.08661	1.2
261.08368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01865	3.2
56.96557	2.6
57.03444	6.4
58.99855	3.1
59.05006	2.0
61.02931	9.2
61.90913	1.0
62.42086	1.0
68.04993	1.0
69.03434	14.1
70.99866	1.7
71.01337	1.3
71.04993	5.0
71.52576	1.9
73.02928	7.8
77.00896	1.7
81.03436	6.1
82.01450	16.4
83.04999	1.4
85.01412	2.1
85.02914	25.5
86.03241	1.5
86.99352	1.2
87.04459	1.9
89.03487	1.0
91.02509	1.6
91.03963	1.7
92.02936	1.2
95.03458	1.6
95.04967	1.5
97.02306	2.1
97.02901	20.1
98.98475	100.0
99.04465	4.7
100.02489	32.8
101.00890	5.2
101.02409	1.2
101.03456	1.3
102.00986	1.1
102.02403	1.6
102.15591	1.1
103.00620	5.0
103.02463	5.9
107.03444	3.6
108.04230	1.4
109.02918	3.4
110.03986	1.5
113.00904	1.5
113.06028	3.3
115.02422	4.7
116.03992	1.6
116.99492	2.2
117.04041	1.9
118.03538	10.2
119.01933	10.7
119.04970	1.4
120.02068	1.9
121.01680	13.4
121.03411	1.5
126.98783	5.8
127.02415	1.4
127.03932	8.0
129.04019	3.6
130.03685	1.2
131.01903	3.4
132.03468	1.5
133.01691	1.7
133.03462	5.8
134.03578	1.6
135.05032	1.2
137.02913	1.5
139.02647	1.6
139.04262	9.3
141.03978	3.6
143.01930	4.8
144.99835	15.3
145.01599	2.2
145.03497	7.3
145.04964	3.0
146.03539	2.5
146.04977	3.0
146.99654	1.6
147.01404	1.2
147.03206	3.9
147.05008	6.2
150.00417	1.6
152.04938	4.5
152.55067	1.1
153.04126	1.5
154.04741	2.6
154.54865	4.0
154.98189	2.9
155.01912	1.8
155.04576	2.0
155.05656	1.4
157.03520	2.8
158.03609	2.3
158.99713	1.2
159.01407	1.8
159.03143	1.2
159.05005	5.8
160.54854	1.6
161.03004	2.5
161.05547	64.6
161.55658	4.2
162.03111	1.2
163.00885	2.0
163.02686	3.8
163.05353	1.9
163.55383	3.3
164.05194	1.3
168.01445	12.1
169.03371	1.3
170.06117	14.7
171.01485	1.2
171.04959	2.4
172.99348	27.6
173.00929	2.2
173.02902	1.8
174.99298	5.0
175.02464	1.1
175.04504	2.7
177.02461	4.5
177.04303	1.4
177.06033	7.5
177.99809	2.8
179.02180	2.1
181.56894	2.8
184.04886	1.5
185.03076	1.7
187.00893	4.0
187.02528	2.4
187.04367	1.0
189.02449	4.1
191.00391	12.8
191.02255	4.8
193.03769	1.7
195.07159	2.4
195.83981	1.0
196.00937	74.2
199.04543	1.3
203.02254	1.2
203.04066	2.3
205.00227	2.0
205.01958	5.4
205.03658	1.8
207.03455	1.5
209.03328	1.3
210.02502	3.2
212.05182	1.2
213.99944	1.7
214.01990	26.5
214.03937	1.9
219.07141	13.1
223.06720	1.1
228.03557	32.2
231.07060	2.3
233.01468	4.6
233.08228	2.1
242.05292	1.1
246.04752	3.4
251.02429	6.8
251.04819	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	251.1645
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.01864	0.7
55.05523	3.0
56.96572	0.9
57.03450	1.0
57.07074	1.6
59.05001	1.6
67.05508	4.3
67.23956	0.6
69.03421	2.1
69.07067	4.3
69.70125	1.4
69.70538	2.2
71.04999	5.9
79.05508	3.0
80.04765	0.6
81.07075	6.2
83.04986	1.8
83.08617	2.3
85.02905	1.8
85.06566	2.2
91.05505	3.0
93.07044	6.0
95.04979	3.9
95.08627	7.5
97.06531	2.8
98.98476	100.0
99.04494	0.8
105.07043	5.4
107.04969	1.0
107.08601	6.2
109.06524	2.6
109.10189	4.7
111.08131	1.5
113.06006	1.2
115.05445	0.9
116.99524	2.1
117.07060	0.9
119.08595	6.6
121.06552	1.0
121.10151	4.2
123.08086	2.0
123.11709	1.6
123.79649	0.7
125.05972	1.5
125.09634	0.7
129.06972	0.9
131.04970	0.8
131.08588	2.9
133.06480	1.9
133.10120	3.5
135.08084	2.2
135.11734	1.5
137.05997	0.8
137.09656	4.5
139.07524	0.7
140.01151	1.0
143.08598	0.9
145.10150	3.9
147.08070	5.8
147.11652	3.2
149.09631	2.0
149.13290	1.2
151.03937	0.8
151.07571	0.9
157.10170	1.2
159.08090	1.1
159.11732	2.0
161.06020	1.1
161.13260	1.2
163.07605	1.2
163.11171	4.7
163.14877	0.9
165.09079	0.8
171.11798	0.9
173.09673	1.1
173.13269	2.0
174.99272	5.1
175.11263	1.5
175.14937	0.9
177.12828	1.1
178.07552	0.9
179.14366	2.6
181.12267	2.0
187.11214	0.7
187.14793	1.9
189.12711	0.7
191.07100	1.4
191.10718	1.1
191.14349	1.4
193.08649	0.7
205.08562	1.0
205.15915	2.4
209.13405	0.7
215.14368	2.4
221.15526	0.7
223.07268	0.7
233.08119	0.8
233.11761	0.9
233.15366	8.1
233.19057	1.9
251.07101	1.3
251.12720	1.1
251.16367	15.1
251.20129	2.6
251.58078	0.6
262.87701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1231
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
52.63340	0.5
55.01859	1.6
55.05492	0.8
56.77295	0.5
56.96556	1.2
60.04512	0.8
67.05481	1.9
69.03410	2.6
69.07052	2.1
71.04979	1.0
71.54576	0.9
72.78706	0.6
79.05514	3.1
79.56744	0.7
81.07065	1.6
85.02897	2.1
87.04420	0.7
91.05476	2.5
93.07063	3.1
95.07623	0.6
95.08582	2.0
97.02891	2.1
98.97596	5.1
98.98477	7.8
103.05455	2.6
105.07034	27.9
107.08599	2.9
108.08857	0.9
109.10157	1.0
110.97572	0.9
111.04456	0.9
112.99152	0.6
115.03941	0.9
115.05456	5.2
116.98614	1.5
118.04163	1.6
120.45107	0.6
124.99173	0.7
128.98593	0.7
131.04903	1.3
132.05653	1.0
132.08119	1.0
133.06496	28.6
133.10129	0.7
135.11685	1.8
137.28926	0.6
143.00169	0.9
143.06020	2.0
149.05933	0.7
158.99670	1.7
160.07571	20.3
161.05978	36.9
167.07068	3.9
174.05417	0.7
175.14792	0.6
176.03358	0.9
178.06207	1.7
179.08641	0.6
186.07240	1.2
188.07013	3.2
191.09410	22.5
192.10048	0.7
193.08606	43.7
195.07764	1.5
199.03000	0.6
206.08104	8.7
206.09886	0.9
208.09662	2.4
210.11256	7.7
219.01779	1.9
219.08913	6.8
220.09724	2.0
222.07582	2.7
222.12489	0.6
234.11862	1.0
236.09138	1.0
237.02785	0.8
237.09953	10.7
243.08887	0.9
252.09502	7.8
252.12300	100.0
253.12546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01882	1.2
55.05506	2.2
55.10146	0.6
56.96331	0.6
56.96556	3.3
57.03423	2.0
57.07075	0.9
59.04999	2.8
59.31394	0.7
61.02918	3.1
67.05495	1.9
69.03436	6.6
69.07062	1.8
70.06583	0.7
70.18172	2.5
71.05000	2.1
73.02928	0.9
73.06560	100.0
79.05490	0.8
81.03413	2.3
81.07068	2.2
83.04982	1.4
84.08180	0.8
85.02908	21.9
85.06544	0.8
91.03971	0.7
91.05490	1.7
91.07594	6.1
93.07056	1.6
95.08613	1.2
97.02905	5.9
97.06557	0.9
98.97621	3.3
98.98471	75.8
99.04439	1.4
100.98867	0.9
105.07050	1.0
107.04980	1.1
109.02893	3.2
109.10171	1.6
110.16917	0.6
110.97606	0.9
111.04443	0.7
112.99219	0.9
116.98624	1.6
116.99477	1.5
119.04937	0.7
121.06539	0.6
123.04459	1.1
127.03927	4.9
131.00165	0.6
131.04845	0.7
145.04991	3.3
147.04399	0.8
153.01897	3.8
158.99695	1.1
161.05974	0.7
162.05492	1.0
165.05530	2.1
167.07059	0.9
174.99245	2.1
176.99008	1.8
179.07063	1.1
197.11783	2.7
208.04907	1.1
217.05254	0.6
219.01793	1.1
221.19667	0.7
227.02295	1.8
235.10715	0.8
237.02797	0.7
253.06636	1.3
253.12013	2.7
253.15247	0.6
256.02606	1.2
271.05002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01869	2.1
55.05519	8.0
56.96567	2.9
57.03441	6.2
57.07074	0.6
59.18134	0.4
61.02931	8.9
61.78014	0.4
65.03963	0.5
67.05514	1.2
69.03436	17.8
69.07076	0.7
69.75753	2.8
71.05009	3.0
73.02926	4.6
73.06564	34.6
81.03423	7.0
81.07049	0.8
83.04990	0.9
84.96038	0.6
85.02914	100.0
87.04481	2.6
91.03960	4.6
91.07598	0.5
97.02901	23.0
98.97585	4.3
98.98475	35.7
99.04472	4.3
100.22639	0.5
101.00924	1.1
101.02428	0.9
103.03972	0.7
105.07097	0.5
108.39337	0.4
109.02891	9.6
110.07157	0.6
111.04440	0.6
111.08118	0.4
112.99193	0.8
113.00851	0.5
115.03956	1.2
116.98659	1.3
119.01942	2.1
120.08078	2.5
123.04504	0.7
123.05500	0.4
127.03934	22.7
128.98607	0.6
131.01903	1.6
136.93172	1.0
141.05476	0.7
143.01920	1.3
143.63937	0.4
145.04977	27.9
150.05566	1.0
151.03955	0.4
153.01851	2.6
153.04037	0.6
154.94205	0.7
158.99739	1.2
161.01306	0.6
161.02977	1.6
161.04582	0.6
163.06030	4.7
173.03064	0.9
174.99251	1.4
176.98979	0.7
177.00697	0.5
185.03053	0.6
190.01222	0.7
195.11392	0.5
197.11754	0.5
200.98422	1.4
202.01190	1.1
209.04799	0.5
212.04382	0.7
218.99678	0.5
223.01616	0.8
229.01511	2.9
230.03456	0.6
230.08966	0.8
247.02649	1.9
253.08583	1.0
253.12326	1.1
254.16603	0.5
257.00934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.4
56.96556	1.8
57.07055	2.7
67.05510	5.1
69.03403	1.1
69.07058	3.8
71.04990	4.2
71.54433	1.6
79.05472	3.9
81.03403	1.1
81.07070	6.1
83.04980	1.2
85.06527	1.1
91.05471	4.4
93.07048	14.1
95.04960	3.4
95.08593	8.1
97.02822	1.1
97.06519	2.0
97.10232	0.9
98.98471	87.8
99.04458	1.1
100.98914	1.6
104.25448	0.9
105.06498	1.0
105.07045	11.1
107.08601	8.1
109.02946	1.3
109.06516	2.1
109.10172	8.6
119.08585	37.2
121.06468	1.3
121.10151	47.0
123.08057	2.9
123.11677	1.9
131.08585	1.1
133.06419	0.9
133.10135	7.4
135.08054	2.8
135.11678	2.5
137.05960	4.1
137.09595	1.2
137.13274	1.2
139.03903	3.1
141.05501	1.1
145.10150	2.1
147.11691	6.6
149.09666	1.1
151.07509	1.4
153.09068	1.1
159.11629	1.4
161.11980	1.7
161.13268	25.6
163.14815	2.3
165.06981	0.9
165.12759	38.3
167.08569	1.1
169.10143	1.1
171.11674	1.3
174.99219	2.6
175.11185	1.5
175.14796	1.6
176.98923	1.9
179.10696	1.2
179.14330	22.9
189.12784	3.2
189.16418	1.9
193.06522	1.2
193.12238	1.3
197.11682	1.7
207.13811	100.0
217.15874	1.0
225.09094	1.6
225.14629	1.2
235.13261	4.9
235.16948	3.0
253.08607	3.0
253.12242	2.3
253.14349	2.1
253.17757	1.2
253.19762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05507	6.5
56.96567	3.3
57.03410	3.5
57.07070	5.4
59.05006	4.2
62.30645	2.2
65.03938	4.8
67.05511	41.8
69.03435	4.9
69.07076	14.5
69.25163	2.3
69.25457	21.1
71.05001	40.1
73.06546	2.5
79.05509	12.0
81.07066	29.7
83.08622	5.5
83.43505	2.1
85.02936	2.3
85.06526	4.5
87.08116	2.7
87.30235	2.2
89.06031	4.3
91.05487	9.7
91.80168	1.9
93.07063	24.5
95.04977	45.7
95.08599	19.1
97.02878	2.7
97.06550	5.6
97.10189	2.7
98.97607	5.1
98.98476	100.0
99.08106	5.0
103.42274	2.1
105.07047	30.6
107.08607	39.8
109.06519	4.8
109.10165	93.4
111.08086	5.4
114.75480	2.2
117.07041	3.6
119.08592	32.9
121.06517	4.2
121.10159	29.3
123.08066	4.4
123.11716	5.7
125.09639	26.4
127.11203	4.4
131.08609	6.5
133.10133	15.7
135.11711	21.5
137.05988	5.9
137.09619	6.9
139.03966	5.5
142.82806	2.5
143.08598	4.8
145.10126	22.6
147.08128	4.9
147.11705	49.4
149.09639	5.3
149.13264	6.7
153.12750	21.3
157.10219	5.3
158.94615	2.4
159.11713	8.3
161.09616	6.4
161.13248	3.6
162.06267	3.2
165.12744	8.4
171.11780	2.4
174.99258	3.8
175.11201	6.4
175.14821	8.7
176.98967	2.8
177.12749	3.3
179.10585	3.4
189.16443	24.4
191.17987	7.8
193.15910	12.0
194.08910	2.8
196.08632	6.4
199.14839	3.9
207.17503	7.7
217.15913	24.3
235.13365	4.9
235.16942	47.1
238.06300	2.5
253.08607	8.5
253.12633	6.1
253.17874	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	253.18
Annotation	Uvidin A
Peak:m/z	Relative Intensity
55.05501	2.6
55.47135	1.1
56.96566	1.9
57.07065	2.8
57.38471	1.2
61.07440	1.1
65.55574	1.1
67.01197	1.1
67.05509	6.5
69.03442	1.3
69.07061	3.7
71.05006	1.4
79.05501	3.6
81.07055	18.4
83.04984	2.9
83.08627	2.2
91.05479	3.4
93.07055	2.0
95.04951	1.4
95.08614	19.8
98.98473	100.0
101.43150	1.2
105.07027	4.6
107.08587	5.6
109.06454	1.3
109.10157	10.5
111.08061	2.3
113.05992	3.0
119.08591	5.8
121.10159	5.2
123.10826	2.2
123.11718	40.4
129.05455	5.6
133.10126	7.3
135.11697	4.9
137.13254	3.0
139.07545	3.9
139.91338	1.1
143.08632	1.8
147.11679	1.9
159.11691	1.9
161.13274	9.4
169.10168	1.8
174.99261	2.4
176.98933	2.3
183.11719	1.6
185.13298	1.3
189.16449	2.8
197.11736	2.3
207.17351	2.2
217.15837	2.6
235.16928	39.6
253.14038	2.2
253.18033	10.6
253.19997	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	254.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78001	1.5
56.96572	7.4
61.02919	6.7
61.62657	1.6
66.89980	1.5
69.03426	2.6
69.87317	3.4
69.87726	5.2
71.01348	6.0
73.02918	2.3
75.04191	1.3
75.04491	15.6
75.87974	1.6
81.03410	1.8
81.07046	1.9
85.02909	3.6
87.04454	3.7
89.02411	2.8
97.02895	1.8
98.21404	2.2
98.97585	8.0
98.98476	12.3
103.03948	16.8
116.98624	2.1
123.04424	2.3
131.03397	5.5
132.75056	1.5
153.01913	2.4
159.02917	56.7
160.43913	1.6
162.05411	2.1
176.07066	2.1
177.00635	1.8
183.54773	1.7
187.02409	4.2
208.09779	1.7
219.05022	100.0
234.04741	2.2
254.10216	2.7
254.13980	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03933	6.4
55.01862	3.6
55.05517	24.3
57.03440	52.2
57.07051	4.7
61.71963	1.8
67.05510	75.8
69.03413	4.3
69.07071	25.6
71.01353	11.1
71.05001	8.5
79.05498	66.8
81.03437	9.7
81.07064	36.4
83.04987	21.2
83.08628	10.6
85.02872	4.0
85.06528	5.4
91.05480	26.4
93.07051	77.4
95.04967	8.7
95.08609	14.9
97.02880	9.6
97.05462	1.6
97.06543	22.5
97.10180	17.2
98.21487	7.3
98.98473	27.1
99.04476	1.8
99.08082	4.2
100.33700	1.8
105.07035	8.1
107.04936	3.0
107.07877	2.8
107.08603	53.7
109.06525	1.8
109.10152	10.5
111.04452	2.9
111.08048	3.0
113.36727	1.6
117.06995	7.1
119.08593	12.7
121.06493	2.2
121.10149	12.9
125.09643	5.0
130.07787	2.0
131.60986	1.7
133.10118	7.0
135.11705	100.0
137.09598	2.5
143.08519	2.5
145.10120	20.9
153.12750	3.8
157.10126	1.9
163.11185	16.6
181.12251	25.2
199.13156	2.9
223.12296	5.3
229.46216	1.8
229.98769	2.6
255.06622	12.5
255.10361	2.6
255.15866	72.2
255.21159	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03935	4.1
55.05508	20.1
57.03435	46.0
57.07073	8.7
67.05505	72.8
69.07069	22.2
70.73383	6.9
71.01352	7.3
71.04993	6.4
78.71980	2.7
79.05063	4.5
79.05494	57.6
79.14669	3.1
81.03405	6.3
81.07061	34.2
83.04969	13.7
83.08617	7.6
85.06549	5.9
91.05492	22.1
93.07047	74.6
95.04978	6.4
95.08598	11.3
96.12888	3.8
96.13603	3.0
97.06531	24.9
97.10186	18.5
98.98448	13.4
99.08097	4.5
105.07030	6.9
105.37701	3.2
107.08600	48.3
109.10142	7.5
111.08077	4.0
117.06995	5.3
119.08602	11.7
121.10151	11.0
133.10083	5.1
135.11703	100.0
145.10141	17.2
153.12730	4.4
163.11221	12.6
181.12271	22.1
255.06456	10.0
255.15898	59.8
255.21078	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	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75261	0.3
52.69761	0.3
55.01877	2.2
56.34414	0.3
56.74489	0.3
57.03441	5.0
61.02920	1.2
69.03434	2.5
71.01340	1.0
71.52432	0.4
72.99026	0.3
73.02926	2.5
80.05018	1.0
85.02916	4.1
87.04474	0.6
90.46286	0.3
96.04487	0.5
97.01351	0.4
97.02895	1.9
100.02512	0.3
101.00893	1.1
103.03953	0.8
109.02865	0.4
114.05495	0.7
115.02427	1.0
115.03921	1.8
116.51305	0.3
119.01935	0.7
124.03962	100.0
127.03946	0.6
127.05004	0.4
131.01880	0.4
133.03445	0.5
133.04984	4.3
143.01945	0.8
145.03453	0.4
145.04990	0.6
155.01888	0.3
155.08177	1.6
157.03484	0.5
160.04758	0.5
161.05551	0.5
167.86359	0.3
169.03540	0.3
169.05231	0.5
169.14389	0.3
184.04747	0.6
189.02460	0.5
189.04048	0.4
197.02957	0.4
233.01437	1.9
251.02525	1.7
256.03091	2.4
256.08322	1.1
256.12946	0.7
274.04193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01886	9.0
55.05476	0.9
56.96550	4.2
57.03193	1.3
57.03443	17.5
58.99863	2.8
59.04990	4.4
60.51210	1.0
60.63547	0.8
61.02930	10.8
62.25331	1.0
69.03440	10.0
69.76346	4.5
71.01354	5.4
71.04985	4.4
73.02932	10.3
80.04995	1.1
81.03416	4.2
82.01452	3.8
83.01348	2.4
83.05010	2.1
84.04488	1.4
84.96017	0.9
85.02915	27.5
87.04482	8.6
89.02387	4.2
97.01411	6.9
97.02899	14.0
98.97588	4.0
99.02951	2.8
99.04445	3.4
100.02509	6.1
101.00891	8.3
101.02385	11.6
103.00606	1.2
103.02457	1.7
103.03893	1.8
106.67838	1.0
109.02874	3.0
111.00826	1.6
111.02975	1.3
113.00861	1.8
113.02345	2.8
114.05544	1.4
115.02448	16.9
115.03936	18.4
117.04008	8.1
118.03552	1.2
119.01925	9.5
119.03397	1.2
124.03967	100.0
125.00816	1.4
127.02406	2.3
127.03923	7.1
127.04795	1.2
129.01854	19.1
129.03914	1.2
131.01894	3.2
131.05569	1.5
132.03453	1.8
133.01605	1.7
133.03464	7.7
133.04965	8.0
135.05037	3.1
137.03003	1.3
139.04190	1.5
140.05602	2.5
141.01823	1.1
141.04132	1.1
141.05441	1.2
143.01915	8.4
143.03400	11.5
144.99823	1.6
145.03462	7.9
145.04999	6.9
147.01370	1.4
153.01804	2.5
153.05794	9.3
155.08138	2.9
157.01352	16.3
157.03426	7.6
157.04659	1.3
158.06680	1.8
160.04781	14.4
161.02979	6.0
161.04466	15.1
161.05591	2.3
162.06337	2.7
163.04558	1.7
163.06055	2.1
164.08264	1.1
166.03519	1.2
168.05110	2.3
168.54535	1.4
169.03337	2.3
169.05354	10.9
170.06105	1.2
171.01390	6.3
171.02907	7.3
171.55524	1.2
173.02939	3.1
174.99216	1.2
175.02917	1.1
175.04550	3.8
184.04578	4.1
185.03017	1.6
187.00861	2.3
187.04556	3.6
189.02438	6.7
189.03957	52.3
194.03009	1.7
196.07294	1.4
203.03738	1.4
203.05533	18.3
207.03468	2.1
210.02544	2.6
212.04022	6.7
215.00406	3.7
221.06699	6.9
230.05205	1.9
233.01465	31.0
233.05020	1.7
247.05588	2.2
251.02516	32.2
256.03055	43.7
256.12003	2.9
274.04105	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	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86553	0.3
52.35376	0.3
53.03957	0.4
55.01880	3.9
56.96580	0.4
57.03443	7.8
58.99871	1.4
59.05008	1.5
61.02940	2.4
63.66485	0.3
65.08996	0.3
65.11979	0.4
69.03436	4.2
70.35688	1.1
71.01364	1.8
71.04998	1.5
73.02925	4.7
75.09630	0.3
77.00904	0.5
77.33810	0.3
79.74410	0.3
80.05029	0.8
81.03430	0.6
82.01462	1.3
82.99867	0.5
83.01362	0.6
85.02913	8.0
87.04480	2.5
87.84554	0.3
89.02406	0.8
91.03963	0.6
96.04512	0.6
97.01403	4.2
97.02898	4.0
99.02962	0.8
99.04464	0.7
100.02493	3.5
101.00897	3.3
101.02385	4.9
103.02456	0.6
103.03971	1.2
109.02902	0.5
111.00765	0.7
113.00887	1.1
113.02380	0.9
114.05588	0.4
115.02452	12.4
115.03928	6.6
117.04005	2.7
117.07181	0.3
118.03570	1.7
119.01930	4.6
123.02953	0.4
124.03967	100.0
125.00848	0.6
127.02432	1.0
127.03934	1.5
129.01862	5.1
129.05458	0.3
131.01913	1.5
131.03430	0.5
133.03485	6.7
133.04970	5.4
135.05040	1.5
137.03046	0.4
138.04047	0.4
140.05598	0.8
142.03548	0.5
143.01942	2.9
143.03419	2.7
145.03442	2.7
145.04980	1.2
147.05017	0.5
153.00362	0.4
153.05806	0.5
154.03470	0.8
155.01851	0.4
155.08092	0.7
156.05054	0.4
157.01344	4.4
157.03485	1.0
158.06673	0.7
159.01416	0.6
160.04776	2.5
161.02994	3.2
161.04478	5.2
161.05539	0.4
163.04607	0.6
163.05896	0.5
166.03494	0.6
168.05055	0.5
169.03528	0.9
169.05313	3.2
171.01421	5.4
171.02916	1.6
173.03038	0.6
175.00815	0.4
175.02382	0.4
175.04506	1.3
177.02591	0.4
184.04597	1.3
185.03015	0.4
187.00932	1.3
187.04565	0.8
189.02452	5.3
189.03975	14.2
194.03036	1.4
196.99336	0.8
203.05534	3.7
205.01984	0.7
207.03476	2.6
207.05089	0.4
212.04048	7.5
215.00392	2.0
215.04025	0.4
221.06723	1.7
224.07756	0.4
230.05164	2.3
233.01457	20.1
238.02028	1.1
245.05159	0.7
247.03018	0.4
247.05435	0.4
251.02524	29.7
256.03052	35.3
256.15454	0.4
256.26370	0.9
257.06305	0.6
274.04099	17.3
279.04672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03438	5.7
59.07919	0.4
70.81367	0.5
70.81703	0.9
75.04482	2.6
78.52861	0.4
79.05501	3.1
91.05463	1.1
94.04186	1.1
97.02879	0.6
98.97595	1.1
103.05435	1.9
105.07037	29.7
107.04965	2.9
109.06532	1.5
115.05457	1.1
117.07040	0.7
122.03650	3.4
124.05202	0.7
131.04875	0.7
133.06496	50.3
135.04364	1.0
135.08040	0.8
136.05190	0.7
137.02373	1.2
137.05981	100.0
150.06767	0.9
151.07507	0.6
158.99782	0.4
160.29013	0.5
163.07533	3.8
165.09126	25.5
175.07570	3.3
175.11192	0.7
177.09160	1.2
179.06985	0.5
179.12245	0.4
181.08586	2.2
182.09430	0.8
183.10170	7.5
203.10677	1.7
209.11739	0.7
221.11713	3.0
239.12814	1.2
253.98882	0.4
257.04251	0.7
257.13876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58493	0.5
55.01861	1.4
57.03440	5.9
60.87745	0.4
64.44389	0.4
70.81628	1.1
75.04472	3.3
78.62770	0.4
79.05487	2.8
91.05484	1.0
94.04176	0.6
103.05467	2.0
105.07032	28.8
107.04946	2.6
109.06570	0.6
115.05443	0.7
117.07033	1.0
122.03638	2.8
124.05182	0.6
133.06494	53.3
135.08005	0.6
135.98056	0.5
137.05981	100.0
150.06787	0.6
153.01964	0.5
163.07538	3.9
165.09119	28.0
175.07556	3.1
175.11211	0.5
177.09087	0.7
181.08592	2.3
182.09294	0.6
183.10167	6.2
193.23024	0.4
203.10663	1.9
209.11723	0.7
221.11757	2.1
239.12740	1.0
257.13876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01663	0.3
55.01869	1.5
56.23701	0.3
57.03447	6.3
66.66764	0.3
67.05482	0.4
69.57744	1.6
75.04493	2.3
79.05511	2.9
81.07075	1.5
91.05485	1.8
93.02621	0.3
93.07030	0.5
94.04214	0.8
95.04968	0.4
96.05827	0.4
103.05485	2.6
105.07043	30.4
107.04967	2.3
107.08586	0.4
109.06535	0.8
115.05511	0.5
117.07063	0.7
121.06541	0.8
122.03671	2.8
124.05215	0.8
127.23740	0.3
131.04918	0.8
133.06508	48.6
135.04431	0.5
135.08080	1.0
135.11708	0.4
136.05211	0.5
137.05994	100.0
147.08051	0.5
150.06760	0.4
151.07582	0.8
152.31110	0.3
161.09668	0.5
162.06798	0.4
163.07539	4.2
165.09137	26.1
175.07529	2.8
175.11162	0.5
177.09132	0.9
179.07077	0.4
181.08621	2.2
182.09337	0.3
183.10179	6.8
203.10661	1.8
205.88786	0.4
209.11684	1.2
221.11743	3.0
225.08789	0.5
239.08167	0.8
239.12773	1.2
257.09085	1.0
257.13773	1.6
257.16403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87702	0.3
55.01878	1.4
57.03439	6.7
70.66922	0.8
70.67257	0.3
71.91754	0.3
75.04474	2.4
75.59834	0.3
77.24078	0.3
79.05502	2.8
81.07027	0.6
91.05479	1.0
93.09163	0.3
94.04183	0.8
96.81565	0.3
100.18259	0.3
103.05467	2.6
105.07034	29.0
107.04963	2.5
109.06541	0.9
115.05460	1.0
117.07036	0.6
121.06466	0.5
122.03632	3.9
124.05224	0.4
131.04984	0.5
133.06494	49.4
135.04369	0.7
136.05209	0.6
137.05980	100.0
147.08093	0.6
150.06796	0.5
151.07538	0.6
161.09627	0.5
163.07558	4.0
165.09119	27.3
175.07567	4.0
175.11221	0.6
177.09113	1.4
180.07838	0.3
181.08530	1.8
182.09389	0.5
183.10176	8.0
203.10707	1.7
209.11746	1.0
216.30670	0.4
221.11722	2.3
239.12770	1.5
257.13733	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05514	4.4
55.69180	0.7
57.07053	2.7
67.05516	5.2
67.28625	0.8
69.07079	4.6
70.06592	0.9
70.92271	1.5
71.05006	4.9
71.08628	0.8
79.05495	7.1
81.07063	7.0
81.50728	0.8
83.04992	1.8
83.08607	2.2
85.06536	3.5
88.07651	2.0
91.05486	9.1
93.07049	16.3
95.04976	4.1
95.08611	11.0
97.06532	1.6
99.08115	1.1
103.05458	1.6
105.07040	20.4
107.08602	16.4
109.06526	5.8
109.10166	9.3
109.77184	0.8
111.08086	3.3
114.64632	0.7
115.05497	0.8
117.07031	4.1
119.08595	18.6
121.06497	1.3
121.10153	63.9
123.08110	2.3
123.11737	1.5
128.06238	2.5
129.07019	3.5
130.07829	1.1
131.08585	9.2
133.07576	1.9
133.10144	11.5
135.08072	20.0
135.11662	3.8
137.09633	6.4
141.06979	1.9
142.07838	4.2
143.08574	13.3
144.09315	2.3
145.06552	1.3
145.10127	13.5
147.11690	1.9
149.09586	3.8
151.11119	1.4
153.06839	0.8
155.08554	2.9
156.09387	3.1
157.10143	19.7
158.10925	3.0
159.08014	2.2
159.11716	20.7
159.13023	1.5
161.09663	1.7
161.13283	1.5
163.11183	3.4
167.08542	0.9
168.09409	2.1
169.10135	6.5
170.10881	1.0
171.11696	11.8
172.08873	1.3
173.09608	2.4
173.13275	23.0
174.14038	3.3
175.11198	1.9
175.14844	1.9
177.12755	2.6
181.10202	1.0
182.10933	1.7
183.11713	8.6
184.12511	1.9
185.13330	1.8
186.54715	0.8
187.11230	6.1
187.14856	3.1
189.12753	2.3
195.11731	1.6
196.58607	0.9
197.13232	8.0
198.14140	1.2
199.14839	31.4
201.12761	6.8
209.13237	1.2
210.13953	0.9
211.14803	2.2
213.16399	8.2
215.14359	2.8
215.17964	8.4
224.15619	1.7
239.17946	10.9
257.19037	100.0
257.26663	16.2
258.27933	3.5
275.33267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01881	0.9
55.05510	0.9
56.96569	3.8
57.03188	0.4
57.03432	2.2
57.54367	0.4
57.90898	0.4
61.02930	2.3
63.86720	0.4
65.03945	0.5
67.04250	1.6
67.05517	0.4
68.05040	0.4
69.03439	4.3
69.07083	0.5
69.86757	0.7
69.87148	1.0
70.06605	1.0
71.04998	0.9
72.08163	0.6
73.02925	2.9
76.45184	0.4
80.05032	1.8
81.03426	1.9
82.06586	100.0
84.04546	0.4
84.08167	0.5
84.96052	0.5
85.02905	7.5
85.06588	0.4
86.03213	0.6
86.05994	0.4
86.09716	3.1
91.03969	0.6
95.06099	0.4
96.04499	12.1
97.02890	4.1
98.03247	0.5
98.97596	5.1
99.04456	1.1
99.97940	0.6
101.00860	2.1
102.00954	0.7
102.02311	0.6
103.00612	0.4
104.44343	0.4
104.80806	0.4
109.02863	2.1
110.97593	1.5
112.05093	2.4
113.00895	0.3
115.00677	0.7
115.02413	0.6
116.02607	0.4
116.98644	2.1
117.02168	0.7
119.01910	3.1
119.03738	0.8
120.02042	1.2
121.01665	0.7
127.03931	1.8
128.02318	0.9
128.98647	1.3
129.10242	0.5
131.01929	1.6
133.01833	0.4
133.03522	0.5
134.99638	0.5
137.04793	0.5
137.05959	0.7
137.14626	0.4
139.01514	0.5
140.02422	0.5
143.00166	0.5
143.01930	1.3
144.02043	0.4
145.01672	0.6
145.03409	1.8
145.04991	1.5
146.99695	0.9
147.03210	1.1
148.02098	1.1
153.01848	0.7
155.01926	0.5
156.01888	0.5
156.98131	0.8
157.02531	0.9
158.99680	0.6
159.03218	0.6
161.02945	1.0
161.04622	0.6
161.06723	0.4
161.55766	0.6
162.03340	0.4
163.02747	0.6
166.08707	0.6
168.05432	0.7
170.03331	0.4
170.05132	0.7
170.55453	0.4
172.08145	0.4
173.03011	1.4
173.52586	0.4
174.03206	0.6
174.99181	4.2
175.00734	0.8
175.04491	0.4
177.04225	1.3
182.03453	0.7
186.04475	0.5
189.00775	0.5
189.02501	1.1
189.04301	0.8
189.06017	0.5
190.05885	0.5
190.98627	0.8
191.02296	0.9
191.03975	1.3
193.00256	3.8
198.02715	0.6
200.04381	0.5
203.03963	0.4
208.99768	0.5
209.03123	0.6
211.01450	0.4
212.02518	1.1
212.04286	0.5
214.03966	0.4
217.00108	0.5
217.01936	0.8
219.01895	0.5
221.05028	0.8
222.05469	0.5
226.02121	0.6
233.03040	0.6
234.01543	0.5
234.99117	0.6
235.01042	2.1
235.04947	0.7
237.07814	1.2
237.58257	0.4
253.02364	2.0
258.02664	2.3
258.09769	45.5
258.14124	1.2
259.04358	1.3
275.97885	0.6
276.03964	1.3
277.00870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
56.96555	11.8
57.03430	2.7
63.39802	1.7
64.99023	1.9
67.05493	2.8
68.83073	2.0
69.03413	8.2
70.06567	3.2
71.04932	2.0
71.53075	2.8
73.02892	2.8
79.05509	1.9
81.03409	4.5
81.07037	3.7
81.96294	1.9
82.06588	3.1
82.78019	2.0
83.06938	2.1
84.08127	10.0
85.02912	9.6
93.29024	2.0
95.04931	2.0
97.02895	10.2
98.41620	1.7
98.97568	8.2
105.07012	2.2
107.04912	2.7
110.97574	3.0
111.04439	2.7
116.98621	3.3
119.01827	2.3
119.08627	2.0
121.06533	2.7
127.03911	2.6
129.10254	16.6
131.04944	2.0
137.05992	4.3
138.05544	2.4
139.03835	1.9
149.02383	3.7
153.01823	5.4
158.99651	2.2
163.03816	2.3
177.00772	2.6
186.99199	2.5
187.04416	2.2
187.54362	2.4
213.00633	6.4
213.05389	2.0
231.01590	3.6
231.06555	2.5
241.11995	4.4
259.04248	100.0
259.06299	4.8
259.09894	3.8
259.16806	2.7
260.07129	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	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05502	0.5
56.05017	0.7
56.88344	0.4
56.96568	3.5
57.03440	1.0
57.07083	0.7
57.77117	0.3
61.02934	0.8
66.78176	0.4
67.04243	1.7
67.05508	1.4
68.04987	0.5
69.03437	3.0
69.50111	2.4
70.06598	1.0
70.98101	0.7
71.05001	0.6
73.01135	0.6
73.02926	0.7
74.00675	6.9
77.30238	0.5
81.03432	1.2
82.06579	1.5
83.04983	1.1
83.06119	0.4
83.06926	1.4
84.04501	0.9
84.08144	1.8
85.02900	3.3
85.06539	0.6
85.08486	0.9
88.99172	0.4
91.05504	0.5
95.01345	0.4
95.04969	0.6
95.08599	0.5
96.15174	0.4
97.02302	0.7
97.02906	8.4
98.97590	4.7
100.02216	93.2
100.99120	0.4
101.00877	0.5
102.03767	0.4
103.02484	0.4
105.06992	0.6
107.04935	0.6
109.02917	1.1
109.23198	0.4
110.97600	0.9
111.04450	0.8
111.05550	3.0
112.03970	0.7
112.99170	0.6
113.06039	0.7
114.05530	0.8
116.98661	2.1
117.20464	0.4
118.03266	4.1
119.01903	1.4
127.03941	0.9
128.98599	0.7
129.10292	0.6
130.08662	1.0
131.01933	0.9
137.05978	1.1
138.05476	0.7
138.09117	0.5
140.05167	0.5
143.00204	0.9
143.01920	0.6
144.01126	0.5
146.02724	100.0
147.03104	0.7
153.01855	1.2
155.04613	0.5
155.54855	0.6
157.06148	0.6
158.99690	2.1
161.01309	0.7
161.03027	0.6
161.04686	0.5
163.03957	0.5
168.04901	0.4
169.04385	3.0
170.02739	0.9
175.04454	0.4
177.00768	1.4
178.05019	3.8
187.07681	0.6
189.00739	0.6
191.02315	0.6
196.04247	0.4
197.07947	0.5
211.04651	0.5
213.06960	27.4
213.12425	1.5
216.03282	0.9
219.01878	0.7
231.02989	1.3
235.01221	0.9
235.06870	0.5
249.56715	0.6
250.07318	0.5
259.04614	1.2
259.07568	37.0
259.09985	1.8
259.12866	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03942	1.8
55.05513	11.3
57.07064	4.8
57.10251	1.7
59.04994	1.7
67.05503	14.0
69.03423	2.5
69.06725	2.6
69.07069	34.9
69.41302	10.5
71.04993	27.5
79.05482	6.7
81.07062	21.1
83.04966	6.8
83.08616	7.3
85.06548	22.8
85.52090	1.7
91.05486	13.1
93.07044	21.2
95.04989	2.6
95.08601	21.5
97.06524	6.9
98.20865	3.7
105.03389	7.2
105.07020	29.7
107.08601	21.6
107.85652	1.8
109.06519	12.4
109.10170	17.6
110.39641	1.8
111.08078	19.4
111.11668	2.1
117.07018	7.3
119.08588	64.8
120.09312	2.7
121.10117	14.5
123.08051	2.4
123.11697	25.4
127.41066	1.6
129.01859	2.5
129.06972	2.4
131.08577	14.8
133.10129	41.4
135.08063	19.5
135.11684	7.2
137.09613	4.8
143.08571	9.1
144.09309	2.7
145.09055	2.9
145.10124	35.1
147.11699	20.8
149.09682	2.6
156.09377	4.9
157.10141	12.6
158.27003	1.6
159.11693	33.0
160.12450	4.6
161.09647	3.0
161.13258	40.4
163.11255	2.0
170.10834	1.8
171.11688	18.6
172.12309	1.8
173.13243	11.3
175.11148	4.8
175.14833	100.0
176.15593	4.6
177.12791	3.4
177.16377	4.3
185.13260	17.4
187.14806	2.5
189.12772	5.0
189.16377	6.6
190.13472	3.0
199.14832	4.7
201.16405	27.9
203.14284	10.1
215.17960	7.1
217.19582	2.5
229.15898	2.1
236.45480	1.8
241.19490	17.7
259.11148	4.0
259.20581	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16873	0.3
55.05529	0.6
55.69373	0.3
55.93703	0.3
56.05038	8.4
57.07079	9.3
58.06617	0.4
71.08640	2.1
71.53517	0.5
73.23664	0.3
74.06087	19.1
85.10191	1.6
88.07636	53.9
97.02932	0.3
98.97607	0.5
102.05544	3.9
106.27676	0.4
116.07107	1.2
120.06585	5.7
170.19016	0.5
198.35928	0.4
204.13889	0.4
214.21675	26.9
223.03787	0.4
242.21254	2.7
255.55067	0.3
260.22223	100.0
280.58862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82093	0.2
56.96558	0.2
57.07078	6.3
57.31060	0.2
62.06088	0.3
70.06594	10.1
71.08638	2.0
78.04301	0.2
85.10171	0.6
88.07634	14.1
98.20718	0.5
102.09187	3.9
106.08673	8.9
136.92107	0.2
154.93147	0.4
172.94292	0.5
174.54312	0.2
179.75104	0.2
190.25996	0.2
195.95932	0.4
198.22191	0.5
213.96878	0.2
216.23193	0.7
231.61623	0.2
242.24802	5.5
260.25848	100.0
261.26178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.7
69.03403	0.2
69.88021	0.5
69.88417	0.5
71.20164	0.2
76.69267	0.2
82.99857	0.6
87.60387	0.2
94.95612	0.2
98.97585	4.1
101.00882	4.7
107.74454	0.2
110.97520	0.3
112.96751	0.2
115.61135	0.2
116.98643	1.3
119.01921	6.0
128.98637	0.3
134.99767	0.6
137.02933	0.6
140.98788	0.9
143.00162	0.2
158.99883	3.2
159.01109	0.4
161.02917	0.2
175.03038	0.3
177.00952	11.0
177.18370	0.2
177.48021	0.2
181.01891	0.3
182.99908	1.1
186.48369	0.3
196.94518	4.8
201.00941	3.7
214.92114	0.5
214.95561	9.2
217.04105	2.1
219.02002	16.6
219.96111	1.3
220.94382	0.2
221.02020	0.3
221.04839	0.2
224.17348	0.2
225.00854	2.6
226.46339	0.2
232.02908	0.2
232.93132	0.3
232.96651	3.7
237.97121	7.6
238.95486	1.1
242.97931	0.5
243.02000	14.6
244.02116	0.3
246.94772	0.4
247.96207	0.3
255.94958	1.3
255.98233	2.5
256.44968	0.3
256.96603	3.2
258.45306	0.3
258.96429	0.3
261.03061	100.0
261.97144	0.3
262.03101	1.6
263.03433	0.3
264.95554	0.6
266.03479	0.4
267.45831	0.5
272.94415	0.4
274.97717	0.8
279.00180	0.5
279.98242	0.8
284.04608	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	261.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.7
79.40916	0.7
84.70151	0.8
84.96009	1.2
85.02945	1.1
88.10941	0.8
96.31134	0.9
97.01447	0.8
98.97604	7.0
101.00911	2.4
108.30228	0.8
110.97565	1.4
113.00904	1.4
115.02419	1.2
116.98589	1.6
119.01918	1.0
126.07137	0.8
127.03806	0.8
128.98648	0.8
131.01903	1.7
133.03444	1.8
143.01881	1.9
147.75496	0.8
155.01869	1.4
156.02744	0.9
157.03366	0.9
158.99675	1.8
159.05110	1.6
169.01033	1.4
171.05055	2.4
173.02983	1.1
189.06084	1.1
201.00771	1.5
201.03839	1.5
203.04140	1.7
219.01863	2.5
221.05177	4.2
229.03238	21.9
237.02884	1.4
243.04828	3.7
261.03207	6.3
261.05844	82.7
261.09451	100.0
279.09406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83805	0.6
53.79782	0.6
55.46856	0.8
56.96558	2.2
57.27321	0.6
58.92021	0.7
69.97070	3.2
70.97789	0.8
83.01655	0.7
97.02916	0.8
98.97602	4.2
101.00888	3.2
101.33845	0.7
110.97596	1.4
115.02410	1.4
116.98597	0.8
119.01928	2.0
131.01909	1.6
133.03439	1.5
145.03468	1.9
155.01886	1.4
159.05005	2.5
169.01106	1.5
171.02740	1.0
171.05067	2.5
173.02922	2.1
182.99725	0.9
201.00711	0.8
201.03716	2.2
203.04051	3.0
219.01830	1.0
219.07013	0.8
221.05122	4.4
229.03214	29.3
243.04785	3.8
261.05817	100.0
261.09424	95.1
279.09341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06415	2.7
55.05516	24.2
56.76403	2.5
57.07057	9.5
67.05503	22.2
69.03420	3.4
69.06777	2.8
69.07065	29.3
69.18493	26.6
71.04988	15.0
73.21106	2.6
78.10854	2.8
79.05489	17.1
81.07055	41.8
83.08625	27.7
85.02892	8.2
85.06548	26.5
91.05473	16.1
93.07042	53.7
95.04986	3.0
95.08605	64.1
97.10169	6.4
98.20778	6.5
99.08073	7.1
105.07035	45.8
107.08595	67.6
109.06518	3.7
109.10162	39.7
113.09621	13.5
117.07007	6.8
119.08587	52.7
120.05014	2.9
121.10136	75.2
123.11709	19.0
125.09632	3.0
131.08577	18.5
133.10129	95.3
135.11688	64.4
143.08534	7.9
145.10121	36.6
147.11700	48.2
149.13255	18.7
157.10156	9.2
158.10896	5.1
159.11705	38.2
161.13249	26.6
163.14790	6.4
172.12479	5.2
173.13260	63.9
175.14833	10.8
177.16385	9.1
179.14357	4.9
185.13243	2.8
187.14822	54.6
191.18005	6.8
201.16388	15.4
203.17946	77.6
205.15880	6.6
214.21786	3.0
243.21082	69.8
261.15204	3.0
261.18329	6.7
261.18835	5.7
261.22150	100.0
262.23737	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05518	18.2
57.00278	2.2
57.07056	9.4
58.13334	2.8
67.05506	23.8
69.07065	28.3
70.16615	2.5
70.44775	2.4
71.04981	9.0
71.53667	4.2
72.38908	3.1
73.69441	2.5
79.05491	15.3
81.06653	3.5
81.07067	42.2
81.67270	2.4
83.08607	18.2
85.02887	8.4
85.06534	17.1
91.05475	19.0
93.07041	47.4
95.04951	2.6
95.08598	55.3
97.02926	3.9
97.10184	6.7
99.08108	3.3
105.07034	39.8
106.08642	4.1
107.08592	54.5
109.06504	3.7
109.10146	35.7
113.09631	8.1
115.05387	2.5
117.07037	5.9
119.07785	4.8
119.08579	49.5
121.06556	2.5
121.10146	69.3
123.11676	15.5
125.09672	3.4
131.08572	26.2
133.10133	99.9
135.11690	67.8
139.11188	3.8
143.08575	3.1
144.09331	3.9
145.10117	34.7
147.11694	43.2
149.13243	10.6
151.11172	3.7
157.10155	5.4
158.10889	6.6
159.11717	40.6
161.13268	23.7
163.14870	5.9
172.12498	6.4
173.13266	61.9
175.14803	16.2
177.12758	4.1
177.16385	9.4
187.14836	57.2
191.14272	5.3
191.17885	3.8
201.16341	16.1
203.17952	70.7
203.19781	5.4
205.15880	8.8
210.44798	3.2
243.21078	67.0
258.60205	2.6
261.15036	3.8
261.19003	6.3
261.22156	100.0
262.23761	9.7
268.99704	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	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05520	9.0
56.96561	2.8
57.07071	3.7
65.03934	1.1
66.30310	0.8
67.05512	28.8
69.07076	10.6
69.57468	5.4
71.04969	0.8
71.08626	1.6
76.13087	0.7
79.05502	34.5
81.07067	31.8
83.04972	1.2
83.08633	6.9
85.06536	2.3
85.10185	1.0
91.04983	1.3
91.05498	16.8
93.07055	54.0
95.04989	2.2
95.08620	25.7
97.06527	2.6
97.10198	1.6
98.97549	1.6
99.08100	2.7
105.04457	1.1
105.07046	12.7
107.08609	36.8
108.08107	0.9
109.06510	1.5
109.09475	1.1
109.10173	14.7
111.08099	1.3
113.09648	1.3
113.89101	0.9
117.07024	4.5
119.08598	12.3
121.10162	35.9
121.11041	2.0
123.11722	3.2
127.11142	1.2
131.08585	10.8
133.10135	11.0
133.23233	1.0
135.11705	27.2
145.10139	11.4
147.11734	10.8
149.02338	1.9
149.13271	21.2
151.11179	1.0
153.12766	1.2
159.11720	7.7
161.13260	8.9
163.14848	15.9
172.94293	1.7
173.13286	10.1
175.14836	3.7
177.16409	4.0
179.14372	1.1
187.14816	7.7
189.16441	0.9
201.16367	2.4
213.96825	1.1
215.17999	4.6
243.21121	36.7
253.77441	1.1
256.49414	0.9
261.13019	2.3
261.22162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	2.0
55.01871	0.8
55.05512	8.4
56.96579	0.6
57.03442	1.1
57.07082	3.2
60.95415	0.3
65.03943	1.2
67.05508	30.0
69.06723	0.7
69.07072	8.8
69.85184	1.3
71.04987	1.4
71.08646	0.7
77.03923	0.7
79.05498	36.9
80.39420	0.4
81.07061	32.8
83.04958	0.5
83.08623	4.8
85.06550	2.6
91.04913	0.9
91.05482	18.9
93.07049	47.6
95.04991	2.5
95.08614	24.4
97.06528	2.4
97.10155	2.4
98.20826	0.5
98.97578	0.5
99.08090	2.4
105.04552	0.8
105.07038	13.3
107.08600	34.1
109.06530	1.4
109.10162	10.8
111.08088	2.4
111.11717	0.4
113.09669	0.8
116.98611	0.3
117.07027	4.9
119.06059	0.3
119.08591	10.2
121.10151	30.3
123.08071	0.8
123.11705	3.3
125.09566	0.7
127.11206	0.5
131.07590	0.6
131.08575	11.6
131.61389	0.4
133.10144	10.2
135.11697	24.2
137.09650	1.3
137.13258	1.1
139.11212	0.7
143.85588	0.4
145.10132	10.1
147.11696	8.8
147.19632	0.4
149.13266	21.5
151.11234	0.7
151.14787	0.5
153.12744	0.7
159.11691	7.8
161.13268	8.8
161.14615	0.5
163.11133	0.6
163.14830	16.9
165.12770	1.3
171.11751	0.5
173.13278	8.3
173.14703	0.7
175.14798	3.4
177.12827	0.4
177.16393	5.1
179.14317	1.2
187.14850	6.0
189.16409	0.9
191.14330	0.6
193.15938	0.3
201.16351	2.8
203.18164	0.4
205.15909	1.2
215.17952	1.7
217.19302	0.3
219.17479	0.8
233.22643	1.1
243.21098	27.6
261.22153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2217
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02363	0.3
53.03953	1.7
54.65075	0.3
55.01870	0.9
55.05515	9.1
56.96572	0.4
57.03443	1.1
57.07081	3.1
57.26045	0.3
65.03949	1.1
67.05510	29.0
69.07072	9.5
70.18362	0.5
70.18742	0.4
71.04996	1.8
71.08642	1.3
77.03934	0.7
79.05499	40.3
81.07063	35.0
83.04992	0.5
83.08630	5.5
85.06554	2.5
91.05488	18.9
93.07051	50.8
95.04983	1.9
95.08614	25.1
97.06551	2.3
97.10184	2.3
98.97591	0.5
99.08105	2.7
103.05482	0.5
105.04546	1.0
105.07038	13.9
107.04897	0.3
107.08603	34.7
109.06549	1.1
109.10163	11.4
111.08080	2.3
111.11728	0.5
113.09652	1.1
117.07025	4.8
119.08590	11.9
121.06525	0.4
121.10153	30.3
123.08070	1.3
123.11727	4.2
125.09643	0.8
129.07018	0.5
131.08575	11.4
133.09119	0.6
133.10139	10.1
135.08031	0.5
135.11702	25.4
135.41350	0.3
137.09608	1.0
137.13263	1.2
139.11186	0.5
143.08537	0.4
145.10133	11.1
147.11694	8.2
149.02431	0.4
149.09639	0.8
149.13271	20.6
151.11218	0.9
151.14859	0.9
153.12743	0.9
158.99661	0.3
159.11710	9.0
161.13264	8.9
163.14835	15.6
165.12737	1.0
171.11691	0.7
172.94290	0.4
173.13268	7.8
175.14848	2.8
177.12781	0.4
177.16412	5.1
179.14336	1.1
187.14850	5.1
188.68675	0.3
189.16382	0.7
191.14293	0.5
201.16402	2.7
205.15831	0.8
215.17955	2.4
217.19466	0.6
219.17441	0.7
233.22710	1.3
243.21103	25.0
249.66898	0.3
261.13065	1.1
261.22156	100.0
281.44128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.09551	1.5
53.03934	1.8
55.05517	10.5
57.07051	2.2
65.20679	1.7
67.05507	9.1
69.07078	7.5
71.54647	2.7
76.44117	1.5
79.05498	9.1
81.07059	11.8
83.08626	22.8
91.05490	8.3
93.07051	26.3
95.08605	18.7
97.06549	2.1
97.10136	1.6
97.88868	1.4
101.48212	1.8
104.00170	1.6
105.07042	11.3
105.68839	1.6
107.07873	3.4
107.08599	64.6
109.10168	43.4
111.11796	1.9
117.07021	3.6
119.08593	25.0
121.10152	63.7
123.11732	10.1
131.08543	8.0
133.10124	15.5
135.11699	52.1
137.09595	2.2
137.13237	2.5
139.11154	1.9
145.10132	13.7
147.11710	14.9
149.13249	6.2
156.37303	1.9
159.11696	17.5
161.13300	7.8
163.14719	1.9
165.12746	2.5
173.13278	27.7
175.14758	4.6
177.12752	1.6
185.13231	2.8
187.14818	18.6
189.16383	6.2
191.14325	3.4
200.15581	1.6
201.16467	3.1
205.16008	2.2
213.16266	2.3
243.21098	100.0
261.13046	6.9
261.22137	86.6
270.23856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.9722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
56.96564	4.8
57.03440	3.0
58.99873	2.5
61.02930	6.5
66.59356	1.5
69.03425	6.9
70.99859	2.8
71.52798	1.9
73.02918	5.3
77.00913	4.7
81.03425	2.7
81.76097	1.5
82.13877	1.3
82.99857	3.3
84.04510	3.5
84.08159	3.1
85.02922	6.4
89.00914	3.0
91.03968	2.1
97.01440	1.3
97.02917	8.9
98.97596	5.9
100.00119	5.5
101.00890	20.8
102.00984	4.7
103.00651	5.5
109.02905	3.1
111.01328	1.9
113.00883	4.0
114.04087	1.7
115.02464	3.3
116.98670	3.8
117.02185	2.0
118.01183	7.9
118.01914	1.6
118.44942	1.3
119.01149	2.8
119.01939	34.5
120.02030	8.5
121.01678	10.5
127.02425	4.9
127.03925	1.4
129.02161	2.4
130.04958	1.6
131.01944	6.7
131.78801	1.5
131.96173	2.9
132.05080	9.6
133.01678	1.6
133.02588	1.9
133.03488	2.3
134.99780	1.5
135.01373	1.9
137.01967	1.8
137.02953	3.4
139.02499	5.3
140.00734	2.6
142.01132	1.7
142.03520	2.7
143.00226	1.7
143.01929	8.0
144.01880	1.6
145.01698	4.4
145.03476	13.5
146.03632	1.5
149.97296	1.4
150.06136	4.2
154.52875	1.7
155.01962	3.1
156.02776	2.1
156.05078	4.3
157.03508	16.9
158.02534	2.3
158.99902	2.4
160.52402	1.6
161.02977	16.7
162.03041	6.4
163.02780	3.4
166.01228	1.7
166.52332	2.4
167.01956	2.8
167.03186	2.1
168.02692	2.1
171.95653	1.9
173.03058	2.8
173.52185	2.1
174.02847	2.3
174.06120	8.0
175.02798	1.8
175.04453	3.4
175.51677	2.0
177.00989	16.6
177.02397	2.3
178.01056	10.5
181.02681	5.4
182.52701	1.9
183.03445	1.6
183.04987	2.3
185.03006	6.7
187.02864	1.9
189.03317	1.6
189.53180	4.0
190.03021	5.2
197.02945	1.7
200.00829	1.7
201.00912	2.2
201.04274	1.9
201.51054	1.9
202.02798	2.9
202.05675	5.5
203.04045	12.3
205.03787	4.9
211.03609	2.1
213.01012	1.5
214.96605	3.1
215.96609	4.2
216.00772	3.3
218.04320	2.2
220.02177	15.7
220.06700	2.3
221.03015	3.9
221.05042	28.3
222.05305	4.6
223.03682	2.5
226.03168	2.0
232.03755	3.4
233.96802	2.9
238.04225	1.8
238.95668	17.5
238.98402	46.2
239.04008	4.6
239.06160	26.4
241.04076	4.1
244.02177	12.9
244.06702	16.9
247.55423	2.2
250.46635	1.8
250.49849	1.9
253.04903	3.4
256.96643	94.6
257.05060	2.8
261.53342	2.6
261.97226	6.2
261.99927	5.9
262.03232	100.0
262.05457	29.8
262.07803	14.5
263.03122	4.2
263.06128	45.7
274.97696	24.2
279.98248	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32907	0.4
53.03939	1.1
54.92714	0.5
55.05505	1.1
56.96576	3.7
57.03426	0.7
57.07059	0.6
61.02910	0.9
64.96439	0.4
67.05512	0.6
69.03429	2.0
69.07076	0.9
69.57238	1.1
69.57632	2.3
70.06601	6.8
71.04993	2.8
72.08160	0.6
73.02912	1.3
73.99174	0.4
79.05489	5.5
80.05004	0.8
81.05809	4.1
81.07066	4.4
82.06575	1.1
83.05003	0.7
85.02900	3.7
85.06535	1.2
87.04469	0.5
88.07641	2.9
94.06571	2.6
95.01402	0.6
95.04976	0.9
96.04502	4.0
96.08139	17.3
97.02886	2.8
98.06066	2.5
98.21492	0.9
98.97599	7.1
99.04475	0.8
106.06586	3.2
108.08822	0.5
109.02895	2.0
110.06061	1.1
110.97599	1.5
112.07613	0.9
112.99208	0.6
116.07098	4.1
116.98629	2.8
117.05527	0.7
119.01893	0.6
122.06021	1.4
123.04414	0.7
123.48417	0.4
124.07602	100.0
125.08372	1.8
127.03893	1.3
128.98596	1.5
130.08647	7.6
131.00154	0.6
132.95833	0.5
134.08188	1.2
134.99654	0.6
140.07066	4.4
141.05424	0.6
142.08629	1.2
143.00188	0.9
154.03217	1.6
155.00537	0.5
158.08160	1.4
158.99675	1.3
161.01302	0.5
161.02937	0.7
164.52592	0.6
166.03864	0.6
170.99754	0.7
173.03021	0.5
173.52925	0.7
175.04468	2.4
176.09190	4.2
177.00726	1.2
178.05011	0.5
180.04842	1.1
181.98830	0.5
184.06090	1.0
188.07625	0.5
189.00681	0.6
198.05917	1.4
200.00031	0.5
201.00519	0.5
202.00957	0.6
202.07140	1.8
211.02814	0.6
216.07236	1.0
219.01761	1.0
220.08197	0.6
221.03114	0.5
235.94136	0.6
237.02805	0.7
244.06346	4.3
244.08421	0.6
257.03357	1.0
261.56613	0.8
262.07434	5.3
262.09879	1.2
262.14371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05506	1.7
56.96561	3.2
57.03421	1.2
57.07072	0.9
58.55397	0.8
60.04521	1.7
61.02906	1.0
67.05515	1.3
68.99767	1.1
69.03431	3.0
70.06596	98.0
70.84958	2.0
71.04996	42.7
72.04530	1.2
72.08137	1.0
79.05502	0.9
81.03398	1.3
85.02895	4.1
87.00819	4.6
88.07640	34.4
94.06551	1.1
96.04509	1.1
96.08137	1.6
97.02900	2.9
98.06059	23.3
98.97582	4.1
99.04448	2.5
101.00867	3.5
112.07594	4.6
116.07100	60.9
116.98631	1.0
117.05499	7.9
119.01904	2.3
119.96098	0.9
122.06005	1.3
123.04482	1.0
124.07602	7.6
130.08647	100.0
131.01921	1.8
134.08138	14.0
140.07098	4.8
143.01881	4.5
144.08119	1.0
155.01869	1.9
158.08127	26.5
158.99629	1.6
159.95567	1.2
161.02982	5.9
173.02975	2.6
176.09193	62.8
177.00757	1.4
184.06082	14.8
202.07123	30.9
203.04050	1.4
220.08115	6.4
226.07199	1.7
244.08286	6.3
262.06158	3.4
262.09265	10.7
263.06216	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	262.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
56.05027	0.3
56.96582	0.3
57.07083	4.7
58.06614	0.3
58.63062	0.3
69.76171	1.2
69.76550	0.5
70.06600	11.6
71.08282	0.4
71.08639	3.5
79.05490	0.4
81.07072	0.3
84.08145	0.8
86.06055	0.3
86.09751	0.5
88.07640	12.6
91.05956	0.2
98.97591	0.4
99.04395	0.3
102.09168	0.4
105.07053	0.4
106.08675	2.1
114.09186	4.8
118.08650	1.6
130.08696	0.7
132.10217	20.0
133.10124	0.4
139.03897	0.6
150.11269	16.7
167.06030	0.3
174.06361	0.4
176.14424	0.6
186.18559	1.2
189.09267	0.4
190.09477	0.5
196.08542	0.3
200.20128	1.3
216.11082	0.4
218.21179	5.9
221.03464	0.5
262.11401	1.1
262.23801	100.0
263.24063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2377
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05527	0.3
56.05037	8.1
57.07076	6.0
58.06602	4.8
58.81654	0.2
60.04520	1.5
68.05027	0.5
71.08627	2.0
72.04513	0.2
74.06081	8.9
83.08608	0.2
85.10182	1.9
86.06065	1.5
86.09705	0.3
88.07631	28.8
104.07108	0.6
118.08652	5.7
122.08143	5.4
127.34055	0.2
142.08543	0.2
159.97209	0.2
177.12791	0.7
182.19022	0.3
200.20134	0.6
202.82553	0.2
214.21655	41.1
244.22742	1.5
262.23776	100.0
263.24088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2377
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
57.06822	0.5
57.07077	6.4
58.06598	1.8
64.11436	0.3
69.77851	0.4
70.06593	18.3
70.57758	0.9
71.08629	4.2
72.08147	0.4
88.07630	25.4
102.09183	14.0
116.43881	0.4
132.10233	0.6
135.84271	0.4
140.14102	0.3
146.11705	1.1
150.11212	0.6
156.17453	1.5
159.31534	0.4
172.96617	0.4
173.69974	0.4
200.20093	55.7
244.22694	3.6
262.23767	100.0
263.23996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
68.54227	10.0
70.56006	10.4
71.43789	23.8
79.46620	9.9
90.15736	10.8
126.67313	10.7
143.01892	28.8
144.64865	11.9
161.02971	13.7
206.02577	11.5
222.80779	10.7
228.44035	12.3
263.01590	100.0
263.03464	10.0
263.06064	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	264.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75640	1.3
53.03925	3.0
55.01874	8.9
57.03439	23.7
58.99847	1.5
61.02934	24.9
69.03435	39.6
70.99859	1.6
71.04984	3.4
71.45988	3.0
73.02925	44.0
73.33865	1.5
74.67681	1.4
76.23563	1.4
81.03420	9.7
82.99830	7.2
83.99912	3.6
85.02911	85.2
87.04462	3.7
88.02683	2.2
91.03964	9.4
94.02644	1.7
95.12975	1.4
97.02900	49.7
98.97589	3.8
99.04479	9.0
99.05000	2.2
100.02618	2.7
101.00893	40.2
101.02343	2.7
102.00960	31.4
102.02423	2.2
103.00607	2.0
103.03941	2.2
109.02868	10.4
111.02914	5.9
113.00872	11.1
114.00961	11.2
114.02377	3.0
115.02410	3.7
115.03902	2.7
116.02487	1.9
119.01934	26.4
120.02008	22.7
120.03340	1.4
121.01624	1.8
123.02898	9.2
126.03336	1.8
127.02454	7.1
127.03922	31.4
128.02469	1.9
129.02887	6.4
129.03911	3.3
130.03679	2.3
131.01918	17.3
132.02026	17.2
132.03374	5.7
132.53485	1.5
133.03403	4.6
134.03508	1.4
135.02910	5.2
136.03627	2.7
137.02965	1.6
138.03447	14.8
139.02385	3.3
139.04147	3.5
141.03894	3.5
142.08705	1.7
143.01906	56.4
143.44876	1.3
144.02034	70.6
144.03394	4.8
145.01682	2.9
145.03506	14.2
145.04929	15.5
146.03633	1.8
146.04976	1.7
147.03923	6.1
147.05040	4.5
150.03174	2.0
152.05020	2.1
153.01837	2.4
153.03955	11.8
155.01898	34.4
156.02039	22.3
157.03479	9.4
158.03535	5.1
158.99623	1.8
159.05029	4.0
160.54909	1.4
161.02972	46.5
161.05551	32.5
161.55644	1.7
162.03104	100.0
163.02667	4.0
163.04582	2.1
164.47997	1.4
165.03996	10.2
167.01938	14.6
168.02060	3.4
169.03419	3.5
170.06071	11.3
171.01254	1.7
171.05049	3.5
173.02974	32.7
174.03059	44.3
174.04486	31.1
174.54619	5.9
175.02806	2.0
175.04544	3.6
176.04524	1.8
177.04182	2.1
177.06042	3.1
179.01884	2.6
180.04285	2.5
181.03491	1.8
183.03476	2.6
183.05034	42.6
183.55130	3.4
185.02994	40.0
185.04581	2.9
186.03070	10.2
187.04550	7.9
191.04025	6.9
192.04102	20.7
192.05557	12.8
194.55728	2.4
197.02962	8.4
198.03166	1.9
199.04504	2.4
201.06158	2.3
203.04010	24.1
203.56363	2.1
204.04192	33.9
209.02960	2.3
210.70349	1.6
215.04039	7.8
221.05040	10.1
222.05205	8.3
227.04037	9.9
233.05205	2.1
234.05312	4.9
239.06084	4.7
240.06070	2.1
245.05093	71.6
246.05298	6.1
255.07257	2.3
257.05161	8.1
261.04599	1.7
263.06201	9.3
264.02197	9.3
264.06247	59.0
275.06107	11.7
287.06046	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	264.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.7
60.85983	1.4
69.03451	1.3
70.44029	1.7
71.52230	1.6
71.52564	2.3
91.05512	1.4
95.34370	1.6
98.97591	3.5
101.00884	15.5
102.96841	1.4
103.00629	4.7
108.84730	1.5
116.98550	1.7
119.01922	26.0
121.01650	9.5
133.01703	1.9
137.02956	3.3
139.02637	2.3
142.03490	4.0
142.92871	1.5
143.01895	4.2
145.01653	4.5
145.03442	2.5
157.03450	7.9
158.92303	1.9
158.99919	2.0
159.93102	5.4
160.93893	6.0
161.02936	7.5
163.02679	10.4
165.05466	3.8
173.03020	2.3
173.05930	1.9
175.02759	2.9
175.04533	4.0
176.93382	22.0
177.00945	14.2
177.94157	21.5
178.94930	12.2
181.00481	1.8
187.02757	2.5
188.93245	2.9
193.03879	2.0
194.94440	14.0
195.95090	1.8
200.93417	5.1
201.00932	3.4
203.10669	2.5
205.05603	3.7
217.03716	1.5
218.94424	100.0
219.02011	40.8
223.02020	2.3
223.06630	4.5
223.94994	5.9
236.95479	42.3
241.96025	99.4
241.97887	4.0
242.03525	4.7
247.09761	2.4
250.49529	1.9
256.96481	1.8
257.96786	1.9
259.97083	13.9
261.03061	16.5
264.97681	4.3
265.02728	12.4
265.07968	32.5
265.14081	1.9
288.31250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76896	1.2
53.03955	1.4
54.10829	1.1
55.01872	1.5
55.05514	4.1
56.96581	2.6
57.03420	2.9
57.07091	1.3
59.05011	2.4
64.71880	1.2
65.03971	1.4
67.05507	3.9
69.03449	7.4
69.07058	3.6
71.04977	1.7
71.11304	1.1
71.54262	1.7
73.02924	2.6
79.05518	3.0
81.03437	8.2
81.07066	6.4
83.04988	2.5
83.08640	1.1
83.15871	1.2
85.02908	4.2
85.06531	1.8
87.04474	2.2
91.05508	6.6
93.07051	5.4
95.04958	2.4
95.08633	5.7
97.02904	4.2
97.06559	2.3
98.97591	4.2
103.05505	5.5
105.07027	3.9
107.04945	1.8
107.08609	7.3
109.02901	2.5
109.06500	2.9
109.10174	5.5
111.04456	1.5
111.08092	2.5
113.31111	1.3
115.03954	1.8
115.05461	18.5
117.07038	39.2
118.79860	1.1
119.08603	5.5
121.02885	18.0
121.06448	1.7
121.10159	4.2
123.08041	1.6
125.09610	2.1
127.03953	2.6
127.05441	1.6
128.06219	3.0
129.07004	4.1
130.04178	3.5
131.04926	3.5
131.08592	4.7
132.05704	2.0
133.10133	3.5
135.08061	3.0
135.11685	3.9
137.05986	1.6
137.09615	1.7
141.07033	1.7
143.04964	2.3
144.05708	2.6
145.06505	76.8
145.10167	2.5
147.04424	2.1
147.08061	4.8
151.11217	1.7
155.06064	15.0
156.05722	19.8
157.06502	3.0
158.99715	1.5
159.08107	5.2
159.11705	3.3
160.05171	3.1
161.05861	3.8
161.09578	1.8
163.11176	2.6
165.09207	1.3
167.07022	1.4
173.06004	100.0
174.06670	1.4
175.07581	3.5
184.05205	1.8
185.03076	1.3
187.07530	6.6
187.11250	2.8
189.05655	1.6
190.06274	40.6
191.06964	2.3
191.08678	1.8
191.10585	1.4
193.15918	2.5
201.12720	3.5
202.06316	4.5
203.07080	16.4
203.10771	1.5
205.08627	96.4
215.07014	2.0
217.08617	58.3
219.10175	3.4
219.13681	2.6
222.06828	1.7
224.08199	2.0
229.12256	3.5
233.08440	1.9
235.09669	9.6
237.09149	1.6
242.24060	1.1
247.09773	4.9
247.13322	9.8
247.16982	2.3
265.08719	3.1
265.10788	5.6
265.13965	7.4
265.18060	3.7
266.38422	1.3
268.68845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1072
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.01865	1.1
55.05479	1.3
56.96548	1.1
57.03421	1.4
60.27001	0.9
67.05508	1.2
69.03432	2.0
69.07061	1.1
79.05494	2.0
81.03408	3.0
81.07051	2.6
85.06555	1.4
91.05476	3.9
93.07033	1.8
93.28973	0.9
95.08598	1.7
97.02903	1.2
98.97578	1.2
103.05479	5.8
105.07036	2.5
106.94103	1.0
107.04963	2.1
107.08592	2.9
115.05458	24.0
117.07024	42.2
119.08575	2.2
121.02858	3.3
125.02966	1.0
127.05421	1.0
128.06273	4.5
129.06987	3.4
130.04163	1.5
131.04944	2.6
131.08569	2.3
132.05771	1.2
133.06487	1.1
133.10187	1.6
143.04951	2.0
144.05702	3.9
145.06493	82.8
147.04407	1.4
147.08054	3.3
155.04857	1.5
155.06038	16.0
156.05701	21.3
157.06461	4.3
159.08035	3.5
160.05199	2.2
161.06004	3.2
167.07010	3.1
172.05249	1.3
173.05995	100.0
174.06819	1.4
175.03914	2.8
175.07558	3.0
180.03770	1.0
181.05257	1.0
184.05180	1.7
187.07579	3.2
190.06250	38.9
191.06985	2.0
192.31783	1.1
202.06276	5.2
203.07053	16.4
205.08606	94.9
215.07031	1.1
217.08611	62.6
219.10155	1.7
235.09673	11.3
247.09624	3.8
247.16951	2.4
258.60580	1.0
265.08453	1.5
265.10803	3.5
265.14597	1.7
265.17798	2.1
282.85641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01867	2.4
55.05513	4.8
56.96555	2.8
57.03418	1.8
65.03957	2.3
67.05504	4.3
69.03436	4.6
69.07061	4.5
71.05000	3.3
71.54471	1.9
79.05483	4.2
81.03420	8.6
81.07053	5.7
83.04980	3.1
85.02925	3.6
85.06578	1.7
91.05482	12.3
93.07038	5.8
95.04952	3.1
95.08610	6.0
97.02885	3.1
97.06531	3.5
98.97589	4.7
103.05450	7.2
105.07038	8.3
107.04962	2.6
107.08594	9.8
109.02882	5.6
109.06520	4.7
109.10168	4.1
115.05453	21.9
116.69197	1.4
116.98663	1.4
117.07021	42.6
117.51110	1.3
118.06538	1.4
119.08581	5.1
121.02870	20.3
121.06522	3.2
121.10156	6.1
123.08155	2.3
125.09647	1.8
127.07538	1.3
128.06221	3.0
129.07008	5.0
130.04176	3.8
131.04947	2.9
131.08519	6.3
133.10138	5.1
135.08076	1.9
135.11775	2.5
137.09647	1.6
144.05714	1.9
145.06493	78.5
145.10156	4.6
147.04378	1.5
147.08069	3.7
147.11656	1.8
149.06020	1.6
149.09644	3.6
155.04851	2.3
155.06015	14.7
156.05695	16.0
157.06502	3.4
159.08058	4.7
159.11732	3.9
160.05125	6.0
161.05507	5.8
161.09622	1.8
161.13242	1.9
163.07536	2.4
163.11223	5.6
165.09085	2.1
167.07043	3.6
169.06454	1.7
172.05116	2.4
173.06000	100.0
173.13295	3.2
174.06534	1.4
175.03888	2.0
175.07573	4.8
177.12790	3.4
182.38571	1.5
184.05191	1.6
187.07545	5.4
187.11177	3.3
187.14883	1.8
189.05499	1.8
190.06245	35.4
191.07079	1.9
201.12761	5.1
202.06242	4.2
203.07051	18.5
205.08607	91.3
205.11908	2.3
217.08607	58.2
218.44756	1.5
219.10193	2.9
222.06892	1.7
229.12253	4.5
229.15808	1.9
232.10677	2.2
233.11139	18.4
235.09651	10.1
247.09698	4.3
247.13339	5.4
247.16917	3.2
265.08459	5.0
265.10782	3.3
265.13925	16.9
265.17764	9.5
265.21857	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	265.1437
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
52.45263	3.0
53.03951	4.8
55.01880	3.6
55.05511	12.6
57.03431	3.3
65.03946	7.4
67.05507	32.4
69.03437	40.1
69.07062	4.3
69.40332	24.4
71.05006	10.6
73.58559	3.1
74.16483	3.0
79.05495	23.8
81.03439	4.8
81.07064	16.4
83.04989	6.9
91.05482	48.4
93.03417	6.6
93.07047	48.0
93.23584	2.8
95.04974	50.3
95.08613	21.8
97.02889	8.0
97.06543	7.9
99.04491	5.6
103.05507	4.9
105.07038	85.6
107.04939	8.5
107.08602	23.2
109.06541	34.0
109.10183	7.9
111.04436	34.4
111.08109	7.3
113.06007	19.6
115.05451	4.8
116.06271	3.9
117.07025	14.9
119.08587	100.0
121.02868	20.4
121.06509	52.9
121.10157	16.2
123.04449	3.9
123.08059	24.3
125.06042	3.9
128.06248	9.1
129.07011	18.8
130.07800	6.4
131.08585	53.3
133.06509	12.5
133.10138	23.8
135.08066	91.7
135.70195	3.8
137.06032	3.3
137.09616	14.5
139.03923	8.8
139.07568	9.7
141.06941	6.9
142.07790	13.2
143.08594	16.4
144.05727	9.5
144.09364	7.3
145.06499	17.0
145.10144	32.8
146.07275	5.5
147.08080	43.8
147.11725	15.9
149.05978	4.9
149.09647	9.0
151.07559	5.5
153.06979	3.7
153.09109	4.3
155.08536	10.3
156.09366	8.7
157.06499	4.2
157.10136	29.7
158.07256	26.8
158.10970	8.1
159.08073	49.2
159.11702	47.7
160.08853	5.6
161.06006	4.5
161.09636	45.2
161.13283	4.5
163.07562	8.2
165.09138	42.9
168.09364	8.0
169.07654	3.3
169.10194	4.1
171.08133	8.8
171.11674	7.5
172.08856	25.4
173.09636	24.7
173.13295	18.5
175.07562	83.3
175.11163	42.2
177.05458	4.7
177.12781	4.1
183.11745	12.1
185.09647	8.4
186.10373	3.9
187.07526	5.4
187.11205	62.7
188.08437	3.5
189.09113	13.9
189.12746	22.9
193.08627	24.8
193.10144	5.0
196.08907	12.5
199.11177	16.2
201.12764	44.5
203.10658	62.8
205.12286	7.9
207.10101	4.5
211.11171	27.1
217.12234	34.7
219.13835	11.5
229.12221	40.1
235.13313	9.8
247.13293	74.1
265.14352	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
53.03941	0.4
55.01875	0.7
55.05517	1.9
57.03441	1.1
57.07077	0.6
59.05001	0.8
67.05522	3.2
69.03419	0.7
69.07078	2.9
69.43562	2.3
71.04987	1.6
79.05505	2.1
81.03414	0.6
81.07063	3.5
83.04962	0.8
83.08625	2.0
85.06538	0.6
91.05038	0.3
91.05495	3.2
92.25627	0.4
93.07052	4.8
95.04958	0.7
95.08618	7.9
97.06522	1.0
98.97583	0.4
99.08089	1.0
105.07043	6.8
107.08611	6.2
109.02869	0.3
109.06519	1.0
109.10169	4.7
111.04449	0.9
111.08093	2.0
113.09649	0.4
115.05457	1.2
117.07053	2.2
119.08598	14.0
121.02909	0.7
121.06514	2.1
121.10162	6.3
123.08063	1.0
123.11727	0.9
125.06017	0.6
125.09661	0.4
128.06221	0.4
129.07068	0.7
131.08580	3.7
133.06512	0.6
133.10146	24.0
135.08080	2.0
135.11717	2.9
136.56601	0.3
137.09589	0.8
139.07516	0.9
143.08574	1.1
145.06490	2.0
145.10144	8.3
147.08098	0.6
147.11707	4.2
149.09637	2.7
149.13354	0.5
151.07625	0.8
153.09123	0.8
156.05652	0.5
157.10127	1.2
159.08075	1.8
159.11687	4.5
161.09612	4.5
161.13271	1.8
163.07535	1.4
163.11195	1.3
165.09140	1.0
167.07072	0.8
167.10738	0.8
169.10139	0.5
171.11713	0.5
173.05963	2.3
173.09633	1.5
173.13293	1.6
175.11230	2.9
175.14902	0.5
177.09114	2.3
177.12711	1.1
177.16432	0.6
179.10722	2.1
181.10194	0.4
185.13257	0.8
187.07597	0.4
187.11237	1.3
187.14813	2.8
190.06323	1.0
191.10632	1.7
196.05821	0.6
201.12755	0.7
201.16389	5.3
203.07082	0.7
203.17952	2.5
205.08641	2.3
205.12283	1.0
205.15901	0.9
211.14935	0.8
217.08566	1.0
219.17490	2.7
229.15892	3.0
230.46762	0.3
243.88133	0.4
247.09703	0.6
247.13220	0.9
247.17012	6.6
265.18011	100.0
266.18250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1802
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
53.03936	0.7
55.01863	0.8
55.05509	2.5
56.96557	0.7
57.03425	1.0
57.07075	0.6
59.04997	0.7
63.09093	0.3
67.05233	0.3
67.05508	3.7
68.24821	0.3
69.03426	0.8
69.07073	2.9
71.05003	1.7
79.05502	3.7
81.03409	1.2
81.07067	5.2
83.04983	0.9
83.08624	3.2
85.06530	1.3
87.04494	0.4
91.05476	4.5
93.07054	6.2
95.04949	1.5
95.08618	7.0
97.06520	1.3
97.10127	0.6
98.97550	0.8
99.08132	0.9
105.07039	7.3
107.04960	1.0
107.08605	8.7
109.06512	1.5
109.10170	4.0
111.04444	1.2
111.08097	3.3
115.05416	1.2
117.07029	3.0
119.08597	13.8
121.02856	1.3
121.06511	2.3
121.09341	0.4
121.10157	6.9
123.08103	1.4
123.11691	1.0
125.05962	0.9
125.09645	0.9
128.06169	0.4
129.07016	0.9
131.08574	6.3
133.06500	0.7
133.10144	19.3
135.08066	3.3
135.11728	3.3
137.09608	1.3
139.07564	1.0
143.08577	1.2
145.06456	2.5
145.10144	8.6
147.08054	1.5
147.11699	4.0
149.09645	4.3
149.13168	0.6
151.07565	0.6
153.09106	1.4
156.05675	0.6
157.10132	1.3
158.10910	0.5
159.08090	1.2
159.11687	5.2
161.09630	4.1
161.13257	1.8
163.07555	1.2
163.11174	1.7
165.09135	1.0
165.12762	0.4
167.07054	1.1
167.10727	0.8
169.10123	1.3
173.04652	0.4
173.05930	2.4
173.09624	1.2
173.13255	1.8
175.07610	0.5
175.11230	2.2
175.14851	0.9
177.09111	2.2
177.12744	1.0
179.10727	2.1
185.13327	0.6
187.11234	1.1
187.14838	3.5
190.06314	1.0
191.10612	2.0
191.14320	0.4
191.17856	0.4
193.12143	0.4
201.12762	0.5
201.16374	5.5
203.17950	1.6
205.08633	3.1
205.12286	0.7
205.15846	0.5
209.13394	0.4
211.14864	3.1
217.08585	1.3
219.17462	2.2
229.15884	5.0
247.09702	0.8
247.16954	9.7
265.18002	100.0
266.18253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Cantabrenolic acid methyl ester
Peak:m/z	Relative Intensity
55.05502	9.4
57.07073	6.6
63.43347	2.9
67.05495	13.2
69.07063	16.1
71.05019	3.6
71.08668	3.4
78.51209	2.7
79.05495	14.4
81.07059	23.4
83.04981	13.2
83.08612	10.5
91.05492	15.3
93.07056	33.4
95.04989	7.1
95.08620	50.9
97.06503	8.7
97.10198	3.6
98.20671	5.0
105.07049	31.4
107.08599	57.1
109.06479	3.9
109.10170	35.6
111.08046	4.3
111.11745	3.7
117.07026	6.1
117.39069	3.0
119.08591	37.3
121.10155	31.6
123.08125	3.7
123.11716	13.8
125.09631	5.8
130.40190	3.2
131.08539	10.6
133.06531	4.3
133.10153	39.4
135.08072	4.8
135.11710	70.8
137.13264	6.6
139.07462	3.4
145.10159	30.1
147.11716	12.8
147.59473	2.9
149.09644	3.7
151.07555	11.7
159.08070	7.2
159.11678	16.3
161.13235	5.4
163.11191	3.7
173.09663	4.0
173.13292	7.7
175.14810	15.8
177.09149	11.5
177.12650	3.9
177.16383	8.4
187.11255	4.0
187.14774	17.5
189.16411	28.3
190.17245	14.5
191.10710	8.4
191.17950	10.2
196.96631	4.1
201.16414	29.2
203.17995	3.3
211.14844	4.0
219.17480	12.7
229.15865	28.2
241.98535	3.9
247.16949	61.6
256.00430	3.3
265.00342	6.2
265.18021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74408	0.3
53.62703	0.4
54.76477	0.3
65.18053	0.3
69.51636	1.2
69.52048	1.1
73.15122	0.4
82.99860	1.1
98.20752	0.6
101.00892	5.9
119.01922	7.5
120.02079	0.4
130.36420	0.3
137.03018	0.5
137.65897	0.3
138.28891	0.3
140.18509	0.3
140.98848	1.1
142.03491	0.7
158.99901	3.9
163.26637	0.3
163.98810	0.3
170.48961	0.7
170.98758	0.4
175.03030	0.6
177.00958	14.6
178.01028	0.4
178.99570	0.4
179.49461	1.1
179.99530	0.7
180.78143	0.3
181.99702	1.2
182.99890	1.6
190.61836	0.3
191.00201	1.8
191.50293	0.9
198.94289	0.6
199.03069	0.5
201.00951	4.3
201.02467	0.6
216.95195	0.5
217.04121	2.4
219.02016	20.9
220.02112	1.8
225.00827	3.1
230.98170	0.7
231.48193	0.5
242.95364	0.7
243.01967	14.5
248.95956	0.4
256.96573	0.4
258.96478	0.7
261.03070	100.0
262.03165	1.2
263.03278	0.3
276.97446	0.4
283.97742	0.5
284.04645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0866
Annotation	Diaportinol
Peak:m/z	Relative Intensity
55.01872	2.5
56.96576	7.4
57.03443	4.0
57.07073	1.1
61.01152	0.8
61.02932	8.4
62.99079	1.3
65.03947	1.9
67.05505	3.0
67.07183	0.8
68.99799	1.0
69.03433	6.6
69.07071	15.2
70.06599	4.8
71.04978	2.1
71.53815	1.4
73.02921	5.6
79.05485	1.7
81.03411	2.9
81.07052	2.2
81.27248	0.8
83.04972	2.0
84.04485	1.0
84.96037	2.0
85.02908	11.5
85.06551	1.0
87.04472	1.4
87.08105	5.7
91.05490	5.3
93.03386	1.2
93.07047	1.1
95.04970	1.8
97.02902	12.2
97.06542	0.8
98.97583	10.3
99.04461	1.2
103.03958	6.1
103.05456	3.9
105.00105	7.2
105.03402	1.4
105.07011	2.4
105.09151	2.6
107.04993	1.5
109.02885	7.0
110.97567	4.3
111.04455	2.8
113.02378	1.2
115.05453	4.8
116.98593	4.6
119.01846	1.7
119.04945	11.2
120.08122	3.4
121.02867	1.8
121.06482	1.7
123.01140	6.4
123.04440	2.0
125.05988	2.0
127.03922	6.9
128.98624	3.7
131.04927	1.9
133.02859	6.0
133.06480	3.5
134.03621	2.0
134.06020	1.3
134.99619	1.0
135.04494	0.9
136.06197	12.3
136.07283	1.2
136.07623	1.1
137.05998	5.6
139.03954	4.3
140.04648	1.3
141.05476	2.2
143.04922	1.8
145.04961	1.6
146.99640	1.3
147.04416	23.8
149.06020	2.5
150.03160	1.2
150.05527	4.2
151.07594	1.6
152.07091	1.1
153.00729	1.0
153.01849	4.7
153.05489	25.5
158.99712	1.8
159.04402	2.0
161.05960	8.7
162.03134	11.6
163.03902	4.0
164.02316	3.1
164.04655	1.0
164.07066	3.6
165.05463	4.9
167.07071	1.9
170.99611	1.4
171.04454	2.8
173.01254	1.3
173.02818	3.0
174.01790	1.2
175.03983	4.8
175.07533	1.6
175.12430	1.1
176.04697	1.7
177.00826	1.8
177.05481	100.0
179.03098	1.2
179.06917	6.3
179.08247	2.6
180.03571	6.9
181.04994	1.2
181.98909	1.6
185.01268	1.1
189.04086	4.9
189.05592	6.9
191.07054	2.6
192.04179	11.0
193.04608	1.6
199.03941	1.2
199.99924	1.9
203.02293	1.1
203.07030	8.3
203.11772	2.1
205.05000	8.2
207.06516	24.5
215.02184	1.0
216.04410	0.9
219.01822	2.4
219.06554	2.0
221.08115	1.1
228.04662	2.0
229.00322	1.5
231.06580	9.2
237.02821	2.5
237.07602	1.7
246.05760	1.7
249.05159	3.0
249.07651	6.9
249.12279	3.3
258.03717	1.2
265.05157	0.9
267.04257	1.3
267.08618	14.5
267.13510	8.2
267.19751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.123
Annotation	Goniothalesdiol A
Peak:m/z	Relative Intensity
55.01866	2.4
55.05510	5.0
57.03454	1.7
63.86292	1.0
67.05502	3.3
68.99805	1.6
69.03430	2.6
69.07048	3.4
70.06623	1.0
71.04987	1.1
71.53905	1.4
75.31287	1.2
79.05502	3.9
81.03410	1.9
81.07053	4.7
83.04989	11.2
85.02909	2.1
85.06535	1.4
91.05498	6.5
93.07028	1.9
95.04970	6.2
95.08608	3.4
95.72042	1.3
97.02900	1.9
97.06532	5.8
105.03394	1.9
105.07045	9.7
107.04961	3.9
107.08591	2.5
108.02119	2.1
109.02898	4.9
109.06501	2.5
109.10203	1.4
110.15361	1.1
111.04443	1.3
115.05473	1.7
116.06255	2.1
117.07004	2.1
119.04984	1.6
119.08585	4.5
121.06505	1.4
121.10147	1.4
123.04453	11.4
124.05295	1.7
125.05981	1.4
128.06242	5.2
129.07018	11.7
131.08559	8.2
132.05757	2.0
133.06508	6.8
133.10161	3.5
134.54660	1.2
135.11703	1.0
136.01563	11.2
137.02399	1.5
137.05943	1.2
139.07547	1.3
140.04671	1.6
140.52141	1.2
141.06987	3.6
142.07895	2.1
143.08565	3.0
144.05731	3.3
145.06479	3.0
146.07263	3.7
147.04419	4.4
147.08040	2.6
147.11731	1.5
151.03903	2.4
151.07544	1.9
153.05489	4.9
153.06943	1.4
154.02620	7.4
155.03427	3.1
157.06505	3.9
159.08072	9.9
161.06044	2.0
161.09648	10.7
164.01031	5.7
167.07051	3.8
169.04967	4.3
170.05768	9.3
170.07176	2.6
171.07951	1.6
172.05176	1.4
173.06029	2.9
174.06779	2.4
175.07565	2.4
179.03403	4.4
181.34070	1.2
182.02107	14.9
183.02963	1.7
183.06549	27.9
183.08076	2.4
185.06079	1.4
187.07538	5.8
189.09163	9.5
191.07132	1.4
193.05045	2.1
193.08647	2.1
197.04478	100.0
200.03185	7.6
203.07066	3.3
204.07861	3.4
207.06561	3.0
207.10117	2.0
211.06006	7.6
217.08641	17.3
218.09427	1.6
219.06496	6.4
219.10248	3.1
231.10271	2.6
234.08940	10.4
235.07544	1.4
235.09706	4.4
237.11284	2.2
249.11258	63.8
249.15025	2.6
267.12418	24.9
267.15686	3.5
267.21124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.123
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03951	1.2
54.43136	0.9
56.96578	0.9
57.03426	0.9
67.05525	1.9
69.03450	1.0
69.91199	3.7
71.04995	0.9
79.05493	2.4
81.03439	7.3
81.07068	1.3
82.03766	2.0
83.04983	0.8
83.08647	0.8
85.02915	2.2
91.05497	5.0
93.07038	2.2
95.04989	1.6
95.08607	1.7
97.02932	0.8
97.06635	0.7
98.97602	1.1
103.05489	1.4
105.00121	1.1
105.03409	6.2
105.07031	4.0
107.04973	1.6
107.08588	2.0
109.02890	13.7
110.03219	7.5
111.04477	0.9
115.05449	4.1
116.06229	1.4
117.07033	0.9
121.06546	1.0
121.13000	0.7
123.04466	1.2
125.09690	1.4
127.03952	1.6
128.06229	5.2
129.07016	11.8
131.04991	2.3
131.08582	12.9
132.05754	1.3
133.06514	3.7
133.10162	1.5
141.06970	5.2
142.07768	1.5
143.08595	2.5
144.05733	6.7
145.06506	3.3
146.03653	2.0
146.07286	1.7
147.04424	1.6
151.06006	1.0
153.07018	0.9
153.09132	2.0
155.06114	1.4
156.05640	0.9
157.06491	5.2
158.07303	1.4
159.08073	19.3
161.05988	4.6
161.09650	4.5
163.04010	1.1
167.07016	1.8
169.07645	2.6
170.07253	5.1
171.08066	3.0
172.05225	1.4
173.06061	2.6
175.07593	2.4
177.05534	1.4
178.06250	9.5
179.03522	1.1
179.07033	2.3
187.07545	14.4
189.05510	2.4
189.09105	6.2
190.06279	1.1
191.07135	2.2
193.08569	4.5
199.07623	2.0
203.07071	3.3
204.07837	8.3
205.08540	2.0
207.06477	0.9
216.07814	2.1
219.10190	6.7
221.11803	3.5
231.10178	4.7
237.02815	0.9
237.11208	2.8
249.11247	100.0
267.08295	1.0
267.16599	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	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.02109	0.9
51.02386	0.7
51.39949	0.7
53.13164	0.7
55.05511	1.4
57.03438	1.2
58.25838	0.8
65.85423	0.7
67.05508	1.8
68.11478	0.7
69.03431	1.5
70.70039	2.3
79.05518	1.9
81.03430	3.4
81.07069	1.9
83.04978	1.3
83.08615	1.0
91.05491	6.5
93.07072	2.2
95.04978	1.4
95.08605	2.2
98.97618	1.0
98.98485	0.8
103.05475	1.2
105.03376	1.0
105.07034	3.5
107.04947	2.3
107.08601	1.5
109.02883	0.9
109.10178	2.0
111.74605	0.7
115.05488	4.0
116.06241	2.3
117.06992	1.3
119.08561	2.5
121.10186	2.0
123.11707	0.8
128.06224	4.7
129.07007	13.3
131.04893	1.0
131.08583	11.7
132.05763	0.8
133.06522	1.9
133.10146	2.9
135.08032	1.2
135.11688	1.5
139.07570	0.8
141.07001	4.7
142.07758	2.4
143.08582	2.7
144.05725	7.5
145.06535	4.2
145.17110	0.8
146.07283	2.6
147.04376	1.1
147.11676	1.2
153.07008	1.7
157.06487	5.1
159.08076	20.9
161.05988	3.2
161.09599	5.0
163.11179	0.8
167.07077	1.1
169.07697	1.9
170.07292	5.5
171.08043	4.4
171.11613	1.1
172.05257	2.2
173.06061	3.2
174.06801	1.6
175.07503	1.6
175.11116	0.9
187.07559	14.4
189.05502	1.8
189.09126	6.5
190.06242	1.1
191.06995	1.8
199.07520	2.2
201.05515	1.2
203.07083	3.6
204.07820	7.9
205.08574	1.6
207.10168	0.8
216.07797	2.9
218.09314	1.0
219.10223	8.4
221.11729	2.6
221.44858	0.8
229.08928	1.0
231.10127	4.3
231.13835	1.1
234.08928	1.0
237.11232	3.6
249.11255	100.0
267.10114	1.8
267.16000	5.5
277.15637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03934	3.7
55.01858	2.4
55.05513	6.9
57.03440	21.4
57.07060	1.0
67.05177	0.8
67.05505	10.1
69.03430	2.1
69.07054	2.6
69.55596	1.4
69.55999	4.6
71.04975	1.3
79.05498	10.9
81.03420	100.0
81.07059	14.7
83.04962	5.6
83.08620	16.4
87.39114	0.8
91.05482	18.4
93.07050	8.2
95.04973	22.9
95.08617	6.3
97.02884	2.5
97.06521	1.5
97.10151	2.3
98.20758	1.6
104.68554	0.9
105.07037	13.8
107.04955	4.9
107.08573	5.0
109.06499	3.3
109.10149	2.1
111.04451	1.8
111.08086	8.4
115.05478	1.0
119.08587	11.8
121.06493	3.1
121.10149	5.4
123.08075	1.9
125.54071	0.7
127.61108	0.9
129.07011	8.9
131.08575	7.1
133.06487	2.5
133.10092	4.2
137.09596	1.5
142.07790	2.6
145.10130	1.1
147.08018	2.5
147.11713	8.1
149.00821	0.8
149.09633	4.8
157.10120	9.6
165.12830	1.8
167.18242	0.9
175.11192	9.8
193.12245	21.6
205.12114	0.8
211.13304	3.1
249.14859	1.0
251.83040	0.8
267.15918	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.52022	0.5
53.03942	3.0
55.01871	2.3
55.05508	5.9
56.96557	2.6
57.03440	17.6
57.07065	0.6
67.05507	9.9
69.03416	2.6
69.07061	2.6
70.78880	1.7
71.04991	1.6
79.05495	13.5
81.03419	100.0
81.07056	11.6
83.04980	5.4
83.08620	14.5
85.06540	1.0
91.05485	18.5
93.07034	7.5
95.04971	20.7
95.08607	4.7
97.02885	2.2
97.06516	1.7
97.10155	1.7
99.08102	1.0
105.07034	14.2
107.04958	4.8
107.08608	2.7
109.06501	2.9
109.10139	1.1
111.04442	1.7
111.08085	7.7
111.58842	0.6
115.05429	1.3
117.06987	0.9
119.04884	0.6
119.08588	12.4
121.06498	2.0
121.10132	5.4
123.08070	2.2
123.11725	0.6
128.06230	0.7
129.07005	7.6
131.08557	6.2
133.06485	2.6
133.10132	4.6
137.09599	1.6
139.00603	0.7
142.07787	2.6
145.10144	1.3
147.08044	2.7
147.11674	8.6
149.09602	4.2
155.40776	0.6
157.10144	8.9
163.11165	1.1
165.12776	2.5
167.03828	0.7
175.11171	9.6
180.51889	0.5
185.04985	0.8
193.12253	20.9
203.05865	1.0
207.82201	0.6
211.13336	3.3
223.13268	0.8
237.14876	0.8
249.07899	0.8
249.14903	1.9
267.09109	8.4
267.15894	67.0
285.10089	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03943	2.8
55.01873	2.0
55.05510	6.0
57.03438	18.6
64.02354	0.7
67.05504	11.0
68.94769	0.6
69.03417	1.9
69.07066	2.3
69.88935	3.6
71.04996	2.0
73.14822	0.6
79.05496	10.3
81.03418	100.0
81.07056	10.4
83.04993	5.1
83.08621	14.1
91.05486	16.7
93.07048	7.1
95.04967	17.4
95.05556	0.9
95.08595	5.2
97.02886	1.5
97.06551	1.5
97.10170	1.1
98.98477	0.9
105.07031	12.5
107.04947	4.3
107.08586	3.6
109.06513	3.1
109.10162	1.9
111.04459	1.2
111.08083	6.3
115.05475	1.2
117.07006	1.4
119.04993	0.9
119.08576	9.6
121.06499	1.9
121.10118	3.6
123.08079	1.6
123.11663	0.8
128.06181	0.9
129.07004	7.3
131.08575	6.3
133.06499	2.4
133.10127	3.7
142.07782	1.9
145.10072	1.5
147.08026	2.2
147.11678	6.9
149.09598	3.6
157.10120	8.5
165.12762	1.5
175.11186	8.8
178.02972	0.6
193.12253	22.3
211.13292	2.8
223.13231	0.7
249.14870	1.2
267.15918	65.3
280.94855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
50.25740	0.8
53.03936	3.4
55.01863	3.0
55.05304	0.8
55.05516	9.7
55.97296	1.0
57.03441	21.6
57.07077	2.6
57.75252	0.8
59.04993	0.9
65.03951	1.3
67.05183	1.2
67.05511	17.3
69.03423	3.4
69.07068	9.8
71.04977	2.8
71.53567	2.1
79.05500	19.9
81.03425	100.0
81.07063	24.0
83.04996	7.0
83.08167	1.0
83.08633	18.8
85.02872	0.9
85.06537	3.8
85.42773	0.8
91.04912	1.0
91.05484	25.5
93.07059	22.3
95.04979	20.5
95.08618	27.9
97.02879	2.3
97.06532	3.6
97.10163	3.6
98.98483	1.2
99.08112	1.1
105.06388	1.6
105.07041	22.1
107.04978	5.9
107.08602	23.0
109.06524	5.6
109.10163	11.8
111.04433	1.7
111.08089	8.2
111.11707	1.6
115.05424	1.1
117.07051	2.5
119.04926	0.9
119.08591	53.9
121.06509	2.5
121.10150	17.1
123.08080	2.8
123.11731	3.6
125.09599	1.9
125.79877	1.1
127.07519	1.3
129.07005	7.6
131.08591	9.7
133.06508	2.8
133.10139	26.0
135.08069	2.5
135.11708	12.8
137.06055	0.9
137.09645	2.1
139.07547	4.1
141.09184	1.1
142.07782	3.6
145.10110	2.5
147.08078	4.2
147.11699	22.4
149.09641	4.9
149.13280	2.4
151.11121	1.2
153.09100	11.5
157.10143	11.8
159.11670	1.1
161.13271	2.7
163.11261	1.1
163.14856	1.4
165.09122	3.9
165.12802	3.1
167.10687	1.8
171.11803	1.1
175.11192	11.6
175.15016	1.3
179.10696	3.9
184.31177	1.0
187.14851	3.3
189.16397	65.5
193.12268	27.3
203.17964	1.7
207.13994	1.2
207.17468	19.2
211.13278	4.3
213.16418	2.9
231.17474	8.0
249.14754	2.4
249.18526	65.1
267.15939	74.6
267.19543	11.2
285.10083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01866	0.3
56.49167	0.2
56.96549	0.2
57.03434	0.5
69.03436	0.2
71.35335	0.2
73.02928	0.3
85.02912	0.5
94.04085	0.3
98.97604	0.2
112.07612	0.2
119.03569	0.6
120.63533	0.2
124.03917	0.2
128.01392	0.2
136.06190	100.0
137.04564	0.3
146.39969	0.2
146.56467	0.1
156.03366	0.2
166.12643	0.2
177.05405	0.2
178.05811	0.3
222.07603	0.2
268.10406	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03947	2.8
55.01860	3.6
55.05513	21.1
57.03438	40.0
57.07052	4.1
59.09680	1.5
67.05506	78.1
69.06728	2.0
69.07073	36.3
71.01351	1.6
71.04972	7.5
71.08638	1.8
71.54501	2.1
79.05067	2.2
79.05496	35.9
81.03407	2.6
81.07059	100.0
83.04980	9.8
83.08211	1.8
83.08627	20.4
84.08156	1.9
85.02895	1.9
85.06538	8.2
89.46387	1.7
91.05482	23.1
93.07047	72.5
93.63366	1.8
95.04955	5.9
95.08606	27.4
97.06528	18.4
97.10164	3.2
99.08078	4.5
105.07034	10.8
107.08598	44.4
109.06493	3.4
109.10131	6.4
111.08095	9.7
113.05972	1.9
117.07030	10.6
119.08543	4.9
121.10148	25.7
123.11718	4.1
131.08572	11.0
133.10141	9.8
135.08061	2.3
135.11714	13.5
139.11153	3.8
145.10112	3.5
147.11584	2.3
149.13254	53.8
151.11122	1.6
157.10139	2.1
159.11719	23.3
165.12776	1.6
167.14285	1.9
171.11580	2.1
177.12770	11.7
195.13815	15.8
213.14684	2.2
237.10007	1.8
237.79027	1.7
251.20096	3.7
269.17422	66.7
269.22443	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	4.4
54.32968	2.5
55.01860	2.5
55.05512	20.2
57.03440	40.5
57.07061	5.2
63.06333	2.3
67.05507	83.7
69.07068	39.1
69.21790	27.3
71.04978	9.3
79.05495	54.3
81.06584	5.3
81.07058	100.0
83.04990	13.4
83.08618	24.3
85.06534	7.3
91.05482	20.4
93.06472	5.6
93.07038	71.5
95.04947	3.3
95.08604	30.3
97.06520	17.6
98.20795	6.2
99.08094	8.0
104.99255	9.8
105.07016	9.4
107.08597	51.5
109.06516	4.8
109.10139	7.3
111.08074	11.0
117.07006	11.5
119.08672	2.9
121.10139	29.5
131.08580	9.7
133.10114	10.5
135.11702	12.9
139.11137	3.3
145.10164	3.2
147.11687	4.5
149.13269	69.0
159.11687	27.1
174.03232	2.5
177.12660	13.2
177.63768	2.6
185.13344	2.9
191.46114	3.3
195.13770	23.3
269.17456	71.0
269.22385	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.41108	0.7
53.03922	2.8
54.28648	0.9
54.95041	0.8
55.01856	4.0
55.05515	20.6
57.03440	33.1
57.07079	4.2
57.07306	0.8
59.81291	0.8
65.03924	3.5
67.05507	74.4
69.03408	2.4
69.07070	33.1
70.88729	1.6
71.04993	6.3
73.02913	1.6
79.05495	39.6
79.99516	1.0
81.03407	2.3
81.07059	100.0
83.04982	10.6
83.08155	1.2
83.08624	20.8
85.06538	6.9
91.04972	1.4
91.05483	20.4
93.07048	73.3
95.04981	6.2
95.08611	28.8
97.06017	1.1
97.06538	13.6
97.10136	2.5
97.26172	1.0
98.97575	1.1
99.04463	2.0
99.08090	4.9
105.07034	9.7
107.04936	1.3
107.08598	44.7
109.02899	1.1
109.06498	4.9
109.10158	8.2
111.08102	10.5
111.11710	1.5
113.05994	1.5
113.09602	1.6
117.07014	8.6
118.95853	0.8
119.08609	6.7
121.06489	2.1
121.10142	27.2
123.08066	1.2
123.11699	2.9
125.09612	1.6
131.08571	12.3
133.10144	9.5
135.08022	3.7
135.11699	10.0
137.09560	1.1
139.11166	3.8
143.08554	2.5
145.10135	3.0
147.11702	4.1
149.09561	1.2
149.13261	55.5
151.11168	1.3
153.09065	1.0
157.10101	2.8
159.08014	1.9
159.10445	1.5
159.11690	20.2
161.13251	1.2
165.12726	1.5
167.14307	1.7
171.11684	1.3
173.13271	2.1
173.58958	0.9
175.14812	1.2
177.05557	1.2
177.12753	12.5
185.13206	2.0
195.12006	1.0
195.13818	19.0
199.14864	1.5
213.14752	1.6
232.43405	0.9
234.00185	0.9
241.08670	0.9
244.85318	0.9
251.16446	1.3
269.07990	2.6
269.17444	68.0
269.22546	7.3
284.01608	0.9
288.87732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03945	4.6
55.01857	7.3
55.05513	26.4
56.96550	5.6
57.03443	34.2
57.07073	5.9
65.03922	4.0
67.05510	71.2
69.03407	4.8
69.07070	32.6
71.04982	9.0
71.08617	2.2
71.54549	2.5
79.05493	51.2
81.03405	4.7
81.07056	100.0
83.04971	8.9
83.08626	14.8
85.02848	3.0
85.06524	9.1
91.05490	25.2
93.07047	74.7
95.04952	10.4
95.08609	40.5
97.02911	2.3
97.06530	15.0
97.10192	2.7
98.97581	10.1
99.04437	3.0
99.08090	7.8
105.07029	20.6
107.08605	45.4
107.53385	2.1
109.06504	6.7
109.10184	12.3
111.04446	2.7
111.08070	10.3
116.98670	3.7
117.07029	11.4
119.08580	14.6
121.06471	4.5
121.10146	34.3
123.08057	5.2
123.11728	6.0
127.03883	2.9
131.08571	16.6
133.10107	19.2
135.08072	4.5
135.11661	16.1
137.09589	3.2
137.13199	2.2
139.11203	3.5
143.08527	4.4
145.10120	9.0
147.11671	8.1
149.09682	3.7
149.13264	56.1
154.87807	2.1
157.10100	6.0
159.08080	2.9
159.11690	25.2
161.09631	2.6
161.13240	4.7
163.14781	2.6
171.11702	6.3
173.13293	4.8
175.14729	2.8
177.00723	3.0
177.12721	11.0
184.17033	2.4
185.13293	3.3
187.14810	3.4
195.13817	19.3
199.14761	3.9
209.09633	2.7
213.16344	3.0
219.01743	2.8
231.90146	2.1
233.15353	3.5
241.05046	2.1
241.08595	2.4
245.22150	2.1
246.69409	2.6
248.06319	2.7
248.61572	7.6
251.16199	3.6
251.20149	4.1
257.41190	2.0
257.62045	2.8
260.69025	3.9
269.05484	2.5
269.08124	11.4
269.11218	4.1
269.13007	3.7
269.17380	62.3
269.22284	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	270.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00909	2.2
55.01881	5.4
55.05510	5.0
57.03442	15.6
58.99878	4.1
61.02930	12.2
67.05495	3.2
69.03434	20.9
70.32220	8.2
70.99855	2.4
71.04977	3.9
71.15848	1.9
73.02909	22.2
77.00906	2.4
81.03411	9.3
81.07037	2.9
82.01444	2.2
82.99870	5.3
83.08625	3.1
85.02902	40.2
85.06547	2.5
88.07652	2.9
91.03961	2.5
95.05003	2.5
97.01400	8.0
97.02892	25.7
99.04456	4.7
100.02518	6.8
101.00882	60.2
101.02391	2.2
108.08982	2.3
109.02898	7.4
109.06512	3.0
111.02898	3.2
113.00878	7.6
113.02376	6.2
114.02522	2.2
114.14285	2.2
115.02441	28.9
119.01926	100.0
122.06029	6.0
123.02882	4.4
126.98738	2.6
127.02422	4.3
127.03910	10.0
129.01933	2.1
129.03963	4.8
129.05452	3.0
131.01927	19.8
132.03438	4.1
132.05293	3.4
133.02527	3.6
133.03458	24.7
137.02928	13.5
138.03407	5.2
138.05292	6.6
139.03918	2.5
143.01901	20.4
144.03365	3.9
144.99860	8.2
145.03479	9.5
145.04965	8.6
147.01372	2.6
147.03979	5.3
147.05055	5.1
149.03023	2.9
151.04411	3.9
153.03995	7.2
155.01921	12.6
156.05214	2.8
157.03468	9.8
159.01430	2.6
159.05069	5.9
161.02937	24.2
162.04439	2.9
165.04012	4.4
166.04810	3.8
167.01883	3.8
168.99834	17.9
169.03380	2.9
170.06529	2.1
171.01372	12.0
171.05109	2.1
172.99318	2.2
173.02998	20.4
174.04469	10.8
174.06343	8.7
175.04498	3.0
175.08128	3.5
177.02495	2.3
183.05019	17.0
183.06857	25.7
184.04500	3.4
184.05957	2.6
185.02988	15.4
185.06656	3.5
187.00902	28.4
187.04454	3.0
189.02383	14.3
191.04034	4.1
192.05525	27.1
192.07170	4.2
196.99356	15.9
197.02959	3.1
199.00876	2.9
201.02463	5.2
201.06091	6.5
203.04094	10.0
203.07648	4.6
205.01947	3.1
206.11815	6.2
207.03529	5.3
210.11261	7.3
212.04015	9.9
213.02444	3.3
215.00374	56.3
215.02269	4.3
215.03871	3.5
217.01941	5.4
219.03589	6.2
221.05048	8.6
224.09152	2.5
227.04021	4.7
229.01965	9.4
231.03575	2.5
233.01413	23.0
238.01936	4.7
245.05115	9.1
247.02971	25.5
251.02478	29.6
252.12306	18.0
256.03003	36.2
257.05072	4.1
265.04083	6.0
270.05865	6.3
270.13586	12.3
271.06027	3.4
274.04086	16.6
275.02386	3.2
275.05994	3.0
277.45389	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	270.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01881	1.9
55.05507	1.9
56.96562	3.3
57.03448	7.0
58.99863	3.1
61.02942	7.4
61.20121	1.4
67.05507	2.2
69.03442	12.7
69.23430	10.4
70.06568	2.6
70.99843	4.6
71.04991	1.4
73.02919	10.2
74.06052	1.2
77.00916	1.9
81.03428	7.1
81.07065	1.2
82.01435	3.1
82.06577	2.0
82.99837	11.5
83.04997	1.7
85.01427	1.5
85.02911	26.1
87.04479	2.8
89.00873	2.6
97.01411	8.9
97.02904	17.2
98.06045	1.6
98.21623	1.7
98.97598	2.8
99.04440	3.2
100.02496	6.3
101.00891	79.2
103.02469	1.3
104.39828	1.0
109.02884	8.4
111.02948	2.2
111.04491	1.5
113.00862	8.9
113.02339	1.8
114.05509	1.2
115.02448	25.7
115.03853	1.0
117.03979	2.4
118.03474	1.4
119.01933	100.0
122.06049	4.3
124.02438	1.6
124.07587	1.1
126.98789	4.5
127.02395	2.3
127.03928	8.5
127.25146	1.2
129.03970	6.7
131.01915	13.8
133.03481	18.0
136.06209	1.8
137.02968	11.3
139.02336	1.6
139.04060	1.7
142.03487	3.3
143.01903	15.5
144.03380	1.9
144.99860	6.6
145.03514	6.2
145.04950	4.9
147.01408	1.6
147.02962	1.4
147.05008	3.3
148.50157	1.3
149.02940	1.7
151.04477	1.9
153.03966	2.0
154.03484	1.4
155.01918	6.0
156.05017	1.1
157.03482	10.8
158.06628	8.1
159.01373	6.1
159.05045	3.1
161.02988	10.4
163.04510	1.2
165.03972	1.4
166.03563	1.9
167.01845	2.8
167.03624	1.3
167.05511	3.5
168.99846	27.2
169.03395	2.3
170.06619	2.2
171.01418	6.1
172.99304	4.2
173.02979	11.1
174.04510	4.6
174.06306	5.0
174.07910	1.4
175.04533	3.8
176.04356	1.8
176.07693	3.1
177.00974	1.2
177.02460	4.7
180.04575	1.7
182.03004	2.0
183.05029	5.9
183.06854	3.7
183.55157	1.2
184.04546	1.9
185.03000	9.8
185.06604	2.6
187.00922	39.6
187.02620	2.2
187.04529	3.4
188.07709	7.1
189.00806	1.2
189.02419	7.4
191.00270	1.4
191.03978	4.8
191.05782	1.2
192.05615	6.3
196.99324	20.3
198.06100	1.8
199.00987	1.8
199.04527	2.1
200.07616	1.9
201.02467	8.3
201.06049	2.8
202.05714	1.4
203.04091	7.7
203.56494	1.6
204.04079	1.2
205.01945	6.9
206.11809	2.3
207.03549	3.4
209.03065	1.4
210.11179	1.8
212.04126	3.3
214.05621	1.6
215.00394	69.5
217.01941	2.9
219.03479	3.9
221.05113	5.6
223.02982	1.5
224.07635	2.9
224.12794	1.4
226.05602	4.3
229.01924	9.2
231.03401	1.8
233.01457	24.5
233.05061	2.7
238.02003	5.1
240.04654	1.6
242.08804	2.5
244.06764	2.0
245.05118	4.5
247.03012	28.5
251.02510	24.6
252.03291	1.7
252.12347	8.9
256.03040	31.7
265.04022	6.8
270.04684	4.5
270.08234	9.2
270.13315	2.1
270.15927	1.7
274.04077	14.9
275.02545	2.5
275.06113	3.1
287.09747	1.7
288.06067	2.0
288.09433	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	270.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32803	1.6
53.03938	2.4
55.01869	6.7
55.05519	2.5
57.03436	17.2
58.99868	3.2
61.02934	16.8
62.31859	1.7
65.29285	1.4
67.05506	3.5
69.03436	26.2
70.06588	2.1
70.99859	4.5
71.01352	2.1
71.04986	3.6
71.53636	1.8
73.02920	26.4
77.00905	1.9
81.03416	11.5
81.07064	3.1
82.01477	2.3
82.99864	5.8
83.04963	2.5
83.08646	1.4
85.02425	3.1
85.02913	41.1
85.03431	2.0
85.06535	1.9
86.99348	1.6
87.00807	2.7
87.04465	2.4
89.00909	2.0
91.03933	3.4
93.01897	2.3
94.02682	2.2
96.02419	2.6
97.01402	4.7
97.02897	39.8
99.04467	5.1
99.71555	1.4
100.02509	4.2
101.00887	56.9
102.02413	2.6
103.02442	2.9
108.02430	2.8
109.02885	5.9
109.06532	1.9
111.02934	4.4
111.04488	1.9
113.00874	7.9
113.02351	7.9
114.02460	2.1
115.02453	25.4
115.03223	3.6
117.03987	2.4
118.03536	2.6
119.01931	100.0
121.01693	2.4
122.06003	3.0
123.02959	3.4
125.02697	2.1
126.98836	2.0
127.02419	3.9
127.03924	12.1
129.00391	1.8
129.01947	1.5
129.02985	2.7
129.03999	7.7
131.01884	17.5
131.03439	3.7
132.03473	3.2
133.03476	25.8
135.02974	2.9
135.05067	3.8
137.02972	12.0
138.03459	5.2
138.05293	3.9
139.02446	1.8
141.00288	2.9
142.03510	3.2
143.01906	23.3
144.03442	7.7
144.99818	5.4
145.03441	11.8
145.05026	7.2
147.01399	2.9
147.02930	1.9
147.03990	3.1
147.05037	5.5
149.02956	3.3
150.03372	1.8
153.04013	8.8
155.01897	15.8
156.05061	2.5
157.03464	8.3
159.01428	10.8
159.05115	1.7
160.06551	3.4
161.02953	15.0
165.01352	1.6
165.03993	6.0
166.04808	3.4
167.01945	4.0
167.03741	1.9
168.99821	21.8
169.03481	4.8
171.01416	8.7
171.05051	2.6
173.02962	22.7
173.53838	2.0
174.03078	2.8
174.04507	14.0
174.06293	7.4
174.08937	1.5
175.04541	3.8
176.04274	2.1
177.02426	4.7
182.03006	4.0
183.05020	9.3
183.06860	12.0
185.02957	14.7
185.06567	2.4
187.00891	29.1
187.04535	3.8
189.02368	11.1
191.04039	5.9
192.05545	23.8
195.01515	1.7
196.99287	15.7
197.02908	3.2
198.03673	2.4
199.00919	3.7
201.02435	6.8
201.06111	5.7
203.04007	12.9
205.01952	5.3
206.11682	2.2
207.03496	6.4
209.02998	2.4
210.02435	2.4
210.11270	18.5
211.04604	1.7
212.04124	5.4
213.02473	2.9
215.00385	48.9
215.03929	3.4
217.01976	6.9
219.03465	4.7
221.05083	10.4
227.03996	2.1
229.01987	5.9
229.59999	1.7
230.05072	2.0
233.01404	15.1
235.06569	4.3
238.01973	3.2
245.05133	8.8
247.02994	20.8
251.02505	20.1
252.12206	7.9
256.03064	22.3
263.06107	1.6
265.04001	5.4
270.05930	4.3
270.13403	16.5
274.04041	8.1
275.02505	3.0
275.06039	2.5
285.01132	2.0
288.05780	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	271.0967
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03944	0.9
53.98829	0.5
55.01882	4.4
55.05505	0.7
56.96568	0.9
57.03430	0.9
65.03935	1.5
67.05497	1.4
68.99815	0.8
69.03438	1.1
69.07049	0.7
70.16634	0.5
71.04966	0.9
71.53771	0.9
73.02898	0.5
79.05490	1.7
81.03407	1.9
81.07069	3.9
83.04987	1.3
85.02905	1.1
85.06547	0.8
89.03915	1.2
91.04973	0.9
91.05495	10.6
93.07060	1.2
95.05011	2.3
95.08619	1.0
97.02885	0.7
97.06545	0.7
98.09684	1.4
98.97581	1.9
103.05471	1.1
105.07010	1.7
107.04959	4.6
107.08551	0.9
109.02890	1.7
109.06538	1.0
109.10184	0.8
110.97576	0.7
111.04494	0.7
115.05470	3.3
116.10737	1.3
116.98655	0.7
117.03345	0.9
118.04168	2.0
119.04964	8.8
119.08603	0.8
121.02862	0.8
121.06554	3.4
121.10181	0.9
122.03651	0.5
123.04427	1.3
123.08083	0.5
124.05218	0.6
125.05954	0.6
127.03909	0.7
128.06212	0.7
129.07002	2.2
131.04855	0.8
133.02888	0.6
133.06496	1.1
134.03609	1.3
135.04422	1.4
137.06001	6.1
137.09534	0.5
140.06186	1.1
141.06992	6.9
145.06563	0.9
147.04385	1.7
147.11629	0.5
149.05984	3.0
149.09688	0.6
150.06773	1.4
151.03903	1.0
152.06232	5.2
153.01822	0.8
153.07011	25.4
154.07802	2.8
155.04927	0.8
155.08586	13.1
157.06529	3.2
158.99719	0.5
161.06017	1.1
165.07019	58.2
166.07655	0.9
167.07083	0.8
167.08583	1.1
168.05731	10.3
169.06471	5.2
170.07285	2.3
171.07999	0.9
173.05981	0.9
175.11006	0.6
177.00726	0.6
179.04881	0.8
179.08559	0.6
180.05876	0.6
181.06497	15.2
182.07269	5.6
183.08080	32.4
185.05989	4.4
187.07526	0.6
193.06372	11.0
193.07970	1.1
194.07277	1.6
195.08089	1.4
195.10173	1.3
196.05220	6.2
197.06029	5.3
197.09634	0.9
198.06749	2.5
198.14833	3.1
199.07486	2.5
200.08295	3.9
201.05452	0.6
207.04431	3.4
209.06007	1.6
210.06802	4.6
211.07568	35.0
212.08360	5.0
213.05450	2.2
213.09103	1.4
221.05971	13.4
225.05556	0.9
225.09175	2.7
226.14453	4.2
227.07047	1.6
228.07893	3.6
229.05051	0.9
235.13193	0.8
235.16801	0.6
238.06200	0.8
239.07063	8.4
242.09398	5.1
243.10135	3.9
243.17389	0.5
253.04926	0.7
253.08534	1.0
256.07275	1.5
257.08273	0.8
271.06207	7.5
271.09659	100.0
272.09958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01865	5.3
56.96551	2.4
57.03430	1.2
65.03928	2.0
67.05490	3.3
69.03419	2.7
70.06579	4.1
71.04986	2.2
79.05489	3.2
81.03398	2.8
81.07043	5.2
83.04964	3.5
85.06516	1.1
91.04967	1.6
91.05482	16.9
93.07047	3.2
93.37476	1.3
95.04935	5.1
95.08602	2.7
97.02888	1.8
98.97560	2.8
99.08028	1.3
100.84865	1.0
103.05447	2.8
105.07043	6.2
107.04960	21.1
107.08622	2.1
107.51057	1.0
109.02861	2.3
109.10156	2.7
111.04424	2.3
112.07590	3.1
115.05447	3.5
116.07104	2.8
118.04181	1.8
119.04939	10.7
119.08549	1.6
121.05674	1.8
121.06509	31.6
121.10121	1.5
122.07262	1.4
123.04391	2.0
123.08060	1.3
125.06027	1.4
127.03900	2.0
128.06203	2.2
129.07030	5.9
131.04895	3.5
131.08591	1.9
133.06424	3.3
134.03590	1.5
135.04369	1.6
135.08067	3.4
137.05997	15.5
137.09637	1.4
140.07172	1.3
141.06985	7.7
145.06464	2.1
146.07242	3.4
146.78893	1.2
147.04404	1.6
148.05165	2.6
149.05962	4.2
149.09637	1.6
152.06229	5.5
153.06995	24.4
154.07741	3.0
155.08556	13.3
157.06491	2.8
161.05986	77.9
161.09624	20.2
162.56979	1.2
163.07545	10.7
165.07005	61.2
168.05676	8.2
169.06467	4.8
170.07275	1.8
174.06740	2.0
179.07042	18.2
181.06462	13.1
181.08086	1.9
181.08574	1.9
182.07248	6.3
183.08061	35.0
185.05988	3.3
189.09125	46.6
192.05728	1.2
193.06277	10.1
196.05211	7.9
197.05986	5.6
197.09692	2.0
198.06825	2.0
199.07486	2.4
200.08365	3.3
207.04411	3.2
207.10173	55.5
209.05969	1.9
210.06718	4.3
211.07559	35.8
212.08244	4.2
213.05388	2.7
215.07144	1.4
221.05956	12.7
225.09044	3.8
228.07825	5.4
239.07042	7.6
242.09373	3.7
243.10164	2.6
250.07787	3.2
253.08380	1.8
257.08072	1.3
271.06198	9.2
271.09628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01881	3.3
56.96549	1.4
57.03440	3.5
65.03951	2.3
65.39721	0.4
67.05490	2.0
68.99780	1.9
69.03414	1.5
69.07067	0.8
70.06583	0.6
70.32943	1.0
70.33315	0.7
71.04993	0.9
73.02926	30.0
75.04489	2.7
79.05481	1.3
81.03416	1.1
81.07033	1.3
85.02885	1.7
85.06491	0.4
91.03941	1.3
91.05505	3.3
93.03419	3.7
93.07036	1.1
95.04959	2.0
95.08578	0.7
97.02888	1.2
97.63622	0.5
98.97599	2.5
99.04464	0.8
103.05461	0.7
105.07033	1.1
107.04955	1.9
107.08566	0.7
108.02090	0.7
109.02871	1.5
110.03678	5.5
110.97561	0.5
111.04455	4.8
116.98623	0.8
119.04958	2.7
121.02956	0.7
121.06496	1.0
122.03633	0.5
123.04449	2.1
125.06006	41.3
127.03925	1.7
131.04945	0.5
135.04446	0.5
135.08095	0.9
137.05965	2.5
141.05479	1.8
141.06963	0.5
147.04402	1.1
147.06537	3.8
149.06020	2.7
151.03925	100.0
151.05020	7.4
151.07513	5.8
152.04382	0.5
153.01878	1.8
153.06979	1.2
155.08592	0.8
158.99655	0.6
161.06073	0.6
163.07523	2.6
165.07050	1.9
167.06987	0.5
168.05679	0.7
169.06522	0.7
173.06090	1.5
179.05476	1.1
179.07054	21.9
181.06496	0.7
181.08704	1.2
183.04546	0.8
183.08075	1.6
197.06242	1.3
197.08115	21.6
199.09703	1.6
201.05522	1.4
203.06964	0.9
211.07608	2.3
215.07132	0.8
219.01857	0.5
225.05585	1.0
225.07478	4.3
229.05049	1.8
243.06435	1.1
243.10254	1.1
253.04999	0.8
253.10727	3.5
271.06079	11.9
271.11880	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.04676	0.5
53.03938	0.9
55.01864	0.5
55.05512	3.3
56.96560	1.6
57.03410	0.5
57.07072	2.0
58.47039	0.5
59.05001	0.4
64.43778	0.4
67.01860	1.9
67.05511	4.4
68.99789	1.8
69.03423	2.6
69.07066	7.5
71.08626	0.5
74.60386	0.5
79.05503	4.3
81.07061	9.7
81.63741	0.4
83.04967	1.0
83.08620	3.2
85.02882	0.6
85.06548	1.4
86.09691	0.6
90.83562	0.4
91.05479	11.5
91.06021	0.9
93.07045	7.2
95.04965	2.5
95.08609	8.5
97.02892	1.4
97.06511	0.6
97.10172	1.1
98.21504	1.2
98.97585	8.5
99.04453	0.4
102.93363	0.4
105.07033	7.0
107.04970	2.8
107.08598	8.2
109.06528	4.9
109.10152	5.6
111.00739	0.7
111.04445	0.5
111.08051	0.8
115.05489	0.8
116.98610	2.6
117.07018	1.6
119.04950	17.5
119.08588	7.3
121.06509	1.7
121.10149	7.2
123.04441	4.9
123.08080	1.0
123.11712	1.8
123.24806	0.6
127.03896	0.5
128.06215	1.3
129.07008	2.2
130.07791	1.6
131.08546	2.7
133.06511	2.6
133.10146	5.5
134.99622	0.8
135.08061	2.5
135.11682	3.0
137.09685	0.6
137.13252	0.8
141.06985	1.5
142.07785	2.3
143.08566	4.5
144.09343	0.6
145.06467	0.5
145.10138	6.2
147.04411	44.2
147.08058	1.0
147.11674	4.2
149.05965	0.6
149.09625	2.0
149.13260	1.8
151.03915	0.6
151.07619	0.7
152.06198	0.6
153.01831	100.0
153.07010	1.7
155.08559	3.3
156.09343	3.6
157.10123	5.9
158.99673	3.0
159.08046	0.8
159.11752	2.2
160.04042	0.8
161.09628	1.7
161.13255	1.8
163.14816	1.5
165.07016	1.2
167.08577	1.2
167.10750	0.7
168.09398	0.6
169.10130	4.0
170.10913	1.4
171.02934	2.7
171.11671	7.1
173.09596	3.7
173.13277	1.8
174.10454	0.7
175.11186	2.2
175.14795	1.1
177.00778	2.1
177.16417	1.1
179.03389	1.3
180.09457	0.5
181.06528	1.0
181.10141	2.1
182.10991	2.2
183.11769	2.1
184.12527	0.6
185.09604	1.1
185.13281	1.9
187.11218	0.6
187.14838	1.1
188.11827	0.5
189.05507	1.1
189.12712	3.7
189.16399	1.2
192.12735	1.0
193.10147	1.1
194.10982	0.6
195.11693	2.3
196.12465	1.4
197.09535	0.5
197.13249	9.1
198.14011	0.9
199.11191	4.0
200.02390	0.8
203.17950	1.2
207.11674	0.9
208.12605	0.5
209.13237	0.9
211.14845	3.3
212.15652	2.4
213.09128	1.1
213.12779	1.0
213.16376	4.9
215.14259	2.6
217.12305	1.3
217.19461	1.0
222.14215	0.9
225.12767	1.8
227.14400	3.0
227.17889	0.5
229.15878	2.1
230.16779	0.6
231.17480	1.0
237.16406	2.0
240.15106	1.7
241.08594	1.0
255.06488	0.9
255.14830	0.5
255.17418	12.3
273.07584	81.3
273.18472	25.0
273.25775	7.7
274.07751	0.5
279.16489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.06793	0.4
57.07078	6.5
58.06612	0.4
62.06082	0.4
70.06594	10.4
70.70081	0.5
70.70404	0.5
71.08640	2.8
72.16581	0.3
85.10181	0.7
88.07632	14.6
99.87934	0.3
101.01544	0.3
102.09187	4.5
106.08672	7.5
143.05856	0.3
205.94731	0.3
212.23741	0.9
215.68535	0.3
230.24832	0.9
256.26321	5.9
274.27405	100.0
275.27744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74892	0.4
58.99853	0.4
65.03928	0.6
66.36647	0.5
67.05493	1.4
69.03440	0.8
69.50694	3.0
71.82329	0.4
77.67503	0.4
81.85063	0.4
82.99837	4.6
83.04980	1.7
84.21153	0.3
85.01439	0.4
86.66582	0.4
86.99353	0.5
93.03411	1.1
95.04957	2.7
97.02888	1.2
101.00895	27.2
107.03588	0.5
109.01396	1.5
111.00509	0.5
111.04473	1.2
113.00877	1.0
115.02449	0.8
119.01935	33.5
121.02895	3.5
127.01460	0.8
127.02431	15.5
129.03984	0.8
131.01854	0.8
133.03522	0.5
135.02916	0.6
137.02995	3.3
139.02400	2.1
139.03934	0.7
141.03975	0.7
143.01915	4.7
143.05576	1.3
145.03481	24.4
151.02431	2.9
153.03951	2.8
155.01968	1.0
157.03487	7.7
159.05063	0.6
161.02956	3.8
163.04529	0.8
165.93129	0.5
167.01900	3.0
169.03488	44.4
171.01410	1.2
171.05060	6.6
173.02917	0.9
175.04532	1.7
179.01892	1.5
183.04991	0.6
185.02985	18.5
185.06630	1.6
187.04541	44.5
189.02528	1.0
189.06192	0.7
193.03540	0.7
195.05077	3.6
197.02965	10.8
203.02127	0.8
203.04024	3.4
204.27623	0.4
205.05597	4.2
210.06113	0.9
211.04495	3.1
213.02483	1.2
213.06047	2.0
215.04022	9.1
221.02992	3.2
221.05084	1.5
229.05608	30.8
231.03551	2.1
233.05177	0.7
239.04051	1.5
239.06213	1.0
247.06670	15.0
249.04622	0.8
257.05124	3.0
275.06149	100.0
276.06323	1.0
293.07217	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	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03942	0.4
55.05500	0.3
56.96564	0.4
67.01860	0.3
67.05498	0.2
69.03418	0.2
69.07071	0.5
71.04972	0.2
71.54990	0.2
77.03942	0.4
78.43080	0.1
79.05492	1.4
81.03408	0.2
81.07069	0.7
81.67735	0.1
83.04958	0.3
83.08630	0.2
85.02908	0.2
85.06558	0.3
91.05479	0.8
93.07031	0.8
95.04977	1.0
95.08620	0.7
97.02911	0.2
97.06550	0.2
97.10212	0.2
98.97582	0.4
99.04472	0.1
101.00859	0.2
105.04539	0.4
105.07042	0.8
107.04961	100.0
108.05293	0.4
108.06552	0.1
109.10162	0.5
115.05442	0.1
116.98650	0.1
119.01945	0.3
119.04971	0.3
119.08584	0.8
121.02892	0.3
121.06509	0.4
121.10140	0.5
123.04425	0.5
123.08004	0.2
123.11700	0.2
127.03931	1.1
131.04973	0.3
131.08591	0.2
133.10159	0.6
135.08043	0.2
135.11743	0.2
137.09621	0.3
139.03920	0.3
143.08559	0.2
145.10094	0.4
147.04430	1.2
147.11716	0.3
149.05992	1.2
150.05569	0.3
151.03915	1.2
153.01758	0.2
155.01888	0.2
157.03517	0.2
158.99684	0.3
159.11729	0.3
161.06133	0.2
169.04976	10.5
171.11700	0.2
173.03136	0.2
173.13329	0.2
175.14941	0.1
177.12685	0.2
181.04999	0.2
185.03070	0.2
203.04141	0.2
215.04001	0.2
222.05518	0.3
254.07779	0.2
257.07971	0.2
257.19025	0.3
258.11267	0.2
275.09161	3.2
275.13889	0.8
275.17236	0.4
275.20154	1.5
275.23520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05515	14.9
56.96558	1.1
57.03437	1.5
57.07064	4.1
67.05505	12.0
69.03417	2.0
69.07070	14.7
69.35664	8.3
71.04994	2.6
71.08643	1.3
73.18102	1.0
79.05490	11.0
81.07057	19.3
83.08623	12.6
85.02901	2.1
85.04974	0.9
85.06561	1.8
91.05474	8.2
93.07048	38.7
93.07641	2.0
95.04986	2.1
95.08608	56.4
97.02885	1.4
97.10178	8.2
97.96841	1.2
98.20723	1.8
98.97585	2.7
101.00888	2.0
103.05481	1.1
105.07043	11.0
107.08597	59.2
109.06516	1.4
109.10155	13.0
113.05988	3.5
113.80390	1.0
116.98663	0.9
119.01921	1.2
119.08572	4.2
121.10147	100.0
123.08078	1.2
123.11727	1.8
133.07622	1.4
133.10124	2.0
135.11693	36.5
137.13257	1.4
145.03488	1.3
149.13266	8.3
155.01913	1.6
159.62706	1.0
177.16389	58.9
185.02951	1.2
197.05862	1.2
203.03954	2.1
228.97890	0.9
231.10748	1.3
275.10391	1.2
275.13153	28.8
275.16541	1.4
275.17334	1.2
275.20023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.69943	1.1
53.03960	2.2
55.01870	3.9
55.05523	14.4
56.96563	2.1
57.03435	2.2
57.07072	6.7
57.21434	1.1
57.42068	1.2
59.05003	1.1
62.40410	1.1
67.05185	1.8
67.05515	26.3
69.03426	2.6
69.07072	11.0
70.02908	3.2
70.03304	2.6
70.06583	4.1
71.04988	10.2
71.08639	2.1
79.05510	20.4
81.07069	30.7
83.04981	4.7
83.08616	5.4
85.06544	4.7
88.07623	5.7
91.05488	36.4
93.07052	27.8
95.04969	5.0
95.08620	15.3
97.06522	5.4
97.10136	1.5
99.08095	1.5
103.05491	1.9
105.07041	49.9
106.08690	3.2
107.04949	4.9
107.08584	20.1
109.06540	11.7
109.10161	10.2
111.08086	9.2
115.05483	1.3
117.07023	10.7
119.08594	40.1
121.06516	4.2
121.10162	18.9
123.08066	6.8
123.11714	4.5
125.09644	1.2
128.06230	1.4
129.07007	3.9
131.08589	21.3
131.46899	1.3
133.10138	35.4
135.08049	16.7
135.11700	8.0
135.12555	1.5
137.09630	6.3
141.06984	2.7
142.07779	3.4
143.01807	1.3
143.08582	8.8
144.09422	1.4
145.10138	19.0
147.08057	1.4
147.11702	18.2
149.09642	5.6
149.13293	2.8
151.11174	2.8
155.08586	3.5
157.10158	14.4
158.10904	4.7
159.11723	26.8
161.09644	2.7
161.13281	5.2
163.11169	5.5
165.12726	1.8
169.10126	3.3
171.11679	4.4
171.87180	1.5
173.09750	2.0
173.13281	29.8
174.14114	3.6
175.11279	6.3
175.14838	3.6
177.12762	5.9
183.11723	9.3
184.12454	2.0
185.13261	3.7
187.11192	3.7
187.14780	2.6
189.12718	1.5
191.14313	5.4
197.13254	6.2
199.14792	10.6
201.12770	6.0
203.14346	1.4
213.16373	3.4
215.14491	1.6
215.17950	5.1
217.15979	1.9
219.13948	1.4
229.14522	1.6
229.19461	2.6
237.77414	1.3
239.17957	8.4
247.20592	1.9
257.19012	18.6
257.26691	3.1
275.20096	100.0
275.27774	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	277.0324
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.96566	7.6
67.45535	4.3
69.76392	27.2
79.64262	4.8
82.99872	4.7
97.02922	4.8
98.97569	21.2
101.00870	19.9
103.00629	4.4
113.54964	4.7
116.98618	6.0
119.01936	16.4
143.01910	21.2
145.03491	7.6
154.01834	4.9
155.01967	7.7
157.03459	7.1
161.02977	34.6
173.02934	8.2
175.04489	6.2
176.08183	6.4
183.27133	5.0
185.03011	10.0
203.03888	5.0
219.01854	8.5
231.02888	5.4
237.02753	7.8
240.61621	5.2
245.05074	19.2
248.07643	5.7
259.02383	16.7
277.00439	10.0
277.03305	100.0
277.07129	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.6
70.25558	2.2
93.37994	0.6
94.30717	0.6
96.49700	0.6
98.20876	0.7
101.00867	2.1
102.06570	0.5
103.00652	0.8
115.73106	0.6
119.01943	1.6
121.01673	2.2
129.02148	0.6
143.01881	1.5
145.03421	0.9
147.03186	1.0
155.01906	1.7
161.02966	1.7
171.03224	0.9
173.02966	1.6
174.14803	0.6
175.02734	0.6
175.04456	0.6
177.47679	0.5
185.02959	0.9
187.02626	1.5
189.04234	1.5
199.02853	0.8
201.65190	0.5
231.05402	1.0
245.05087	0.9
277.06580	3.8
277.08966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03944	4.7
53.58577	0.8
55.05510	19.6
56.96548	1.0
57.07065	2.8
59.22717	0.8
65.03931	1.4
66.36766	0.8
67.05506	32.9
69.07076	14.5
70.58072	2.2
71.04964	2.0
71.08658	0.8
77.03941	1.0
77.89421	0.8
79.05495	76.0
81.03410	1.0
81.06583	1.8
81.07057	35.9
83.04984	2.3
83.08132	1.0
83.08617	8.5
85.06551	2.1
89.06025	0.7
91.05484	28.0
92.80978	0.8
93.07046	100.0
95.04955	5.8
95.08607	25.4
97.06519	2.7
97.10183	4.3
105.04501	1.9
105.07033	15.0
106.49989	0.8
107.08596	50.5
109.06506	2.0
109.10161	11.5
111.08099	1.7
117.07021	3.4
119.06072	1.0
119.08579	12.8
120.08134	1.0
121.10148	46.3
123.08054	1.8
123.11708	3.3
125.09586	0.9
127.07565	1.1
129.07002	2.0
131.08607	3.9
133.10136	11.7
135.11694	45.7
139.11191	1.2
143.08476	1.8
145.10147	2.7
147.11702	8.6
149.09584	2.0
149.13266	20.4
151.11189	1.2
157.10074	1.6
159.11697	3.0
161.09685	1.1
161.13226	5.5
163.11230	1.1
163.14816	6.2
167.10643	1.1
171.11732	2.2
173.13231	2.4
175.14885	1.3
185.13255	2.8
189.12759	0.8
195.13763	1.6
199.14799	1.8
203.14288	0.9
207.13776	2.0
207.60197	0.9
213.16342	1.7
217.15930	0.9
221.15367	4.0
231.17551	1.7
231.21022	1.1
235.16937	3.8
235.25951	0.8
241.19452	1.7
259.20529	4.0
277.21619	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03932	4.0
53.26926	1.9
53.64063	1.8
54.90147	2.1
55.05511	26.0
56.96538	3.6
57.03414	3.0
57.07056	7.6
59.04973	3.3
62.13669	1.9
65.03917	2.5
67.05502	28.3
68.80708	1.7
69.03423	19.0
69.07063	22.1
69.74782	8.0
71.05000	10.3
73.55431	1.7
79.05489	23.0
81.03398	7.4
81.07057	54.4
83.04988	15.3
83.08605	9.9
85.02902	3.9
85.06542	52.2
91.05478	19.1
93.07043	58.7
95.04978	9.9
95.08060	3.2
95.08611	44.3
97.06531	10.1
97.10194	3.1
98.20770	2.0
98.97559	3.9
99.04471	3.5
99.08096	73.5
105.07028	40.6
107.04954	6.7
107.08597	45.1
109.06521	20.1
109.10154	45.0
110.78604	2.2
111.08070	11.5
113.09657	13.4
117.07014	5.8
119.08587	48.9
121.06495	6.0
121.09323	4.0
121.10146	54.3
123.08055	9.0
123.11728	20.5
125.09636	11.5
129.07031	2.9
130.16107	1.8
131.08563	6.9
133.06439	3.0
133.10138	47.9
135.08049	6.0
135.11684	29.4
137.09616	25.4
137.13234	2.0
137.17296	1.9
139.11191	10.0
143.08521	7.2
145.10141	15.0
147.08049	7.7
147.11671	20.0
149.02350	30.4
149.09618	7.8
149.13225	14.0
151.11179	33.3
157.10155	6.5
159.11697	13.8
161.09608	8.6
161.13214	10.5
163.11171	6.1
165.12773	11.3
171.11661	4.5
173.13264	7.7
175.11189	6.1
175.14847	30.0
179.14320	5.6
181.12192	2.2
185.13274	10.9
189.12729	4.7
193.15840	6.2
199.14818	6.5
201.16382	18.0
203.14313	10.4
203.84215	1.9
213.16345	2.5
217.15836	3.8
217.19557	4.2
219.17448	4.1
221.15355	2.6
235.16928	3.5
241.19540	8.1
259.09659	2.4
259.20578	25.4
277.03436	2.3
277.08597	6.6
277.14905	4.5
277.18130	6.9
277.21625	100.0
277.25238	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03940	4.0
55.01860	1.0
55.05273	1.2
55.05513	17.7
56.96546	3.3
57.07086	4.6
65.03933	1.0
67.05504	32.2
69.06728	0.9
69.07070	14.8
70.42200	2.8
71.04122	0.7
71.04983	1.2
71.08584	1.1
73.48628	0.7
74.50757	0.7
75.80366	0.7
79.05492	64.6
81.07055	34.2
83.04987	1.6
83.08619	7.2
85.06543	2.9
91.04906	1.2
91.05478	28.2
93.07044	100.0
93.20746	0.8
95.04967	4.8
95.08606	22.9
97.06523	2.7
97.10175	3.8
99.08101	1.1
105.04535	2.0
105.06392	1.2
105.07037	14.0
107.08597	50.0
109.06522	2.2
109.10163	13.9
113.06004	0.8
117.07005	3.3
119.08578	10.7
121.10145	38.4
123.08044	1.9
123.11694	3.7
129.07025	1.4
131.08556	3.7
133.10135	10.7
135.08101	1.2
135.11693	52.8
137.09561	1.2
143.08521	1.7
145.10143	2.9
147.11703	5.9
147.57646	0.7
149.09601	2.7
149.13260	23.0
159.11684	3.4
161.13220	3.9
163.11197	1.1
163.14816	5.1
171.11713	2.1
173.13255	2.8
175.11115	0.9
175.14821	1.2
181.12224	0.9
185.13208	2.1
195.13875	2.5
199.14783	2.1
203.14420	0.9
207.13863	1.0
213.16408	1.6
221.15315	2.7
235.16858	5.4
241.19551	3.1
256.15826	1.8
259.20584	3.1
276.67661	1.1
277.09430	0.9
277.21625	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	2.8
55.05518	15.6
56.96569	3.4
57.03429	3.3
57.07069	7.2
59.05003	4.0
67.05167	3.4
67.05505	39.3
67.11675	1.8
69.03429	17.6
69.07068	21.6
70.06586	2.6
71.04990	8.0
71.08613	2.6
79.05494	30.7
81.03422	8.0
81.07055	58.5
83.04987	16.1
83.08617	12.3
85.02924	1.9
85.06541	20.1
88.07620	3.8
91.05483	21.6
93.05738	1.8
93.06471	3.8
93.07040	55.9
95.04972	7.7
95.08604	46.6
97.06529	11.4
97.10149	5.5
98.97598	3.9
99.04485	2.2
99.08088	12.0
105.07033	35.5
106.56032	1.7
107.04963	4.1
107.08592	48.7
109.06532	15.4
109.10152	46.8
111.08064	9.9
113.09650	13.2
117.07003	5.6
119.08585	39.5
121.06521	6.9
121.10144	59.6
122.07262	2.4
123.08081	11.3
123.11704	22.4
125.09647	8.5
128.59818	1.7
129.06993	1.8
131.08562	8.5
133.06543	2.4
133.10126	54.2
135.08041	7.5
135.11688	31.0
137.09610	29.1
137.13263	5.7
139.11148	9.8
143.08565	5.6
145.10098	15.1
147.08072	4.6
147.11678	19.5
149.09616	13.0
149.13240	13.9
151.03909	2.0
151.07497	3.3
151.11179	29.1
157.10150	8.1
158.99728	2.8
159.11710	8.4
161.05983	2.0
161.09648	8.6
161.13263	12.8
163.11214	5.0
163.14842	2.8
165.12782	5.9
171.11716	6.4
173.13286	6.4
175.11189	5.4
175.14818	30.1
177.12784	2.1
181.12286	2.7
185.13271	8.7
187.14861	2.2
189.12782	6.9
189.16330	3.1
191.14424	2.0
193.15906	6.1
199.14795	4.3
201.16397	10.4
203.14317	13.8
213.16595	2.4
215.17949	2.6
215.21983	11.8
217.15857	3.3
217.19499	4.0
219.17308	4.3
221.15382	2.7
235.16927	4.5
241.19681	9.7
241.21797	2.0
259.13400	2.5
259.17886	2.5
259.20578	24.3
277.08725	9.2
277.11639	2.9
277.14801	4.1
277.18210	8.6
277.21652	100.0
277.25562	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	278.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01869	0.6
56.96560	0.6
57.03434	1.1
58.99570	0.5
61.02930	1.9
69.03432	3.7
69.07079	0.5
69.84566	1.1
69.84966	0.8
70.99582	2.4
71.05008	0.7
73.02931	1.1
81.03424	1.5
85.02911	12.5
85.06557	0.4
86.15657	0.3
87.04473	0.7
91.03980	0.9
97.02898	3.9
98.00645	49.7
98.97592	1.0
99.04461	1.0
109.02907	1.3
111.04431	0.4
115.00641	0.4
115.03937	0.4
116.01683	100.0
116.07156	0.4
127.03926	2.3
130.05011	0.5
139.03888	0.5
145.04984	2.6
145.35265	0.3
149.02327	0.8
154.70065	0.3
155.01949	0.4
156.06635	0.4
158.99684	0.5
202.10727	1.6
202.74211	0.3
214.05101	0.4
219.01649	0.4
278.03760	0.9
278.06931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.04791	0.3
56.05040	3.6
56.96562	0.6
57.06830	0.3
57.07082	3.3
58.06602	5.9
59.04978	0.2
60.04531	2.0
61.35729	0.2
68.05031	0.3
69.07085	1.2
69.24112	0.2
69.95667	1.0
70.06573	0.7
70.07412	0.2
71.08628	2.2
71.18291	0.2
72.08157	1.9
74.06083	4.0
81.07040	0.6
84.08147	0.3
84.59171	0.2
85.02902	0.4
86.05579	0.4
86.06071	4.5
87.04459	0.6
88.07635	24.9
89.06026	0.8
90.05585	0.3
94.39658	0.2
97.02917	0.2
98.97580	0.8
100.07650	1.2
102.09184	0.3
104.07111	3.9
105.06993	0.3
107.08587	0.3
109.06525	0.2
110.97578	0.2
118.08647	1.2
121.10166	0.3
132.10216	6.7
149.02361	1.6
154.15860	0.5
162.11253	1.8
166.10777	2.6
172.16963	0.4
180.97652	0.2
186.18541	37.4
190.18007	0.4
198.18539	0.8
216.19650	0.2
230.18704	0.3
230.21159	12.4
260.22186	1.2
278.23273	100.0
279.23737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02381	1.4
53.03950	9.6
55.01870	6.9
55.05519	37.9
56.96559	1.6
57.03196	2.0
57.03445	32.7
57.07080	3.5
65.03930	5.5
67.05511	85.8
69.03436	7.0
69.06736	1.6
69.07077	18.7
69.43149	9.7
71.04978	4.5
73.06580	1.8
77.03946	2.2
79.05500	100.0
80.49625	1.4
81.03419	17.8
81.07063	72.7
83.04990	35.1
83.08628	10.0
83.16245	1.6
85.02921	2.2
85.06538	3.7
87.04456	1.5
91.05489	74.5
93.07051	69.5
95.04980	29.0
95.08615	44.4
97.02901	1.6
97.06535	6.1
97.10152	6.2
98.97572	6.1
99.08080	2.5
103.05461	1.5
105.04531	2.5
105.07041	62.5
107.04993	8.7
107.08605	33.9
109.06542	11.2
109.10165	11.2
111.08069	4.7
111.34812	1.5
114.85614	1.4
115.03897	2.8
117.07006	10.6
119.04951	1.6
119.07803	2.7
119.08594	38.7
121.06499	4.8
121.10133	6.3
123.08076	9.4
123.11678	2.2
127.07564	3.3
128.06155	3.0
129.07024	18.9
131.08557	4.1
133.06499	2.5
133.10139	25.8
135.08051	7.3
135.11702	4.8
143.07175	1.2
143.08560	9.1
145.10147	14.1
147.08028	4.7
147.11702	44.4
149.02309	1.4
149.09648	1.8
151.02945	1.8
158.35765	1.5
159.11726	3.3
161.09650	11.1
161.13274	21.8
163.11095	1.9
171.11708	34.8
175.11162	1.8
177.12749	1.5
189.12773	15.6
189.71820	1.4
196.52124	1.7
207.13788	17.2
245.15288	1.9
263.16406	3.5
281.14334	4.4
281.17487	75.4
281.22522	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	282.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04494	0.8
51.18702	0.8
51.92593	1.0
52.23895	0.8
53.03945	1.7
55.01858	2.8
55.05524	0.9
55.59177	0.9
57.03434	4.3
59.64867	0.9
61.02706	0.8
61.02935	9.0
65.38432	0.9
67.05485	0.9
69.03437	18.1
69.70258	2.7
69.70673	2.5
71.04990	2.0
71.65335	0.9
73.02905	3.8
80.42153	0.9
81.03418	6.4
85.02912	100.0
85.06546	18.0
87.04465	1.4
91.03957	8.4
93.07058	1.4
94.18200	1.0
97.02905	20.4
98.20742	1.1
98.59045	1.0
99.04472	4.9
103.03935	1.1
109.02887	6.6
115.03947	1.7
127.03925	23.6
129.05472	1.3
143.64784	0.8
145.04970	59.1
163.06032	20.4
163.07396	1.5
165.10573	0.9
180.08653	1.1
190.02380	0.9
229.10670	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	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01868	0.4
55.05515	0.2
57.03444	1.0
61.02910	0.3
65.03942	2.3
67.05498	0.3
69.03434	4.6
69.07043	0.2
69.49147	0.2
70.06584	0.2
70.78797	0.4
71.01337	0.3
71.04993	0.6
73.02912	0.3
79.01881	0.2
81.03424	9.3
83.04950	0.2
85.02424	0.3
85.02910	4.7
87.70886	0.2
93.07069	0.4
95.04977	4.3
97.02892	2.0
99.04456	0.8
103.05445	0.2
105.04506	0.2
107.04939	0.2
109.02894	4.2
111.04457	1.5
113.26804	0.2
119.08684	0.2
121.02875	100.0
122.03207	0.4
127.03941	1.5
139.03915	7.8
145.04968	0.3
165.01791	0.2
193.24313	0.2
194.37720	0.1
209.11694	0.2
214.92709	0.2
246.98308	0.2
265.07083	6.9
283.08163	1.2
283.12198	0.2
283.15201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.23127	2.3
52.99854	2.0
53.03933	4.2
55.01871	26.8
55.05511	51.6
57.03151	2.8
57.03435	46.0
57.07076	4.5
59.04987	9.1
67.05501	30.3
69.03419	3.3
69.07051	12.0
69.70801	15.3
71.01357	2.4
71.04978	7.7
79.05495	46.2
81.03423	21.8
81.07059	47.8
83.01349	23.2
83.04990	26.9
83.08625	30.0
85.02880	8.5
85.06528	4.2
91.05482	29.5
93.06471	3.7
93.07045	57.7
95.04996	14.5
95.08607	20.9
96.88781	2.1
97.02903	3.1
97.06518	11.2
97.10190	4.0
99.04462	6.3
105.07033	21.9
107.04967	14.4
107.08591	27.6
109.06535	15.3
109.10178	3.3
111.04439	7.1
111.08064	4.3
117.07020	16.1
119.08575	18.2
121.06492	7.6
121.10149	17.7
123.08067	20.3
123.11594	2.4
125.06035	4.9
129.07007	3.1
130.07831	2.6
131.08609	4.8
133.10127	5.1
134.09648	4.1
135.08051	3.9
135.11699	26.5
137.09634	3.3
139.07570	2.3
145.10130	35.6
147.08064	5.6
153.12759	5.3
155.08633	3.0
163.11180	65.6
173.09593	9.8
181.12286	11.2
191.10687	7.3
204.04074	2.6
209.11716	25.3
227.12804	13.4
283.15396	100.0
283.22485	8.7
295.68750	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03935	3.2
55.01878	29.4
55.05511	46.1
55.26360	1.6
57.03439	43.6
57.07061	4.7
59.04988	5.9
65.03942	2.8
67.05503	30.5
69.03429	2.4
69.07066	11.4
69.18541	15.3
71.01333	2.4
71.05010	9.5
79.05071	2.7
79.05500	40.9
81.02974	2.4
81.03418	22.2
81.07059	43.9
83.01338	24.5
83.04989	32.2
83.08623	28.9
85.02889	6.7
85.06556	3.7
85.10158	1.5
89.06031	4.3
91.05485	27.9
93.06479	3.1
93.07045	55.6
95.04971	16.2
95.08610	24.4
97.02873	5.3
97.06548	12.4
97.10164	4.6
99.04423	6.6
103.05454	1.8
105.07039	21.6
107.04951	20.2
107.08583	26.7
109.06525	15.6
109.10133	5.7
110.57589	2.2
111.04445	8.9
111.08044	4.6
115.05451	2.4
117.07022	15.1
119.08580	19.0
119.41228	1.9
121.06503	9.3
121.10146	21.0
123.08069	20.3
125.05981	5.7
125.09618	2.8
129.07021	3.6
130.07800	3.1
131.08560	6.6
133.10124	7.2
135.08017	5.0
135.11685	30.0
137.09602	4.2
144.29974	1.7
145.06490	2.3
145.10127	37.8
147.08046	2.7
153.12741	9.5
155.08565	2.7
159.11665	2.3
163.11176	64.0
173.09631	6.7
181.12259	13.1
191.10674	11.4
209.11729	23.8
213.04599	1.7
227.12746	17.2
283.15387	100.0
283.20551	5.4
283.23880	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	5.3
55.01873	23.1
55.05513	37.6
56.77852	1.1
57.03153	1.8
57.03435	34.1
57.07072	2.8
59.05007	7.7
61.69700	1.5
65.03953	1.5
67.05505	22.8
69.03419	2.9
69.07068	6.0
69.27592	12.3
71.05005	7.8
74.15256	1.2
79.05489	37.5
81.03416	22.0
81.07059	31.3
83.01346	24.6
83.04984	26.4
83.08620	20.6
85.02904	7.3
85.06570	2.0
89.06061	1.5
90.87088	1.3
91.05482	24.0
93.07044	47.9
95.04982	13.5
95.08610	15.2
97.02906	3.8
97.06537	8.8
97.10165	3.2
99.04458	4.5
105.04520	2.1
105.07034	17.8
107.04948	16.3
107.07875	1.9
107.08596	25.9
109.06510	10.8
109.10149	2.9
111.04461	6.5
111.08081	3.7
117.07007	12.6
119.08579	17.4
121.06497	6.5
121.10143	15.1
123.08076	15.6
125.06033	3.7
125.09624	4.0
129.07014	2.2
130.07811	2.4
131.08553	6.2
132.65504	1.3
133.10143	4.3
135.08049	3.9
135.11702	25.9
137.09628	2.4
139.07533	1.6
145.06508	2.2
145.10117	32.9
147.08073	2.4
149.09633	1.4
153.12766	6.8
155.08542	2.2
160.61369	1.5
163.11186	57.8
173.09633	7.9
176.23592	1.3
181.12231	12.9
191.10687	7.5
209.11723	26.5
227.12741	11.3
245.97812	1.4
251.09259	1.3
283.15402	100.0
283.24036	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03937	4.3
55.01631	1.5
55.01879	20.3
55.05519	37.9
55.66643	1.3
57.03442	35.4
57.07074	3.0
58.38411	1.4
58.49112	1.2
59.04993	4.0
59.82245	1.2
65.03928	2.3
67.05180	2.0
67.05514	29.2
69.03420	3.1
69.07073	10.2
69.32455	10.7
71.01353	2.1
71.05013	7.1
76.07299	1.3
79.05070	2.5
79.05504	40.1
81.03434	19.8
81.07066	33.4
83.01356	20.1
83.04992	28.7
83.08625	23.3
85.02921	8.3
85.06556	2.2
87.56818	1.1
91.05495	22.9
91.67853	1.4
93.06480	2.2
93.07053	40.8
95.04988	13.5
95.08626	19.1
97.02898	5.2
97.06542	10.0
97.10162	4.1
99.04472	6.2
103.05480	1.7
105.07046	18.5
107.04977	12.7
107.08607	26.6
109.06528	9.4
109.10159	5.4
111.04485	8.5
111.08080	4.5
117.07034	13.6
119.08588	15.0
121.02892	2.5
121.06537	7.1
121.10156	13.9
123.08082	17.3
125.05990	4.4
125.09681	2.1
129.07027	3.9
130.07809	2.3
131.04913	1.5
131.08598	6.9
133.10159	4.4
134.80855	1.5
135.08040	3.5
135.11710	28.2
137.09642	3.0
139.07549	1.7
141.56566	1.4
143.08563	2.2
145.06480	1.4
145.10143	32.9
145.11284	1.7
147.08035	3.7
147.11658	1.6
149.09595	2.2
153.12773	12.9
155.08545	3.1
162.86171	1.2
163.11194	62.0
171.97537	1.3
173.09619	8.5
181.12262	12.4
191.10660	10.1
209.11746	21.6
227.12808	16.4
283.15427	100.0
283.24066	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	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27414	0.3
53.03962	0.6
53.51742	0.3
60.64759	0.2
62.57211	0.3
63.85786	0.2
67.05515	0.3
68.63776	0.3
69.03432	1.0
69.58666	1.6
69.71185	0.3
70.06594	100.0
81.03416	1.7
81.99274	0.2
85.02914	0.4
95.04985	0.7
97.02917	0.4
98.06033	0.4
98.97598	0.7
109.02887	6.5
112.07610	74.5
116.07078	1.6
121.02898	0.6
122.03210	0.7
127.03915	0.9
139.03908	0.4
140.07071	26.5
158.08136	4.8
177.00661	0.3
203.66020	0.2
242.10161	0.3
266.10172	1.2
284.11133	2.4
284.14450	0.5
284.29480	0.5
293.05649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27588	0.2
53.03929	0.3
56.96560	0.3
59.26015	0.2
69.03435	0.6
69.53727	1.4
70.06592	100.0
71.06919	0.3
80.79004	0.2
81.03407	2.0
85.02908	0.4
95.04926	0.2
97.02908	0.6
98.06059	0.3
98.97618	0.4
99.04445	0.3
103.23879	0.2
109.02885	5.2
112.07605	72.9
116.07100	1.1
121.02879	0.6
122.03204	0.8
127.03915	0.8
137.05896	0.2
139.07570	0.2
140.07065	24.7
143.24142	0.2
158.08136	4.4
206.07979	0.3
224.52048	0.2
242.10275	0.4
256.91809	0.2
266.10242	1.1
270.98300	0.2
280.45618	0.2
284.06274	0.3
284.11337	1.9
284.29382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88430	0.4
53.03938	2.0
53.73800	0.4
54.64425	0.4
55.01860	1.2
56.05032	0.6
56.96553	0.6
57.03427	1.5
61.02930	3.5
65.03937	0.7
67.05506	10.4
69.03420	3.2
69.07050	0.8
70.06596	11.7
70.94231	1.1
71.04974	0.7
73.02894	1.6
79.05496	1.3
81.03418	5.9
81.07041	1.8
82.02943	1.1
84.04506	1.3
85.02929	3.2
91.05460	0.8
94.06602	1.0
95.04970	8.8
95.08614	0.7
95.65236	0.5
96.04517	2.6
96.05091	0.5
97.02296	0.7
97.02892	10.4
98.06031	0.6
98.97601	1.4
99.04459	0.8
103.03938	7.0
105.07052	1.5
106.06563	0.7
107.07317	1.0
108.08126	8.5
109.02888	5.7
109.06483	0.5
110.06077	2.6
112.07603	9.3
116.98602	0.6
120.08090	0.8
121.02875	6.8
122.02384	1.1
122.03177	5.7
122.06021	2.6
122.09678	3.1
127.03934	4.2
134.06030	0.6
135.06770	0.9
136.07584	1.1
140.03392	0.5
140.07051	9.4
150.09148	16.0
152.07066	12.3
153.01865	0.8
158.08092	1.0
164.07054	0.9
164.10687	0.6
166.08655	1.4
174.09180	0.7
178.08638	50.3
182.08192	2.3
190.04329	0.4
192.06543	0.7
192.10188	1.7
194.08195	0.8
202.08638	0.6
206.08131	100.0
207.08473	0.5
218.08138	17.1
220.09686	2.4
230.08095	0.6
236.09203	1.7
248.09216	5.6
252.10316	0.6
266.07578	0.8
266.10086	2.5
284.11066	2.1
284.29449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.9
57.03439	3.0
57.07076	1.2
61.02934	5.3
67.05508	1.6
69.03443	9.1
69.06783	1.2
69.07080	14.6
69.89686	4.1
69.90095	2.0
70.06609	6.0
73.02902	2.1
74.31394	1.1
81.03422	4.2
82.03752	1.7
85.02917	62.2
87.04474	1.5
87.08117	100.0
91.03963	1.9
97.02909	14.3
97.91897	1.2
98.97588	4.8
99.04464	3.2
101.02362	1.1
105.07038	11.0
109.02907	6.4
112.07621	6.3
113.76855	1.2
116.98654	1.8
121.02866	6.7
122.03195	5.9
127.03934	13.3
134.09706	2.1
140.07065	1.6
145.04993	20.9
153.01828	5.2
163.06023	5.0
206.08138	2.1
237.02925	1.7
266.07632	1.6
266.13940	8.9
267.14551	1.4
284.05658	1.4
284.14999	1.9
284.29547	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	284.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37003	0.5
56.96549	0.9
57.03423	1.1
61.02923	1.2
69.03417	1.6
69.77625	1.9
69.78033	1.3
71.67178	0.7
73.02917	0.7
75.08430	0.6
77.66796	0.7
81.03406	1.6
82.99868	0.6
85.02900	1.5
85.10440	0.6
97.02887	1.3
98.97587	1.9
99.41022	0.5
101.00890	9.7
102.01000	1.6
102.59086	0.5
103.00637	0.9
116.98721	0.9
119.01945	10.1
120.02009	2.4
121.01678	1.7
127.02480	0.9
129.02155	0.8
131.01965	0.8
131.51952	0.7
134.99791	1.1
135.01317	0.6
135.52275	0.6
137.02959	0.9
139.02617	0.7
140.98859	1.9
141.98903	0.9
143.52007	1.4
145.03506	1.6
152.52528	1.0
153.02391	1.1
155.01923	1.1
157.03543	1.2
158.52541	1.1
158.99931	3.8
159.99983	1.6
161.02998	2.6
161.53075	2.9
162.02907	3.3
162.52853	0.6
164.52602	0.6
167.02988	0.9
167.53073	2.1
168.02933	1.6
169.01839	0.7
170.53671	0.7
171.03389	1.2
173.02989	1.2
174.53761	0.8
176.03125	0.7
177.00978	14.5
177.03386	1.1
178.01048	7.3
178.02460	0.7
179.52969	0.6
180.53735	1.0
184.00069	0.7
187.02806	0.7
188.53589	1.1
189.03481	0.8
194.53580	1.4
196.94492	1.1
201.00847	1.1
202.01070	3.4
202.02904	0.8
202.93556	1.9
202.96394	0.7
203.54117	4.2
204.03961	2.5
211.03741	1.2
212.54723	3.5
213.02794	0.6
213.04486	3.6
214.95601	1.2
215.04027	1.5
217.01207	0.9
218.04208	2.5
219.02084	4.6
220.02150	15.9
220.94493	2.8
220.97299	1.6
221.05144	1.6
221.55229	1.6
224.55307	0.7
226.01198	2.7
232.96735	0.7
233.55757	0.6
238.95610	28.3
238.98384	24.4
243.02074	1.8
243.98947	0.6
243.99416	0.8
244.02153	10.7
247.96161	0.7
249.95982	0.9
252.52486	2.8
253.02298	3.9
253.52393	0.6
256.96661	93.4
257.96771	1.7
258.96799	1.2
261.03064	16.6
261.52975	3.9
261.97650	8.1
262.00104	5.9
262.03201	100.0
263.02890	2.9
264.03461	1.6
271.03265	0.7
274.97702	19.3
279.98260	42.4
285.00122	0.9
285.04816	5.3
297.99438	4.3
303.00040	1.3
303.04227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.46449	1.5
53.03955	3.2
55.01865	4.7
55.05515	26.8
57.03440	54.6
57.07079	2.5
59.04981	1.6
59.17641	1.5
67.05508	38.4
69.03424	5.4
69.07075	12.5
71.05004	10.6
79.05063	2.7
79.05492	33.5
81.02940	3.9
81.03419	77.6
81.07059	43.5
83.04982	19.5
83.08621	33.3
85.02906	82.0
85.06527	3.4
86.65160	1.4
91.05485	45.1
91.17165	1.6
93.07048	25.3
95.04969	39.0
95.08604	21.1
97.02881	4.2
97.06516	7.5
97.10172	5.4
99.08103	1.7
104.99101	1.5
105.07032	35.9
107.04961	8.2
107.08575	12.9
109.06550	6.7
109.10136	5.4
111.04447	5.8
111.08093	17.9
113.06005	6.5
115.05453	1.6
117.07049	1.9
119.08585	30.7
121.06530	2.0
121.10146	18.5
123.08080	4.7
123.11698	2.7
127.07553	2.2
128.06204	1.7
129.07011	13.6
131.08565	16.9
133.06447	4.5
133.10150	17.6
137.09592	2.8
142.07768	3.7
145.10081	2.8
147.08040	3.6
147.11681	26.4
149.09634	8.2
154.44141	1.5
156.30440	1.5
157.10132	22.6
163.11171	2.0
165.12758	5.7
175.11201	27.1
193.12248	95.9
211.13293	77.0
242.05737	4.2
253.08575	2.0
254.09222	1.5
267.15979	2.3
285.07632	12.5
285.16965	100.0
285.22150	5.1
285.33459	2.1
304.60190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
54.36145	1.9
55.01862	6.3
55.05517	20.5
57.03442	27.4
63.46160	2.0
66.91172	1.8
67.05515	23.6
69.03414	5.4
69.07048	7.7
69.22562	6.2
69.22981	13.0
71.04992	5.3
72.98872	2.1
75.83933	1.8
79.05132	2.0
79.05499	24.3
81.03419	100.0
81.07057	32.7
83.04996	12.9
83.08619	24.0
85.02905	46.7
85.06525	3.3
91.05482	34.9
92.62170	1.9
93.07050	19.4
95.04971	37.8
95.08598	12.8
97.02886	7.2
97.06504	5.7
97.10100	2.1
99.04456	2.7
99.08065	2.4
105.07043	27.3
107.04946	5.3
107.08589	12.6
109.06512	7.6
109.10149	6.0
111.04398	3.2
111.08098	18.9
113.05976	4.4
115.05402	3.4
119.08577	27.0
121.10133	14.5
123.08062	4.6
123.11692	6.7
127.03754	1.9
129.06989	14.8
131.08568	13.1
133.06487	4.0
133.10146	10.8
135.11647	3.7
137.09537	3.6
141.06870	2.0
142.07820	2.8
145.10132	3.5
147.08098	3.6
147.11691	26.2
149.09612	6.7
153.01768	1.9
153.24950	1.9
157.10098	16.9
161.05937	5.8
165.06940	5.4
165.12775	6.2
167.07039	4.7
175.11214	20.8
180.44431	2.1
182.07184	2.9
193.06477	5.4
193.12256	93.8
193.15891	4.1
199.07605	2.1
199.79120	1.8
210.06644	4.1
211.13292	48.5
221.05923	5.4
225.09126	7.7
227.06981	2.3
229.04956	2.9
229.14297	11.4
238.06252	2.3
253.03571	5.8
253.08606	9.2
255.06664	1.9
259.02435	2.1
267.15967	15.9
285.03949	6.6
285.07623	7.2
285.11508	17.8
285.16934	67.6
287.05524	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03939	4.1
54.74647	1.8
55.01858	4.4
55.05511	23.7
57.03438	43.7
66.61392	2.0
67.05174	2.5
67.05503	32.0
69.03405	5.5
69.07076	10.5
71.04981	10.3
79.05074	2.5
79.05494	34.0
81.03417	92.6
81.06592	2.7
81.07054	43.5
83.04982	14.8
83.08152	2.4
83.08618	33.3
85.02907	80.7
85.06534	3.5
89.24240	1.6
91.05486	38.4
93.07043	22.0
95.04379	2.1
95.04974	39.2
95.08598	15.4
97.02885	6.2
97.06509	6.6
97.10158	4.3
99.08027	2.1
105.07035	34.6
107.04942	6.6
107.08605	13.2
109.06487	5.5
109.10136	7.7
111.04430	4.3
111.08092	19.3
113.05980	5.4
117.06965	2.3
119.05042	1.7
119.08583	29.4
121.06532	3.2
121.10159	17.5
123.07999	3.9
123.11662	5.0
129.07031	10.3
131.08548	16.8
133.06497	2.7
133.10127	16.4
135.04451	10.7
135.11685	3.1
137.09563	2.1
142.07738	3.6
145.10072	5.4
147.07994	3.2
147.11688	88.2
149.09628	8.7
157.09148	1.8
157.10156	21.8
159.11661	2.5
161.13370	2.2
165.12726	5.5
173.03578	3.2
175.11179	23.3
177.50967	1.9
193.12244	100.0
197.13359	3.2
211.13289	81.6
240.04990	1.6
242.05789	8.3
244.34665	1.7
246.00536	2.0
253.08485	2.3
267.15790	3.8
270.05408	2.1
285.07642	28.3
285.10660	3.1
285.16937	85.0
285.21783	17.1
285.29669	2.8
296.69019	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.40473	1.5
52.65308	1.6
53.03941	3.6
55.01866	5.3
55.05513	20.6
57.03439	46.4
57.07085	2.0
60.08164	4.7
61.96960	1.8
64.92412	1.6
65.03915	3.2
67.05504	34.9
69.03419	4.4
69.07066	13.1
69.84122	8.5
69.86260	1.6
69.87745	1.6
70.97395	1.7
71.04986	8.1
79.05492	30.0
81.03421	79.0
81.07059	47.5
82.52114	1.6
83.04975	14.8
83.08618	30.1
85.02906	79.2
85.06537	3.3
91.05481	42.1
93.07043	27.4
95.04974	38.5
95.08611	19.9
97.02884	4.2
97.06516	7.5
97.10154	4.5
99.08067	2.9
103.40862	1.8
105.07038	31.9
107.04956	9.2
107.08586	11.6
109.06525	8.3
109.10139	5.4
111.04411	3.8
111.08086	18.4
113.06004	6.4
117.07040	3.6
119.08585	27.8
121.06530	2.3
121.10139	14.8
123.08080	4.9
123.11698	4.5
129.07021	13.8
131.08588	18.8
133.06493	4.2
133.10143	13.8
142.07747	4.8
145.26782	2.0
147.08052	2.6
147.11681	28.8
149.09616	9.8
157.10127	20.4
163.11244	2.1
165.12738	6.8
170.45976	2.1
175.11180	26.2
193.12248	95.6
194.52425	2.0
198.63058	2.1
211.13307	67.4
242.05722	6.2
267.15924	4.2
270.05118	2.3
284.33130	5.6
285.07623	21.7
285.16959	100.0
285.29645	1.8
285.30182	2.1
285.33463	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	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.03651	2.4
52.04456	2.0
52.26063	2.1
53.03943	3.5
55.01845	2.8
55.05516	19.2
57.03444	52.0
57.07071	2.8
60.29418	2.3
67.05511	37.9
69.03436	4.0
69.07081	11.1
69.42583	12.9
69.42995	5.0
70.48717	2.1
71.04987	9.4
79.05505	32.3
79.05926	4.1
81.03426	80.8
81.07059	44.2
83.04991	22.1
83.08629	33.4
85.02913	71.9
85.06548	4.2
90.94599	1.9
91.05485	50.1
93.07047	25.0
95.04978	34.5
95.08620	21.0
97.02888	5.5
97.06529	4.4
105.07043	34.1
107.04960	5.6
107.08592	11.7
109.06503	8.4
109.10168	3.4
111.04491	3.6
111.08092	16.1
113.06014	6.7
114.71412	1.9
115.05407	2.6
117.06971	2.4
119.08597	26.9
121.06528	2.2
121.10168	13.5
123.08062	3.9
123.11761	4.9
129.06987	12.2
131.08575	14.7
133.06438	3.2
133.10152	15.1
137.09694	3.5
142.07797	3.4
145.10126	2.3
147.11703	23.8
149.09607	10.0
157.10153	23.5
165.12727	3.7
175.11203	28.6
193.12256	84.4
211.13303	67.4
242.05707	2.7
267.15897	3.4
285.07639	8.4
285.16980	100.0
285.24133	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
51.81342	1.9
53.03939	4.2
55.01862	3.3
55.05517	21.7
57.03440	48.7
67.05173	2.9
67.05507	38.7
69.03410	5.9
69.07073	11.4
71.05001	12.2
79.05064	2.6
79.05495	34.1
81.03422	81.9
81.07059	45.5
83.04980	19.0
83.08624	34.3
85.02907	89.9
85.06550	2.5
91.05486	49.0
93.07049	27.1
95.04967	35.1
95.08612	22.3
97.02909	3.5
97.06516	6.4
97.10162	4.0
99.08074	2.5
105.07037	36.8
105.57209	1.6
107.04976	5.7
107.08596	13.1
109.06520	7.0
109.10156	7.7
111.04432	4.1
111.08102	17.8
113.06001	6.8
115.05453	2.3
119.08589	29.7
121.06490	2.1
121.10149	14.1
123.08060	3.9
123.11736	5.0
129.06987	15.3
131.08572	17.3
133.06511	4.0
133.10129	13.2
137.09656	2.8
137.13289	2.0
142.07773	3.8
145.10074	3.2
147.08046	4.1
147.11696	28.5
149.09610	10.6
151.11230	2.3
157.10121	21.6
159.11809	2.1
165.12769	6.9
175.11205	26.4
193.12251	95.4
211.13301	75.5
211.15303	4.2
242.05717	4.2
280.66342	1.7
285.07706	15.2
285.16974	100.0
285.25714	2.6
285.29843	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	3.8
55.01863	5.0
55.05513	19.2
57.03438	33.4
57.07061	1.3
60.45387	1.4
66.08856	1.2
67.05177	1.9
67.05506	28.1
68.15591	1.2
68.40257	1.5
69.03439	7.5
69.07061	11.7
69.26743	10.1
70.06583	1.7
70.57504	1.3
71.04994	9.7
73.02930	1.7
79.05064	2.1
79.05495	32.1
81.03421	85.3
81.07060	37.3
83.04984	17.4
83.08620	31.8
85.02907	64.6
85.03328	1.1
85.03432	2.2
85.06529	3.6
91.04913	1.5
91.05482	35.6
93.07045	22.3
95.04971	35.8
95.08603	15.2
97.02889	8.7
97.06537	8.4
97.10167	1.8
98.21449	2.2
98.97593	2.2
99.08101	2.7
103.05442	1.9
105.07026	28.8
107.04948	7.6
107.08602	10.1
109.02907	1.5
109.06502	7.2
109.10136	6.1
111.04444	3.1
111.08079	16.9
113.06022	6.6
115.05473	1.3
117.07001	3.2
119.04922	1.9
119.08588	25.3
121.02874	3.0
121.06469	2.0
121.10143	15.6
123.04425	2.4
123.08063	5.6
123.11700	3.1
127.03921	3.0
129.07008	15.3
131.08585	12.8
133.06488	2.8
133.10118	15.8
135.11687	4.3
137.05971	3.0
137.09622	1.6
137.13245	1.5
141.06985	1.9
142.07776	3.2
143.08537	1.8
144.18758	1.6
145.02904	1.7
145.10098	4.1
147.08060	4.6
147.11710	20.4
149.09610	8.3
150.05446	1.5
151.07544	1.9
153.01863	4.1
153.05487	1.6
157.10130	19.2
161.06029	1.9
163.11244	1.5
164.07001	1.5
165.01874	3.6
165.07028	4.8
165.12799	5.4
175.11188	24.1
177.12721	1.8
182.07207	1.7
193.06557	3.2
193.12251	91.2
201.01907	2.0
210.06746	3.9
211.07762	1.3
211.13287	54.3
211.15282	3.1
221.06096	3.0
225.09177	7.6
229.14342	1.6
238.06277	1.6
245.05063	1.8
249.14894	2.3
253.08600	10.4
257.00897	6.4
267.15933	12.9
270.09024	1.7
285.00482	9.4
285.03622	1.9
285.04593	2.0
285.07614	8.4
285.11295	13.9
285.16965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	3.7
55.01868	2.6
55.05513	22.6
56.74104	1.8
57.03441	43.2
59.04991	1.7
59.52512	1.9
65.03922	3.0
67.05506	30.1
67.10589	1.7
69.03407	6.2
69.07088	9.3
70.82333	5.5
71.04977	7.6
79.05071	2.8
79.05498	36.0
81.03422	88.2
81.07061	40.6
83.04993	16.4
83.08620	31.3
85.02910	68.7
88.74623	1.6
91.05490	41.1
93.07043	25.9
95.04967	36.3
95.08606	17.2
97.02887	6.4
97.06521	6.2
97.10149	2.4
99.08067	2.0
99.14317	1.9
105.07040	34.5
107.04929	6.6
107.08590	10.7
109.06519	8.2
109.10164	4.6
111.04430	3.5
111.08099	18.3
113.05985	5.1
115.05424	2.2
117.07043	2.0
119.08584	21.8
121.10144	16.6
123.08031	6.2
123.11719	3.8
129.06985	11.3
131.08577	16.9
133.06493	3.5
133.10118	17.7
137.09593	3.0
142.07779	5.4
147.08009	2.4
147.11705	25.8
149.09637	8.6
153.01805	3.4
153.05602	3.0
153.06909	1.9
157.10159	18.8
161.05940	2.6
165.07030	3.1
165.12727	8.9
175.11186	23.7
193.12248	84.0
210.06662	2.6
211.13307	56.1
225.09055	3.7
227.14365	2.4
253.08621	7.6
267.15979	7.4
275.44083	1.7
285.07892	3.2
285.11505	7.8
285.16949	100.0
291.82956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	3.6
55.01873	2.9
55.05515	14.7
57.03439	26.0
67.05177	1.6
67.05508	23.5
69.03412	4.9
69.07069	6.3
69.49469	9.5
71.04978	5.0
76.59540	1.3
79.05499	19.9
81.03419	100.0
81.07056	30.0
83.04990	10.8
83.08155	1.6
83.08624	26.6
85.02907	39.7
85.06546	2.9
91.05489	29.8
93.07049	14.5
95.04381	1.9
95.04966	32.0
95.08617	12.2
97.02859	4.2
97.06517	4.3
97.10140	3.1
105.07026	23.7
107.04944	7.2
107.08562	6.3
109.06515	6.4
109.10143	4.6
111.04474	2.1
111.08086	16.1
113.05991	3.1
119.08580	21.3
121.06495	2.1
121.10143	10.5
123.08047	5.5
123.11716	3.9
129.07011	12.0
131.08568	10.7
133.06476	2.5
133.10135	9.5
137.05966	1.5
137.09604	4.1
142.07767	2.7
147.08011	3.7
147.11685	18.2
149.09618	6.0
153.01810	3.7
157.10144	16.8
161.05991	2.2
165.07010	1.8
165.12746	5.8
175.11189	19.9
193.12250	83.6
211.11320	2.8
211.13277	42.9
221.05984	2.5
225.09125	3.0
229.14311	4.6
253.03609	5.0
253.08621	3.0
267.15952	14.7
285.08218	2.5
285.11285	6.8
285.16937	57.1
285.21887	2.2
287.05722	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	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03940	5.8
55.01865	5.7
55.05513	25.5
55.52659	1.9
56.96558	3.0
57.03440	43.0
57.07061	2.5
59.05014	2.3
65.03950	1.9
67.05507	40.0
68.17187	1.8
69.03448	9.0
69.07071	9.8
69.44539	3.7
69.44946	12.4
70.06590	2.2
71.05002	11.3
71.05309	2.0
79.05067	2.5
79.05495	31.7
81.03424	81.0
81.07055	44.2
83.04981	18.6
83.08620	28.6
85.02909	62.7
85.03319	1.2
85.03432	2.4
85.06546	3.8
87.04505	2.3
91.04906	2.2
91.05479	41.7
93.07051	27.3
95.04977	33.6
95.08607	23.9
97.02893	6.2
97.06523	6.2
97.10175	2.6
98.20794	4.2
98.97601	4.2
105.07034	35.2
107.04954	6.1
107.08620	11.8
109.06509	9.1
109.10142	7.0
111.04432	4.2
111.08090	21.7
113.06002	4.3
115.05451	3.1
117.06971	2.1
119.08586	31.2
121.02871	4.2
121.06537	2.7
121.10133	16.3
123.08076	4.1
123.11681	4.1
125.09602	2.7
127.03957	2.8
129.07025	13.6
131.08578	16.4
133.06485	2.9
133.10139	17.1
133.29642	2.0
137.09641	4.6
141.07025	2.1
142.07814	2.8
145.10146	3.6
147.08104	2.0
147.11685	23.0
149.09616	7.1
153.01862	8.6
157.10146	24.2
161.06032	7.1
163.11256	2.6
165.07066	6.4
165.12834	5.0
175.11206	23.0
182.07204	2.4
193.06487	6.1
193.12248	77.7
199.14780	2.1
210.06781	5.9
211.13283	49.0
221.06046	6.9
225.09103	13.9
242.05754	3.3
250.70222	2.1
253.08640	24.8
267.15854	9.1
270.05154	3.4
285.04648	3.3
285.07657	17.0
285.11295	22.7
285.16956	100.0
285.22174	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	285.17
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	4.6
55.01861	4.6
55.05516	15.0
56.96556	4.1
57.03443	25.0
57.07083	1.8
63.60819	1.2
65.03927	2.2
67.05508	26.1
68.99780	1.6
69.03422	5.2
69.07070	11.2
71.05003	7.7
71.05558	1.1
71.07774	1.2
71.08099	2.4
73.02878	1.6
76.63719	1.3
79.05498	25.0
81.03423	100.0
81.07059	33.0
83.04991	11.3
83.08144	1.9
83.08623	28.9
85.02909	40.6
85.06535	3.9
87.04444	1.2
91.05479	28.0
93.07044	18.9
95.04974	36.1
95.08611	15.0
97.02890	6.2
97.06531	5.8
97.10148	4.1
98.97600	3.0
99.04465	2.1
99.08102	2.7
103.05470	1.2
105.07044	24.0
107.04957	9.5
107.08611	9.4
109.02881	1.3
109.06524	6.8
109.10155	4.6
111.04470	3.0
111.08083	16.0
113.06010	5.0
117.07021	2.9
119.04933	1.1
119.08592	25.4
121.02882	2.0
121.06516	2.9
121.10161	14.9
123.04416	3.1
123.08070	3.3
123.11725	6.6
125.09580	2.6
127.03915	2.1
129.07021	10.8
131.04897	1.6
131.08560	12.7
133.06505	3.9
133.10135	12.8
135.08076	1.6
135.11589	1.6
137.05966	2.3
137.09598	2.5
139.03897	2.1
141.07007	1.6
142.07794	3.6
143.08556	1.7
143.84039	1.2
145.10100	4.3
146.03583	1.3
147.04457	6.6
147.08063	4.1
147.11691	24.5
149.09615	5.5
151.03885	1.8
153.01852	13.3
153.07062	1.4
155.08530	1.5
157.10107	19.0
159.11774	1.8
160.05246	2.9
161.05978	4.4
161.09663	2.3
161.13243	1.4
163.03941	2.9
165.05710	1.4
165.06967	6.7
165.12700	7.5
173.06017	2.9
174.54024	1.3
175.11189	20.0
181.04982	2.2
181.06508	2.0
182.07217	3.4
191.03343	4.1
192.04117	1.4
193.06458	4.3
193.12257	77.8
194.07300	1.5
199.14813	2.3
205.04897	2.2
208.20818	1.2
210.06734	3.6
211.07544	2.3
211.13292	41.5
211.15263	2.1
212.98045	1.2
221.05988	5.5
225.09195	9.7
229.14326	6.2
238.06189	1.7
239.07124	3.8
242.05746	1.9
242.09410	1.3
243.06615	1.6
249.07632	1.6
249.14719	1.5
253.08601	18.1
257.08160	2.8
267.15915	12.9
270.05188	1.8
285.07568	29.5
285.11237	17.0
285.16953	56.2
285.22116	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
53.55203	2.3
55.01861	6.4
55.05520	24.2
56.15648	2.3
56.96549	4.9
57.03437	44.5
57.07050	3.5
59.04982	3.7
60.82309	2.4
63.00035	3.4
65.03925	4.2
65.14742	2.5
66.63186	2.2
67.05508	44.6
69.03401	9.3
69.07069	27.2
69.46709	2.8
71.04967	9.2
71.54330	2.7
71.54736	3.0
74.87106	3.1
76.06282	2.4
79.05083	2.3
79.05502	37.4
81.03417	61.6
81.07060	100.0
83.04992	19.2
83.08629	27.5
85.02450	2.9
85.02910	49.5
85.06521	10.8
91.05479	43.2
93.07056	29.8
95.04964	29.7
95.08613	32.1
97.02875	13.9
97.06508	10.2
98.97540	8.7
98.98513	2.7
99.04489	3.4
99.08083	5.4
105.06400	4.1
105.07044	46.5
107.04926	5.3
107.08611	23.7
109.02872	5.6
109.06527	6.1
109.10129	11.1
111.04401	3.3
111.08062	15.4
113.05975	4.4
116.98663	3.4
117.06980	5.6
119.08584	41.9
120.59628	2.9
121.06472	4.8
121.10145	28.3
123.08054	7.7
123.11742	22.5
125.09603	7.3
127.03877	5.8
127.07522	4.6
129.06973	10.7
131.08592	16.3
133.06496	5.6
133.10124	14.2
135.11755	3.2
137.05972	5.7
137.09660	5.2
143.08542	6.3
145.10063	8.0
147.08148	4.0
147.10504	3.8
147.11684	70.7
149.09557	8.9
153.01826	8.6
154.07738	3.2
155.08472	4.3
157.10162	15.0
159.11658	5.1
161.05983	14.7
161.13216	3.3
165.07019	15.9
165.12776	33.1
165.21999	2.6
169.10017	3.0
171.11627	2.8
173.13164	3.1
175.11205	18.6
181.06519	3.0
182.07214	8.1
183.13809	6.8
193.06541	14.9
193.12253	65.1
201.12636	3.6
201.16225	3.7
210.06729	14.3
211.13275	48.1
221.06044	20.5
225.09122	38.0
227.06848	2.6
228.25380	2.8
229.14417	5.6
238.06120	6.0
242.05603	9.1
249.02930	3.6
249.18436	5.6
253.08606	71.6
254.09158	4.5
255.06516	3.3
267.15860	6.7
285.07492	48.0
285.11127	50.7
285.16904	92.5
285.21646	18.0
285.29633	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03934	2.2
55.01862	5.4
55.05516	22.5
56.96552	3.1
57.03444	46.7
58.03019	1.8
59.04995	2.4
65.86041	1.8
67.05513	32.4
69.03418	7.6
69.07074	11.1
71.04996	11.1
79.05499	33.1
81.03426	90.9
81.07068	45.7
83.04978	14.4
83.08160	2.4
83.08627	36.7
85.02917	80.6
85.03429	4.6
85.06519	2.9
91.05487	37.1
93.07058	25.4
95.04975	35.1
95.08617	14.9
97.02899	11.4
97.06523	7.4
97.10155	4.9
98.97561	3.8
99.08050	2.8
105.07040	30.0
107.04971	6.1
107.08617	12.1
109.02866	4.2
109.06558	9.1
109.07165	1.9
109.10153	5.2
111.04446	3.2
111.08089	19.0
113.05996	5.6
119.07791	2.6
119.08591	27.4
121.10159	17.5
123.08023	3.0
123.11693	4.3
125.09659	1.7
129.07019	12.0
131.08572	14.9
133.06450	3.9
133.10146	17.2
137.09621	3.1
142.07803	2.1
145.10117	2.0
147.08061	4.8
147.11696	24.5
149.09592	8.1
157.10115	20.1
161.05997	3.1
165.07111	2.2
165.12755	7.3
168.17343	1.7
175.11195	22.8
185.48680	2.0
193.12263	100.0
210.06812	2.7
211.13307	90.5
212.45975	1.9
225.08980	4.4
229.43100	2.1
242.05750	2.8
253.08623	12.8
267.09201	2.5
267.15881	2.8
285.07468	6.9
285.10727	8.4
285.16962	91.6
285.22003	3.8
291.03955	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03958	1.4
55.01873	3.8
55.05518	21.9
57.03447	47.5
59.04993	1.7
65.03943	1.8
67.05189	2.0
67.05516	32.0
69.03429	5.5
69.07074	11.6
69.28668	4.6
69.29092	8.4
71.05000	10.3
79.05068	2.2
79.05505	31.8
80.69398	1.4
81.03429	91.8
81.07066	39.9
83.04990	16.6
83.08632	38.7
83.09142	3.2
84.93587	1.5
85.02919	82.6
85.06544	3.9
86.08165	1.7
91.05495	40.0
93.07063	26.4
95.04979	36.8
95.08614	14.2
97.02900	4.3
97.06532	4.7
97.10176	3.5
99.04379	1.6
105.07043	33.2
107.04964	7.2
107.08629	9.7
109.06527	5.9
109.10168	5.0
111.04452	5.0
111.08102	20.8
112.00629	1.6
113.06007	4.5
115.05455	2.3
119.08595	25.7
121.06541	3.2
121.10155	16.7
121.24364	1.6
123.08094	4.2
123.11741	3.1
125.09586	2.0
129.07034	12.2
131.08598	13.7
133.06491	4.9
133.10150	15.1
137.09573	2.9
142.07787	4.7
145.10167	3.2
147.08072	4.9
147.11711	25.3
149.09618	6.0
151.11176	1.6
157.10158	22.1
165.12769	6.1
175.11208	28.3
186.30428	1.5
193.12277	100.0
211.13324	77.8
229.14308	1.4
242.05865	3.8
244.93716	1.5
267.15955	3.6
270.05258	3.0
285.07632	14.2
285.16989	94.3
285.22141	3.7
285.29813	1.8
285.33301	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	3.2
55.01879	2.8
55.05510	20.7
55.83343	1.7
57.03442	41.6
57.07095	1.8
57.49421	1.5
58.52608	1.6
58.94184	1.8
65.03932	3.0
67.05508	30.3
69.03422	6.2
69.07068	9.9
69.38024	12.4
71.04999	8.8
77.81940	1.5
78.59270	1.6
79.05502	33.8
81.03423	84.2
81.07067	40.6
82.54588	1.9
83.04982	17.3
83.08156	2.2
83.08625	28.2
84.59103	1.6
85.02911	60.9
85.06573	3.0
91.05489	39.6
93.07048	24.5
95.04977	39.3
95.08620	17.6
97.02897	4.6
97.06532	6.8
97.10181	3.1
103.05444	1.8
105.07037	35.6
107.04966	7.1
107.08610	9.9
109.06533	7.7
109.10188	4.0
111.04438	5.6
111.08080	16.6
113.06029	4.1
113.49810	1.6
115.05467	1.7
119.08591	24.3
121.06520	3.3
121.10145	14.9
123.08060	5.3
123.11723	3.7
129.07024	12.0
131.08575	13.9
133.06531	3.2
133.10139	15.8
137.09651	2.7
142.07784	3.9
145.10139	4.6
147.08020	4.2
147.11705	19.2
149.09639	7.3
152.86743	1.7
153.01820	3.7
157.10149	19.3
161.06017	3.4
165.07048	2.7
165.12775	6.5
165.95941	1.8
175.11203	23.0
193.06485	4.0
193.12257	90.0
211.13309	61.1
221.05959	2.6
225.09163	3.5
253.08614	5.9
267.15906	10.3
285.07919	3.4
285.11316	7.6
285.16983	100.0
309.65262	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01857	3.8
55.05510	20.0
57.03437	40.9
57.07055	2.5
59.04993	3.0
67.05185	1.6
67.05504	26.6
69.03413	6.3
69.07083	9.6
71.04977	6.3
71.23171	1.6
71.54262	2.1
79.05069	2.4
79.05495	32.8
81.03416	85.2
81.07053	33.2
83.01373	1.3
83.04977	17.9
83.08160	1.7
83.08619	36.1
85.02904	72.0
85.06534	4.4
85.19029	1.4
89.60536	1.4
91.05484	30.2
93.07040	21.6
95.04964	34.3
95.08615	13.4
97.02900	16.1
97.06525	5.4
97.10137	3.2
99.08124	1.5
105.07028	26.8
105.70052	1.9
107.04945	7.1
107.08612	10.7
109.02864	7.5
109.06496	6.2
109.10110	3.4
110.81860	2.2
111.04428	3.4
111.08064	20.5
113.06010	7.5
117.07065	2.3
119.08582	25.8
121.06515	2.1
121.10144	16.4
123.08012	2.2
123.11665	4.3
124.74343	1.6
127.03927	4.9
129.07005	10.1
131.08551	11.9
133.06461	3.6
133.10164	10.1
137.09558	3.7
142.07726	3.1
145.10124	3.4
147.08038	4.3
147.11679	29.9
149.09621	7.3
157.10120	21.4
161.05956	2.0
165.07025	1.9
165.12779	5.2
175.09741	2.6
175.11176	23.2
182.07455	1.7
193.06456	2.1
193.12239	100.0
210.06718	2.1
211.13284	81.8
221.05917	3.0
225.09137	5.9
242.05678	2.5
253.08562	10.4
267.15869	2.9
285.07748	12.5
285.11020	5.8
285.16940	84.7
285.22058	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
53.16249	0.6
55.05503	1.3
57.07070	0.9
67.05499	1.4
69.07055	1.1
81.07043	1.8
84.25761	0.6
91.05476	1.7
93.07041	1.2
95.08635	1.6
98.20756	1.9
105.07072	4.3
107.08599	1.6
109.10147	1.1
117.07001	1.5
119.08596	3.5
121.10184	1.3
123.11696	0.8
130.07779	0.9
131.08580	1.9
133.10176	4.0
139.56857	0.7
145.10129	5.1
147.11696	100.0
157.10173	1.4
159.11674	2.2
161.13289	0.7
169.10141	0.8
170.10889	0.6
171.11694	1.4
173.13231	1.2
184.12445	1.1
185.13286	1.8
197.13290	2.1
199.14792	2.2
209.09166	0.6
211.14656	0.7
213.16435	0.7
229.03413	0.9
237.16309	1.5
252.18753	1.7
253.10577	1.1
258.01978	0.7
267.21207	1.1
285.07547	1.9
285.22198	25.5
285.25745	2.6
285.29895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
53.03944	0.2
55.05515	0.6
55.52766	0.1
67.05511	0.8
69.07078	0.8
70.86308	0.3
71.04987	0.2
71.08665	0.1
72.46957	0.1
72.60772	0.1
79.05495	0.6
81.07065	1.1
83.08625	0.4
85.02936	0.1
91.05481	1.2
93.07065	1.1
95.08617	1.8
97.10149	0.1
105.07044	2.9
107.08609	1.4
109.06543	0.2
109.10165	0.9
111.08109	0.2
112.24050	0.1
115.05380	0.2
117.06993	0.9
119.08589	3.1
121.10146	1.2
123.11710	0.5
128.06146	0.2
129.06981	0.3
130.07782	0.6
131.08562	1.2
132.09380	0.3
133.10152	3.8
135.11688	0.4
137.13251	0.1
142.07780	0.2
143.08580	0.4
143.21625	0.1
144.09323	0.3
145.10138	4.3
145.11299	0.2
146.10994	0.6
147.11699	100.0
148.12018	0.3
149.13342	0.3
155.08597	0.2
156.09361	0.5
157.10136	1.1
158.10889	0.2
159.11705	2.4
161.13237	1.1
163.11206	0.3
165.12798	0.3
168.09381	0.1
169.10135	0.4
170.10907	0.5
171.11705	1.3
172.12407	0.2
173.13275	1.5
175.14859	0.4
181.10214	0.2
182.10912	0.2
183.11708	1.0
184.12506	0.6
185.13289	1.9
187.14847	0.4
193.12282	0.2
195.11722	0.2
196.12411	0.3
197.13286	2.4
198.14020	0.3
199.14856	1.5
201.16415	0.2
203.41727	0.1
209.13278	0.3
210.13989	0.2
211.14917	0.8
211.16643	0.2
213.16446	0.4
223.14761	0.3
224.15631	0.2
225.16563	0.2
229.19536	0.2
237.16434	1.8
238.17342	0.2
252.18758	2.1
267.21063	1.5
285.07584	0.7
285.22162	26.1
285.25668	1.9
286.22479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
55.05506	2.2
56.96562	1.4
57.03439	0.7
57.07085	1.1
67.05496	1.5
69.07060	1.2
70.50769	1.0
70.51102	0.6
79.05494	1.4
81.03427	0.7
81.07068	2.0
83.01944	0.5
83.08643	0.5
91.05499	2.6
93.07046	1.6
95.05009	0.7
95.08623	2.1
97.02918	0.6
97.10165	1.1
98.97581	0.7
105.07029	3.9
107.08608	1.6
109.10162	1.2
111.08045	0.6
117.07013	0.8
119.08573	4.4
121.10130	1.3
125.09609	0.9
130.07767	1.0
131.08572	1.5
133.10107	4.3
142.86185	0.6
143.08543	1.2
144.09367	0.8
145.10147	5.0
146.10921	0.8
147.11687	100.0
155.08604	0.6
155.49918	0.5
156.09285	0.7
157.10132	1.8
159.11687	2.0
161.13235	1.4
169.10194	1.1
170.10910	1.1
171.11673	1.9
173.13290	1.5
175.11124	0.7
183.11668	1.3
185.13257	1.2
187.14816	0.6
197.13269	2.1
199.14828	1.6
211.14841	1.0
222.97021	0.6
237.16373	1.6
239.17953	1.6
242.05792	2.4
252.18678	1.3
267.20996	2.1
270.05139	1.0
285.07602	8.1
285.22098	26.6
285.29419	0.8
298.43588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
51.07017	0.3
55.05508	0.9
57.03430	0.5
67.05517	1.8
69.03408	0.3
69.07063	1.2
70.64233	0.7
72.08150	0.3
79.05508	1.0
81.03410	0.5
81.07065	1.5
83.04963	0.3
83.08582	0.5
85.02921	0.6
91.05460	1.8
92.52945	0.3
93.07055	1.4
93.37392	0.3
95.08606	2.2
97.02824	0.3
97.06476	0.3
98.97554	0.3
105.07021	2.9
107.08617	1.7
109.10172	0.8
110.65090	0.3
116.06303	0.3
117.07027	1.0
117.81013	0.3
119.08575	3.2
121.10136	1.0
123.11722	0.5
129.07042	0.4
130.07808	0.7
131.08582	1.1
132.09355	0.4
133.10141	3.0
142.07791	0.6
143.08495	0.5
144.09300	0.4
145.10121	4.2
146.10905	0.5
147.11694	100.0
155.08591	0.3
156.09320	0.7
157.10133	1.7
159.11690	2.7
161.13261	1.2
169.10144	0.5
170.10904	0.5
171.11662	1.3
173.13248	1.4
183.11655	1.0
184.12495	0.7
185.13293	1.6
187.14742	0.6
196.12480	0.4
197.13297	2.8
199.14873	1.7
209.13222	0.5
211.14871	0.7
213.16438	0.3
225.09206	0.3
225.16370	0.3
237.16393	1.9
242.05768	1.1
252.18620	1.5
253.08421	0.5
256.14896	0.3
267.21091	1.5
270.05045	0.7
285.07620	3.6
285.22131	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	286.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.41249	0.2
55.01868	0.4
55.05534	0.2
55.19807	0.2
56.96563	0.5
57.03433	0.5
61.02932	0.5
69.03432	0.8
69.86256	1.0
73.02902	0.4
76.03639	0.2
79.05487	1.1
81.03423	0.5
83.24722	0.2
85.02916	2.3
91.05481	0.6
95.04977	0.4
97.02917	0.9
98.97583	0.9
99.91802	0.2
101.01172	0.3
101.59147	0.2
106.06565	100.0
106.90733	0.2
107.06857	0.3
107.94324	0.2
115.03944	0.2
116.98666	0.4
118.06562	3.4
118.44168	0.2
119.04926	0.3
123.04436	0.3
124.07626	1.9
127.03928	0.5
130.06577	0.7
131.00322	0.2
132.08075	0.4
137.05984	0.4
145.05025	0.3
146.06010	0.2
148.07559	1.0
160.07605	0.3
163.04019	0.3
165.05489	0.5
221.00816	0.2
221.96567	0.3
226.09364	0.3
232.09703	0.3
254.09155	0.2
262.06070	0.9
262.56174	0.4
268.11929	0.6
271.06506	0.3
286.07950	0.3
286.13028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05498	0.3
57.05815	0.3
57.07078	5.8
58.06342	0.2
58.06598	1.2
62.06077	0.8
70.06579	0.8
71.08634	2.8
72.08157	17.8
81.07070	0.2
85.10171	1.1
87.04493	0.3
88.07624	1.2
90.09197	13.5
91.05437	0.2
95.08588	0.2
156.17456	0.2
159.60164	0.2
169.44226	0.2
174.18513	0.6
202.43419	0.2
206.72665	0.2
212.23737	0.6
230.24792	2.5
240.26978	0.3
242.28429	0.6
286.07693	0.3
286.31039	100.0
287.05505	0.2
287.31351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01867	0.2
56.89336	0.1
57.90606	0.1
65.03924	0.2
67.01878	0.2
67.05486	0.1
68.99438	0.2
68.99792	1.7
69.03407	0.2
69.27210	1.0
71.01361	0.1
74.11617	0.1
79.05500	0.6
80.76736	0.1
81.03405	0.3
81.07056	0.4
91.05512	0.2
93.07050	0.2
95.04954	0.2
97.02828	0.1
98.97586	0.1
103.05450	0.2
105.03365	0.7
105.07038	0.3
107.04963	0.9
107.08665	0.1
109.02905	0.7
109.10155	0.2
111.00812	1.5
111.04427	0.3
111.63088	0.1
119.04911	0.1
121.02874	5.8
121.03850	0.3
121.06516	0.2
121.10217	0.1
127.03941	0.2
129.06990	0.3
133.02867	1.0
135.04424	0.4
137.02338	2.0
137.05998	0.1
141.06987	0.3
145.06477	0.5
147.04414	1.1
153.01836	9.5
157.06491	1.1
161.05980	0.3
163.03831	0.1
165.01846	3.6
166.02556	0.2
169.06517	0.2
171.03082	0.1
171.04387	0.7
183.02924	1.4
184.05161	0.2
185.05983	1.2
189.05478	0.3
197.05965	0.3
199.03818	0.1
201.05434	0.1
203.03354	0.2
203.07019	0.2
213.05486	2.9
217.04996	0.1
229.05003	0.3
231.06519	1.3
241.04967	1.6
243.06461	0.3
258.05246	1.9
259.06070	0.9
269.04492	0.4
286.04507	0.1
287.05505	100.0
288.05881	0.8
298.03882	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66015	0.1
53.03938	0.2
55.01857	0.3
55.05492	0.4
56.96555	0.3
57.03436	0.2
57.07056	0.1
65.03928	0.3
67.01853	0.3
67.05505	0.6
68.99442	0.1
68.99794	1.6
69.03439	0.5
69.07068	0.6
70.62564	0.3
71.04990	0.2
78.67654	0.1
79.05491	1.0
81.03423	0.5
81.07059	1.0
83.04979	0.1
83.08621	0.2
85.02896	0.3
87.04430	0.1
89.03899	0.1
91.05481	0.6
93.03415	0.1
93.07034	0.7
95.04977	0.6
95.08596	0.8
97.02895	0.3
97.06533	0.5
97.10157	0.1
98.97573	0.7
103.05477	0.5
105.03392	0.9
105.04490	0.1
105.07030	1.2
107.04958	1.1
107.08603	0.8
109.02869	0.8
109.06502	0.2
109.10133	0.6
111.00816	1.2
111.04426	0.3
111.08103	0.2
111.11766	0.1
115.05449	0.1
116.98585	0.1
117.07001	0.2
119.04935	0.2
119.08589	0.8
121.02872	4.9
121.03923	0.3
121.06494	0.4
121.10118	0.6
123.04440	0.4
123.08066	0.2
123.11681	0.3
127.03915	0.4
128.06216	0.1
129.06993	0.4
131.04898	0.4
131.08575	0.3
131.79242	0.1
132.99583	0.1
133.02870	0.8
133.10133	0.7
135.04417	1.0
135.08058	0.4
135.11693	0.3
137.02350	1.5
137.05975	0.7
137.09535	0.1
141.06990	0.3
142.07790	0.1
143.08560	0.2
145.06503	0.6
145.10089	0.5
147.04393	1.1
147.08063	0.1
147.11690	0.8
149.05966	0.3
149.13292	0.3
151.03914	0.1
151.07597	0.2
152.06114	0.1
153.01830	9.0
153.34489	0.1
157.06496	1.2
157.10104	0.1
159.11661	0.5
161.02393	0.2
161.05974	0.4
161.13261	0.3
163.03902	0.8
163.07582	0.7
163.14787	0.1
165.01845	3.0
165.07039	0.1
165.09041	0.2
166.07805	0.1
167.07088	0.2
167.08559	0.7
169.06409	0.2
171.02884	0.2
171.04416	0.5
171.11650	0.2
173.13246	0.2
175.03937	0.2
175.07535	0.2
175.14717	0.2
177.09148	0.1
183.02919	1.3
183.06529	0.3
184.04984	0.1
185.05959	0.9
185.13272	0.1
185.96170	0.1
187.14729	0.1
189.05479	0.3
189.09251	0.1
189.16289	0.1
193.16002	0.1
194.07213	0.1
195.08064	1.0
195.13791	0.2
196.08746	0.1
197.06009	0.3
199.07455	0.1
203.03522	0.1
203.07019	0.3
209.09601	0.2
212.08311	0.2
213.05469	2.4
213.16318	0.2
216.04251	0.1
217.04892	0.1
219.01738	0.2
222.99272	0.1
223.07552	0.3
226.06351	0.1
227.10623	1.0
227.17987	0.1
229.04938	0.3
231.06497	0.9
237.02876	0.2
241.04955	1.2
243.06477	0.2
245.04491	0.1
255.10161	0.8
258.05258	1.8
259.05994	0.7
263.05621	0.1
269.04459	0.5
269.07996	0.1
269.22607	0.4
272.10541	0.1
287.05499	100.0
287.23587	2.0
288.05740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01882	0.1
65.03953	0.3
67.01845	0.3
67.79834	0.1
68.99787	1.6
69.03422	0.3
69.07047	0.2
71.45080	0.2
71.45422	0.1
73.30676	0.1
79.05489	0.8
80.77037	0.1
81.03399	0.3
81.07048	0.4
85.38054	0.1
91.05463	0.2
93.07055	0.2
95.04955	0.3
95.08592	0.1
97.02885	0.4
97.06509	0.2
98.97590	0.1
103.05492	0.3
105.03390	0.7
105.07027	0.3
107.04948	1.4
109.02908	0.9
111.00819	1.3
111.04455	0.1
115.05467	0.2
117.07031	0.2
119.08535	0.2
121.02007	0.3
121.02877	5.8
121.03870	0.3
121.10185	0.1
125.00563	0.1
127.03917	0.3
128.06201	0.1
129.07031	0.3
131.04990	0.1
131.08546	0.1
133.02847	0.6
135.04417	0.5
137.02347	1.7
141.06946	0.2
145.06471	0.5
147.04428	1.2
147.08084	0.1
153.01834	9.0
157.06519	1.0
161.05991	0.5
163.03876	0.1
163.07581	0.3
165.00545	0.2
165.01849	3.4
167.07028	0.5
171.03085	0.1
171.04362	0.7
175.03891	0.2
183.02898	1.5
185.05959	0.9
189.05476	0.2
195.10216	0.3
197.05972	0.3
203.07039	0.3
213.05476	2.7
213.11226	0.2
229.04936	0.4
231.06528	1.2
241.04956	1.3
243.06592	0.2
257.11176	0.4
258.05240	2.0
259.06042	0.7
269.04413	0.3
287.05505	100.0
288.05798	0.6
293.19901	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03936	0.1
55.01863	0.2
65.03950	0.2
67.01858	0.2
68.99797	1.5
69.03418	0.2
70.66980	0.3
79.05489	0.5
81.03400	0.4
95.04983	0.2
97.02901	0.1
103.05453	0.2
105.03400	0.9
105.07032	0.2
107.04952	1.1
109.02911	0.6
111.00813	1.4
111.04417	0.2
115.05489	0.1
119.04949	0.1
121.02875	5.8
121.03959	0.3
121.06484	0.1
127.03876	0.2
128.06203	0.2
129.07013	0.3
131.04971	0.1
133.02852	0.7
135.04424	0.3
135.08058	0.2
137.02347	2.1
141.06981	0.2
145.06548	0.5
147.04414	1.1
153.01834	9.2
157.06506	1.3
161.05974	0.3
163.07594	0.1
165.01852	3.5
167.07051	0.3
171.04407	0.6
173.05908	0.1
175.03937	0.2
177.33995	0.1
183.02911	1.5
184.05074	0.1
185.05991	1.0
189.05467	0.3
197.05968	0.4
201.05479	0.2
203.03387	0.2
203.07040	0.3
213.05475	3.0
213.11270	0.1
216.04099	0.1
217.05026	0.1
229.04927	0.3
231.06563	1.1
241.04939	1.5
245.04414	0.1
258.05243	2.2
259.06036	0.8
268.15512	0.1
269.04434	0.4
287.05502	100.0
288.05875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01849	0.1
65.03931	0.3
67.01870	0.3
67.05502	0.2
68.99800	2.0
69.03425	0.3
71.12554	0.1
79.05501	0.6
81.03417	0.3
81.07047	0.3
85.02906	0.2
91.05477	0.1
93.07037	0.1
95.04976	0.2
95.08614	0.2
97.02917	0.2
98.97554	0.1
103.05458	0.3
105.03394	0.6
105.07021	0.3
107.04971	1.0
107.08593	0.2
109.02883	0.8
109.10160	0.2
111.00818	1.4
111.04461	0.3
115.05423	0.1
117.05850	0.1
117.06987	0.1
119.04979	0.2
119.08603	0.1
121.02884	6.2
121.03910	0.4
121.06453	0.2
127.03935	0.3
128.06274	0.1
129.07014	0.4
131.04962	0.1
133.02872	1.0
135.04443	0.4
135.08006	0.2
136.07559	0.3
137.02362	2.0
137.05957	0.3
141.06982	0.3
145.02873	0.1
145.06497	0.5
147.04425	1.2
147.11743	0.2
149.06009	0.1
151.07597	0.1
153.01846	9.4
157.06505	1.2
161.05986	0.4
163.03979	0.2
163.07559	0.2
164.07088	0.2
165.01863	3.2
166.02573	0.1
167.08597	0.4
169.06496	0.1
171.04402	0.6
173.06017	0.1
173.11813	0.2
175.03914	0.1
175.07570	0.2
182.20566	0.1
183.02916	1.2
185.05995	0.9
189.05466	0.2
194.02144	0.2
195.08020	0.6
197.05956	0.4
199.04022	0.1
203.07060	0.3
212.04593	0.1
213.05484	3.0
216.04269	0.1
219.30154	0.1
223.07614	0.1
227.10722	0.5
229.04996	0.3
231.06538	1.1
241.04968	1.5
251.07454	0.1
255.10208	0.5
258.05280	2.4
259.06021	0.5
269.04446	0.5
269.12277	0.1
287.05524	100.0
288.05838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71323	1.8
85.41973	0.5
95.22472	0.4
98.20846	0.9
101.00860	1.1
119.01887	0.6
143.01915	3.1
161.02982	2.3
176.72070	0.5
261.43433	0.5
287.11035	100.0
288.11313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	0.5
57.03420	1.9
61.24635	0.5
61.50055	0.5
61.50344	0.5
64.05744	0.6
67.05515	0.7
69.03419	0.8
69.07056	0.8
70.71237	1.2
70.71614	1.0
77.03950	0.7
78.04712	1.1
79.05496	5.2
81.07037	0.7
85.06525	1.8
85.17738	0.6
91.05476	3.6
95.04963	2.3
96.92154	0.5
101.00089	0.5
103.05461	7.2
105.07048	5.3
107.04959	51.3
115.05454	2.8
115.26231	0.5
117.07005	1.1
118.06524	2.7
119.04944	0.5
120.05714	1.4
122.06023	1.0
123.03648	0.5
123.04424	3.0
124.05223	2.3
125.06042	0.7
125.55406	0.5
127.92065	0.5
128.69371	0.5
131.04935	2.2
133.06477	1.5
134.03818	0.6
134.07315	0.6
135.08063	16.3
137.05998	1.8
140.07037	0.6
145.07588	1.2
146.06075	0.7
147.04449	1.0
147.06761	0.7
148.07564	0.7
149.06007	1.4
150.06737	0.8
151.03851	0.8
151.07574	0.6
152.04703	1.8
153.01826	0.6
154.06262	2.5
163.07550	38.2
165.05470	1.4
165.09209	0.8
167.07050	100.0
168.07811	0.7
180.07841	3.1
181.08710	1.4
187.26253	0.6
193.08601	3.1
195.10176	29.8
211.09671	5.9
213.11229	41.0
219.10266	0.6
242.11816	1.0
243.15005	1.6
270.11282	1.9
287.05362	0.8
287.14224	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03429	2.5
69.42050	8.6
72.56039	1.1
79.05483	6.7
85.54753	0.9
91.05479	3.4
93.07044	1.1
95.04963	2.4
103.05471	6.4
105.07040	8.3
107.04963	60.1
113.00243	1.2
115.05458	2.7
117.07076	1.4
120.05737	2.1
121.06483	2.5
123.04410	4.0
124.05162	2.9
125.06004	1.3
131.04938	2.9
133.06450	1.3
133.58885	1.2
135.08063	14.2
137.05936	2.3
145.07568	2.3
149.05983	1.6
154.06261	1.7
163.07549	39.6
165.05493	1.3
167.07048	100.0
180.07823	3.1
181.08517	1.4
193.08626	2.9
195.10175	31.2
210.33026	1.2
211.09636	4.2
213.11234	42.5
287.05450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.8
51.63694	0.7
53.03949	1.4
55.01881	1.1
55.05511	0.8
56.96577	0.8
57.03424	2.4
67.05502	2.2
69.03417	2.0
69.07060	2.0
71.54188	0.8
78.04695	1.1
79.05489	8.5
81.03381	1.0
81.07052	2.1
83.04983	1.0
85.02859	0.7
85.06571	0.8
91.05485	5.9
93.07041	2.8
95.04958	2.7
95.08582	1.0
97.06594	0.8
98.97581	2.5
103.05468	8.2
104.65163	0.8
105.07034	8.7
106.04167	0.8
107.04961	55.0
107.08612	2.3
109.02881	2.0
109.06490	1.6
109.10140	2.0
115.05441	3.0
117.07004	1.4
118.58007	0.8
119.04935	1.2
119.08570	1.7
120.08106	2.1
120.09716	0.7
121.01616	0.8
121.02872	1.4
121.06510	2.5
121.10135	2.0
122.06051	1.6
123.04430	4.6
123.08119	0.8
123.54584	0.7
124.05218	2.6
124.07559	1.1
125.05967	1.2
127.03937	1.0
131.04930	3.3
133.06511	1.6
135.04462	1.6
135.08060	15.7
135.09010	1.3
135.11700	0.7
136.07603	2.2
137.05989	4.4
137.09608	1.0
145.06528	0.9
145.07642	1.3
145.10132	0.9
147.04391	1.6
148.05133	0.8
149.05997	3.5
151.03906	0.8
151.07561	2.2
152.04713	1.3
152.06194	1.6
153.01868	2.2
154.06297	2.3
158.99667	1.9
161.05994	0.9
163.03944	1.0
163.07550	40.2
164.07091	1.3
165.01820	0.9
165.06906	0.9
165.09082	1.3
166.07735	1.0
167.07056	100.0
168.07977	0.8
180.07843	3.2
182.65596	0.8
184.08859	0.7
189.12758	0.7
193.08594	3.8
195.08105	7.4
195.10191	28.6
207.09732	1.1
211.09689	4.7
212.08324	1.2
213.11227	41.3
221.07646	1.5
223.07516	1.7
227.10664	8.1
233.15469	1.0
237.09344	0.9
241.09776	2.1
255.10179	5.9
255.92348	0.7
269.12936	1.2
287.05542	14.0
287.09656	4.0
287.13345	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	288.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
56.05038	7.3
56.96568	1.2
57.03433	1.2
68.99424	0.3
69.03430	1.6
69.07032	0.3
69.44968	2.4
70.06580	1.9
72.08129	0.6
72.79356	0.3
74.06081	100.0
74.95914	0.3
77.63641	0.3
81.03418	4.1
84.04498	4.4
85.02921	2.1
86.06057	1.5
86.09715	0.7
94.71682	0.3
97.02876	2.7
98.06056	10.0
98.97581	2.1
99.04473	0.9
102.05548	6.3
109.02133	0.7
109.02882	12.7
114.05537	0.7
116.07096	48.1
116.98627	0.7
120.06583	13.9
120.07446	0.7
120.76653	0.3
121.02898	0.7
123.04440	1.1
125.02345	0.3
126.05530	0.4
127.03926	1.4
130.60463	0.3
135.04446	0.7
137.05994	0.5
139.03886	1.0
144.06561	36.9
145.04976	1.2
153.01817	3.8
162.07643	3.5
210.07596	0.4
215.55548	0.3
219.01892	0.5
228.08685	2.6
232.09631	0.3
237.02827	1.1
240.08649	2.3
246.09741	3.3
252.08873	0.5
256.04123	0.4
265.04623	0.8
270.09738	9.6
288.05804	0.6
288.10767	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	288.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
56.05033	7.4
56.96566	1.9
57.03437	2.2
58.54712	0.6
62.52870	0.6
63.70798	0.6
69.03438	1.9
69.96288	2.3
70.06596	2.3
74.06082	100.0
81.03426	6.1
81.07061	0.9
84.04506	3.7
84.28873	0.6
85.02917	2.6
86.06065	1.0
86.09664	0.7
91.05460	0.7
94.99747	0.7
95.04934	0.7
97.02891	3.3
98.06065	11.2
98.97580	5.1
99.04441	1.7
102.05522	6.3
109.02885	18.1
110.97600	0.9
111.04443	0.8
116.07096	50.4
116.98605	1.0
120.06582	16.6
121.06525	1.8
123.04454	1.6
124.04767	0.7
124.07625	1.9
127.03925	1.8
128.98665	0.7
135.04427	2.9
137.05998	1.1
139.03931	1.4
144.06567	37.6
145.05028	1.5
147.04327	0.9
151.03938	1.5
153.01839	7.1
153.02974	0.9
158.99683	0.9
162.07610	3.3
163.03970	0.8
182.08188	0.9
183.85579	0.7
188.54974	1.2
219.01790	1.1
228.08742	2.9
237.02905	1.4
240.08751	2.3
246.09866	2.6
246.54930	0.9
251.56647	1.3
265.04810	1.0
270.09772	9.2
270.12766	1.0
288.06042	3.1
288.10849	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	288.2532
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.38912	0.3
56.05036	8.9
57.07075	9.4
58.06597	0.6
58.40044	0.3
69.07065	0.3
70.06596	0.7
70.11047	1.0
71.08629	4.0
74.06081	22.7
85.10175	1.8
88.07631	54.9
88.33077	0.4
99.02951	0.3
102.05540	3.7
106.08655	1.8
116.07089	0.8
120.06585	4.7
121.45102	0.3
122.54883	0.3
184.68633	0.3
242.24779	22.8
270.24255	2.8
288.25342	100.0
288.28708	5.7
289.25711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82290	0.8
53.18887	0.8
55.01864	3.3
57.03452	6.2
58.99861	2.0
61.02931	5.7
69.03431	12.3
70.03752	1.1
70.06621	1.8
70.79092	2.2
70.99859	2.4
71.04990	2.5
73.02924	11.0
74.03251	1.2
74.54411	0.8
77.00935	1.1
79.05469	0.8
80.00629	0.7
81.03414	4.8
81.04541	10.8
82.99837	10.1
83.04998	1.4
84.66376	0.9
85.01421	0.9
85.02910	24.3
86.03214	2.3
86.99333	1.4
87.04456	1.4
89.00902	1.2
92.01228	0.8
93.06986	0.8
95.04963	1.0
97.01402	8.1
97.02902	12.8
98.03243	1.7
98.97607	1.6
99.04452	3.4
101.00888	74.6
102.00957	1.1
103.00653	1.1
103.02441	1.5
109.02851	5.0
110.97629	1.6
111.04485	2.4
113.00867	9.2
115.02433	25.0
115.03873	0.9
117.03983	4.1
119.01929	100.0
120.02038	1.3
121.01633	1.9
123.04474	2.6
125.00847	1.1
125.71039	1.0
126.98788	2.3
127.02415	2.4
127.03921	38.2
127.05043	23.8
127.05997	1.6
128.04266	1.3
129.00377	1.4
129.03017	0.9
129.03969	11.1
131.01913	21.0
131.96194	2.4
132.03471	1.1
133.01752	1.1
133.03485	29.8
135.04419	2.9
137.02959	13.4
137.06001	1.9
139.03960	1.9
141.03973	1.1
142.03485	2.3
143.01910	28.9
144.02055	3.6
144.99850	4.4
145.01668	2.7
145.03461	7.0
145.04976	3.5
146.05348	1.0
147.01439	1.4
147.05009	10.2
148.03883	1.3
149.02986	3.1
151.04622	4.1
153.01871	1.0
153.04134	1.0
153.54092	1.2
155.01894	5.7
156.02042	1.8
157.01627	1.7
157.03529	4.6
159.01393	2.8
159.05133	1.1
161.02971	41.2
162.03070	3.1
162.04456	1.9
163.02740	2.7
167.01932	1.8
168.99835	18.4
169.03468	1.8
169.97870	0.8
171.01392	10.3
171.02873	1.3
171.05125	0.9
172.99373	1.9
173.02968	16.1
173.97231	3.3
174.03099	3.3
174.54553	1.0
175.00987	1.3
175.02904	1.8
175.04517	5.0
175.11894	2.1
177.02434	2.6
177.04071	1.6
179.03941	1.9
183.05060	4.9
183.55145	5.9
184.04877	3.6
185.02943	10.3
185.97209	2.1
186.03192	1.5
186.04648	1.1
187.00896	33.8
187.04486	4.4
189.02444	13.7
189.55220	0.9
190.05960	1.5
191.04012	9.4
192.05598	2.7
192.55626	4.9
193.03656	2.2
193.05556	4.0
196.99327	9.1
197.02948	1.9
198.55695	2.8
199.00900	8.0
199.04440	1.1
199.06171	2.9
201.00734	1.4
201.02431	8.4
203.00328	1.1
203.03981	5.9
205.01961	13.3
205.03746	1.6
207.03566	3.2
207.56216	0.9
208.05962	2.3
213.02541	2.0
215.00391	44.8
215.03839	1.9
217.01971	15.2
217.05569	1.8
219.03496	9.8
221.05135	3.5
222.05264	1.2
227.04051	3.0
229.01961	15.6
231.03580	3.5
233.01425	6.1
233.99339	1.1
238.02014	1.3
245.05135	2.4
247.03029	51.4
251.02539	2.5
253.02037	0.9
257.01447	1.7
259.03110	2.2
263.06027	1.5
264.06299	1.3
265.04031	7.7
270.04581	1.3
271.03036	1.9
276.06409	1.6
277.03882	2.0
289.04120	13.2
289.08774	5.5
289.11932	4.9
289.17969	1.1
293.03516	3.4
294.01501	1.4
294.07379	1.7
295.06918	1.6
307.05118	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	289.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01862	3.4
56.07716	1.1
57.03434	4.6
58.99862	2.0
61.02933	7.2
67.05503	1.4
68.98286	1.1
69.03440	12.4
69.40694	1.0
70.06587	2.7
70.99857	2.4
71.01353	1.5
71.04983	3.8
71.13150	2.0
72.08142	1.4
73.02932	10.1
79.05508	2.1
80.91132	1.3
81.03423	5.5
81.04551	14.3
82.99841	6.9
83.04967	2.4
85.02921	26.5
86.03256	1.8
86.99371	1.2
87.04468	1.7
91.02477	1.5
91.03907	1.5
93.07022	2.3
96.03961	1.2
97.01403	4.8
97.02909	12.2
97.06555	1.7
98.97578	3.8
99.04462	3.8
101.00896	66.4
103.02361	2.2
109.02882	4.4
113.00853	8.0
113.10237	1.2
114.54372	1.1
115.02453	24.6
116.02605	1.3
117.04029	2.7
119.01939	100.0
121.01691	1.8
121.10207	3.3
123.04439	5.4
126.98803	2.1
127.02470	2.0
127.03918	41.6
127.05038	31.5
127.06001	1.9
128.04282	1.5
128.98509	1.2
129.03975	6.7
131.01907	17.6
133.01646	1.7
133.02574	2.4
133.03497	30.1
135.04372	3.8
137.02983	11.7
137.05978	2.9
139.03955	2.6
139.11151	2.4
142.03517	1.8
143.01909	27.8
144.02049	2.6
144.99809	4.1
145.01646	3.4
145.03444	8.6
145.04979	4.0
147.01410	2.7
147.05048	8.2
147.54152	1.5
148.03810	1.5
149.02972	3.6
151.04547	2.1
153.03963	1.7
153.54053	1.9
155.01878	4.3
156.02150	1.8
157.01678	1.3
157.03444	5.4
159.01483	1.6
159.05118	1.6
161.02988	45.6
162.03174	2.1
163.02635	2.6
163.04514	1.4
167.01952	2.4
168.99849	13.7
169.03532	1.8
171.01398	10.2
171.04942	1.4
173.02983	17.7
173.97284	1.5
174.03159	2.8
174.54430	1.8
175.00810	1.6
175.02872	2.2
175.04561	4.8
175.11954	4.0
177.02608	2.4
177.04143	2.1
183.05066	4.3
183.45964	1.4
183.55185	3.5
184.04843	4.2
185.02989	8.3
186.04718	2.9
187.00905	32.3
187.02600	2.1
187.04485	2.7
189.00769	2.2
189.02406	13.4
191.03964	9.9
192.05539	2.4
192.55647	5.2
193.03761	1.9
193.05473	2.7
196.99365	10.3
197.02892	1.7
198.55682	1.7
199.00883	6.9
201.02533	5.9
201.83240	1.4
203.04015	7.7
204.04298	1.5
205.02005	9.6
207.03578	5.2
213.02524	2.6
215.00404	44.8
215.03769	2.2
217.01999	12.1
219.03590	9.4
221.05086	2.1
225.02672	1.4
227.04047	1.7
229.01985	13.4
231.03557	5.1
233.01442	6.9
238.02014	1.5
239.03743	1.2
245.05069	2.3
247.00502	2.3
247.03041	45.8
251.02428	1.8
257.01358	2.0
259.03070	1.8
261.04636	1.3
265.04034	7.7
270.04614	2.2
271.02939	1.7
275.02621	2.1
275.06235	1.7
289.04248	10.3
289.09119	13.3
289.11987	2.9
289.18124	1.6
293.03452	2.0
294.07224	1.4
307.05093	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
52.84863	0.2
53.03946	0.3
55.01864	0.5
55.05497	0.5
56.96553	0.4
57.03452	0.3
62.52774	0.2
65.03951	0.6
67.01545	0.4
67.01873	5.8
67.05495	1.0
68.99794	3.1
69.03440	1.7
69.07059	0.7
71.04971	0.5
71.49039	0.4
72.31688	0.3
79.01853	0.4
79.05510	1.2
81.03429	0.8
81.07061	2.1
83.01356	0.6
83.08614	0.3
85.02898	0.6
85.06548	0.6
89.03923	4.0
91.05492	1.0
93.03426	1.2
93.07063	1.4
95.04975	0.5
95.08627	1.3
96.08122	0.3
96.89834	0.3
97.02892	1.7
97.06532	0.4
98.97555	0.4
99.04444	0.3
105.07055	0.9
107.04965	1.7
107.08602	1.0
109.02888	0.3
109.06519	0.4
109.10171	0.6
111.00799	2.6
111.04441	2.3
117.02630	0.4
117.03394	6.6
117.06937	0.3
118.06586	0.5
119.04939	0.3
119.08594	1.1
120.08149	0.3
121.02881	0.3
121.10146	0.5
123.04440	5.1
123.11665	0.6
124.07590	2.0
124.61864	0.3
125.02351	0.7
127.03951	1.8
127.07507	0.3
129.01836	0.7
131.04932	0.3
131.08589	0.5
133.06404	0.3
133.10104	0.6
135.04430	12.5
135.11810	0.3
136.34177	0.3
137.02277	0.6
137.06013	1.4
138.05518	0.3
139.03915	6.8
139.11191	0.3
145.02863	8.9
145.10126	0.3
147.11742	0.3
148.07532	0.4
151.03882	1.9
153.01840	100.0
154.02220	0.4
159.04407	0.9
161.06013	0.6
161.13252	0.7
163.03918	47.6
163.87517	0.2
164.07072	3.9
166.05002	0.7
167.03433	0.4
167.07033	0.3
169.06508	0.3
171.02899	11.6
173.13283	0.3
177.05489	0.4
179.01862	0.4
179.03410	5.1
187.03888	1.5
188.46861	0.2
205.05005	1.2
215.11919	0.3
223.05971	0.3
229.04883	0.3
233.09488	0.2
244.09660	0.3
246.62975	0.3
247.06087	0.6
253.04579	0.3
271.06042	2.3
271.10764	0.7
271.14380	1.2
289.07083	74.0
289.15433	4.1
289.25336	1.2
290.07437	0.5
291.65518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03931	0.4
55.01851	0.3
57.03432	0.2
61.02928	0.9
62.15533	0.2
68.85155	0.2
69.03431	1.5
70.69849	0.4
70.70250	0.3
72.77625	0.2
73.02905	0.3
81.03413	0.7
85.02907	4.4
91.03967	0.4
97.02891	1.4
109.02852	1.2
115.03952	0.2
123.04434	0.3
127.03921	100.0
128.04262	0.4
145.04935	0.8
190.45868	0.2
278.91537	0.2
289.12592	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03923	2.1
55.01857	1.3
55.05270	1.4
55.05511	20.0
56.71751	1.0
57.03438	1.0
57.07079	7.5
59.04991	1.8
67.05504	25.2
69.03426	3.1
69.07071	60.2
70.92207	2.3
71.04982	3.0
71.08607	1.4
79.05492	18.0
79.62875	1.0
81.03414	2.1
81.07059	88.5
83.04999	1.1
83.08618	14.2
85.02863	2.5
85.06532	6.4
91.05476	11.7
93.07048	42.3
95.04966	7.3
95.08607	59.2
97.06548	7.2
97.10170	6.7
98.97576	2.3
99.08095	2.5
99.09249	0.9
105.07041	31.0
107.08598	52.0
109.02924	1.1
109.06494	4.9
109.10156	37.4
111.08074	10.9
111.11707	10.1
113.09607	1.5
117.06990	2.4
119.07805	1.9
119.08578	24.1
120.08096	1.3
121.10145	38.4
123.04364	1.8
123.08099	2.6
123.11703	50.8
124.07581	1.9
124.83193	1.0
125.09620	3.9
127.03925	2.3
131.08571	5.4
133.10147	20.2
135.04410	2.4
135.08051	1.3
135.11691	25.4
137.09633	7.0
137.13237	10.8
139.11195	10.3
143.08519	1.6
145.10106	9.6
145.99481	1.1
147.11678	18.2
149.13245	21.0
151.11208	9.1
151.14781	1.8
153.01846	2.8
153.12703	2.4
157.10143	1.3
159.11690	15.8
160.10823	1.0
161.13271	17.5
163.11264	1.6
163.14836	13.3
164.07082	11.8
165.12740	9.0
167.14330	2.5
173.13248	9.9
175.14836	14.2
177.12788	2.4
177.16354	10.6
179.14322	3.6
187.14812	6.4
189.16356	11.5
191.14346	1.5
191.17960	3.6
193.15912	3.6
201.16408	7.9
203.17950	4.7
205.15953	1.2
207.17474	2.9
215.17947	8.4
217.19522	3.3
219.17427	2.3
229.19510	3.6
231.21121	1.2
233.18997	2.9
243.21150	1.6
245.16571	1.5
245.22662	19.2
271.14362	2.8
271.24225	20.1
289.05917	6.9
289.15430	9.5
289.25256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.06823	0.5
57.07079	6.2
58.06585	1.3
59.45293	0.3
69.96826	1.5
70.06596	14.1
71.08633	1.9
72.08163	0.6
84.66689	0.3
85.10160	0.8
88.07632	21.4
102.09180	12.2
132.10217	0.4
139.03912	0.8
146.11745	0.7
184.20624	1.3
185.14673	0.3
202.21687	0.8
228.23236	40.5
272.25900	2.7
290.26892	100.0
291.27179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
57.07078	6.4
58.06610	1.4
58.74873	0.2
68.05031	0.3
69.38511	1.3
70.06596	14.2
71.08626	1.5
72.08130	0.4
72.65170	0.2
84.08156	0.3
85.10168	0.7
86.09712	0.3
88.07635	20.9
93.07035	0.2
98.20747	0.3
102.09184	12.6
132.10188	0.6
146.11754	0.6
150.11250	0.4
184.20601	1.1
192.98859	0.2
193.83275	0.2
202.21635	0.3
228.23238	43.4
272.25830	2.9
290.26901	100.0
291.27109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13179	2.9
53.23752	2.8
55.01859	3.0
56.96569	64.8
57.03437	2.9
57.90011	2.8
57.90301	2.9
61.02925	5.3
69.03435	16.4
69.04045	3.4
70.21284	12.5
70.21650	4.0
71.04994	4.4
73.02921	5.1
81.03440	3.7
84.96032	6.9
85.02895	22.4
85.07098	2.7
87.04460	3.9
91.05525	3.6
95.08587	3.7
97.02918	21.2
98.21466	3.2
98.97593	100.0
101.00912	7.1
110.97590	10.3
116.98634	33.0
119.01913	4.8
119.04942	5.2
123.04491	5.9
124.99147	28.3
127.03928	8.1
128.98576	4.7
129.05528	22.3
134.99651	5.1
137.06001	10.0
139.00706	3.5
139.03908	14.0
143.00186	44.5
143.01863	5.8
145.01656	4.7
145.04956	4.7
146.99677	4.0
147.01401	3.9
147.04442	12.6
152.98567	8.7
155.01918	4.3
158.99677	15.8
161.01224	17.1
161.02969	6.2
163.02696	4.8
167.00244	4.6
169.01750	4.4
170.99670	30.0
175.02669	4.5
177.00702	9.4
179.07079	4.2
185.01233	23.4
186.99121	5.8
187.02777	3.7
189.00790	21.8
189.02275	5.0
191.74843	3.9
195.05029	5.4
203.02357	12.1
205.00278	7.0
208.04936	7.4
208.55113	3.3
213.00696	17.9
217.05537	4.4
219.01761	8.8
223.04756	3.0
231.01729	23.8
237.02849	6.2
248.99152	4.7
249.02907	22.4
249.06117	3.2
267.00125	3.9
267.03937	13.8
273.02780	5.1
285.04935	6.5
291.03885	38.8
291.08353	46.8
291.11099	4.4
299.10165	3.3
303.01346	3.5
309.04935	35.7
309.08545	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	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93055	0.8
56.64983	1.0
56.96579	3.5
69.72798	5.1
75.47889	1.0
80.37229	1.0
85.02900	1.2
86.52305	0.9
98.21489	1.5
98.97598	2.5
101.00893	1.6
103.00629	1.0
110.36958	0.8
120.21619	0.9
121.01719	1.5
124.99116	2.2
127.03934	1.3
131.01854	1.1
139.03963	1.1
143.00227	2.6
161.01190	1.1
161.84341	0.9
170.99698	3.4
173.92993	1.0
175.02908	0.9
185.01331	1.2
189.00681	2.2
193.17943	1.0
231.01765	1.8
249.02922	2.6
256.06613	0.9
291.03915	3.4
291.10638	100.0
309.05176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.54729	0.3
54.31340	0.3
55.01882	1.4
56.02239	0.3
57.51403	0.3
65.03943	0.9
65.67473	0.4
65.87458	0.3
67.05511	1.3
68.99795	1.5
69.03450	0.5
69.68115	1.9
70.42115	0.3
76.09140	0.3
81.03390	0.3
83.04996	0.8
84.70314	0.3
85.02915	0.6
91.05499	1.2
93.02795	0.3
93.03420	1.0
95.04994	2.4
97.02898	0.5
98.97591	0.4
105.03403	0.4
107.04934	0.6
109.02864	0.4
111.04470	2.4
115.05454	0.9
117.07137	0.3
119.04950	4.9
123.04441	59.5
127.03925	1.3
131.04820	0.4
133.06511	0.8
135.04442	0.5
137.02353	1.2
137.05948	0.8
139.03917	100.0
139.69847	0.3
140.04236	0.4
143.04930	2.2
147.04427	18.9
151.03915	2.6
153.05495	0.6
159.04442	0.6
161.05997	6.5
163.03920	1.5
165.05495	15.1
165.06895	0.7
169.04973	1.9
177.05539	1.0
179.07089	2.7
181.04988	0.8
189.05498	2.2
207.06561	6.0
249.07564	1.7
273.07587	1.5
276.65497	0.4
291.08667	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03944	0.6
55.01870	1.5
65.03934	1.1
67.05498	1.5
68.99790	1.2
69.03419	0.4
70.69425	0.4
70.69747	0.6
77.03938	0.4
77.99171	0.3
78.80936	0.3
83.04979	1.2
85.02900	0.9
91.05484	1.4
93.03423	1.2
95.04983	2.5
97.02914	0.6
99.04470	0.4
107.04953	1.0
111.00814	0.4
111.04433	2.8
115.05462	1.5
119.04955	6.0
123.04436	62.9
127.03932	1.5
133.06468	0.6
135.04439	0.5
137.02385	0.4
137.05992	0.9
139.03911	100.0
139.26706	0.3
143.04945	2.7
147.04420	19.1
149.06010	0.4
151.03889	2.3
153.05463	0.9
161.05984	7.6
163.03969	2.0
165.05487	13.6
165.88519	0.3
169.04990	1.5
176.34151	0.3
177.05479	1.2
179.03438	0.4
179.07054	2.3
181.04883	0.8
189.05450	1.9
207.06535	5.2
249.07703	1.0
273.07553	1.6
288.20587	0.4
291.08636	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.42185	0.3
53.03951	0.3
54.72064	0.3
55.01868	1.4
55.05519	0.4
56.96570	0.5
65.03945	1.0
67.05509	1.7
68.99789	1.8
69.03441	0.7
69.07055	0.3
69.76296	1.8
75.92992	0.3
79.05520	0.3
83.04984	1.7
85.02915	1.0
91.05490	1.9
93.03393	1.1
95.04961	2.9
97.02897	0.7
98.97601	1.4
105.03397	0.7
105.07030	0.6
107.04945	0.6
107.08591	0.4
111.00794	0.3
111.04446	3.1
115.05458	0.9
116.98631	0.4
119.04947	5.2
123.04434	65.3
127.03948	1.1
131.04918	0.5
133.06494	0.8
135.04474	0.8
137.02367	1.0
137.05995	0.7
139.03906	100.0
140.04182	0.3
143.04918	2.5
147.04411	20.8
151.03938	2.4
153.05470	0.7
157.07651	0.4
158.99686	0.4
159.04381	0.4
161.05995	7.7
163.03957	1.6
165.05484	15.5
169.04953	1.3
177.05566	0.8
179.07050	3.1
181.04941	0.5
187.11581	0.5
189.05362	1.9
197.08292	0.3
199.12280	0.6
207.06537	5.8
218.91777	0.3
231.06462	0.5
249.07553	1.0
273.07657	1.8
273.12375	3.7
291.08624	7.5
291.13437	2.5
295.06161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
55.05515	0.4
56.96571	8.6
57.03446	1.1
58.99845	0.3
61.02935	1.5
67.05508	0.5
69.03437	3.0
69.30570	1.6
69.30990	0.8
70.06594	1.7
71.04990	0.9
72.08173	0.4
73.02924	1.1
81.03433	1.7
82.06593	0.5
82.99865	0.6
83.04960	0.4
84.04528	0.6
84.96049	2.1
84.99642	0.8
85.01426	0.6
85.02911	5.4
87.04466	0.5
97.02899	4.1
98.97597	8.7
99.01176	0.3
99.04478	0.6
101.00899	5.2
102.01001	0.6
103.00648	6.5
103.02480	1.1
109.02919	1.0
110.97588	0.8
111.03034	0.3
111.05579	1.6
112.99148	0.6
113.00878	2.2
114.10376	0.4
115.00665	1.2
115.02435	1.6
116.02518	0.4
116.07211	0.4
116.98637	3.1
117.02196	2.9
117.04027	0.6
117.77545	0.3
119.01934	6.1
120.02113	0.7
121.01684	10.5
121.03506	0.4
124.99113	3.3
126.12827	1.2
127.02451	0.9
127.03929	1.6
128.07115	0.6
128.98630	0.5
129.04016	1.5
129.06612	4.9
129.07463	0.4
131.00197	0.7
131.01921	4.5
131.03792	0.6
133.01683	1.5
133.03464	2.9
134.99730	0.7
135.03207	2.6
135.04985	0.5
137.00861	0.3
139.00754	0.5
139.02702	1.5
140.07137	0.4
141.02153	0.4
141.03975	0.3
143.00192	6.0
143.01883	2.7
144.98125	0.6
145.01624	2.8
145.03526	2.5
145.04982	0.8
146.99706	0.6
147.03221	0.8
147.05052	8.3
147.06195	0.5
149.04826	0.5
149.06636	0.3
152.98705	0.9
153.04056	0.8
153.05847	0.9
155.01901	2.5
156.02715	0.5
157.03511	2.1
158.99725	1.2
159.03278	1.2
159.05084	1.1
161.01280	3.2
161.03032	4.5
161.06667	0.4
162.03156	0.4
163.02673	5.5
163.06444	0.3
165.04332	0.5
165.06158	1.7
167.00240	0.4
167.01955	0.4
169.01877	0.5
170.99710	4.5
171.01326	0.7
171.05051	2.6
171.55652	1.2
172.05638	0.5
173.01292	1.2
173.03046	3.3
173.06702	0.9
175.02821	0.9
175.04585	1.5
175.12000	1.1
177.00793	1.1
177.04292	0.4
177.06107	0.4
179.02351	0.4
180.56166	0.9
181.06232	0.5
183.05006	1.8
184.04633	0.4
185.01289	1.9
185.03023	0.9
185.06691	1.1
185.17616	0.4
186.99208	0.8
187.00894	0.6
187.02785	0.7
187.04565	0.4
188.01059	0.4
189.00714	4.9
189.02434	0.6
189.04358	0.9
189.06078	6.4
189.07755	0.4
191.02351	1.0
191.04053	0.6
193.03879	0.9
195.05051	1.4
196.54832	0.3
198.06134	2.0
198.99182	0.7
199.06317	0.4
201.00806	1.3
201.06088	8.1
203.02336	1.2
203.04118	1.7
203.07649	1.9
205.00298	1.1
206.05811	0.3
207.01917	1.0
209.58302	0.7
210.07123	0.5
213.00922	1.0
213.06203	1.3
215.04150	0.4
215.07700	0.4
216.07370	0.5
217.00101	3.4
217.05626	0.5
219.01750	2.3
219.03662	0.3
219.07237	1.0
221.03297	0.7
221.05119	3.9
223.01324	1.1
223.04956	0.4
225.06151	3.0
229.05721	0.5
230.98277	1.1
231.01755	2.7
231.07161	1.7
233.08820	0.7
235.01251	0.7
237.02962	0.4
240.01257	0.4
240.07112	0.4
243.07338	0.4
245.05205	0.9
247.03148	0.5
247.06822	0.6
248.99306	3.0
249.02768	5.8
257.00943	0.6
261.01984	0.4
261.08340	0.9
267.00333	1.5
267.03671	1.5
273.02832	0.8
273.08380	1.9
273.11707	1.1
275.01913	0.7
277.03778	1.0
279.09500	0.4
285.00690	0.5
285.05054	0.5
291.04294	4.4
291.10556	100.0
292.11096	0.4
299.09827	0.4
303.01392	3.3
304.02002	0.5
309.04980	3.4
309.10535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1076
Annotation	Furaneol beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03957	0.5
55.01866	1.0
55.05515	1.0
55.69350	0.4
55.77876	0.4
56.96562	1.8
57.03440	5.8
61.02921	1.7
64.09583	0.4
67.05493	0.9
68.99786	0.5
69.03433	3.9
69.07079	0.5
70.64214	1.0
71.04989	0.5
73.02924	0.7
79.05509	0.7
81.03427	2.4
81.07071	0.6
83.04992	3.9
83.08630	0.6
85.02431	0.8
85.02912	11.0
85.06552	0.6
87.04478	1.1
87.52672	0.4
91.05494	1.0
93.03386	0.5
93.07060	1.1
95.04955	1.1
97.02888	3.8
98.61800	0.4
98.97596	3.7
98.98172	0.4
98.98495	0.7
99.04467	0.6
101.06033	7.6
101.49313	0.4
105.03322	0.6
105.07021	0.4
106.89493	0.4
107.08595	0.6
109.02884	1.0
109.10172	0.4
111.04471	3.2
111.08117	0.7
113.07150	0.4
116.98645	1.7
119.04233	0.4
119.04976	1.6
123.04436	18.9
127.03918	2.4
129.05489	100.0
131.00143	0.4
133.06488	0.4
134.99698	0.5
135.11694	0.6
137.02335	0.6
139.03911	27.3
143.00159	0.7
145.05011	0.9
147.04419	6.1
151.04004	0.6
151.07558	0.7
153.00754	0.5
158.99675	0.8
161.01262	0.6
161.06007	2.5
163.03911	0.8
165.05518	3.8
169.04984	0.5
177.00752	1.0
177.71451	0.5
179.07097	0.6
189.05606	0.7
201.00821	0.6
207.06575	1.9
223.04007	1.5
249.02782	0.6
273.12354	1.3
286.14948	0.5
290.58185	0.8
291.04605	1.8
291.08630	2.3
291.13211	4.3
291.19620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1263
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
52.19836	0.4
53.03947	1.1
55.01873	1.9
55.05511	11.7
56.96558	2.1
57.03437	1.0
57.07080	3.7
58.02877	0.5
59.05001	1.2
65.03934	1.1
67.05505	26.0
67.18295	0.6
67.72729	0.4
69.03072	1.0
69.03429	12.8
69.07070	20.1
70.49656	1.5
71.04993	1.4
71.08624	0.8
79.05489	5.9
81.03419	1.8
81.07058	25.7
82.48126	0.4
83.04488	0.8
83.04984	16.4
83.08614	4.6
84.96026	1.0
85.02901	6.6
85.06532	2.5
91.05479	6.9
93.07044	8.5
95.04969	3.9
95.08609	23.9
97.02888	2.5
97.06526	2.4
97.10172	1.8
98.97586	9.1
99.04468	0.7
99.08093	1.1
105.07037	7.3
107.04993	0.5
107.08591	14.0
109.02908	2.8
109.06524	12.0
109.10159	92.8
110.97549	0.8
111.04444	1.7
111.08089	6.0
111.11716	2.9
114.95670	0.4
115.47392	0.5
116.86536	0.6
116.98643	2.7
117.06990	0.9
119.04935	7.5
119.08582	14.7
121.06557	0.6
121.09309	1.0
121.10149	12.2
122.07313	0.5
123.03567	0.9
123.04436	15.3
123.05318	1.0
123.08071	21.4
123.11707	8.7
125.09642	2.0
127.03909	2.6
129.12794	1.2
131.08557	1.3
133.06511	0.8
133.10139	7.3
134.99544	0.7
135.08089	0.7
135.11693	33.9
137.09618	18.8
137.13268	1.4
138.10403	3.5
139.03906	24.8
139.11182	4.9
141.12738	1.5
143.00134	1.0
144.09229	0.6
145.10205	0.8
147.04414	35.4
147.11682	2.3
149.09586	0.6
149.13283	4.6
151.07558	0.6
151.11194	7.3
151.14821	9.3
151.16020	0.8
157.06544	0.7
157.10139	0.7
158.99646	1.7
159.08022	0.6
159.11649	0.7
161.01213	1.3
161.05994	2.1
161.13210	0.8
163.03862	0.7
163.11168	0.5
163.14810	0.8
165.05521	3.8
165.09032	0.9
165.16402	2.3
170.99670	1.0
173.09709	0.8
175.14839	9.0
177.00702	0.8
179.07037	0.7
189.05640	0.5
193.15884	100.0
199.07506	0.5
201.00691	1.4
207.06496	1.5
209.20897	0.5
219.01720	0.7
248.08272	0.5
249.02878	1.3
255.15894	0.8
267.03970	0.6
273.07593	0.6
273.25681	0.7
291.08740	4.9
291.12598	6.5
291.19876	2.7
291.23254	1.3
291.26505	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	291.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01860	1.4
55.05267	0.6
55.05514	8.5
56.96552	1.9
57.03440	0.9
57.07082	2.5
65.03938	1.4
67.05178	0.9
67.05508	13.7
68.99755	0.5
69.03433	11.9
69.07074	10.1
69.15181	3.5
69.15586	1.6
71.04985	1.3
71.08631	1.3
75.08274	0.5
77.03848	0.5
79.05499	4.4
81.03423	2.5
81.03821	0.5
81.06584	0.9
81.07059	17.7
83.04990	3.1
83.08635	4.0
85.02916	2.8
85.06544	2.2
91.05480	12.1
93.07051	10.2
93.59208	0.4
95.04977	2.8
95.08611	23.1
97.02888	2.9
97.06534	3.4
97.10167	1.9
98.97595	7.6
99.04446	0.8
103.05447	0.6
105.07037	5.6
107.04956	1.2
107.08601	15.3
109.02885	3.7
109.06535	4.1
109.10162	37.6
110.97539	0.9
111.04449	1.4
111.08090	25.3
111.11730	1.5
116.98608	2.2
117.07016	1.1
119.04948	26.4
119.08592	12.3
119.09446	0.7
121.02843	0.9
121.10155	11.6
123.04433	9.6
123.07195	1.1
123.08076	21.2
123.08968	1.2
123.11719	7.5
125.09627	2.2
127.03952	4.3
129.12750	0.8
131.04950	0.6
131.08542	1.7
133.10143	8.6
134.99754	0.7
135.08023	0.9
135.11699	12.4
137.06012	0.8
137.09622	42.3
137.13202	3.0
138.10400	14.6
139.03915	14.8
139.04761	0.3
139.05022	0.5
139.11156	1.9
143.00169	1.1
143.08641	0.6
145.02899	0.6
145.06514	0.8
145.10141	1.3
147.04414	100.0
147.11722	3.5
149.09613	0.8
149.13263	11.8
151.07509	0.6
151.11192	2.2
151.14821	3.7
157.06517	0.8
157.10159	0.7
157.60030	0.5
158.99677	1.2
159.11742	1.2
160.05064	1.7
161.01234	1.3
161.05902	1.0
161.13312	1.0
163.11191	0.8
163.14824	1.9
165.05495	2.8
165.09119	1.5
165.12759	9.0
165.16400	1.3
169.06483	0.6
170.99736	0.6
171.11668	0.6
173.06020	1.1
175.03935	0.8
175.14835	13.2
177.00705	0.5
177.05592	1.0
177.16420	1.2
179.07062	0.5
182.99539	0.6
185.05830	0.9
187.07520	0.6
189.00771	1.0
193.15894	48.7
201.00711	1.3
201.05446	0.7
203.07076	0.9
207.06526	1.1
215.07011	0.6
217.56656	0.5
219.01784	0.8
231.06537	2.0
249.02809	1.6
259.12711	1.8
273.07501	0.7
273.18713	0.9
291.03790	0.6
291.08728	8.7
291.12601	13.4
291.15540	2.3
291.19827	2.6
291.23193	1.7
291.26663	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03930	1.9
55.01870	1.8
55.05513	8.2
55.33941	1.0
56.96552	2.2
57.03432	1.5
57.07063	3.1
58.61436	0.9
59.04987	2.3
67.05508	12.7
69.03427	2.3
69.07063	6.1
71.04983	3.1
71.54910	1.3
73.02919	1.2
79.05495	12.8
81.03404	4.1
81.06649	1.5
81.07062	17.8
83.04977	4.2
83.08614	4.6
85.02911	2.7
85.06525	2.4
91.05483	12.8
93.07047	21.7
95.04968	6.8
95.08059	1.5
95.08609	18.7
97.02884	1.5
97.06496	2.6
97.10136	2.8
98.97577	3.7
98.98467	1.4
99.08083	1.4
101.14745	1.2
105.03407	1.6
105.07040	15.3
107.04919	3.0
107.08598	10.6
109.02919	1.1
109.06503	5.4
109.10170	4.7
111.04432	1.3
111.08085	38.5
115.05434	1.6
116.98601	1.6
117.07018	7.2
119.04956	1.8
119.08579	12.0
121.06496	5.4
121.10151	8.0
122.07280	1.5
123.04436	16.0
123.08065	25.6
123.11671	2.1
125.09641	1.5
127.03909	1.5
128.06210	1.4
129.07007	2.3
130.07732	1.4
131.08580	11.9
133.06520	4.6
133.10156	7.6
135.08067	6.5
135.11688	6.7
137.09612	1.4
139.03905	25.2
142.07805	1.3
143.08571	7.5
145.10103	10.7
147.04384	6.2
147.08026	4.7
147.11685	4.5
149.09683	5.0
149.13272	2.3
151.07550	100.0
155.08501	1.4
157.10110	3.5
159.08105	1.7
159.11652	2.9
161.05977	2.8
161.09605	4.3
161.13153	1.1
163.11191	3.7
163.14891	1.5
165.05457	3.4
171.11682	3.8
173.09596	2.0
173.13254	2.9
174.10457	1.9
175.11147	3.1
175.14726	1.2
175.32025	1.0
177.09183	1.6
179.10686	3.5
181.12248	2.1
185.13248	1.7
189.00641	1.1
189.11111	1.9
189.12744	25.8
191.10651	1.0
191.14316	1.4
192.11438	3.5
193.12190	1.6
195.11639	1.2
197.11725	16.4
197.13385	2.1
207.06419	1.3
207.13814	67.6
213.16383	1.8
217.12259	2.7
225.14734	0.9
231.17496	1.7
233.15399	2.2
235.13315	2.1
237.16389	1.1
249.14778	1.7
255.17455	3.4
273.18518	13.6
291.08414	1.3
291.19547	67.9
291.26938	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03929	0.9
54.95487	0.7
55.01882	1.1
55.05508	5.1
57.03423	1.2
57.07078	4.2
58.12769	0.8
59.04999	3.1
67.05500	5.0
69.03428	2.4
69.07068	2.2
70.06593	1.4
71.04987	3.0
71.05396	1.7
79.05492	5.9
81.07047	6.2
83.04971	1.9
83.08611	4.2
85.02917	1.7
85.06555	2.9
88.07621	1.8
89.33447	0.7
91.05476	6.2
93.07050	10.6
95.04990	5.7
95.08612	13.5
97.02820	0.9
97.06541	2.6
102.09188	0.9
103.87621	0.8
105.07034	11.8
107.04958	6.3
107.08606	7.7
108.05750	0.9
109.06522	6.9
109.10152	3.4
111.04437	0.9
111.08088	28.1
113.06066	0.9
113.09676	1.3
117.07017	2.3
119.08585	9.8
121.06516	1.8
121.10146	5.9
122.07273	2.6
123.04434	6.0
123.08074	33.4
123.11688	0.8
125.09653	1.7
130.07817	0.8
131.08566	5.4
133.06494	2.0
133.10139	8.5
135.08058	7.3
135.11714	3.4
137.09650	4.2
139.03909	9.4
141.05473	1.0
141.06932	1.0
142.07802	1.1
143.08568	2.3
144.09360	1.0
145.10130	14.1
147.04402	1.9
147.08057	4.8
147.11723	6.9
149.09628	5.3
151.07553	100.0
153.09050	0.9
155.08600	1.0
155.10683	2.0
156.09334	2.0
157.10191	4.9
158.10931	1.3
159.08087	2.1
159.11668	4.9
161.09625	4.7
161.13266	2.5
163.11151	3.5
165.05460	1.6
165.09134	1.0
167.08540	0.9
169.10089	1.6
169.12297	1.3
171.11705	4.1
173.09663	1.7
173.13226	5.3
174.10403	1.8
175.11194	5.1
177.09120	1.5
177.12793	2.0
179.10651	5.8
181.12163	0.8
182.10924	0.9
185.13245	1.1
187.11183	5.6
187.14833	1.3
189.12753	31.7
191.10722	1.2
191.14348	6.6
192.11447	4.5
197.11710	15.8
197.13271	2.6
203.14334	2.3
205.12067	0.8
205.15842	0.9
207.13812	72.2
211.13034	0.8
213.16386	2.5
215.14272	6.8
217.12291	2.9
228.23116	0.7
229.23537	3.6
231.17448	3.2
233.15372	22.6
235.13228	1.8
245.18956	0.8
249.18500	1.5
255.17517	3.5
273.18506	11.2
291.19553	57.3
291.27148	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	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03946	1.5
55.01874	1.8
55.05517	7.7
56.96580	1.1
57.03452	1.2
57.07087	2.9
59.05011	3.3
62.65875	0.6
67.03085	0.5
67.05515	6.0
68.63677	0.6
69.03432	3.7
69.07070	2.3
71.01369	0.8
71.05001	3.6
71.53424	0.7
73.02895	0.9
73.06530	0.5
79.05498	9.2
81.03419	1.5
81.07066	9.7
83.04985	2.6
83.08627	8.5
85.02912	2.6
85.06547	1.9
87.04450	0.7
88.07630	0.6
91.05493	6.0
93.07050	11.0
95.04987	5.3
95.08618	16.5
97.02906	0.7
97.06541	4.7
97.10202	0.8
98.97597	2.1
101.95274	0.6
103.05488	0.8
105.07041	10.9
107.04964	15.2
107.08606	9.4
108.05716	0.8
109.06537	8.3
109.10191	3.5
110.97561	0.7
111.04494	1.1
111.08092	38.5
113.05976	0.8
113.09660	2.5
116.98606	1.2
117.07024	2.0
119.04964	1.5
119.08588	9.5
121.06536	2.5
121.10152	9.4
122.07284	1.9
123.04443	10.5
123.08083	34.0
123.11665	1.1
125.06016	1.0
125.09610	3.4
127.03948	1.3
128.06241	0.7
129.07021	1.4
131.08577	6.0
133.06491	3.4
133.10139	8.9
135.08084	5.3
135.11681	3.6
137.05963	1.0
137.09589	3.1
139.03914	17.8
139.11142	1.0
141.05510	0.8
141.06921	0.6
142.07806	1.5
143.00206	0.6
143.08585	2.3
145.06496	0.7
145.10138	6.0
146.07236	0.6
147.04428	5.2
147.08080	3.1
147.11714	6.2
149.09618	5.6
149.13290	1.0
151.07555	100.0
153.09109	1.1
155.08597	0.8
155.10675	2.7
156.09355	1.7
157.10147	4.7
159.08032	2.0
159.11696	1.4
160.08946	0.7
161.05992	1.5
161.09677	2.9
161.13254	1.4
163.11159	3.6
165.05493	2.9
165.09140	1.6
167.10741	1.0
169.10176	0.8
169.12242	1.0
171.11682	3.8
173.09703	1.7
173.13292	6.8
174.10370	1.3
175.11186	5.5
177.09125	1.8
179.10687	4.2
181.12259	2.1
185.13318	0.6
185.47452	0.6
187.11230	0.7
187.14864	1.0
189.12761	26.4
190.13438	0.8
191.10759	1.3
191.14328	16.0
192.11534	4.6
197.11739	14.8
197.13316	2.3
205.12343	0.7
207.06500	1.4
207.13821	67.3
211.13312	2.0
213.16335	1.7
215.14389	3.9
217.12242	3.2
231.17476	2.3
233.15387	45.9
235.13254	1.6
249.02760	0.7
249.18544	2.5
255.17450	2.8
263.88770	0.6
273.18555	8.1
291.08823	1.7
291.19565	71.7
291.26935	2.1
310.83838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	1.8
55.01868	2.1
55.05510	10.8
56.96555	2.8
57.07075	7.1
59.04986	1.4
65.03939	1.8
67.05504	16.4
68.99760	1.1
69.03432	3.1
69.07071	24.4
71.04991	2.7
71.08624	2.6
77.39237	0.8
78.89817	0.8
79.05492	14.6
81.03410	3.5
81.07056	35.2
83.04978	4.3
83.08616	9.4
84.99741	0.8
85.02901	2.0
85.06551	2.1
91.05484	11.9
93.07045	34.0
93.07635	1.8
95.04978	6.2
95.08604	35.1
97.06528	4.3
97.10191	5.7
98.97590	7.9
101.05972	0.9
105.07031	17.5
107.04937	2.9
107.08604	23.6
109.02856	1.6
109.06515	15.7
109.09468	1.6
109.10156	21.0
110.97569	0.9
111.04440	2.5
111.08095	2.6
111.11715	5.3
115.05444	1.4
116.98618	3.4
117.07028	2.4
119.04940	3.6
119.08578	12.4
121.06554	1.7
121.10146	42.5
123.04431	30.1
123.08073	4.5
123.11730	11.7
125.09619	4.4
128.98633	1.1
129.06970	1.6
131.08572	3.5
133.06540	2.2
133.10118	7.3
135.08057	6.4
135.11674	9.8
137.09601	3.8
137.13202	5.2
139.03897	44.2
139.11189	3.7
142.07791	1.2
143.04933	1.2
143.08524	2.8
145.10130	4.5
147.04396	15.0
147.08047	1.7
147.11711	7.6
149.09616	10.1
149.13240	9.1
151.07536	4.3
151.14827	1.7
157.10146	3.1
158.99644	1.6
159.08022	1.7
159.11693	2.3
161.01315	0.9
161.05988	3.1
161.09608	2.0
161.13278	4.6
163.03862	1.0
163.11209	0.9
163.14815	5.8
165.05496	5.9
165.12749	1.6
165.16446	1.0
167.10678	100.0
169.10100	1.4
171.11667	2.5
173.01181	0.9
173.09590	1.6
173.13264	4.9
175.11201	3.0
175.14871	2.1
177.00766	1.4
177.16446	3.0
179.07103	1.4
185.13437	0.9
187.11125	0.9
189.05470	2.1
189.12701	2.6
189.16333	1.8
191.10710	2.2
191.14316	4.3
191.18018	1.4
199.11151	1.2
201.00635	1.1
203.17987	2.2
207.06505	3.7
207.13786	1.3
213.16405	2.2
215.14380	2.9
217.12123	1.2
217.19469	2.5
229.15892	0.9
231.13875	1.2
233.15364	11.1
235.20677	1.0
255.17429	2.5
273.18588	8.2
273.21445	1.5
273.22897	1.4
273.25723	9.9
291.08731	3.6
291.12756	1.0
291.15912	2.8
291.19568	12.9
291.23163	3.7
291.26740	25.6
297.03003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73031	1.9
56.13149	1.8
69.46806	2.0
70.30331	4.7
70.30727	4.5
84.19318	1.7
92.30265	2.0
101.00902	2.7
119.01824	2.1
143.01932	12.0
155.01933	2.1
161.02979	8.2
173.02966	4.6
203.03961	2.8
233.05040	2.5
263.06210	2.3
293.06305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	2.6
54.57803	1.0
55.01872	8.9
55.05268	1.7
55.05518	26.3
56.96565	3.0
57.03434	1.5
57.07076	1.7
59.04993	1.6
65.03937	2.6
67.05504	21.7
69.03434	3.5
69.07072	11.2
71.05008	1.9
71.52691	1.2
73.02935	1.4
79.05495	40.8
81.03425	3.4
81.07066	23.9
83.04980	4.1
83.08614	14.5
85.06538	1.7
91.05488	24.8
92.55059	1.2
93.07044	19.1
95.04991	3.4
95.08605	15.4
97.02959	1.4
97.06519	10.0
97.09556	1.6
97.10168	21.8
98.97617	3.4
103.05480	1.5
105.04489	1.4
105.07039	30.8
107.04970	6.0
107.08599	100.0
109.06523	4.5
109.10168	8.5
111.08093	1.7
117.07037	4.6
119.06097	1.7
119.08595	13.0
121.06564	2.3
121.10165	7.4
123.08079	2.6
123.11726	2.5
125.09622	18.8
129.07063	2.6
131.08575	7.4
133.10135	18.3
135.08078	3.8
135.11713	6.4
137.09663	1.8
143.08543	1.6
145.10139	10.9
147.08093	1.0
147.11688	11.2
149.09642	14.3
149.13245	2.3
151.11171	2.2
153.09256	1.2
157.10110	2.6
159.11725	5.9
161.13277	3.6
163.11159	2.7
165.09114	2.0
171.10294	1.9
171.11711	2.2
173.13301	3.5
175.11084	1.2
177.12698	1.1
181.09941	1.3
181.12233	2.9
183.59109	1.2
187.11226	1.9
189.11224	18.0
189.12746	2.2
197.13310	1.9
229.15924	1.5
229.19595	2.9
233.18860	1.3
239.18002	4.4
247.20613	2.0
257.16400	1.5
257.18967	9.9
275.20074	80.5
282.94189	1.1
292.64508	9.9
293.20999	8.6
293.27853	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	3.7
55.01873	9.9
55.05518	20.2
56.96568	4.6
57.03434	4.5
57.07063	4.9
59.04980	1.9
65.03949	3.1
67.05511	44.8
69.03417	2.7
69.07076	23.4
71.04993	5.7
79.05502	43.5
81.03412	5.3
81.07063	100.0
83.04986	5.1
83.08627	11.8
85.06542	4.7
91.05490	30.9
93.07052	28.9
95.04980	15.6
95.08618	33.3
97.06546	9.2
97.10173	6.7
98.97580	1.8
99.08109	2.6
105.07040	37.7
107.04964	9.9
107.08611	28.9
109.06522	23.8
109.10159	18.6
111.08076	6.6
116.98688	2.0
117.07056	11.7
119.07807	2.6
119.08601	32.8
121.06503	5.0
121.10158	18.7
123.04425	2.1
123.08089	12.7
123.11736	9.2
124.04734	2.5
125.09631	3.6
128.72093	1.6
129.06995	3.8
129.36885	2.0
131.08574	15.1
133.06470	2.4
133.10155	28.5
133.51105	1.7
135.08112	8.8
135.08983	1.6
135.11707	9.4
137.05992	19.2
137.09607	10.8
143.08569	3.0
145.10150	14.3
147.08125	2.3
147.11714	19.4
149.09639	10.8
149.13269	6.4
151.11198	4.5
155.08586	2.6
157.10173	6.3
159.11713	11.4
161.09653	2.5
161.13223	4.9
163.11201	9.5
165.12750	5.2
171.11684	3.0
173.09714	2.1
173.13258	5.2
175.11221	5.0
177.12640	2.5
179.10692	1.9
183.11653	3.1
187.11191	2.6
187.14850	1.6
191.14218	1.8
193.12189	2.4
201.12764	2.5
201.16492	2.0
215.18008	3.0
219.17566	1.6
223.13193	2.9
229.19556	4.4
233.19072	2.3
237.11237	5.0
239.17979	5.0
247.20667	5.1
257.19043	10.2
275.20084	87.4
291.35754	1.8
293.17798	3.2
293.21146	47.6
300.52521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.9
55.01857	7.3
55.05512	23.9
56.20570	2.0
56.96557	4.2
57.03419	4.3
57.07064	7.1
59.32028	1.6
63.67448	1.7
67.05506	53.9
69.03433	3.9
69.06728	2.1
69.07069	27.3
69.49052	13.3
71.04990	7.8
79.05495	41.0
80.69999	1.7
81.03410	5.3
81.07058	100.0
82.57529	1.8
83.04992	10.7
83.08617	15.4
91.05483	40.7
93.07041	32.3
95.04987	15.3
95.08598	38.4
97.02896	2.0
97.06521	7.9
97.10165	4.8
98.97591	2.1
98.98466	2.2
105.07029	43.3
107.04926	5.3
107.08596	32.6
109.06521	23.5
109.10159	29.1
110.26232	1.6
111.04407	2.1
111.08052	6.0
111.96442	1.7
113.05930	2.1
115.05370	2.2
115.07616	2.8
117.07005	7.7
119.08592	38.1
121.06505	4.9
121.10157	15.0
123.08068	9.1
123.11694	9.2
125.09612	4.4
129.06995	3.1
131.08557	13.5
133.06494	2.5
133.10135	36.9
135.08046	12.0
135.11691	9.7
137.09601	13.4
137.13359	1.9
137.86488	2.5
141.01067	3.4
141.06981	2.2
143.08577	3.1
145.10103	13.6
147.11696	19.9
149.02362	2.4
149.09590	11.9
149.13220	3.3
151.11171	9.7
155.08578	2.5
157.10135	4.2
159.11685	11.2
161.09590	3.2
161.13264	3.8
163.11179	7.5
165.08963	1.7
165.12791	4.0
169.10144	2.0
171.11697	5.1
173.13307	3.7
175.11194	2.7
177.12793	3.6
183.11641	5.8
185.13284	2.8
187.11125	2.0
193.12337	3.4
197.07297	7.9
197.13104	2.4
201.12717	2.0
229.19463	4.6
233.15431	2.0
237.11174	4.2
239.17963	4.3
242.90309	1.7
247.20576	6.9
257.19037	11.2
270.12616	3.6
275.20081	81.0
293.17810	2.8
293.21021	42.4
294.09967	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03948	29.5
55.01862	16.3
55.05511	26.7
56.02507	3.6
56.96558	3.7
57.07072	5.2
65.03928	4.6
67.05177	5.6
67.05506	66.5
69.03422	4.6
69.06724	4.0
69.07068	48.9
69.56415	10.1
69.56827	11.4
79.05502	41.1
81.03422	55.0
81.07059	84.6
82.40245	3.1
83.04955	15.6
83.08614	11.3
91.05482	69.0
92.57349	2.7
93.07051	55.4
95.01317	13.1
95.04981	21.0
95.08607	51.7
97.06528	25.9
97.10151	4.5
98.97549	3.5
105.07037	100.0
107.04960	32.2
107.08603	21.1
109.06474	5.3
109.10146	12.2
111.04440	4.9
111.08106	4.9
117.07021	20.0
119.08590	49.9
121.06515	8.8
121.10120	14.4
123.04436	3.8
123.08101	17.1
125.09640	4.4
131.08588	24.6
133.06480	5.1
133.10127	62.8
135.08029	8.4
135.11671	13.9
137.09624	4.4
141.07047	4.7
143.08577	4.6
145.06454	10.9
145.10127	23.8
147.11668	23.2
149.09618	7.0
149.13301	5.2
151.11211	3.5
155.08463	3.3
157.10159	3.7
159.11684	22.7
161.13235	7.9
163.11180	5.5
165.09039	5.0
169.10124	6.5
171.11761	4.0
173.13278	3.9
177.12711	7.9
179.14304	18.1
181.04945	4.1
187.11142	9.7
195.13837	5.9
197.13191	5.3
205.12311	3.2
209.11676	6.7
223.13292	5.1
237.11224	10.7
247.20633	4.1
257.19000	10.4
275.20071	99.0
293.20947	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	6.0
55.01876	20.5
55.05520	63.9
57.03432	4.2
57.07063	7.5
59.04983	3.2
65.03927	2.6
67.05173	3.1
67.05508	42.1
69.03426	3.8
69.07072	16.8
69.61665	9.5
69.62069	4.6
71.05001	5.3
79.05502	90.4
81.03423	5.7
81.07062	40.0
83.04984	19.6
83.08630	20.1
87.21056	2.3
91.05492	36.3
93.07059	44.5
94.32444	2.2
95.04984	11.5
95.08620	19.7
97.06549	30.7
97.10166	22.2
98.97593	2.3
102.10442	2.6
105.07050	34.6
107.04296	3.6
107.04972	43.0
107.05647	4.9
107.08607	65.7
109.02875	2.2
109.06458	4.2
109.10168	21.1
111.04451	4.9
111.08089	4.3
117.07013	9.2
118.82915	2.1
119.08584	23.8
121.06458	4.0
121.10135	22.7
123.08074	2.9
123.11699	7.6
125.09650	30.7
129.07024	2.6
131.08556	12.2
133.10159	23.0
135.08081	7.6
135.11670	6.5
137.09618	3.0
143.08640	2.4
145.10083	10.4
147.11703	11.7
149.09642	81.5
149.13237	5.0
151.11153	2.4
153.09088	4.2
159.11714	12.4
161.13304	6.6
163.11139	5.8
163.14815	3.3
165.09175	2.5
167.10696	2.9
169.12279	4.9
171.10257	3.1
171.11699	3.1
173.11685	5.2
173.13208	5.3
179.14253	4.1
183.11787	3.4
187.11131	5.2
187.13281	4.5
189.11197	19.2
191.10585	3.0
191.14268	2.9
201.32759	2.3
209.11794	5.6
209.15300	6.0
215.18054	2.7
229.19492	8.7
237.11259	15.4
247.20592	6.4
253.02872	2.6
257.19073	17.7
275.20081	100.0
293.18274	2.4
293.20969	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	4.8
55.01871	11.0
55.05512	27.6
56.96560	1.9
57.03426	5.9
57.07064	4.7
59.04982	1.5
65.03944	2.3
67.05508	51.4
69.03423	5.5
69.07066	32.1
69.19431	3.3
69.19844	11.3
71.04984	2.5
71.08607	1.9
79.05495	45.7
81.03423	8.6
81.07059	84.3
83.04980	8.8
83.08617	16.4
85.02910	2.3
85.06523	5.5
87.04465	1.9
91.05477	29.7
93.07048	35.1
95.04978	11.0
95.08607	48.7
95.14911	1.2
97.02870	2.9
97.06535	13.9
97.10162	12.9
98.97581	4.6
99.04446	1.9
99.08089	3.2
101.06001	2.3
101.80521	1.7
103.05467	20.3
105.07030	37.3
107.04968	8.6
107.08592	48.1
109.02868	1.8
109.06516	16.6
109.10159	30.6
111.08060	5.0
111.11749	3.2
116.98618	2.7
117.07021	9.5
119.07793	2.3
119.08576	26.4
121.06487	6.0
121.10155	22.6
123.04436	1.9
123.08069	10.2
123.11716	13.2
125.09625	9.7
127.11166	1.7
129.06982	2.8
131.04939	68.5
131.08589	13.8
133.06458	1.6
133.10126	22.6
135.08038	6.3
135.11723	9.6
137.09639	8.0
137.13232	4.9
139.03799	2.4
139.11171	2.6
143.08562	3.4
145.10117	14.2
147.04446	2.7
147.08090	2.4
147.11688	18.0
149.09615	14.8
149.13213	7.1
151.07559	3.3
151.11160	5.8
151.14784	3.0
155.08549	2.6
157.10074	3.8
159.07950	1.4
159.11685	12.1
161.09621	2.9
161.13264	6.7
163.11171	11.4
163.14793	3.1
165.09134	5.0
165.12740	4.7
169.10185	3.5
171.11687	3.5
173.09583	2.4
173.13258	6.7
175.11128	3.0
177.12715	4.7
179.10616	1.6
179.14291	3.0
181.12175	1.5
183.11671	4.3
187.11168	3.0
187.14713	2.1
189.11230	5.2
189.12784	2.2
191.14177	2.2
197.13313	3.8
201.12669	2.5
201.16368	1.8
205.12192	1.9
215.17947	1.6
219.01656	1.6
219.17563	1.6
223.13275	2.0
229.19519	6.2
239.17989	7.1
247.20529	6.9
257.19031	13.9
273.11731	9.4
275.20068	100.0
293.13922	2.6
293.17838	2.4
293.21133	32.9
293.28119	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	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03944	5.9
55.01863	8.4
55.02112	2.0
55.05263	2.9
55.05509	31.8
56.06642	1.9
56.96552	7.0
57.03438	14.5
57.07063	7.5
59.04988	4.7
65.03955	2.8
67.05173	3.1
67.05509	50.6
69.03428	25.6
69.07072	46.2
69.44473	13.6
71.04999	13.3
72.42960	1.8
79.05495	40.0
81.03407	7.4
81.07063	100.0
83.04984	22.1
83.08613	19.2
84.96017	2.8
85.02917	10.7
85.06544	19.6
85.94214	2.1
88.03312	1.9
91.05484	30.5
93.06475	4.3
93.07043	66.0
95.04969	17.0
95.08607	87.1
96.08913	3.1
97.02886	7.4
97.06528	16.3
97.10186	11.0
98.97597	32.2
99.08084	8.2
101.06010	10.4
103.05479	12.0
105.07031	57.1
107.04945	10.2
107.07869	3.4
107.08601	55.2
109.02869	7.2
109.06522	19.7
109.10165	79.9
110.97538	3.6
111.04436	4.1
111.08070	18.7
111.11716	3.4
112.99132	3.6
113.09640	6.1
115.03976	2.2
116.98621	10.3
117.07027	11.0
119.04901	3.0
119.08591	56.6
121.06540	14.6
121.10153	53.7
122.07269	4.4
123.04408	4.9
123.08094	15.4
123.11711	32.0
124.04742	2.2
124.99121	3.6
125.09644	11.5
127.03903	2.3
127.07542	8.2
128.06203	2.1
128.98596	4.8
129.06976	2.9
129.09166	4.7
131.00186	2.3
131.04933	37.8
131.08598	17.1
131.83566	2.0
133.06473	3.4
133.10139	66.2
135.08046	18.9
135.11713	22.9
137.05974	4.2
137.09625	57.1
137.13240	6.7
139.03944	3.5
139.11185	10.8
141.04402	2.5
141.07010	3.4
143.00139	4.9
143.08568	6.2
144.09305	3.4
145.10158	23.7
147.04390	11.6
147.08078	6.0
147.11681	27.1
149.05965	2.5
149.09627	27.5
149.13255	10.7
151.03906	2.1
151.07527	7.4
151.11192	23.5
153.12746	2.3
155.10687	22.7
157.10136	6.1
158.99648	11.2
159.08055	2.8
159.11681	16.5
161.01231	4.9
161.09639	12.9
161.13251	9.4
163.11206	11.4
163.14824	3.3
165.09167	2.0
165.12753	5.4
170.99588	2.3
171.11726	5.3
173.01199	2.7
173.09677	4.1
173.13271	23.0
175.11229	6.1
175.14836	36.1
176.15147	4.4
177.00706	5.6
177.12691	6.9
177.16396	2.8
181.10066	2.3
183.11714	3.4
185.03807	2.4
185.13309	3.2
187.11241	3.2
187.14804	9.7
189.00742	4.4
189.16396	3.8
191.14304	8.9
193.15909	3.3
195.10081	2.2
199.14867	7.0
201.00688	6.8
201.12755	11.5
201.16463	3.1
203.14290	6.9
205.12379	2.3
205.15891	8.4
209.13196	2.4
213.16393	2.2
215.09315	6.0
215.17926	5.9
217.15930	7.6
219.01730	5.8
219.13763	4.1
219.17419	3.9
226.60193	2.2
229.19456	3.6
231.01744	2.7
233.15173	3.0
233.18980	3.7
237.14737	4.1
239.17967	3.2
241.11099	2.2
247.20622	4.8
249.02843	6.6
257.15216	2.6
257.19070	15.6
263.10785	2.3
272.10910	81.0
272.61087	29.7
273.11630	10.1
275.16611	5.9
275.20071	54.7
275.23560	6.2
281.11316	5.7
291.03827	11.8
292.62292	15.6
293.08130	4.8
293.11865	4.5
293.17795	4.3
293.21100	57.6
293.24722	20.1
293.28348	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	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
55.01856	1.1
55.05264	2.0
55.05513	18.2
56.96574	7.4
57.03435	2.5
57.07075	12.7
59.05002	1.5
60.35447	1.2
63.33597	1.3
67.05508	28.5
69.03444	2.9
69.07072	43.2
69.29547	3.1
69.29963	7.2
71.04995	2.2
71.08627	5.0
71.95296	1.3
73.64658	1.2
79.05493	14.0
81.03422	3.1
81.07059	100.0
82.42790	1.2
83.05016	1.4
83.08626	18.2
85.02916	2.1
85.06546	10.6
85.10148	1.2
91.05476	7.2
93.07044	18.1
95.04984	2.8
95.08611	84.5
97.02888	1.6
97.06536	2.8
97.10185	10.9
98.97585	24.7
99.08105	5.1
101.06058	1.7
103.05482	8.4
105.07038	6.2
107.05018	1.0
107.08601	17.1
109.02900	1.8
109.06554	3.1
109.10159	50.2
110.10492	1.4
111.08089	3.2
111.11727	7.1
113.09692	1.7
116.98617	16.0
119.04959	1.3
119.08583	4.8
121.06507	2.5
121.10158	10.5
123.08044	1.3
123.11717	24.1
125.13267	3.4
127.11168	1.8
131.00317	1.4
131.04938	29.7
131.08585	2.3
133.10155	2.7
134.98674	1.4
134.99664	7.7
135.08130	1.2
135.11696	6.3
137.13260	15.6
139.03923	1.8
139.11154	2.7
140.00240	1.6
145.10121	3.0
146.74001	1.1
147.04414	3.1
147.11702	2.8
148.80821	1.2
149.05917	1.7
149.13266	11.8
151.07562	1.4
151.11259	1.4
151.14827	13.1
159.11652	2.8
161.01239	1.3
163.03929	1.8
163.14844	5.6
165.16412	5.1
167.10750	1.6
167.14319	3.2
177.00731	1.3
177.12990	1.1
177.16444	2.8
179.18019	2.1
185.03960	1.2
189.16394	1.3
191.17839	1.5
205.19554	1.4
219.21098	2.4
223.20555	1.5
237.22090	1.2
265.47574	1.2
275.16971	2.6
275.20123	6.4
275.27304	4.1
293.03192	11.2
293.13879	1.2
293.17303	4.8
293.21182	5.5
293.28360	26.5
311.04330	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	294.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01871	1.6
56.96563	3.1
57.03447	4.9
57.05783	0.6
61.02929	5.1
67.05486	0.6
69.03430	12.7
69.07065	9.5
69.65641	3.6
71.04983	2.3
72.63646	0.6
73.02925	6.8
81.03410	5.1
82.99846	0.7
83.04979	0.6
84.96013	0.6
85.02908	22.4
85.06547	1.4
86.09708	100.0
87.03215	0.7
87.04459	2.2
87.61404	0.5
91.03973	1.2
97.02894	13.5
98.03195	0.7
98.97589	11.4
99.04458	4.1
100.46410	0.6
101.00867	4.2
102.04264	1.4
103.86713	0.6
108.01525	0.6
109.02894	5.4
110.01287	1.4
110.97574	5.2
112.99150	0.6
113.00882	1.5
113.95084	0.9
116.98625	2.5
119.01862	5.7
120.02061	0.7
122.01295	0.6
124.99150	0.6
127.02512	0.7
127.03922	11.1
128.02362	1.8
128.98645	3.3
129.45924	0.6
131.01907	2.5
131.96130	3.1
132.07108	4.5
132.10216	6.5
133.03484	0.9
133.54166	0.6
137.01865	0.9
140.02354	0.7
140.98550	0.7
143.00153	0.9
143.01889	3.0
143.05557	1.1
143.96130	1.0
145.03471	2.0
145.04951	5.0
146.02339	1.3
146.99670	0.7
149.97214	0.8
153.05786	4.5
153.07658	1.0
155.01904	1.4
157.03494	0.8
158.99670	2.9
161.02977	2.2
161.06602	4.0
162.03096	0.7
162.06419	1.7
167.01947	0.8
170.99699	3.7
171.01041	0.6
173.02934	2.9
173.04527	1.5
173.97192	3.6
175.04602	0.6
177.00818	0.9
182.03407	4.5
182.99638	0.6
185.03001	2.0
185.06593	0.7
185.97267	1.1
186.21913	0.7
189.00755	2.5
190.01166	0.8
191.03894	8.1
191.98328	1.7
195.02397	0.6
200.04416	5.0
201.00684	1.2
202.01050	2.9
202.51270	0.8
203.04019	1.1
203.07683	2.0
203.98239	1.3
204.02776	3.4
209.01636	0.6
209.04979	1.0
211.01474	1.4
212.12903	1.6
213.03424	7.0
213.09743	4.4
213.59795	0.7
215.01964	0.8
215.07700	2.9
219.01810	1.9
221.05119	1.1
222.03966	2.3
223.01654	2.0
229.01874	0.7
230.13844	3.7
230.98016	1.2
232.02238	1.5
233.99477	0.7
234.10387	0.7
237.02794	3.3
239.07819	0.7
240.12244	0.7
243.01607	0.7
244.02153	1.1
245.04898	0.7
248.14998	1.2
248.99190	1.1
253.02534	1.2
257.00912	1.2
258.13440	5.0
262.03500	0.7
263.13437	2.2
275.02179	1.0
276.14413	10.5
285.00375	1.3
285.05582	0.7
294.01108	1.1
294.06302	0.9
294.09357	1.2
294.15454	4.4
303.01352	8.1
304.01743	0.7
305.01703	0.9
305.10815	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	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.44442	0.1
55.05494	0.1
56.96561	0.3
57.07072	0.6
58.02947	0.2
61.06115	0.1
63.04371	0.1
66.04733	0.2
67.05508	0.8
69.07039	0.1
69.53587	0.6
71.08631	0.4
71.72749	0.1
79.05485	0.7
81.07060	1.9
86.36537	0.1
88.07627	0.1
91.05478	0.4
93.07047	0.2
94.04192	1.7
95.08611	0.2
97.83559	0.2
107.04971	0.4
107.08627	0.2
118.47646	0.1
121.43785	0.1
122.03653	6.2
123.11705	1.7
125.09705	0.1
137.05980	100.0
138.06335	0.4
139.03923	0.4
141.12762	0.2
158.15392	1.4
170.15395	2.3
194.97292	0.2
207.06006	0.1
210.12088	0.2
212.98413	0.1
238.11545	0.3
262.08789	0.1
276.20508	0.3
294.20883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.9
66.04713	0.3
67.05487	0.6
67.75732	0.2
71.08643	1.1
71.24287	0.3
79.05482	0.6
81.07048	0.9
91.05480	0.5
94.04192	1.6
107.04922	0.3
122.03656	6.2
123.11656	0.3
137.05981	100.0
138.06329	0.4
141.12743	2.9
154.23306	0.2
158.15392	1.1
170.15398	0.3
242.64534	0.2
253.07570	0.2
275.24615	0.2
276.20380	0.4
294.20898	0.5
297.12946	0.2
316.19391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03937	6.2
55.01868	12.6
55.05502	5.3
57.03442	26.3
57.07096	3.6
59.04987	5.3
61.02924	11.7
67.05492	8.9
69.03432	89.7
69.07059	7.1
71.01342	7.8
71.04994	5.3
71.53905	3.6
73.02927	28.9
79.05476	10.2
81.03433	25.3
81.07047	11.1
83.04968	4.0
85.02911	100.0
87.04488	20.4
91.03950	3.7
91.05465	6.2
93.07040	7.2
95.04947	3.9
95.08609	13.1
97.02305	3.6
97.02901	67.7
97.03521	4.4
97.06516	3.3
97.10148	4.2
98.97565	12.3
99.04461	13.6
101.02370	4.1
102.96865	3.5
103.03925	11.1
103.05484	6.7
105.07012	10.9
107.04948	3.7
107.08591	8.9
109.02882	21.2
109.06528	4.1
109.10140	9.3
111.04446	5.0
115.03922	41.1
116.98587	4.1
119.08576	4.4
121.06510	4.2
121.10149	9.4
123.04436	3.0
123.08073	5.0
123.11702	5.9
125.05963	3.4
125.09622	4.4
127.03931	29.6
131.04912	10.1
132.05669	3.6
133.04977	59.0
133.06482	12.4
133.10182	3.9
135.08051	6.1
135.11734	4.9
137.05951	10.2
138.09123	3.3
145.04951	32.0
145.06525	5.5
147.04405	3.1
147.08035	5.4
147.11676	3.7
151.03911	6.9
151.07541	11.2
151.11127	3.1
157.06505	2.6
158.99615	3.4
161.04436	3.1
161.05981	2.6
163.06201	4.2
163.07533	17.8
163.11142	2.9
165.05432	3.1
166.37630	2.7
169.04974	7.4
175.07497	6.8
175.11101	2.8
175.14824	5.2
177.00635	3.9
177.05515	2.7
177.09091	2.9
189.09076	3.8
189.12814	2.7
199.07608	2.7
207.09682	3.1
207.59761	4.4
208.09973	5.5
214.08670	16.4
223.09189	3.7
241.07103	5.3
259.08203	4.6
270.87350	2.3
273.61789	3.7
274.12091	11.8
277.07004	8.7
277.09470	5.5
295.09970	3.4
295.13089	5.0
295.16000	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03948	2.8
53.06956	1.8
55.01859	4.7
55.05506	3.9
56.96556	7.1
57.03441	53.6
57.65618	1.6
61.02929	16.9
62.45791	1.5
67.05494	7.8
69.03432	64.4
69.07065	3.0
71.01334	8.2
71.04977	3.9
71.53838	2.3
73.02921	85.5
79.05478	7.2
81.03421	11.7
81.05799	3.2
81.07049	7.4
83.04973	2.1
84.22032	1.6
84.96054	2.0
85.02909	86.6
87.04466	8.3
91.05507	3.0
93.07048	5.2
95.04961	4.1
95.08604	3.8
96.08138	16.6
97.02897	72.9
98.97589	17.5
99.04440	4.3
103.03931	3.1
105.07030	6.9
106.06525	2.2
107.04933	4.3
107.08551	4.5
109.02895	17.2
109.06479	3.5
109.10152	13.5
110.06084	2.3
110.97576	3.2
112.07593	4.7
115.03938	67.8
116.98621	8.0
117.07027	2.2
119.08559	4.8
123.04420	2.9
123.08101	2.1
124.07599	100.0
125.09621	1.9
127.03922	20.4
131.08556	1.7
133.02841	4.2
133.04973	21.2
133.10094	3.0
135.04448	3.4
135.08017	1.8
136.07590	2.1
137.05957	5.4
137.09613	2.7
138.09149	4.2
145.04977	21.2
145.10144	3.3
151.03905	5.3
151.07552	2.8
153.01833	20.3
153.05458	2.5
154.08615	5.5
157.04947	2.5
158.99644	5.0
159.11777	1.9
161.05994	2.4
163.06020	7.4
163.07483	1.8
167.03368	2.6
169.05074	2.1
172.09700	2.0
177.00684	3.6
177.05409	1.8
192.10274	2.5
201.00783	1.8
205.08475	1.9
206.11778	5.6
211.44669	2.0
214.08501	4.2
219.01834	2.3
223.05971	3.9
234.11224	3.1
237.02859	3.0
241.07118	5.1
259.08017	1.9
259.14343	5.0
272.05582	3.2
277.15558	9.6
279.19818	1.7
295.06006	6.4
295.11331	10.7
295.16287	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	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01868	12.6
55.05502	5.3
57.03442	26.3
57.07096	3.6
59.04987	5.3
61.02924	11.7
67.05492	8.9
69.03432	89.7
69.07059	7.1
71.01342	7.8
71.04994	5.3
71.53905	3.6
73.02927	28.9
79.05476	10.2
81.03433	25.3
81.07047	11.1
83.04968	4.0
85.02911	100.0
87.04488	20.4
91.03950	3.7
91.05465	6.2
93.07040	7.2
95.04947	3.9
95.08609	13.1
97.02305	3.6
97.02901	67.7
97.03521	4.4
97.06516	3.3
97.10148	4.2
98.97565	12.3
99.04461	13.6
101.02370	4.1
102.96865	3.5
103.03925	11.1
103.05484	6.7
105.07012	10.9
107.04948	3.7
107.08591	8.9
109.02882	21.2
109.06528	4.1
109.10140	9.3
111.04446	5.0
115.03922	41.1
116.98587	4.1
119.08576	4.4
121.06510	4.2
121.10149	9.4
123.04436	3.0
123.08073	5.0
123.11702	5.9
125.05963	3.4
125.09622	4.4
127.03931	29.6
131.04912	10.1
132.05669	3.6
133.04977	59.0
133.06482	12.4
133.10182	3.9
135.08051	6.1
135.11734	4.9
137.05951	10.2
138.09123	3.3
145.04951	32.0
145.06525	5.5
147.04405	3.1
147.08035	5.4
147.11676	3.7
151.03911	6.9
151.07541	11.2
151.11127	3.1
157.06505	2.6
158.99615	3.4
161.04436	3.1
161.05981	2.6
163.06201	4.2
163.07533	17.8
163.11142	2.9
165.05432	3.1
166.37630	2.7
169.04974	7.4
175.07497	6.8
175.11101	2.8
175.14824	5.2
177.00635	3.9
177.05515	2.7
177.09091	2.9
189.09076	3.8
189.12814	2.7
199.07608	2.7
207.09682	3.1
207.59761	4.4
208.09973	5.5
214.08670	16.4
223.09189	3.7
241.07103	5.3
259.08203	4.6
270.87350	2.3
273.61789	3.7
274.12091	11.8
277.07004	8.7
277.09470	5.5
295.09970	3.4
295.13089	5.0
295.16000	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.80438	6.3
53.80641	5.6
55.01865	24.6
55.05500	14.0
57.03433	26.6
57.07077	8.3
61.02927	47.1
66.38313	6.2
67.05508	24.4
69.03426	25.6
69.07063	17.2
71.01351	14.1
71.04986	7.9
73.02929	69.4
79.05498	18.8
81.03418	15.1
81.07047	28.3
82.60154	6.0
83.08650	9.5
83.91256	5.2
85.02911	100.0
85.58901	5.2
86.06616	5.7
91.03967	37.8
91.05480	12.8
91.60980	7.2
93.07033	21.5
93.21201	6.0
95.08607	22.6
97.02911	51.8
99.04470	13.2
105.07018	11.2
107.08579	13.0
109.10150	9.9
111.08118	9.6
115.03966	35.2
119.08614	8.7
121.10165	13.9
123.08113	7.5
127.03936	20.0
133.04979	50.7
133.10161	11.3
145.04971	22.5
163.06035	21.4
244.19650	6.5
266.66660	6.4
277.18039	10.3
277.21619	8.7
295.05978	10.6
295.15295	7.3
295.19223	5.8
295.24075	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	295.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01874	1.1
55.05264	1.3
55.05515	14.1
56.96564	2.0
57.03442	13.4
57.07088	4.2
59.04998	3.4
61.02930	4.7
67.05508	8.3
69.03437	25.9
69.07074	100.0
71.01363	2.3
71.05006	2.7
71.08636	1.1
71.53340	1.0
73.02924	21.7
77.75709	0.6
79.05507	3.8
81.03443	4.2
81.07065	20.2
83.05012	1.3
83.08632	7.0
85.02911	23.8
85.06560	2.1
87.04483	5.5
91.05480	3.5
93.07062	8.7
95.04984	1.7
95.08617	16.4
97.02902	21.9
97.06552	3.9
97.10182	2.8
98.97578	3.5
99.04469	3.3
99.08115	1.9
100.97179	0.6
103.03939	1.6
105.07040	4.2
107.04981	0.8
107.08588	6.8
109.02898	3.5
109.06554	1.9
109.10167	14.6
111.04443	1.0
111.08112	1.8
111.11732	28.7
113.09617	1.0
115.03946	20.6
116.98658	0.8
119.08614	2.3
121.02876	1.1
121.06600	1.1
121.10143	8.5
123.04465	1.1
123.08115	1.4
123.11723	7.2
125.09695	1.3
127.03925	6.0
127.11240	1.3
129.12793	2.1
131.08559	0.9
133.04973	10.0
133.06494	0.9
133.10181	2.1
135.11714	4.3
137.06017	0.8
137.09622	1.1
137.13295	2.1
139.11198	23.3
145.04959	7.5
145.10144	1.3
147.04381	0.6
147.11694	1.6
149.09686	0.8
149.13293	2.0
151.03961	1.1
151.11192	0.9
153.12773	4.8
157.12238	3.9
158.99664	1.0
159.11781	1.2
161.04449	0.7
161.13266	1.0
163.06097	0.6
163.14873	1.3
165.12735	0.7
167.10646	0.7
169.04976	1.1
173.13275	1.0
174.98991	0.8
175.07529	0.8
175.14905	0.8
177.00682	0.8
177.16362	1.4
189.16431	0.9
193.00093	1.0
223.06052	0.8
231.13870	0.8
241.07137	2.5
241.15709	0.9
259.08215	1.2
259.17059	0.9
259.24258	1.0
265.11914	2.4
265.61920	0.7
267.06598	0.8
277.09271	2.4
277.17856	0.9
277.22015	1.2
277.25385	4.9
291.03821	1.1
295.06073	2.0
295.09763	2.3
295.15552	1.2
295.26358	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05528	0.2
56.96580	0.2
57.03450	0.4
57.04567	0.9
58.97764	0.1
61.02930	0.5
69.03440	1.0
69.07084	0.5
69.65813	0.8
71.05003	0.2
73.02934	0.4
73.06551	0.2
81.03438	0.5
82.04052	0.2
84.04543	0.1
85.02911	4.5
86.09706	0.2
87.04454	0.2
87.08121	0.6
91.03965	0.3
94.04057	2.6
95.04977	0.2
95.08633	0.2
96.05630	0.3
96.23969	0.1
97.02910	1.2
98.21575	0.2
98.97619	0.3
99.04491	0.3
106.04052	0.2
107.08608	0.2
108.04347	0.2
109.02882	0.4
110.06061	0.2
112.05086	0.2
115.03942	0.3
119.03506	0.2
121.05154	0.2
123.06681	1.9
127.03916	1.0
133.05042	0.8
133.08800	0.1
135.05421	0.3
136.07547	0.2
137.06046	0.2
145.05002	1.2
145.06076	0.2
148.06206	0.3
150.07762	100.0
153.01865	0.3
157.78613	0.1
161.05943	0.2
175.07555	0.2
176.56956	0.1
205.08673	0.1
277.11615	0.2
295.06131	0.3
295.11481	4.9
295.16327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	6.7
53.63903	3.8
55.01877	33.0
55.05516	66.1
56.96559	6.3
57.03435	5.8
57.07077	12.3
67.05511	82.8
69.03441	7.5
69.07070	34.2
69.23962	37.9
71.04989	3.7
71.08637	31.0
79.05501	49.8
81.03425	11.4
81.07064	92.0
83.04990	19.8
83.08623	38.2
85.06564	8.6
85.09181	3.2
85.10184	7.0
91.05493	39.3
93.07058	64.7
95.04974	14.7
95.08617	57.5
97.06532	16.8
97.10167	23.4
98.20734	7.0
99.08113	29.4
105.07040	27.3
106.66991	3.6
107.08615	40.8
109.06525	11.2
109.10176	27.2
111.08093	42.0
113.09692	4.4
117.07038	8.6
119.08597	26.7
121.06503	4.7
121.10170	25.8
123.08075	6.4
123.11754	5.3
125.09653	16.2
126.38815	3.3
129.07034	5.0
131.08597	9.0
133.06541	8.5
133.10141	32.3
133.18230	3.6
135.08002	6.8
135.11722	18.7
137.09630	6.1
139.11197	15.3
143.07002	3.7
145.10176	9.4
147.08035	4.0
147.11719	22.2
149.09621	9.4
149.13298	16.7
151.11182	18.6
153.12790	4.4
155.10724	4.0
157.10118	9.7
159.11716	12.6
161.09695	4.7
161.13286	15.8
161.81599	4.1
163.11217	10.4
165.12820	13.6
171.11726	5.2
173.13391	6.4
175.11151	7.8
175.14833	6.1
179.14331	10.7
185.13292	4.8
189.11223	14.8
189.12788	5.9
193.12267	6.9
195.13800	11.3
201.99455	3.5
221.11728	4.3
231.21109	4.5
241.19708	5.9
249.22192	5.4
257.37918	3.9
259.20514	16.8
277.21643	100.0
295.06009	4.5
295.22705	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.35757	3.2
55.01861	5.5
55.05519	26.0
56.96563	8.3
57.03437	32.7
57.07072	10.5
67.05508	62.8
69.07083	23.8
71.08633	6.1
71.54776	6.1
79.05487	53.6
81.07059	100.0
82.01444	6.1
83.04980	4.3
83.08608	15.9
84.68764	3.3
85.06533	6.7
91.05464	24.2
93.07047	66.2
95.04940	5.1
95.08617	92.6
97.06527	8.8
97.10161	9.0
99.08089	7.6
100.02469	12.1
105.07035	22.4
107.08598	46.8
109.06509	7.9
109.10147	27.8
117.07002	9.1
118.03506	5.8
119.08588	23.7
121.10138	46.1
123.08096	10.0
123.11686	10.3
125.09621	6.6
131.08580	15.3
133.10112	19.5
135.11719	28.2
137.09575	7.0
137.13306	4.9
138.12569	3.3
141.05147	6.5
142.27419	3.8
143.08501	4.4
145.10106	11.3
147.11681	18.1
149.09663	4.3
149.13289	11.7
151.11203	4.8
157.10144	7.0
159.11729	12.0
161.13292	9.2
163.11172	4.5
163.14816	8.9
167.10640	5.7
171.11644	7.5
173.13283	7.2
175.14816	5.1
181.12253	4.2
185.13197	6.8
187.14842	19.6
202.96146	3.3
203.18002	5.7
205.15913	12.5
207.17444	9.5
212.63823	4.3
221.19060	11.4
223.16931	9.9
224.16071	3.7
233.16451	8.7
235.66833	4.8
241.19518	8.4
244.67259	13.2
245.17383	4.0
249.22359	3.8
253.67815	50.0
254.17804	21.8
254.67711	5.0
256.68304	4.5
259.20590	15.1
265.18469	14.8
265.68713	7.5
266.18570	6.0
274.18976	18.4
274.69104	9.7
277.21637	74.7
285.69821	13.2
295.05984	13.9
295.23071	6.2
306.71448	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.81989	1.8
53.03937	3.1
55.01878	5.1
55.05519	16.7
56.96562	2.4
57.03441	3.5
57.07071	5.4
58.17489	1.6
63.94591	1.6
67.05515	43.9
69.03436	2.2
69.07076	15.3
69.40279	13.3
71.04991	1.6
71.08639	37.2
76.32852	1.5
77.00891	1.6
79.05499	38.4
81.03428	5.3
81.07068	47.8
83.04997	11.3
83.08623	11.2
85.06543	2.1
91.05488	24.4
93.07050	50.1
95.04961	8.4
95.08617	32.2
97.06546	6.0
97.10189	4.5
99.08109	33.7
105.07040	17.7
107.04974	7.7
107.08604	31.2
109.06535	3.9
109.10167	16.5
111.08096	3.3
113.09675	2.3
117.07016	2.3
119.08577	13.7
121.06503	2.2
121.10153	29.7
123.11692	2.6
125.09679	3.8
129.07021	2.4
131.08589	6.2
133.10153	8.1
135.08101	2.1
135.11707	40.0
137.09618	3.0
139.11171	3.0
141.09160	2.4
143.08589	3.3
145.10146	6.2
147.11682	5.2
149.13271	11.1
151.11206	13.6
157.10196	1.8
159.11668	4.3
161.13284	9.7
163.11205	6.5
163.14874	2.5
167.10738	2.3
171.11772	3.0
173.13216	2.0
175.14786	1.5
177.12762	3.3
179.14331	100.0
185.13191	1.9
189.12794	2.4
199.14766	1.5
214.01114	1.7
221.15384	4.2
232.14815	2.3
235.17017	3.4
241.19577	2.4
259.20615	5.7
263.14661	1.8
272.15329	2.6
277.21640	53.8
295.22766	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.48570	2.6
53.03936	12.1
55.01860	4.9
55.05511	26.7
56.04219	3.3
56.96552	5.3
57.07066	10.5
60.69959	2.9
64.71648	2.6
67.05517	42.6
67.24364	2.5
67.79073	2.8
69.07079	43.0
69.74314	17.0
71.04331	3.7
71.08627	5.0
79.05126	3.3
79.05503	34.9
81.03429	47.6
81.07072	45.4
83.04997	16.6
83.08621	12.2
85.02916	3.4
91.05495	22.5
93.07059	29.3
95.04973	27.0
95.08598	21.7
97.06541	5.7
97.10168	7.0
99.08141	3.7
105.07054	41.6
107.08611	20.2
109.06512	9.7
109.10150	12.6
117.07062	5.1
119.08585	12.8
121.10139	11.8
123.08065	6.1
123.11694	9.2
125.09627	8.8
129.06976	4.3
131.08589	3.4
133.06503	20.9
133.10132	16.1
134.01173	3.4
134.07274	7.8
135.08061	33.4
135.11678	11.0
145.10126	4.5
146.08128	2.8
146.39348	3.5
147.11720	13.7
148.33308	3.1
149.13234	4.2
151.07535	5.5
151.11189	37.1
153.09113	6.7
159.11771	3.5
161.13297	8.2
163.14703	3.7
165.03705	17.4
165.12729	10.5
171.10268	3.1
171.11630	5.8
175.14909	4.3
179.05254	5.7
179.14342	4.8
189.12732	3.1
199.14877	3.1
207.13937	3.4
221.15407	3.3
231.21062	7.9
241.19586	4.4
249.22099	5.4
250.48499	3.0
259.20618	9.7
277.16257	12.6
277.21649	100.0
295.06015	7.5
295.17239	6.8
295.20200	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	295.2634
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
53.03946	0.8
55.01860	0.8
55.05515	12.3
56.96575	1.2
57.03441	6.7
57.07086	2.7
59.05008	1.9
60.95867	0.5
61.02938	2.8
67.05510	5.5
69.03437	9.9
69.07072	100.0
71.01357	0.8
71.05007	1.3
71.08652	0.6
71.53545	0.5
73.02923	11.7
73.06570	0.5
79.05502	3.0
81.03428	1.4
81.06586	0.8
81.07062	12.3
83.04996	1.1
83.08628	4.1
84.96072	0.4
85.02910	11.9
85.06549	2.4
85.10198	0.7
87.04485	1.4
91.03962	0.4
91.05464	1.9
93.07049	6.6
95.04996	0.9
95.08614	9.8
97.02897	9.3
97.06546	3.2
97.10152	2.6
98.97569	2.0
99.04463	1.0
99.08101	1.7
102.96857	0.8
103.03979	0.6
105.07025	2.4
107.04984	0.5
107.08595	4.3
109.02908	1.6
109.06561	0.8
109.10162	7.9
110.97650	0.4
111.04488	0.5
111.08098	1.1
111.11730	32.4
115.00648	0.4
115.03936	8.6
116.98633	0.9
117.07005	0.6
119.08578	2.2
119.21363	0.4
121.06517	0.8
121.10149	6.4
121.10949	0.7
123.08134	1.1
123.11699	3.5
125.09644	0.9
125.13358	0.4
127.03926	2.5
129.12753	3.0
131.08578	0.7
133.04965	3.8
133.10173	1.6
135.11690	2.3
137.06010	0.5
137.09619	0.8
137.13234	0.5
139.11194	29.1
143.08606	0.4
145.04974	3.0
145.10150	1.1
147.08032	0.6
147.11697	1.5
149.13310	1.2
151.11191	0.6
153.05502	0.6
153.12749	2.6
157.12248	4.6
159.08144	0.5
159.11743	0.8
161.13309	0.8
163.04013	0.5
163.06013	1.1
163.07474	0.4
163.14897	0.9
168.39459	0.4
173.13278	0.4
175.07558	0.7
175.14874	0.6
177.16541	0.5
181.00098	0.4
193.00011	0.5
207.08084	0.5
219.01801	0.6
223.06247	0.6
229.10982	0.5
235.07498	0.5
241.07094	0.7
259.08038	0.7
259.17020	0.6
259.24246	1.0
265.12177	1.4
277.14407	0.6
277.17984	0.9
277.22101	0.7
277.25198	2.4
295.06110	1.3
295.09494	1.0
295.15192	0.9
295.26328	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	295.2631
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03934	0.6
55.01851	1.3
55.05510	13.1
55.16185	0.6
56.96551	0.6
57.03434	2.8
57.07076	4.0
59.05000	2.2
65.13737	0.6
67.05504	8.6
69.03078	1.2
69.03430	11.3
69.07068	100.0
70.98156	1.0
71.05002	1.3
71.08629	1.7
73.02918	1.2
79.05496	3.5
81.03423	2.3
81.07059	20.1
83.04967	1.4
83.08612	7.1
85.02904	6.7
85.06553	2.8
85.10186	0.9
87.04467	3.7
91.05479	2.0
93.07048	6.2
95.04971	1.6
95.08607	14.0
97.02898	6.4
97.06533	3.3
97.10171	3.4
98.97575	1.7
99.04466	1.4
99.08093	2.2
102.96855	1.0
103.03955	1.1
105.07025	2.2
107.08586	4.6
109.02866	0.9
109.06519	2.0
109.10155	17.2
111.08089	1.5
111.11719	32.8
115.03927	5.0
119.08595	3.0
121.10145	8.2
123.08070	1.7
123.11709	5.8
125.09615	0.9
127.03915	2.4
127.11170	1.4
129.12766	2.4
133.04956	5.2
133.06468	0.6
133.10104	2.6
135.11732	2.7
137.09622	1.1
137.13237	2.2
139.11177	27.3
141.12773	0.8
145.04955	3.2
147.11685	1.5
149.13261	2.9
151.11191	1.2
157.12225	4.8
161.13225	1.0
163.14821	1.5
165.12762	1.3
165.29692	0.5
167.10628	0.8
167.14302	0.7
169.04895	0.9
175.14818	0.8
177.16411	1.6
189.16408	0.9
193.15906	1.0
203.18095	1.1
213.03073	0.6
221.19148	0.6
237.99232	0.6
259.20865	0.5
259.24191	1.6
265.11853	1.8
274.11966	0.7
277.09198	1.1
277.22147	0.9
277.25229	6.0
295.06125	1.2
295.26312	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2633
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03939	0.8
53.20556	0.4
55.01867	0.8
55.05513	13.9
56.96566	1.0
57.03434	1.8
57.07074	5.9
58.70549	0.4
59.05003	2.8
60.84420	0.4
63.29571	0.4
63.95879	0.4
65.03953	0.4
67.05508	13.7
69.03430	3.2
69.07069	100.0
70.07410	0.5
71.04986	2.2
71.08630	1.9
71.54468	0.5
73.06575	0.6
77.15639	0.4
79.05502	4.1
81.03415	0.7
81.07059	31.2
83.04987	1.1
83.08620	9.1
83.59055	0.4
85.02914	1.7
85.06530	4.0
85.10175	0.7
87.04475	0.7
91.05479	2.6
93.07046	9.0
95.04958	1.2
95.08610	17.1
97.02911	0.9
97.06530	4.4
97.10169	3.1
98.97580	2.2
99.08094	3.1
101.06075	0.5
102.96884	0.5
105.07030	3.4
107.08597	7.2
109.02837	0.5
109.06529	1.6
109.10156	26.6
111.08105	2.2
111.11721	25.7
113.09563	0.4
115.03893	0.5
116.98649	0.6
119.08572	3.3
121.10152	7.5
121.10942	0.8
123.08095	1.1
123.11707	13.6
125.09646	1.5
127.03905	0.4
127.11212	1.8
129.12726	2.8
131.08609	0.6
131.24686	0.4
133.06546	0.6
133.10112	2.1
135.11684	4.1
137.09612	1.1
137.13266	2.8
139.11185	22.8
141.12729	1.2
145.10172	0.5
145.12271	0.5
147.11691	1.7
149.06029	0.6
149.09612	0.4
149.13248	3.3
151.11186	0.8
151.14757	1.0
153.05513	0.5
153.12759	3.9
155.10774	0.5
157.10167	0.5
157.12225	3.4
158.99748	0.5
161.13239	0.9
163.14851	2.1
165.12769	1.1
167.14378	0.6
168.95328	0.5
169.12314	0.7
171.13806	0.4
175.14830	0.8
177.16451	0.7
179.17995	0.5
185.03976	0.7
189.16412	0.8
191.95374	0.5
193.15936	1.3
203.17876	1.0
217.89490	0.5
228.60179	0.4
235.13495	0.6
259.24194	1.7
265.12088	1.2
274.12451	1.8
277.14270	0.6
277.22131	0.7
277.25320	7.2
291.03876	0.5
294.63971	0.6
295.06006	1.5
295.09598	1.9
295.26309	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.22138	0.9
55.01877	1.4
55.05516	17.2
56.96569	4.9
57.03440	21.8
60.06754	1.1
61.02914	1.7
69.03427	5.8
69.07066	6.0
70.77296	1.4
70.77641	2.4
71.04993	21.6
75.04465	5.7
79.05494	7.2
79.53252	1.1
81.03405	2.7
81.07056	83.2
84.71853	1.1
85.02902	16.5
91.03948	1.4
91.05514	1.1
97.02887	6.1
97.06527	1.9
98.97583	4.4
99.04462	1.4
99.08093	100.0
104.31338	1.2
105.03345	1.5
109.02872	4.3
110.06057	1.3
110.77231	1.0
110.97551	1.2
113.95905	1.0
116.98608	1.8
117.09122	26.8
117.09908	1.8
117.98623	1.0
121.02864	4.3
127.03920	4.8
137.05966	4.0
145.04942	3.6
150.07813	1.8
151.08182	1.9
153.01836	4.5
189.97934	2.7
207.98888	1.3
219.01752	1.8
231.98938	1.1
250.00032	1.3
264.10153	3.2
296.10400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03953	4.6
54.80781	0.2
55.01879	0.6
56.96581	0.3
57.03443	0.7
57.07069	0.2
61.02921	0.2
67.05511	0.5
69.03438	7.0
69.07086	0.3
69.83532	1.0
71.01386	0.3
71.05006	1.2
74.86888	0.2
79.01868	5.3
79.05505	0.5
81.03428	33.2
81.07066	0.4
83.04993	0.3
85.02921	1.3
85.06503	0.2
87.04488	0.2
91.05494	0.4
93.07069	0.4
95.04986	0.3
95.08624	0.4
97.02905	6.6
98.21479	0.4
98.97602	1.1
99.04476	2.5
105.07085	0.2
107.01324	2.2
107.04971	0.6
107.08631	0.5
109.02893	15.2
109.06545	0.2
116.98682	0.3
123.00864	0.2
123.04489	0.4
124.07642	0.4
125.02365	3.5
127.03934	6.2
131.04958	0.3
133.06482	0.3
135.08037	0.2
137.06000	0.5
143.03424	6.3
145.10179	0.3
147.08047	0.2
149.09584	0.2
150.90231	0.2
151.07603	0.3
153.01849	100.0
153.02885	5.6
154.02248	0.4
158.99760	0.3
159.04442	0.6
163.03931	0.2
165.05499	0.2
167.07051	0.4
170.02229	0.2
171.02901	4.7
175.03949	0.3
177.00732	0.2
177.09174	0.3
179.03409	0.4
181.01382	0.9
187.03844	0.2
191.03299	0.4
195.03024	0.3
205.05025	0.7
206.08604	0.3
207.02936	0.4
221.10690	1.2
223.02449	0.4
224.10042	0.4
233.04407	0.5
237.03891	0.4
261.03940	0.3
266.11771	0.3
286.85822	0.2
292.51004	0.2
297.06076	23.9
299.06137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01871	1.4
55.05505	1.5
56.96331	1.0
56.96567	11.7
57.03435	6.1
58.99860	1.1
61.02925	6.8
67.05495	1.1
68.37440	0.9
69.03432	13.7
69.53939	1.6
69.54346	4.1
71.04992	2.4
71.95267	1.7
73.02927	4.1
73.55141	0.7
75.04473	1.8
79.05501	1.1
81.03425	6.6
81.07074	0.8
82.99866	0.9
83.01324	1.0
83.04980	1.4
84.96014	0.7
85.02906	27.5
85.06557	1.3
86.03232	2.2
87.04466	3.3
91.03938	2.3
91.05476	2.1
97.01379	3.6
97.02893	13.7
98.97588	66.5
99.04450	3.5
101.00874	12.6
101.06009	2.5
103.05450	1.0
105.00372	2.0
108.07499	0.8
109.02885	3.3
110.97576	2.0
112.54443	0.8
113.00851	2.2
113.02368	2.2
115.02438	14.5
116.16853	0.8
116.98626	39.7
117.05554	1.0
118.06556	10.9
119.01925	29.6
119.04956	1.0
119.07097	1.1
120.01972	1.4
120.08108	1.7
121.01675	1.0
124.03960	4.6
125.00851	1.0
127.03925	8.2
128.04187	0.9
128.98602	1.8
129.03949	2.8
129.28670	0.8
131.01888	3.2
132.01990	1.2
133.03482	7.5
134.99654	14.2
136.06190	53.3
136.07533	4.4
137.02975	5.0
137.05951	2.9
141.05435	1.3
142.03482	2.4
143.00145	1.5
143.01904	10.5
143.05515	2.1
145.03448	3.4
145.05003	4.2
146.03546	0.9
146.99657	1.7
147.04312	1.6
147.05167	0.9
149.05910	0.8
152.84961	1.0
153.00587	2.4
153.01833	2.3
155.01945	1.5
157.03444	5.8
158.06654	1.3
158.99660	2.4
159.01379	0.9
161.02965	23.1
161.06648	4.3
162.03120	1.3
166.01317	0.9
170.06615	1.0
171.01436	5.2
171.04994	1.5
172.94322	2.3
173.02986	1.9
173.06679	0.9
175.01874	2.1
175.04518	2.6
177.00870	1.6
177.02429	1.6
178.54466	4.5
179.55290	1.6
181.01939	1.0
185.02943	3.4
185.06590	1.2
187.00824	3.9
187.55081	1.5
188.07646	1.9
189.00798	1.6
189.02444	5.4
189.06073	2.9
190.95338	2.9
191.08664	4.1
193.01871	1.5
193.08823	2.3
194.54924	1.3
195.01311	2.0
195.05138	1.2
196.54362	0.9
196.99307	1.7
199.04520	1.5
201.02411	1.1
202.02348	1.3
202.06061	0.9
203.04015	2.5
206.09612	0.9
207.03502	2.0
207.07138	2.5
208.04877	3.2
208.11235	5.4
208.96094	1.2
210.61945	0.9
212.04045	4.4
213.00706	1.0
213.02490	5.7
214.95314	1.7
215.00323	5.0
215.03769	0.9
217.03117	1.6
217.05476	1.4
217.08078	1.0
219.01843	1.5
219.08031	3.1
221.05060	2.1
226.03438	1.5
230.05083	2.9
232.06863	1.5
232.96503	5.7
233.01430	37.6
236.10742	5.3
237.02913	1.8
237.07848	2.5
238.05774	1.9
240.05855	1.3
244.99701	1.3
245.05098	1.1
247.02942	1.4
248.03285	1.5
249.09048	2.4
250.08650	2.0
250.97275	3.0
251.02505	67.7
251.09441	2.8
254.05316	1.0
256.03104	2.9
256.06696	0.9
256.96497	7.4
257.01266	1.8
257.05042	2.6
261.03094	2.2
263.00919	1.0
264.10162	2.7
266.05408	1.5
266.11777	41.3
274.97501	64.1
275.02441	15.1
275.05920	3.8
292.98621	29.9
293.03537	100.0
297.98978	1.5
298.08420	1.9
298.11560	10.5
298.14316	12.7
298.18600	2.6
299.09790	1.9
303.01303	1.3
309.00803	1.0
316.05048	3.3
316.08734	1.3
316.19870	1.0
319.08823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
51.43061	0.2
53.03949	0.3
55.05495	0.3
56.96558	0.4
57.03438	0.2
58.01592	0.2
61.01158	4.4
67.05490	0.2
69.03436	1.0
69.69193	0.9
73.02928	0.3
75.02706	2.5
75.35188	0.2
79.05489	0.2
81.03422	0.9
82.03764	0.3
83.08614	0.5
84.96011	0.2
85.02922	1.6
87.04445	0.2
91.05488	0.9
94.04072	0.3
97.02895	2.4
98.97602	1.7
101.09649	0.4
102.03948	0.2
103.02173	0.4
109.02876	0.8
110.97548	0.3
116.98610	0.5
119.03555	0.8
119.04921	0.3
121.06496	0.2
127.03896	0.5
130.06537	0.3
132.97017	0.2
134.99643	0.2
136.06194	100.0
137.02354	0.4
137.04581	0.3
137.05910	0.4
145.03233	1.1
145.05023	0.3
149.05988	0.7
153.01907	1.2
154.02176	1.4
154.03273	0.2
163.04236	1.4
165.07018	0.4
174.05569	0.2
175.06311	0.5
177.00769	0.4
178.07834	0.2
179.08582	0.5
189.06905	0.2
190.07806	0.3
191.08575	2.7
193.08867	0.7
201.91579	0.2
206.09671	0.6
207.08200	0.2
208.11255	2.7
219.08118	1.8
221.08464	0.3
222.09137	0.2
222.11156	0.5
223.07597	0.2
223.09930	0.2
224.07054	0.3
227.09364	0.3
236.07066	0.4
236.10699	2.6
237.07855	2.0
249.09167	1.4
250.08612	0.9
251.09398	1.5
255.23335	0.2
259.06052	0.3
264.10211	1.7
266.11777	22.6
268.06528	0.3
277.07108	0.8
280.08347	0.3
282.11349	0.2
287.10233	0.2
298.06662	0.3
298.09763	5.0
298.14426	8.3
299.10101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	1.8
55.01870	1.9
55.05503	5.7
56.96561	4.4
57.03441	90.4
57.07064	1.3
59.05004	17.8
61.02930	9.8
67.05509	1.7
69.03432	13.5
70.27517	5.2
71.04987	2.7
73.02915	4.7
73.06549	1.7
74.90965	1.3
81.03417	4.3
83.04999	3.4
85.02911	44.9
85.06541	2.9
87.04460	2.2
88.07624	1.5
91.03943	1.5
91.05486	1.7
93.95490	1.3
97.02908	12.3
98.21478	1.8
98.97599	16.8
99.04452	3.6
101.06019	29.8
109.02879	3.2
110.97586	3.3
112.07613	3.3
116.98625	4.9
118.06561	2.3
119.01904	3.2
119.07062	100.0
124.03967	10.8
124.38968	1.2
127.03924	8.9
128.98595	1.9
130.08617	3.6
136.06206	2.1
136.07616	1.7
136.09734	3.2
137.05923	2.3
143.00140	1.6
143.01971	2.1
145.04967	11.1
158.55833	1.4
158.99585	6.4
161.02927	2.7
166.07291	7.2
175.04410	3.5
177.00780	2.9
179.06967	1.4
182.03374	1.7
187.02821	2.8
188.07704	1.9
191.03835	1.4
191.08562	1.7
193.04570	1.9
197.44292	1.4
208.04884	1.7
208.11183	3.1
219.01851	5.8
236.10788	1.6
237.02762	4.1
238.05702	2.2
247.06572	2.6
249.09074	1.6
251.02589	1.6
256.06955	1.9
265.06522	2.9
266.11752	20.6
274.07101	4.4
274.57291	1.7
298.06799	1.8
298.09665	2.8
298.14789	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	299.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93818	0.6
55.05505	1.4
67.56870	0.4
69.07092	0.4
69.96177	4.3
70.95853	1.3
71.16927	0.9
73.02891	0.4
76.61874	0.4
81.07059	0.4
82.99889	0.6
83.04984	2.5
85.01397	1.5
88.30574	0.4
92.68887	0.3
98.96950	0.5
98.97585	6.8
101.00874	5.4
102.00914	0.4
103.02467	2.9
111.04452	1.7
113.05997	1.5
116.98616	3.2
119.01931	13.0
120.02055	0.4
121.03502	0.9
127.02415	0.5
127.07548	1.5
131.96147	2.2
134.99649	1.1
137.02969	2.8
139.06058	0.5
141.03967	1.2
143.05556	5.5
145.03482	6.3
147.05029	4.1
149.97188	2.2
153.04027	0.7
155.05733	0.8
155.07034	13.3
157.07100	4.9
159.05025	1.1
161.06602	4.6
163.04546	6.2
165.06108	2.5
167.05551	0.7
169.07121	4.1
171.05080	2.8
173.06523	0.4
174.97733	0.5
175.08163	7.4
177.00967	1.3
178.01071	1.6
179.00763	0.5
183.05128	0.8
183.08678	0.8
185.06622	7.5
187.04584	1.7
187.08163	10.1
189.06102	12.4
190.94748	0.4
191.94978	1.0
192.98708	0.5
195.05099	1.3
201.06012	0.7
201.09712	2.2
203.07703	3.0
204.02756	0.4
205.05635	0.8
207.07114	0.9
207.94370	0.4
208.96159	0.5
209.96049	2.5
211.04535	4.5
211.08102	1.0
213.02788	0.4
213.06125	6.9
213.09691	5.1
214.95737	0.7
219.02031	7.1
220.02225	1.8
221.01845	0.5
222.01921	0.5
229.05644	2.6
229.09140	0.6
231.07146	2.7
231.10730	1.3
232.96545	1.3
233.96013	2.4
234.03751	0.6
237.06035	1.3
239.07733	0.8
240.98697	0.5
244.02159	0.5
246.03607	0.4
250.97559	0.8
251.97069	4.1
252.96616	0.8
255.07114	2.9
255.10757	5.2
256.96875	1.7
257.03546	0.9
257.08719	4.9
257.96106	0.4
258.99789	3.5
261.02991	1.4
262.03192	4.8
267.12146	1.4
273.08249	0.6
274.97610	3.7
275.04669	1.3
275.09790	0.9
275.97162	10.5
276.04648	4.9
276.96777	0.4
276.97986	0.4
277.00818	3.4
292.98615	0.7
293.98190	11.4
298.97852	5.6
299.09766	100.0
300.10016	1.0
316.98819	6.0
317.10828	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	11.1
53.03943	4.2
55.01866	6.3
55.05267	2.8
55.05515	39.6
56.96552	1.9
56.98526	1.5
57.03442	24.7
57.07061	2.6
59.04995	5.8
63.40726	1.5
63.80579	1.6
65.03912	2.4
67.05513	23.0
69.03423	3.7
69.07061	7.8
70.18074	4.9
71.01339	5.3
71.04993	1.8
79.05501	16.4
81.03422	7.5
81.07059	37.2
83.04979	6.9
83.08622	23.1
85.06570	3.5
87.04472	1.6
91.05486	37.4
93.07052	30.2
95.04970	8.6
95.08605	12.0
96.61716	1.5
97.02894	9.1
97.06526	7.2
97.10159	3.8
98.97581	1.6
99.00825	48.6
99.08081	2.5
99.92732	1.5
101.02331	2.8
103.05467	4.1
105.07034	31.4
107.04964	9.8
107.08609	17.1
109.02883	18.1
109.06529	7.1
109.10175	10.6
111.04428	3.5
111.08073	8.2
115.03925	6.8
117.07024	7.1
119.08592	18.7
121.06506	15.3
121.10133	3.0
123.04439	3.1
123.08066	3.3
123.11709	6.2
123.27104	1.8
127.03914	7.2
128.06224	3.8
131.08563	3.8
133.06476	2.7
133.10139	68.7
135.08046	2.6
135.11681	4.3
137.09624	2.2
139.07533	8.0
143.08542	9.6
145.06526	2.3
147.11700	1.9
151.11194	25.2
161.09627	37.3
171.08049	6.8
177.13136	1.6
179.10670	31.1
189.09103	30.4
193.71991	1.9
197.11708	10.5
197.13254	1.4
207.10188	10.9
225.11217	42.9
243.12306	8.2
244.16464	1.6
253.19530	2.7
266.98083	1.8
267.09283	2.2
267.12146	6.8
285.07068	1.9
285.10449	2.7
299.14890	100.0
299.20236	4.3
299.23724	2.5
299.27353	4.6
301.41550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0919
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
53.03928	3.9
55.01849	2.9
55.05513	11.7
56.96545	2.7
57.03429	2.1
57.07059	1.6
61.02918	2.5
65.03934	12.0
67.05513	6.4
68.99775	1.9
69.03436	15.6
69.68118	7.7
69.70161	1.4
70.06572	2.9
81.03422	14.0
83.04992	25.2
85.02903	12.8
91.05456	2.5
93.03411	27.3
93.07029	1.8
95.04922	4.5
97.02892	13.7
98.97547	4.7
99.04416	3.3
109.02873	10.4
111.03848	1.3
111.04441	13.5
118.04145	1.6
121.02879	23.6
123.04369	1.9
127.03905	13.5
137.05887	1.5
139.03905	59.7
139.07422	1.9
139.08568	3.9
140.03351	1.4
140.07018	2.3
145.04915	1.3
151.03862	6.8
153.01691	1.7
156.10213	1.7
157.04977	9.2
167.07022	1.8
168.00536	6.3
181.04921	2.4
186.01546	3.4
229.04814	1.7
239.08310	1.2
253.10687	1.5
255.08507	5.0
258.05051	2.5
268.17444	1.3
269.13690	7.1
283.08102	3.1
285.03860	7.6
286.04730	52.3
301.07074	61.5
301.12430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	34.6
55.05273	2.3
55.05517	35.2
57.03443	60.9
60.02138	2.5
60.67310	1.7
61.02929	2.1
67.05514	30.9
69.03435	7.0
69.07085	12.1
71.04994	2.7
71.23154	4.3
73.02923	21.3
79.05502	30.0
81.03420	6.9
81.07072	23.5
82.04211	7.7
83.04991	22.8
83.08643	12.3
85.02936	3.7
85.70553	1.8
87.04467	1.9
91.05488	24.7
93.07064	20.1
95.04985	13.6
95.08611	6.6
97.02926	2.1
97.06534	14.2
97.10179	22.5
98.07325	14.9
101.06045	3.3
105.07041	10.8
107.04984	3.7
107.08633	16.0
109.06512	4.8
109.10172	9.8
109.10867	1.9
111.04477	2.2
111.08106	4.8
114.07964	2.0
116.04729	43.7
117.07008	4.5
118.04205	2.1
119.08591	10.7
121.06477	2.1
121.10164	7.2
123.08097	6.3
125.09641	27.7
129.05495	100.0
129.06992	4.2
131.08572	6.4
133.10126	8.7
135.08101	5.9
135.11693	3.9
136.08890	3.5
137.09659	5.8
143.07059	18.0
145.10129	2.9
147.11716	8.9
149.09645	2.7
157.08633	47.6
157.10101	5.9
157.74857	1.7
163.11156	2.5
163.25220	1.8
165.12784	2.1
168.00580	7.9
170.00194	1.7
171.10181	17.7
175.11238	4.7
178.25842	2.3
181.12280	3.0
184.05348	2.1
185.11728	3.4
186.01631	2.1
189.11224	29.1
191.14383	2.7
193.12273	4.3
199.13316	9.1
200.14142	12.5
209.11795	1.9
210.12572	2.9
218.27673	2.0
227.12820	16.1
258.05304	2.9
285.03867	9.3
286.04736	58.0
301.07123	71.5
301.16531	79.8
301.20139	3.0
301.21671	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01632	2.0
55.01876	33.2
55.05519	30.3
57.03442	53.7
57.07055	1.7
59.04994	1.4
61.02920	3.5
64.28397	1.6
65.03928	2.0
67.05516	23.9
67.64545	1.5
67.76344	1.6
68.99800	2.2
69.03426	5.7
69.07075	11.1
70.04214	2.1
70.78579	4.1
71.04993	2.5
71.41760	1.5
73.02559	1.9
73.02925	17.3
77.12232	1.5
79.05076	1.6
79.05504	26.4
81.03414	5.8
81.07066	21.5
82.04192	6.7
83.04982	20.9
83.08607	12.0
85.06528	1.7
87.04469	4.6
91.05484	17.0
93.07063	17.2
95.04984	10.4
95.08613	11.2
97.02914	2.7
97.06556	7.8
97.10180	22.2
98.07323	11.9
101.06034	4.0
102.23617	1.4
105.07023	10.3
107.04944	1.9
107.08608	14.1
109.06522	1.6
109.10171	4.9
111.08096	4.7
112.94041	1.5
116.04716	45.9
117.07041	3.2
118.04210	1.5
119.04975	1.8
119.08584	6.9
121.10161	4.8
123.08073	6.3
125.09628	22.6
129.05492	100.0
131.08551	6.7
133.10185	9.9
135.08061	4.6
135.11740	2.7
136.08853	2.0
137.09547	1.8
140.00996	2.0
143.07039	20.1
145.10136	3.6
145.35294	1.6
147.11688	8.3
153.09120	4.4
157.08635	44.5
157.10077	4.9
159.11719	2.9
163.11169	4.4
165.12764	2.3
168.00571	6.2
171.10197	14.2
175.11180	3.8
181.12241	2.6
184.05333	1.6
185.11758	3.3
186.01651	2.0
189.11234	31.2
193.12245	4.7
199.13315	7.7
199.14926	2.4
200.14093	14.7
210.12524	3.2
227.12778	18.2
239.16565	1.9
241.15833	1.7
255.21098	6.7
258.05325	2.7
268.15829	1.6
280.19299	2.0
285.03979	5.8
286.04755	51.9
301.07111	62.3
301.16489	73.4
301.21432	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	301.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68851	1.1
55.01863	2.5
55.05494	4.8
56.08704	1.3
56.96551	2.9
57.03429	1.3
57.07082	5.7
59.30507	1.1
60.37513	1.2
64.19468	1.1
67.05499	11.5
68.95998	1.1
68.99777	2.2
69.03411	2.7
69.07059	6.2
69.56496	9.1
70.06574	4.6
71.04976	2.6
71.08611	1.4
79.05494	7.5
81.07056	11.0
83.08591	3.2
85.02888	1.5
85.06521	1.4
88.07611	5.3
88.09192	1.1
91.05474	12.7
93.07040	14.9
95.04980	7.1
95.08595	11.9
97.06496	4.5
97.10184	1.4
98.97575	2.9
102.09201	2.0
105.06390	1.9
105.07033	23.1
106.08656	1.8
107.08599	19.8
109.06525	15.2
109.10158	14.6
111.08043	3.6
115.05402	1.8
116.98646	1.5
117.07009	6.5
118.04140	1.5
119.08575	26.8
121.06486	3.5
121.10157	12.9
123.04412	1.4
123.08080	2.6
123.11720	1.9
125.09628	2.3
128.06215	2.3
129.05476	3.5
129.06995	3.5
131.08571	25.0
133.10121	19.0
135.08075	10.9
135.11685	3.4
140.01065	1.3
142.07782	2.2
143.08559	8.1
144.09314	2.7
145.09045	2.0
145.10130	24.1
146.07249	1.4
147.11720	7.6
149.13298	2.2
152.11255	1.4
157.08723	2.1
157.10103	7.6
158.10939	7.7
159.08006	2.7
159.11685	6.4
161.09618	32.4
161.10942	2.2
161.13181	2.2
163.11147	2.6
168.00560	9.8
170.10873	1.5
171.11725	4.5
173.11755	2.9
173.13261	50.4
175.11160	1.4
175.14818	6.2
179.08737	1.8
183.11731	3.3
185.13269	5.5
186.01556	5.3
187.14781	3.0
189.12709	2.7
191.14311	12.1
195.11618	2.3
197.13217	1.6
199.14854	5.7
201.12741	2.4
201.16455	2.3
203.14297	1.5
209.13263	5.4
212.04672	1.5
213.16476	2.2
223.14815	4.0
227.14305	3.7
229.05034	1.5
229.07480	2.6
229.14383	1.5
229.22369	1.5
231.61209	1.5
240.04305	2.1
247.08595	3.2
258.05209	4.0
265.19476	3.8
269.13623	3.5
283.20560	4.4
283.28323	1.5
284.29712	1.9
285.03949	12.3
286.04709	80.6
287.05301	3.0
301.07068	100.0
301.17493	6.2
301.21649	9.1
302.07144	1.4
302.30542	42.0
323.02805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01863	2.3
57.03429	4.3
61.02918	5.9
66.54551	1.4
67.05494	6.3
69.03434	11.5
69.07060	2.0
69.45570	11.0
70.06591	7.6
73.02896	2.2
79.05492	3.9
81.03423	8.9
81.07041	5.4
85.02908	93.1
86.09711	2.7
88.54131	1.6
91.03965	1.8
93.05803	1.9
95.04963	4.2
96.04498	1.7
97.02899	42.7
98.97596	2.7
99.04466	2.2
103.03930	8.3
108.08131	13.4
109.02879	12.2
110.06042	2.0
112.07622	7.3
114.17378	1.5
122.06009	9.4
125.05994	5.0
126.05524	8.0
126.09122	3.3
127.03921	24.1
136.07574	20.1
137.05981	6.2
137.62727	1.7
140.07069	52.0
145.04967	15.3
150.09152	5.2
152.07085	23.3
153.01872	2.1
154.08632	6.8
161.06000	2.5
163.06017	4.4
164.07068	22.5
178.08624	18.7
182.08138	100.0
206.08128	39.6
218.08156	4.0
224.92760	1.7
236.09181	3.3
248.09229	12.8
287.04919	1.7
302.07175	2.3
302.11768	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
57.03421	4.6
61.02927	6.2
67.05504	6.0
69.03425	12.6
69.07047	1.7
69.88602	6.3
70.06591	25.7
72.08166	1.6
73.02912	3.4
79.05490	6.6
81.03410	10.4
81.07068	7.2
85.02905	85.2
91.03927	1.5
91.05466	2.0
93.05753	1.3
94.06595	1.4
95.04951	5.3
97.02293	2.5
97.02895	40.0
97.06522	1.5
99.04443	3.6
103.03925	5.4
108.08127	11.6
109.02876	13.5
110.06020	1.3
112.07607	20.2
122.06033	8.4
125.05972	6.2
126.05500	7.1
126.09145	4.1
127.03928	18.8
136.07581	20.6
140.07068	57.5
145.04962	12.7
150.09146	4.0
152.07071	17.3
154.08606	8.7
158.08185	2.2
161.05913	1.5
163.06020	4.7
164.07065	19.8
171.11336	2.1
175.84560	1.3
178.08635	16.0
182.08130	100.0
206.08124	43.5
206.10120	2.3
218.08112	4.6
223.70946	1.2
236.09088	3.4
246.78334	1.2
248.09138	11.7
284.11194	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01860	0.9
56.47231	0.6
57.03424	1.5
61.02922	1.5
63.15253	0.7
65.03929	2.0
65.86962	0.5
67.05505	25.5
67.43023	0.5
68.91489	0.6
69.03075	1.1
69.03429	11.7
69.07070	6.3
70.06596	4.2
71.04987	2.7
71.23161	1.2
73.02905	1.2
81.03419	3.9
84.08138	1.1
85.02908	29.0
88.07616	1.1
91.03956	1.1
94.06575	0.7
95.04970	36.2
97.02888	29.3
99.04454	1.1
100.11411	0.6
103.03935	3.1
103.43687	0.6
109.02886	7.5
112.07613	30.1
113.05998	2.7
122.06037	2.0
123.04412	1.4
124.07615	1.1
127.03927	6.6
130.08664	4.9
136.07591	1.8
140.07069	100.0
145.04968	3.6
150.09132	0.9
152.07076	1.0
154.08626	5.9
178.08696	3.3
182.08134	52.8
206.08122	12.3
218.08092	1.1
236.09209	2.1
248.09158	9.3
284.11404	1.7
302.12421	2.7
318.39600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01864	2.9
56.96550	1.4
57.03423	5.3
61.02925	4.4
62.71745	1.0
65.27547	1.0
67.05495	7.0
69.03426	13.0
69.07092	1.7
70.06565	2.0
70.16333	1.0
71.01340	0.9
71.05025	2.2
72.08091	1.1
73.02915	2.8
75.75855	1.0
77.82354	1.2
79.05491	4.0
81.03431	7.1
81.07056	7.1
82.02937	1.1
83.08622	1.2
84.08130	1.4
85.02908	82.4
86.09621	1.6
91.03962	1.7
91.05466	1.7
93.05775	2.2
94.06582	2.1
95.04976	4.6
97.02892	41.8
97.06490	1.3
98.97560	1.1
99.04451	3.7
103.03961	6.5
108.08112	12.4
109.02875	11.6
109.06511	1.8
110.06025	2.2
112.07573	2.9
115.03974	1.4
122.06013	6.8
123.04402	1.2
125.06004	6.7
126.05497	6.2
126.09161	4.4
127.03926	21.1
136.07581	20.3
140.07063	46.5
145.04959	13.9
150.09148	4.0
151.03893	2.0
152.07068	21.1
154.08635	6.0
163.06088	3.4
164.07069	22.0
178.08641	18.0
182.08128	100.0
202.45296	1.0
206.08133	43.2
218.08141	3.8
220.09674	1.7
236.09148	3.8
238.47037	1.2
241.03967	1.0
248.09201	13.2
284.11401	1.4
287.05090	1.3
302.07440	1.8
302.11365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78477	0.3
55.05513	0.6
56.05038	8.1
56.96561	1.1
57.07078	7.0
58.06593	0.6
59.04997	0.4
69.07080	0.5
69.43479	1.9
69.43890	0.5
70.06593	0.8
71.08632	4.0
72.08163	0.5
72.88588	0.3
74.06083	21.2
76.21568	0.3
78.55636	0.3
79.41411	0.3
81.07043	0.7
85.06540	0.7
85.10186	0.8
88.07635	63.5
95.08608	0.4
97.02857	0.4
98.97581	1.2
101.06055	0.3
102.09158	0.5
105.07024	0.4
106.08677	0.9
116.07083	4.3
116.98657	0.7
130.08649	1.1
134.08125	4.7
143.00221	0.4
171.35519	0.3
216.75359	0.3
219.01767	0.9
220.21866	0.3
237.02820	0.5
242.24799	22.2
278.96872	0.5
279.03897	0.7
284.25760	1.8
286.04300	0.6
287.05081	3.5
302.07422	4.6
302.26907	100.0
303.04926	0.9
303.27328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.0
57.03443	4.5
58.99848	4.2
61.02924	7.9
63.45455	3.8
69.03428	8.3
71.06238	4.9
71.06563	6.9
72.01461	4.6
73.02903	12.0
84.04477	4.0
85.02926	9.6
91.03919	5.5
95.04913	5.6
97.02884	5.7
98.97588	8.0
101.00894	21.0
102.01004	4.3
113.00862	4.9
119.01936	42.3
119.19147	3.9
127.02432	27.9
129.03967	7.1
131.01906	11.8
133.03490	11.0
137.02916	5.4
142.03496	4.9
142.72784	4.5
143.00124	4.8
143.01875	19.3
145.03482	75.9
147.05013	4.4
155.01920	10.9
157.03494	19.1
158.99980	5.2
160.00456	4.0
161.03000	22.8
163.04526	4.5
167.02913	8.3
169.03490	67.1
171.01408	4.7
171.05017	17.5
173.01187	5.1
173.03044	9.9
175.01843	4.3
177.00989	19.9
179.02921	14.9
180.53841	4.8
183.01344	4.8
187.02942	8.4
187.04500	62.6
189.02588	4.5
190.02620	7.5
195.05208	4.3
197.02946	28.2
200.98328	7.3
201.00864	9.4
201.02480	12.5
202.03221	6.8
203.04048	9.9
211.03867	9.5
213.02470	12.7
213.05989	5.7
215.04022	27.3
215.54132	6.2
219.02005	31.1
221.05107	19.2
222.06653	11.4
227.02518	14.7
228.02174	4.4
230.04408	5.2
231.03229	5.2
233.05103	9.9
238.95451	23.9
239.06171	10.1
243.02039	15.2
245.05270	7.3
251.06114	12.8
256.96609	74.6
257.05154	7.5
261.02982	87.1
261.97354	8.3
263.06113	16.0
267.02045	8.4
269.07111	6.6
271.00650	13.1
274.05429	11.3
274.97641	17.2
275.06143	16.4
276.04269	6.2
279.98254	56.3
280.01154	6.0
282.03375	7.4
283.05817	17.6
285.03180	5.9
297.03952	5.1
297.99365	8.9
298.98334	4.8
303.00952	15.1
303.05469	100.0
321.06210	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	303.0138
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
55.01875	0.4
56.96566	1.0
57.03442	0.7
61.02920	0.3
65.03944	0.2
67.05480	0.6
69.03428	1.3
69.07082	0.3
70.06585	0.5
71.05004	0.4
71.53219	0.6
73.02917	0.8
73.67245	0.3
77.79341	0.2
79.05512	0.7
81.03421	0.6
81.07053	0.5
83.04982	0.3
85.02909	1.4
86.09710	0.7
89.03935	0.5
91.05470	1.0
93.07072	0.6
95.04956	1.0
97.02891	1.3
98.97577	1.6
103.05481	0.4
107.04965	0.8
107.58378	0.3
109.02869	0.5
113.06035	0.4
116.98647	0.7
117.03423	0.7
119.04967	1.1
122.03630	0.4
122.06072	0.3
123.04437	6.3
123.08074	0.5
127.03944	0.6
129.03378	0.5
131.04953	0.4
134.53191	0.4
135.04433	0.9
135.08047	0.8
137.05992	5.6
139.03914	2.0
141.05424	1.4
141.09152	0.4
141.10242	2.9
145.02838	1.6
147.04428	4.9
151.03920	11.4
151.07509	0.4
153.01845	2.5
153.05487	0.7
153.09113	0.8
156.68831	0.3
157.02867	1.1
158.99648	0.4
161.06042	0.6
163.03896	1.6
165.05533	1.7
165.06776	0.3
170.34732	0.3
170.99677	0.4
171.02905	1.9
171.04184	0.4
171.10164	0.8
173.02390	4.2
173.05988	0.7
175.03935	1.1
177.02020	0.3
181.04985	1.0
183.00818	0.4
183.08110	0.3
185.02393	0.8
185.04012	0.3
187.81015	0.3
189.01942	0.3
191.03409	2.0
193.04984	0.8
199.25285	0.3
201.01862	9.4
203.03366	1.6
207.02959	0.6
207.06503	0.5
213.01888	1.3
215.89026	0.3
217.01302	0.5
217.08559	0.3
219.03156	1.6
229.01346	7.4
231.02815	1.7
241.01381	1.1
247.02438	7.3
257.00845	19.3
257.82272	0.3
259.02414	2.4
271.09695	0.3
275.01895	14.5
285.00330	12.3
285.07709	0.9
286.00992	0.5
303.01385	100.0
303.08475	4.9
303.10834	3.2
304.01685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73952	0.2
54.24191	0.2
67.11634	0.2
71.23152	0.3
74.60194	0.2
82.99849	0.3
88.99667	0.2
98.97606	1.1
101.00895	2.7
104.70829	0.2
115.95360	0.3
116.98615	0.5
119.01931	4.7
124.05097	0.2
134.99835	0.2
137.02975	0.3
140.98819	0.5
141.07187	0.2
145.62660	0.2
158.99889	2.1
165.99686	0.4
177.00969	8.3
178.01056	0.4
179.00826	0.3
182.99890	0.9
201.00970	2.5
217.04111	1.9
219.02034	16.4
220.02119	1.0
221.01849	0.6
225.00854	2.3
228.78154	0.2
243.02022	11.2
243.99548	0.2
244.02106	0.6
256.96652	0.7
261.03088	100.0
262.03235	5.1
263.03302	0.5
279.00693	0.9
282.99988	0.6
284.04611	1.9
284.99869	2.8
301.01083	0.8
303.00882	3.0
303.04367	2.2
303.20047	0.2
320.97433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01866	0.3
55.46273	0.1
59.43316	0.1
65.03936	0.5
67.01866	0.3
67.05508	0.3
68.99796	1.7
69.03419	0.2
69.58235	0.2
69.58645	0.3
81.03416	0.5
91.05478	0.1
93.03411	0.6
95.04996	0.6
97.02878	0.1
98.21503	0.1
105.03415	0.2
105.07038	0.1
107.04955	0.2
109.02889	0.9
109.19341	0.1
110.03690	0.1
111.00820	2.0
115.05450	0.2
117.07007	0.2
119.04965	0.1
121.02872	2.0
123.04442	0.7
127.03915	0.3
129.07034	0.2
131.04938	0.3
133.02881	0.2
133.06464	0.1
135.04431	0.5
137.02356	6.9
137.03386	0.4
137.05971	0.3
143.04868	0.1
145.02844	0.1
145.06500	0.6
147.04439	0.1
149.02347	0.8
151.03926	0.2
151.44345	0.1
153.01840	8.9
155.04903	0.8
155.06044	0.1
157.06541	0.1
159.04417	0.2
161.06033	0.6
163.03914	1.2
165.01848	3.7
166.02657	0.6
173.02284	0.1
173.06000	1.2
177.01837	0.3
177.05550	0.2
179.03409	0.3
183.02892	1.2
183.04459	0.9
184.05281	0.1
187.03911	0.9
191.03423	0.3
191.07095	0.2
193.05005	0.1
194.02182	0.1
195.02931	0.5
201.05489	3.8
205.05000	0.3
207.02873	0.2
211.03920	0.3
213.05542	0.3
215.03397	0.2
217.05090	0.1
219.03009	0.2
219.06644	0.5
228.04245	0.5
229.04977	8.4
230.05386	0.1
232.03717	0.1
233.04570	0.2
239.03474	0.3
245.04538	0.2
247.06024	1.2
254.99045	0.1
257.04468	4.9
258.05115	0.1
274.04791	1.4
275.05469	0.4
285.03986	2.1
286.04739	0.1
303.05008	100.0
304.05353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.1
55.01881	0.3
65.03935	0.5
67.01877	0.3
67.05505	0.2
68.99793	1.7
69.03434	0.2
70.86479	0.2
71.01342	0.1
79.01875	0.1
79.05504	0.1
81.03432	0.7
81.07072	0.1
83.01297	0.1
91.05487	0.1
93.03423	0.7
93.07010	0.1
94.58739	0.1
95.01366	0.1
95.04977	0.6
97.02925	0.1
103.05492	0.1
105.03390	0.2
105.07082	0.1
107.04974	0.2
109.02884	1.1
110.03664	0.2
111.00819	1.8
111.04446	0.1
115.05474	0.2
117.07025	0.3
119.04967	0.1
121.02876	2.0
121.28875	0.1
123.04434	0.7
127.03962	0.3
128.06256	0.1
129.06960	0.1
131.04900	0.3
133.02855	0.1
133.06497	0.1
135.04413	0.4
137.02353	7.2
137.05954	0.1
143.04953	0.1
145.02840	0.2
145.06511	0.6
149.02359	0.9
151.03908	0.1
153.01840	9.2
154.02168	0.1
155.04924	1.0
155.06058	0.1
157.06532	0.2
159.04404	0.2
161.05986	0.7
163.03922	1.3
165.01855	3.9
166.02646	0.5
167.03464	0.1
171.04451	0.1
173.02423	0.1
173.05992	1.4
177.01862	0.3
177.05515	0.2
179.03409	0.2
181.01381	0.1
183.02905	1.4
183.04460	0.9
184.05168	0.2
185.06007	0.1
187.03917	0.9
188.04669	0.1
189.05399	0.1
191.03447	0.3
191.07127	0.2
194.02132	0.1
195.02924	0.4
200.04700	0.2
201.05490	4.4
205.04971	0.4
207.02908	0.2
211.03947	0.3
213.05490	0.3
215.03397	0.1
217.04985	0.2
218.05858	0.1
219.02997	0.2
219.06570	0.5
228.04262	0.6
229.04982	9.1
230.05449	0.1
232.03752	0.2
233.04506	0.1
239.03450	0.5
243.02945	0.1
245.04628	0.1
246.05286	0.2
247.06042	1.3
256.03845	0.1
257.04465	5.3
258.05200	0.1
267.02988	0.1
274.04742	1.3
275.05515	0.4
285.03964	2.2
286.04712	0.1
303.05005	100.0
304.05365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
65.03931	0.4
67.01862	0.4
67.05508	0.2
68.99796	1.8
70.70102	0.3
80.26469	0.1
81.03419	0.6
84.32964	0.1
89.05558	0.1
93.03428	0.6
95.04980	0.5
97.02900	0.2
103.05428	0.1
105.03381	0.2
109.02890	0.8
110.03697	0.1
111.00812	1.5
117.07041	0.3
121.02877	1.6
123.04459	0.5
127.03902	0.4
128.06166	0.1
131.04961	0.3
133.02928	0.1
135.04471	0.6
137.02362	7.4
137.03409	0.5
137.05957	0.2
145.02852	0.2
145.06511	0.7
149.02382	0.7
153.01846	8.7
155.04912	0.9
155.06076	0.2
157.06471	0.2
159.04425	0.2
161.05995	0.5
163.03946	1.3
165.01857	3.8
166.02710	0.6
173.02309	0.2
173.06023	1.3
177.05533	0.3
179.03445	0.3
183.02895	1.2
183.04451	0.8
185.06029	0.1
187.03931	0.8
191.03426	0.3
191.07011	0.2
195.02905	0.4
201.05487	3.8
205.04982	0.3
207.02887	0.2
211.03896	0.4
213.05569	0.2
215.03429	0.2
217.04982	0.2
219.03061	0.3
219.06548	0.5
228.04199	0.4
229.04996	7.8
232.03806	0.2
239.03473	0.3
245.04567	0.1
247.06049	1.0
252.18269	0.1
257.04489	4.6
274.04782	1.1
275.05505	0.4
285.03983	2.2
303.05026	100.0
304.05359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03944	0.2
54.51536	0.2
55.01866	0.2
55.77631	0.1
65.03926	0.3
67.01855	0.4
67.05495	0.3
68.99790	1.7
70.88612	0.3
76.81514	0.2
81.03402	0.6
93.03394	0.7
95.04962	0.7
97.02888	0.2
107.04945	0.2
109.02856	0.8
111.00809	1.7
114.24618	0.2
115.05464	0.2
117.06967	0.3
121.02864	1.9
123.04427	0.7
126.24694	0.2
127.03909	0.4
131.04951	0.2
132.95561	0.1
135.04408	0.4
137.02347	6.7
137.03383	0.5
145.02835	0.2
145.06454	0.5
149.02379	0.5
151.03905	0.2
153.01833	9.4
155.04910	0.6
159.04401	0.3
161.05972	0.8
163.03920	1.2
165.01855	3.6
166.02609	0.5
173.02362	0.2
173.06039	1.3
179.03484	0.3
183.02884	1.1
183.04430	0.6
184.18538	0.2
187.03964	0.7
191.03374	0.2
195.02991	0.2
201.05481	3.8
205.05022	0.4
207.02823	0.2
211.03865	0.4
213.05583	0.3
219.02896	0.3
219.06567	0.5
228.04202	0.5
229.04968	8.2
232.03741	0.3
239.03447	0.4
247.06075	1.0
257.04480	4.5
274.04807	1.2
275.05426	0.4
285.03958	2.0
303.04996	100.0
304.05417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01863	0.3
55.52668	0.1
56.75357	0.1
65.03931	0.5
67.01864	0.2
67.05492	0.2
68.99786	1.9
69.03416	0.2
70.93414	0.1
70.93738	0.2
78.21809	0.1
81.03402	0.5
93.03398	0.6
94.10848	0.1
95.04961	0.7
103.05489	0.1
105.03404	0.1
105.07015	0.1
107.04945	0.2
109.02891	1.0
111.00791	1.7
117.07024	0.3
121.02865	1.9
123.04408	0.7
126.45685	0.1
127.03947	0.3
129.06984	0.1
131.04936	0.4
133.02831	0.2
135.04396	0.4
135.55003	0.1
137.02348	7.6
137.03400	0.5
137.05977	0.3
145.02873	0.3
145.06500	0.6
147.36115	0.1
148.80399	0.1
149.02365	0.8
153.01834	9.7
155.04938	1.0
155.06062	0.2
157.06528	0.1
159.04393	0.4
161.05991	0.4
163.03900	1.1
165.01837	3.6
166.02606	0.6
173.02335	0.2
173.06001	1.3
177.01823	0.3
177.05498	0.2
179.03392	0.5
183.02879	1.4
183.04430	0.9
185.05910	0.2
187.03860	0.9
191.03481	0.3
191.07153	0.1
195.02911	0.3
200.04842	0.1
201.05469	4.3
205.05017	0.2
207.02887	0.1
211.03850	0.2
213.05444	0.4
215.03346	0.3
219.03041	0.1
219.06560	0.8
228.04184	0.5
229.04962	8.9
239.03391	0.3
247.05992	1.2
256.10825	0.2
257.04456	5.2
267.02979	0.1
274.04727	1.4
275.05435	0.3
285.03989	2.2
303.04993	100.0
304.05325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.1
68.79569	1.4
70.46745	4.9
84.90840	1.3
85.02905	3.7
88.12217	1.6
98.97588	100.0
110.97594	1.5
116.98627	21.1
128.98599	2.5
134.63335	1.5
134.99684	2.2
138.72182	1.3
141.05310	5.2
157.50429	1.3
158.99666	52.8
177.00714	23.8
195.01697	1.7
211.15933	1.4
219.01752	13.5
237.02885	2.3
275.01920	1.7
303.01324	11.2
303.08121	14.4
303.10645	13.5
321.08691	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	303.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	8.5
70.68063	12.6
85.02910	7.6
97.02890	6.3
107.76807	6.3
149.14568	5.5
149.22888	5.5
184.05046	5.3
303.01242	13.4
303.08157	68.8
303.10657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0866
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02390	0.6
53.03946	1.3
54.00335	0.5
55.01874	2.4
57.75314	0.6
62.89591	0.5
65.03935	1.1
66.20507	0.6
67.05508	2.3
68.99787	1.0
69.03428	1.5
70.81010	0.6
70.81322	0.8
77.03938	0.7
79.05499	1.5
81.03428	1.8
83.04996	0.6
85.02911	1.4
91.05501	3.1
93.03400	0.6
93.51823	0.5
95.04973	4.1
97.02882	1.5
98.97536	0.6
105.03391	2.1
107.04951	1.7
109.02872	3.1
111.04447	1.4
119.04945	9.2
121.02891	1.1
121.06512	0.8
122.03662	1.3
123.04440	52.1
127.03877	1.2
133.06471	1.4
135.04420	4.1
137.02361	1.6
137.05988	12.7
139.03914	16.9
143.04942	1.9
147.04420	26.7
149.05966	1.3
150.84996	0.6
151.03917	100.0
153.05510	2.9
153.06581	0.6
161.06013	5.7
163.03951	6.1
165.05519	10.0
165.06946	1.0
167.07060	29.2
169.06508	0.8
173.06015	4.9
175.03922	1.4
175.07663	0.8
179.03418	1.1
179.07054	2.9
181.04979	8.3
189.05469	2.2
193.04977	5.8
193.08659	0.8
197.05998	1.3
207.06563	4.6
211.07536	1.4
211.09561	1.2
215.07079	2.2
217.08604	1.9
227.36136	0.5
229.71591	0.6
243.06657	1.4
257.07944	0.8
267.06592	0.9
285.07574	5.2
303.01416	1.8
303.08658	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	303.0864
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02377	0.5
53.03936	1.1
55.01869	3.6
65.03947	1.3
67.05501	1.9
68.99803	1.4
69.03429	1.3
69.07057	0.4
69.48728	1.9
69.49134	0.7
70.06601	0.5
74.39565	0.4
77.03934	1.1
79.01839	0.7
79.05489	1.4
81.03433	1.8
83.01341	0.4
83.04978	0.9
83.35311	0.4
83.77110	0.3
85.02911	1.9
91.05479	3.1
93.03418	1.1
93.07043	0.5
94.04192	0.5
95.04971	4.1
97.02908	1.6
98.20686	0.5
98.97597	0.6
103.05437	0.4
105.03391	2.3
107.04946	1.2
109.02902	3.2
111.04443	1.5
115.05479	0.7
119.04945	8.6
119.20121	0.4
121.02886	1.0
122.03683	2.0
123.04435	52.1
127.03929	1.0
128.98619	0.3
131.04929	0.8
133.02864	0.6
133.06435	0.4
135.04413	3.7
137.02361	1.4
137.05980	29.8
139.03911	19.5
141.07040	0.5
142.08635	0.5
143.04927	1.6
144.10269	0.5
145.06512	0.4
147.04416	27.7
149.05965	0.9
151.03908	100.0
151.96437	0.4
152.04236	0.8
153.01831	1.1
153.05469	3.3
153.06851	0.7
159.04475	0.5
161.05995	6.0
163.03928	6.9
165.05486	10.2
165.06885	0.7
167.07047	4.1
168.05753	0.4
169.06477	1.0
173.05978	4.4
175.03928	1.6
175.07574	0.6
177.05507	1.3
179.03438	1.0
179.07043	2.2
181.04988	7.6
181.06473	0.9
183.08260	1.3
187.07588	0.9
189.05518	2.4
193.04970	5.7
193.06508	0.7
197.06049	1.6
199.07526	0.5
201.05479	0.6
207.06549	4.9
211.07538	1.4
215.07031	1.5
217.08665	2.0
225.05695	0.4
239.07027	1.4
243.06541	1.4
243.10378	0.5
257.00708	0.6
257.08160	0.6
261.07623	0.6
267.06393	0.8
271.04785	0.6
271.09576	0.8
275.02136	0.7
282.08566	0.4
285.00339	0.6
285.07578	5.6
285.10974	0.4
285.12268	0.7
303.01660	3.1
303.08636	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	303.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
56.96556	3.9
57.03437	1.8
58.01642	0.8
61.02915	3.0
65.09612	0.9
69.03437	4.9
69.94310	3.6
70.06606	1.1
71.04976	1.5
73.02921	1.9
81.03399	3.0
84.96027	1.6
85.02911	12.8
85.06530	1.5
87.04481	1.5
92.09384	0.9
93.74307	1.0
95.04984	1.2
95.31494	1.0
97.02898	5.5
98.97595	16.5
109.02856	7.5
109.24072	0.9
110.97557	3.5
112.07587	1.1
113.00883	0.8
113.07891	1.3
116.98606	3.3
118.31042	1.0
119.01897	1.2
119.04889	2.3
123.04435	6.6
124.07587	3.5
127.03905	3.3
128.98582	2.2
137.05969	7.4
139.03880	2.9
140.03362	1.9
140.07050	1.8
140.98663	1.0
141.03777	2.6
141.05240	41.8
142.08658	1.0
145.04953	2.0
146.99602	1.2
147.04390	3.8
151.03900	11.8
153.01880	1.3
153.05482	2.2
153.09138	1.0
155.01906	1.0
158.99649	5.4
159.03267	1.4
161.03012	0.8
161.04657	3.2
163.03917	1.5
165.05470	3.0
170.05190	1.3
173.02361	1.8
177.00710	3.7
177.05670	1.4
181.04889	1.1
182.03282	1.1
185.04207	12.7
201.01775	4.0
201.06047	3.6
203.03571	1.7
203.05273	11.8
207.06534	1.9
212.06093	0.9
219.01733	7.9
229.01270	4.0
233.06816	1.3
237.02774	5.2
243.07251	1.1
247.02419	3.2
257.00812	9.4
257.77365	1.1
259.27985	1.0
261.02856	1.0
261.06039	0.9
275.01865	7.0
280.07663	1.1
285.00272	6.1
303.01367	49.6
303.10657	100.0
304.01627	1.7
321.08563	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	303.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01873	0.9
55.05510	1.2
65.03937	1.1
66.04723	0.7
67.01910	0.6
67.05503	2.4
68.99790	1.9
69.03425	1.3
69.07079	3.2
70.06597	0.5
70.77403	1.3
71.05000	0.7
79.05488	2.8
81.03429	1.8
81.07064	6.4
83.04974	0.7
83.08616	0.7
85.02909	0.7
85.06554	0.6
91.05502	3.4
93.03416	0.8
93.07056	4.5
94.04197	2.1
95.04998	2.5
95.08607	4.3
97.02918	0.9
97.06590	0.6
97.10160	0.5
97.66837	0.4
98.97575	0.7
99.08096	0.7
103.05473	1.1
105.07040	4.2
107.04997	0.9
107.08582	3.5
109.02876	1.6
109.06491	1.2
109.10154	3.2
111.00818	1.5
111.04436	0.7
111.08044	0.5
113.09669	0.6
117.07037	1.5
119.04943	0.5
119.08598	3.7
121.02866	2.2
121.06501	1.7
121.10170	4.4
122.03665	6.4
123.04459	2.0
123.08076	0.9
123.11713	1.7
125.09641	0.7
127.03928	1.0
129.07014	0.6
131.04932	1.1
131.08588	1.1
133.10150	2.0
135.04457	0.8
135.08047	1.5
135.11726	1.5
137.02380	7.3
137.05986	97.9
137.13304	0.5
138.09160	0.4
141.09138	0.5
143.08621	0.7
145.06517	0.4
145.10135	2.7
147.04425	1.3
147.11665	2.2
149.02382	0.6
149.06042	1.1
149.09644	0.9
149.13312	1.1
151.03937	2.2
151.07587	1.2
153.01833	9.9
153.05504	0.8
153.07007	1.5
155.04922	1.0
155.08652	0.5
157.10172	0.6
159.11737	1.8
161.06064	0.9
161.09621	0.7
161.13261	1.3
163.03929	1.7
163.07542	0.8
163.11227	1.3
165.01839	3.3
165.05635	0.7
165.07037	1.5
165.12808	0.5
166.02676	0.7
171.11746	1.1
173.06029	1.8
173.13307	1.6
175.11160	0.8
179.03365	0.4
181.06512	1.0
183.02896	2.2
183.04474	1.0
183.08047	1.2
183.11662	0.5
187.03897	0.8
187.14809	1.0
189.16330	0.6
191.03424	0.5
197.13240	0.5
199.14902	0.6
201.05476	4.0
205.05083	0.4
205.15910	0.8
211.07564	1.5
211.14862	0.9
222.08263	0.8
225.09071	0.7
228.04332	0.8
229.04961	8.9
243.10204	1.1
247.06068	1.0
253.08614	0.7
256.08746	0.5
257.04428	4.9
267.21143	0.6
271.09665	1.7
273.11108	1.0
274.04697	1.2
285.03925	1.8
285.12112	1.4
285.22153	2.2
303.05011	100.0
303.23184	12.0
304.05347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01873	0.9
55.05510	1.2
65.03937	1.1
66.04723	0.7
67.01910	0.6
67.05503	2.4
68.99790	1.9
69.03425	1.3
69.07079	3.2
70.06597	0.5
70.77403	1.3
71.05000	0.7
79.05488	2.8
81.03429	1.8
81.07064	6.4
83.04974	0.7
83.08616	0.7
85.02909	0.7
85.06554	0.6
91.05502	3.4
93.03416	0.8
93.07056	4.5
94.04197	2.1
95.04998	2.5
95.08607	4.3
97.02918	0.9
97.06590	0.6
97.10160	0.5
97.66837	0.4
98.97575	0.7
99.08096	0.7
103.05473	1.1
105.07040	4.2
107.04997	0.9
107.08582	3.5
109.02876	1.6
109.06491	1.2
109.10154	3.2
111.00818	1.5
111.04436	0.7
111.08044	0.5
113.09669	0.6
117.07037	1.5
119.04943	0.5
119.08598	3.7
121.02866	2.2
121.06501	1.7
121.10170	4.4
122.03665	6.4
123.04459	2.0
123.08076	0.9
123.11713	1.7
125.09641	0.7
127.03928	1.0
129.07014	0.6
131.04932	1.1
131.08588	1.1
133.10150	2.0
135.04457	0.8
135.08047	1.5
135.11726	1.5
137.02380	7.3
137.05986	97.9
137.13304	0.5
138.09160	0.4
141.09138	0.5
143.08621	0.7
145.06517	0.4
145.10135	2.7
147.04425	1.3
147.11665	2.2
149.02382	0.6
149.06042	1.1
149.09644	0.9
149.13312	1.1
151.03937	2.2
151.07587	1.2
153.01833	9.9
153.05504	0.8
153.07007	1.5
155.04922	1.0
155.08652	0.5
157.10172	0.6
159.11737	1.8
161.06064	0.9
161.09621	0.7
161.13261	1.3
163.03929	1.7
163.07542	0.8
163.11227	1.3
165.01839	3.3
165.05635	0.7
165.07037	1.5
165.12808	0.5
166.02676	0.7
171.11746	1.1
173.06029	1.8
173.13307	1.6
175.11160	0.8
179.03365	0.4
181.06512	1.0
183.02896	2.2
183.04474	1.0
183.08047	1.2
183.11662	0.5
187.03897	0.8
187.14809	1.0
189.16330	0.6
191.03424	0.5
197.13240	0.5
199.14902	0.6
201.05476	4.0
205.05083	0.4
205.15910	0.8
211.07564	1.5
211.14862	0.9
222.08263	0.8
225.09071	0.7
228.04332	0.8
229.04961	8.9
243.10204	1.1
247.06068	1.0
253.08614	0.7
256.08746	0.5
257.04428	4.9
267.21143	0.6
271.09665	1.7
273.11108	1.0
274.04697	1.2
285.03925	1.8
285.12112	1.4
285.22153	2.2
303.05011	100.0
303.23184	12.0
304.05347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01864	0.7
56.96556	0.3
57.03435	0.4
65.03936	1.2
67.01851	0.4
67.05510	1.2
68.99794	2.5
69.03411	1.0
69.07069	1.1
70.06549	0.3
71.04980	0.4
71.53824	0.2
71.54194	0.2
72.08163	0.3
73.02911	0.3
77.03921	0.4
78.56285	0.2
79.05497	1.1
80.37395	0.2
81.03401	1.4
81.07042	0.9
82.06559	0.4
83.04968	0.3
84.04501	0.3
85.02897	0.8
85.06544	0.4
89.03926	0.3
89.76992	0.2
91.05490	1.2
92.05003	0.4
93.03407	0.6
93.07033	0.4
94.06561	1.2
94.53748	0.2
95.04971	2.1
95.08590	0.6
96.08149	0.2
97.02877	0.8
97.06521	0.5
98.97578	0.9
99.04491	0.4
99.08073	0.3
101.00938	0.2
103.05434	0.4
105.03403	0.3
105.06999	0.4
106.06529	0.9
107.04964	1.2
107.07343	0.3
107.08597	0.5
109.02879	1.5
109.06506	0.6
109.10156	0.5
110.06045	3.6
111.00814	1.5
111.04440	0.4
112.07590	0.7
113.06058	0.3
113.71076	0.3
116.04929	0.4
116.98611	0.3
117.07021	0.4
118.06567	0.3
119.01933	0.3
119.04995	0.2
119.08566	0.3
120.04468	6.2
121.02878	2.4
121.06482	0.4
121.10178	0.2
122.03603	0.3
122.06036	2.0
123.04430	3.3
124.07622	2.4
127.03915	1.0
129.07033	0.4
131.04938	1.3
131.08542	0.2
134.06006	1.9
135.04420	1.1
136.07573	0.5
137.02347	7.6
137.03400	0.5
137.05978	5.3
139.03906	3.1
140.07072	3.9
141.05487	0.9
141.07860	3.6
142.08638	8.9
143.01941	0.4
143.04974	0.3
143.08566	0.2
144.04462	0.6
145.04892	0.2
145.06485	0.8
145.10110	0.3
147.04410	0.9
149.02377	1.2
149.06012	0.6
149.09505	0.3
151.03912	2.8
153.01834	9.7
153.05406	0.3
154.08617	0.9
154.12239	0.3
155.04889	1.0
155.06029	0.2
155.08626	0.2
158.99620	0.3
159.04532	0.4
161.02869	0.3
161.05980	0.9
161.09590	0.2
162.05505	60.1
163.03899	1.7
163.06215	1.0
163.07568	0.8
164.07057	0.8
165.01825	3.3
165.05478	0.7
165.09212	0.2
166.02654	0.5
173.06032	1.5
177.05469	0.4
179.03571	0.2
181.05023	0.3
183.02879	1.7
183.04460	0.9
183.08080	0.4
187.03908	0.8
191.03444	1.4
193.05025	0.3
195.02895	0.4
197.05968	0.2
201.05487	3.9
205.04950	0.6
211.07465	0.6
213.05704	0.3
215.03468	0.2
216.10197	0.9
217.13380	0.5
219.02884	0.3
219.06471	0.5
222.31146	0.3
228.04163	0.5
229.04971	8.7
230.08212	0.3
239.03484	0.6
243.11197	0.9
244.09761	0.8
246.05199	0.4
247.05994	1.4
251.07469	0.4
257.00690	0.3
257.01602	0.4
257.04462	5.1
258.11270	1.4
261.12341	4.7
274.04782	1.4
275.05435	0.3
279.13287	1.9
285.00983	0.3
285.03949	1.7
285.07349	0.4
285.12360	1.5
286.10776	2.0
288.05145	0.2
302.60294	1.0
303.04999	100.0
303.13281	9.7
304.05353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
53.24046	0.7
55.01881	1.1
55.05507	1.3
57.03443	4.5
58.06597	1.0
60.04520	6.5
61.02916	3.5
69.03432	12.8
69.07067	39.1
70.06568	0.7
70.81754	1.0
70.82061	1.1
71.01345	1.0
71.04965	1.1
71.08633	18.6
73.02920	2.5
81.03419	7.4
83.08610	1.1
84.04496	2.8
85.02907	60.8
86.02421	3.9
91.03966	0.9
96.04438	1.1
96.08172	3.8
97.02895	37.7
97.06534	5.3
99.04459	2.8
103.03952	5.7
109.02880	12.5
110.02456	1.1
114.09169	18.9
123.04474	1.3
124.04737	1.4
124.07589	1.1
127.03922	15.9
137.05972	3.0
138.06319	2.3
138.09169	3.3
139.03947	1.1
142.08635	100.0
145.04953	8.1
148.04756	1.3
151.03932	2.3
152.04286	2.5
153.01802	1.6
154.08670	1.0
156.10207	2.8
158.16339	0.9
163.06015	1.1
166.08607	1.5
180.10204	1.4
184.09695	74.3
208.09679	15.5
220.09648	1.8
223.07631	1.1
238.10764	2.4
242.09256	1.0
245.36290	0.8
250.10773	8.7
252.83345	0.7
268.11765	1.5
274.29996	0.8
286.12881	2.1
304.05603	0.9
304.08871	2.2
304.14349	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01845	0.3
55.05496	0.7
56.96548	0.3
57.03428	0.7
57.03708	0.2
57.45929	0.2
58.22117	0.2
58.81581	0.2
61.02914	0.8
67.05511	0.3
68.05038	0.3
69.03431	2.6
69.07050	0.3
69.69812	1.1
73.02913	0.4
79.05495	4.3
80.05012	0.6
81.03403	0.8
81.05801	3.0
81.07060	4.3
82.02953	0.5
82.06582	0.7
83.04950	0.3
85.02908	5.6
86.06059	0.3
87.04460	0.5
94.06580	0.7
95.04971	0.6
96.04494	1.4
96.08133	7.2
97.02891	1.5
98.00717	0.2
98.06059	0.3
98.97567	0.7
99.04427	0.3
106.06560	0.5
107.04954	0.5
109.02865	0.7
109.05253	0.6
110.97629	0.3
112.07614	0.7
115.91566	0.3
124.07594	100.0
125.07904	0.5
127.03899	0.9
137.06012	0.5
142.08638	21.7
143.94063	0.2
145.04984	0.6
153.01971	0.3
166.08723	0.3
193.04469	1.0
213.39926	0.2
244.18330	0.3
260.90234	0.3
304.01755	0.8
304.10779	1.1
304.14038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01317	0.3
55.05503	0.7
57.07083	6.9
57.65775	0.4
58.06588	1.4
67.05494	0.4
68.05003	0.5
69.03436	0.4
69.07069	0.6
70.06601	14.5
71.08638	2.1
72.08150	0.6
81.07045	1.0
84.30475	0.4
85.02874	0.4
85.06544	3.9
86.09709	0.5
87.04472	1.9
88.07639	20.6
93.07070	0.4
95.08604	1.1
97.02917	0.9
98.03226	0.4
98.09700	0.6
99.08087	0.6
102.09191	12.5
109.10164	0.5
113.06024	3.2
114.60011	0.4
132.10179	0.8
143.72942	0.4
147.04431	0.4
150.11327	0.5
198.22156	1.1
202.19675	0.3
230.46797	0.6
242.24814	42.4
264.10373	0.4
269.17529	0.9
271.41452	0.4
286.27350	2.6
304.05307	2.8
304.28485	100.0
305.28879	0.6
309.58047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05521	1.2
56.96568	60.1
65.03934	2.0
67.05503	2.7
68.99795	2.2
69.03426	3.3
69.07072	3.5
71.04993	1.9
71.53906	1.2
71.95265	3.0
72.96033	1.2
74.97560	1.0
79.05498	1.6
81.03411	1.7
81.07053	1.6
83.08616	2.7
84.04474	1.3
84.96033	8.3
85.02908	2.9
91.05476	5.0
93.07036	2.7
94.06552	1.2
95.04984	2.6
95.08590	1.2
96.93013	1.0
97.02919	1.5
97.06513	2.1
98.97587	94.0
102.97084	1.4
105.07037	1.9
107.08578	2.9
109.02862	2.3
110.97577	58.5
111.04444	4.6
112.99139	63.2
116.04942	1.7
116.98626	42.2
118.06534	3.1
119.08534	1.1
120.08115	8.8
122.06001	2.7
123.04421	8.3
124.99114	25.5
125.05956	1.1
125.09656	2.1
127.00679	6.6
127.03897	1.3
128.98611	54.5
129.07066	1.1
131.00177	82.0
134.99677	8.4
135.08163	1.3
136.07597	1.8
137.05960	1.7
138.09135	1.4
139.03914	9.6
140.00195	1.4
140.07079	2.3
140.98611	2.0
143.00174	54.6
143.10701	1.8
144.98108	2.7
145.01746	6.0
146.06015	3.6
146.99657	24.8
147.04497	1.3
147.06789	2.6
148.07559	3.1
149.01230	41.6
149.02281	2.2
150.48146	1.1
151.00629	2.1
152.00194	2.4
153.01871	2.5
154.01761	4.5
155.03375	3.5
158.99648	7.2
161.01227	41.8
161.06007	2.4
162.99113	1.7
163.02748	1.9
163.03983	1.5
164.07069	18.0
165.00699	2.8
165.09079	1.6
166.01797	1.4
167.02267	2.7
167.03500	1.6
169.01758	7.5
170.99672	9.0
172.02808	1.9
173.01242	13.3
177.00688	6.5
179.02255	3.3
182.99629	2.3
185.01225	62.7
187.02782	13.3
189.00723	12.7
191.02267	9.7
201.00760	5.2
203.02280	100.0
205.03879	3.3
213.13890	2.1
221.03328	28.0
226.03885	6.9
227.02287	12.5
241.04819	1.3
242.11649	2.6
243.14935	4.4
245.03333	22.4
245.12859	2.5
259.06122	2.6
259.14334	2.9
261.16086	3.3
263.04446	7.6
268.04913	1.1
269.12845	4.4
270.11298	3.5
273.12347	4.6
287.05304	2.0
287.10522	2.1
287.13895	21.1
289.06650	1.2
305.05801	2.8
305.11633	2.3
305.14926	24.0
305.18079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	3.9
57.03429	1.4
61.02929	2.9
69.03434	3.8
69.70464	1.7
69.70879	2.0
70.06609	1.5
70.98125	2.5
80.51139	0.6
81.03429	2.0
82.75429	0.6
84.96038	0.6
85.02911	10.1
87.74392	0.6
93.54828	0.6
97.02898	18.5
98.97603	5.5
99.04461	0.6
101.00910	3.3
103.02412	0.7
109.02917	1.6
115.02416	0.9
116.98643	2.4
119.01962	2.6
124.95503	0.7
125.02361	58.3
125.40113	0.7
127.02435	0.8
127.03953	2.6
128.98656	1.2
131.01929	1.8
133.03497	1.1
143.02042	1.5
143.03407	52.0
145.01752	1.0
145.03508	2.2
145.04980	1.7
146.98309	0.7
146.99507	0.8
155.01924	2.9
157.03555	1.2
161.03030	2.3
161.06616	3.2
170.95982	0.7
172.97618	1.1
173.03055	2.0
185.02950	1.8
185.06631	1.3
188.97141	1.3
190.95331	0.8
190.98672	1.6
201.06082	0.8
203.04053	2.7
203.05907	0.8
203.07634	3.2
215.07687	4.2
221.05066	1.1
230.98143	1.5
239.07819	0.9
244.99815	1.3
245.05128	3.9
251.32574	0.8
263.00839	1.8
263.06152	1.0
281.01816	1.3
305.02164	1.8
305.12097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	7.1
61.02913	0.3
62.95445	0.3
69.03432	1.2
69.79541	1.2
70.98124	3.8
71.95265	1.0
72.96031	0.3
73.02916	0.6
75.85047	0.3
76.42823	0.3
77.54004	0.3
77.98225	0.2
79.33636	0.2
81.03448	0.5
82.99899	0.5
84.96044	0.6
85.02917	2.0
85.06549	0.9
87.04482	0.4
88.20422	0.2
88.99178	0.5
97.02917	1.9
98.97594	12.3
101.00900	2.5
109.02876	0.3
110.97600	1.0
112.99154	0.7
113.00852	1.6
113.04538	0.8
115.00726	0.6
115.02433	1.3
115.08649	0.3
116.98640	3.5
119.01926	2.0
120.86625	0.3
124.95490	1.6
124.99108	0.4
125.02356	2.8
127.02448	0.6
127.03989	0.7
128.98619	0.9
129.03943	0.6
131.00192	0.4
131.01903	1.7
131.05559	5.2
131.06525	0.4
132.02707	0.3
133.03479	1.4
134.99675	0.7
136.06198	0.6
136.61699	0.2
140.98657	0.3
141.04054	0.3
142.96605	0.7
143.00214	0.7
143.01938	1.4
143.03418	3.2
143.05595	0.7
143.06870	0.3
143.08179	1.2
145.01772	0.5
145.03522	1.0
145.04987	0.4
146.99706	0.6
147.05110	0.7
149.06610	3.3
152.95038	0.7
154.96597	0.4
155.01894	2.2
155.05539	0.6
156.02698	0.3
156.98151	0.7
157.03529	1.0
158.99738	1.2
159.05115	0.7
161.01256	0.5
161.03040	1.6
161.06592	3.4
162.99200	0.3
170.95979	2.1
172.97635	1.2
173.02914	1.9
173.06613	2.8
174.99245	0.9
177.00833	0.6
177.06081	0.5
179.07742	0.4
184.97571	1.4
185.03033	0.9
185.06604	3.2
185.07901	0.3
186.99205	0.8
187.00835	0.3
187.04697	0.4
187.08244	0.7
188.97090	3.5
188.98692	0.3
189.00789	1.2
190.98755	0.7
191.02434	0.5
193.00209	0.6
197.06647	1.2
199.08206	0.9
202.98663	2.0
203.04068	2.5
203.07664	5.7
205.00293	0.8
206.98232	0.8
209.06648	1.0
212.97223	0.8
214.98720	0.6
215.07652	7.8
217.00267	0.7
217.09322	1.0
219.01944	0.7
219.74234	0.3
220.99800	1.2
221.05045	2.7
224.07054	0.4
227.07758	0.8
229.77640	0.3
230.98169	4.3
232.99815	0.9
235.01341	0.4
237.02969	0.4
239.07695	1.4
244.99825	1.5
245.05125	2.3
245.08806	1.1
248.99205	2.8
257.08820	0.9
259.01465	0.4
263.00644	2.7
263.06287	0.5
267.00354	0.4
273.04871	0.7
275.09991	1.6
281.01880	1.6
287.09967	0.4
305.12097	100.0
306.12262	0.6
323.06613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1597
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03934	1.6
53.05231	1.2
55.01870	3.5
55.05501	6.0
56.96563	3.0
57.03434	6.3
57.07074	2.9
58.34257	1.1
58.34581	1.1
59.04979	2.0
61.02917	5.3
67.05509	2.4
69.03430	17.2
69.07075	1.7
69.61896	6.1
69.62304	1.9
71.04996	31.2
73.02944	2.1
73.06558	5.0
74.05714	1.9
74.06090	21.3
78.96659	1.1
79.05496	6.2
81.03413	8.3
81.07057	4.6
83.04991	8.2
83.08624	6.4
84.04488	2.0
85.02914	28.8
85.06548	17.0
86.28174	1.2
91.05476	3.9
95.04979	12.7
95.08617	2.4
97.02885	10.0
97.06492	1.7
97.10183	14.2
98.21471	2.9
98.97570	6.1
99.04436	2.3
103.03948	2.2
105.07034	4.6
106.02493	1.2
107.04931	1.3
107.08608	53.2
109.02885	3.6
109.06551	1.9
116.07105	7.6
116.98663	2.2
120.06578	5.7
123.04440	3.5
123.08050	1.4
125.09641	98.9
127.03911	5.1
131.08540	1.7
137.05959	2.2
137.09631	4.5
143.07037	2.3
143.10686	100.0
144.06592	5.9
145.04939	4.7
153.01826	7.7
154.08626	2.3
158.99637	1.6
161.06055	2.3
162.07652	4.0
167.10695	13.9
209.11673	2.8
237.02762	1.3
238.29013	1.4
251.12671	1.4
267.17917	1.6
287.10385	1.9
305.11438	5.4
305.15326	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03938	4.9
55.01878	3.0
55.05514	23.6
56.96553	3.0
57.03417	4.4
57.07085	7.3
59.05003	4.2
61.02905	2.1
67.05505	31.3
69.03439	11.4
69.07069	49.7
71.01363	2.0
71.05000	19.8
71.54294	2.3
79.05063	2.5
79.05496	34.4
81.03426	4.1
81.07059	90.8
83.04982	8.4
83.08621	8.9
83.98939	1.5
85.02901	5.1
85.06538	9.4
87.04519	1.5
91.05483	24.8
93.07048	100.0
95.01357	3.6
95.04984	12.4
95.08607	71.7
97.02911	2.4
97.06544	8.6
97.10149	5.7
98.97588	3.1
99.04433	2.4
99.08116	1.9
103.05495	2.3
105.07037	42.0
107.04977	2.4
107.08601	90.6
109.02885	3.3
109.06519	7.5
109.10157	44.8
111.08084	5.3
111.11713	7.0
113.06033	1.6
117.07028	4.0
119.08589	37.6
121.06516	5.4
121.10151	93.6
123.08087	4.9
123.11709	33.6
125.05997	5.0
125.09638	10.3
126.09180	1.8
127.03925	2.6
129.07018	1.9
131.00192	2.1
131.08554	8.1
133.10150	26.2
135.08072	4.6
135.11691	53.0
137.06006	4.4
137.09634	7.9
137.13280	6.7
139.07573	2.8
139.11191	12.2
143.06972	1.6
143.08562	3.8
143.10684	6.9
145.10123	15.7
147.11697	23.7
149.09624	3.6
149.13272	20.0
151.03879	1.7
151.07562	2.4
151.11189	9.5
153.01810	1.6
153.12741	4.7
155.10812	1.6
156.09372	1.5
157.10127	6.1
159.11690	13.1
161.09662	2.7
161.13293	10.5
163.11156	13.0
163.14819	5.2
165.05495	3.6
165.09100	2.2
165.12814	7.7
167.10727	7.6
171.11668	4.0
173.13251	10.5
175.11331	2.1
175.14851	7.3
177.12759	6.5
177.16370	5.3
179.10620	2.0
181.12256	10.6
185.13269	5.0
187.14830	5.8
189.16359	4.2
191.02400	1.7
191.14253	2.6
193.15770	2.1
195.13777	1.7
199.14799	3.7
201.16374	3.8
203.14211	1.9
203.18034	5.0
205.15926	2.7
207.17444	2.4
213.16397	4.5
227.17845	2.6
229.19647	2.8
231.17487	2.6
235.16905	2.0
243.20786	1.6
245.05275	2.6
259.24213	2.5
261.22086	2.2
269.22632	7.9
277.25461	1.6
287.23642	22.6
305.05594	9.3
305.14377	1.8
305.17599	3.3
305.24759	68.7
306.25504	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02997	5.0
55.05504	4.1
56.96556	2.3
57.07068	1.9
67.05507	0.7
69.07063	2.1
69.75813	0.5
70.47552	1.1
70.47916	1.3
71.08604	0.9
73.06182	0.7
73.06562	10.4
79.30168	0.5
81.07045	1.4
81.30051	0.7
83.08627	3.7
86.03555	53.9
95.08582	0.8
98.03540	100.0
105.07056	0.8
107.08598	0.7
109.10141	1.0
112.05035	2.7
123.11742	0.6
125.01547	27.8
126.06641	8.2
130.07794	1.4
137.05991	6.7
139.03090	5.2
140.08186	2.3
145.12216	1.6
151.03076	4.2
153.04594	0.9
154.09621	0.6
165.04675	11.4
168.11307	1.3
179.06256	1.7
219.20656	0.5
221.10939	2.6
225.25613	0.6
250.07378	1.4
255.39845	0.6
306.13669	52.3
306.29135	1.4
307.13821	0.7
311.94202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.3
69.07079	1.6
69.08031	0.3
70.70105	0.5
70.70483	0.6
79.05476	0.7
79.96908	0.3
81.04076	0.3
81.07027	0.4
91.05485	0.4
93.52682	0.3
94.04182	1.9
97.06536	0.3
107.04900	0.4
107.08616	0.4
109.10173	0.8
114.09138	0.3
122.03651	5.5
126.09163	0.5
133.10165	0.8
135.11685	0.9
137.05977	100.0
138.06238	0.3
151.11166	0.5
153.12741	1.2
170.15425	2.2
182.15416	3.3
183.51813	0.3
191.05067	0.3
251.60619	0.3
306.20624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05032	3.0
57.06873	0.3
57.07080	3.1
58.06603	6.1
60.04524	1.6
69.07086	0.4
70.06599	0.6
71.08626	1.1
72.08163	1.7
74.06084	3.5
81.07060	0.7
85.10182	0.7
86.06063	3.7
87.04473	0.4
88.07635	27.7
89.06028	0.5
100.07602	1.2
102.09142	0.4
104.07111	3.8
108.08963	0.4
118.08621	1.0
132.10211	7.2
137.05954	0.9
143.48441	0.3
151.25600	0.4
162.11258	2.4
166.10782	1.6
182.19141	0.5
200.20128	0.3
214.21667	31.9
226.21745	1.0
258.24295	11.3
264.64200	0.3
288.25247	1.4
306.26392	100.0
307.26917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
55.38840	0.2
57.07080	6.1
58.04821	0.2
58.06602	1.6
67.05497	0.3
68.05025	0.3
69.07076	1.2
69.89564	0.8
70.04066	0.2
70.06595	18.2
71.04990	0.2
71.08295	0.3
71.08637	3.9
72.08159	1.2
81.07043	0.9
82.07394	0.3
84.08141	1.8
86.09708	1.9
88.07635	13.0
89.06023	0.6
93.07044	0.5
95.08596	0.7
96.08906	0.2
98.21481	0.3
98.97591	0.2
102.09184	8.2
105.07046	0.3
107.08603	0.5
109.10201	0.3
113.23927	0.2
114.09146	0.7
119.08574	0.6
121.10123	0.3
125.01539	0.9
132.10214	4.9
135.11639	0.3
137.05881	0.3
139.11163	0.3
144.04395	0.3
146.11763	4.8
156.17491	1.9
168.11295	0.6
176.12776	0.2
182.19092	0.6
194.13991	0.2
200.20102	33.8
225.73164	0.2
244.22740	27.0
248.31267	0.2
288.12634	0.5
288.25339	2.0
306.26398	100.0
307.26691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81234	0.6
55.05512	5.3
57.07053	1.0
61.79633	0.8
63.77158	0.6
67.05511	7.8
69.07073	5.6
69.33737	5.7
79.05492	1.2
81.07052	7.1
83.08608	1.3
85.05296	1.3
93.07040	0.8
95.08612	4.5
98.06062	11.5
105.40271	0.6
107.08601	0.7
109.10177	1.0
112.07611	1.4
126.47475	0.7
135.11726	0.8
137.06099	0.8
196.17030	1.2
208.17081	1.2
222.18478	0.8
281.32028	0.7
306.27921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01879	2.2
56.05043	2.6
56.96570	1.0
57.03439	4.3
58.99590	0.8
58.99867	1.7
59.05026	1.0
61.02934	19.0
67.05513	2.3
68.05045	1.3
69.03443	8.8
69.39516	5.9
71.04991	1.5
73.02942	2.9
79.05517	0.8
81.03432	2.5
81.07059	1.1
82.99868	2.7
83.05005	2.7
84.04506	4.8
85.02909	13.0
85.03371	1.2
87.00845	2.8
89.00888	1.1
91.03979	1.0
94.86362	0.8
95.05010	2.0
97.01440	1.5
97.02918	4.6
99.04474	2.9
101.00895	27.1
101.02406	2.3
102.02399	1.0
103.02483	1.1
105.00401	1.0
109.02927	1.1
111.04464	1.1
113.00894	4.3
113.02360	5.6
114.03784	2.4
114.05586	2.5
115.02451	9.6
117.04008	1.8
119.01936	51.3
121.01706	1.2
126.98806	1.6
127.02485	1.8
127.03931	9.9
128.02158	1.0
129.01965	0.9
129.03094	0.9
129.04041	2.4
130.01941	0.8
130.04982	0.9
131.01918	8.4
131.03464	3.5
133.03493	10.8
135.05121	1.2
137.02963	7.3
139.02441	1.5
139.03957	0.9
140.01642	1.2
140.07137	1.3
142.03305	3.3
142.05000	1.8
143.01878	9.5
144.99901	3.2
145.03484	5.7
145.05000	3.0
147.03090	1.1
147.05074	2.9
149.03021	1.6
151.04533	1.4
153.02126	1.0
153.03992	1.0
155.01978	3.6
157.03535	2.3
159.01349	4.4
159.05026	1.1
160.03026	2.1
160.04344	4.5
161.02956	14.9
161.04105	1.2
163.04607	1.4
167.01926	1.0
168.06609	2.3
168.99846	10.0
169.03496	5.4
170.08191	1.5
171.01360	4.2
172.99406	1.6
173.03015	7.8
175.01079	1.1
175.02554	2.5
175.04597	2.0
176.04353	1.1
177.02431	6.1
179.01971	1.1
179.04059	1.1
181.01814	1.3
181.03500	1.7
185.03050	3.1
186.04721	0.9
186.07666	8.9
187.00896	18.3
187.02673	1.4
187.04620	2.6
188.04095	2.8
189.02560	3.6
190.02264	2.6
190.04034	2.0
191.04082	3.4
193.03523	2.9
193.07312	0.7
196.99315	6.3
199.00993	1.6
201.02554	2.2
201.06059	1.2
202.02267	2.1
203.04062	2.5
204.05594	1.3
205.01895	6.8
205.05690	1.7
207.03587	1.0
211.02954	4.0
211.04286	4.1
211.52873	0.8
213.02594	1.3
215.00392	23.3
215.03900	1.4
217.02023	1.5
217.05721	1.5
218.04855	3.9
219.03482	6.3
220.03276	4.9
220.05157	1.4
221.05162	1.3
229.01955	12.1
229.03651	1.0
231.03697	1.1
233.01553	3.1
237.96957	0.9
243.07945	5.0
244.06519	1.5
245.05177	1.9
247.03020	41.6
248.03494	1.0
251.02460	1.5
253.07829	1.3
257.01450	1.5
265.04123	5.7
275.02603	1.4
289.04175	6.7
289.08606	5.0
301.04053	0.9
307.04764	4.9
307.10120	100.0
329.03824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45540	1.7
56.96562	4.0
57.03447	2.7
59.59503	1.6
61.02924	5.2
69.03419	5.3
69.23283	17.3
70.99862	2.1
73.02907	2.4
81.03397	4.6
82.99837	9.7
83.04972	2.1
83.20010	1.7
84.04504	4.4
85.02905	11.0
87.04517	2.0
97.01392	4.4
97.02907	6.0
98.97557	2.8
99.04458	3.5
101.00895	82.0
103.02448	3.4
111.04440	3.0
113.00877	17.6
114.05539	1.9
115.02438	16.7
115.03981	1.7
119.01931	100.0
121.01678	2.4
121.03490	1.8
124.02576	1.9
127.02408	5.3
127.03920	6.3
129.03976	6.1
131.01917	24.5
133.03500	19.9
137.02942	7.1
139.02452	2.1
139.03883	4.6
140.07123	2.1
142.03246	2.6
143.01901	29.4
144.99800	3.6
145.01683	3.4
145.03461	13.5
145.04999	2.5
147.01373	2.8
147.03207	2.4
147.04985	6.0
149.02960	4.3
151.04498	1.9
153.01822	2.1
155.01913	14.2
157.03471	14.4
159.01385	4.4
159.05098	4.0
161.02980	26.6
163.02705	2.3
163.04512	2.7
168.99850	16.9
169.01273	2.8
169.03590	2.9
171.01392	4.8
171.03099	2.0
173.02986	21.7
175.02582	2.2
175.04556	9.9
177.02483	11.8
178.07294	2.3
185.02930	7.1
186.07626	2.2
187.00899	34.8
187.04530	6.2
189.02464	4.8
191.03964	4.3
196.99406	11.0
197.03070	2.2
199.01006	2.4
199.04507	4.0
201.02458	5.7
203.04019	11.1
205.01973	11.8
205.05626	3.3
211.04413	3.2
215.00374	42.5
217.01929	4.6
217.05595	7.6
217.07503	2.1
218.04797	2.9
219.03548	16.4
219.07117	2.7
221.05084	8.8
229.01930	29.9
233.01436	6.5
241.05614	2.6
243.08246	3.1
245.05086	3.1
247.02995	83.0
247.06802	9.6
261.03040	5.7
265.04126	11.4
265.07739	13.3
271.10693	2.3
275.05914	2.6
277.07684	2.5
281.76813	1.9
289.04010	15.6
289.07224	2.9
289.12042	2.5
307.04886	7.1
307.09711	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	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01871	4.9
55.05511	2.4
56.05042	8.3
56.96572	2.8
57.03433	7.8
61.02932	21.1
68.05029	2.2
69.03144	1.9
69.03439	21.5
71.01347	2.0
71.04982	4.7
71.52807	2.2
73.02933	8.2
74.06046	2.0
79.23570	1.7
81.01915	2.2
81.03414	11.8
82.99828	9.3
83.04994	2.6
84.04504	12.0
85.02911	53.1
87.04468	4.4
91.03947	2.8
95.01286	1.7
97.01390	5.0
97.02890	20.9
98.97596	4.1
99.04458	6.8
101.00891	67.1
101.02357	2.6
102.52039	1.7
103.00650	3.8
103.02450	5.7
109.02893	5.3
112.07640	2.2
113.00862	14.6
113.02340	3.6
113.70827	1.9
114.03740	5.0
114.05527	6.0
115.02447	21.7
116.98624	2.0
119.01929	100.0
121.01678	2.8
121.03539	3.6
125.00855	2.0
126.98764	3.3
127.02421	7.7
127.03895	15.5
129.00322	2.3
129.03951	7.2
130.05031	3.0
131.01920	23.5
131.03455	2.1
133.01662	3.3
133.03474	23.6
133.05212	3.4
135.03287	2.4
137.00883	2.6
137.02959	12.2
139.02406	2.5
140.07031	2.3
142.03232	7.0
142.04961	3.1
143.01903	31.9
144.99821	2.7
145.03462	27.4
145.05000	8.2
147.01376	3.1
147.05037	6.3
149.02948	3.4
151.04495	2.2
151.06409	2.4
153.05774	2.2
155.01913	22.3
157.01620	4.3
157.03477	28.1
159.01416	2.8
159.05074	8.8
160.03058	2.0
160.04443	8.0
161.02969	39.8
163.02785	2.1
163.04533	6.9
168.06552	4.2
168.99852	17.3
169.03423	5.0
169.05171	1.9
170.08138	3.9
171.01328	4.0
171.05069	6.2
173.01495	2.6
173.02953	16.5
174.03085	2.1
175.02763	5.4
175.04532	15.8
177.02464	10.9
177.05960	4.1
181.03564	2.6
183.01566	1.8
183.05075	2.4
185.02928	8.2
186.07619	17.7
187.00870	32.0
187.04533	13.9
188.03802	4.8
189.02478	4.6
189.06166	3.2
191.02328	2.6
191.04066	5.7
195.07217	2.1
196.99326	7.4
197.03098	2.5
199.00890	3.1
199.02797	2.6
199.04526	7.2
200.10728	2.1
201.02544	4.4
201.06123	4.1
203.03998	14.4
205.02032	10.6
205.03709	3.5
205.05563	4.2
205.07373	3.1
207.03670	1.9
207.63051	1.8
211.02734	3.2
211.04524	2.7
214.98459	3.7
215.00377	39.1
215.03737	1.9
217.01913	4.6
217.05600	3.9
217.07442	3.9
218.04883	10.1
219.01688	3.0
219.03580	9.1
219.07082	3.9
221.05099	20.5
223.04857	2.4
227.03912	2.0
229.01941	21.5
233.01395	4.9
242.07552	2.2
243.08237	14.6
244.06514	3.0
245.05118	11.3
246.05092	2.0
247.03014	68.3
247.06660	24.7
251.02415	2.4
257.01465	5.3
259.06662	13.9
263.06158	2.5
265.04083	7.2
265.07709	37.8
273.04535	2.1
275.02246	2.7
277.07687	2.1
283.19626	1.7
289.04044	11.2
289.08411	10.0
293.03561	3.2
305.10916	2.6
307.04916	6.5
307.07779	91.0
307.12701	3.8
319.08612	3.9
321.10336	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	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85002	0.1
71.52219	0.1
77.37110	0.1
82.99858	0.1
93.07024	0.1
98.97583	0.2
101.00890	1.9
113.52588	0.1
116.98798	0.2
118.94267	0.1
119.01931	4.8
122.97822	0.2
134.99893	0.4
137.02954	1.1
137.13222	0.1
140.98851	0.4
158.99908	1.2
161.03001	0.1
165.00052	0.1
165.99660	0.2
175.03024	0.3
177.00963	10.0
178.01097	0.1
182.99730	0.5
183.01300	0.3
199.02965	0.2
201.00948	2.1
217.04097	2.2
219.02020	17.2
220.02200	0.3
221.02000	0.2
225.00850	2.4
227.99550	0.1
234.00626	0.1
242.03676	0.2
243.02011	10.9
244.01779	0.1
261.03073	100.0
262.03281	1.2
263.03452	0.6
265.02682	0.3
266.03668	0.8
275.04538	0.2
284.04669	5.8
285.04715	0.2
294.16940	0.1
298.06448	0.1
307.06174	0.1
307.14676	0.1
325.02405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05497	1.2
56.05045	3.3
56.96563	1.4
57.03439	3.3
61.02928	14.2
62.97031	0.9
67.05503	2.7
69.03431	8.5
71.04997	1.4
71.08381	2.9
73.02532	1.0
73.02940	3.0
77.00937	1.5
81.03442	3.2
82.99865	1.5
83.04995	3.0
84.04523	4.0
85.02908	14.0
87.00819	1.6
93.07088	1.5
94.06601	1.1
95.04977	1.6
97.02902	7.6
98.97623	1.4
99.04485	2.8
101.00890	21.8
103.00644	1.5
109.02933	3.0
111.04478	1.6
113.00916	3.2
113.02346	4.8
114.03746	2.2
114.05572	3.2
115.02443	6.0
117.02988	1.2
117.03989	1.1
119.01920	37.7
121.10236	1.6
126.98847	1.1
127.02457	1.3
127.03918	12.2
128.52045	1.1
129.00409	0.9
129.04041	2.6
130.06503	1.5
131.01926	6.7
131.03447	3.1
133.03471	8.4
136.03777	1.0
137.02953	6.9
139.03941	1.5
142.03285	2.4
142.05035	1.9
143.01904	8.1
144.99818	1.7
145.02544	1.2
145.03473	5.2
145.04901	5.0
147.03113	1.9
147.05116	1.8
149.02956	1.6
149.05592	1.0
155.01997	3.1
157.03506	2.2
157.07690	1.2
159.01418	1.5
160.04390	4.0
161.02951	11.3
165.05502	1.2
167.01988	2.1
167.03883	1.2
168.06598	1.7
168.99829	7.5
169.03548	3.2
170.08221	1.3
171.01483	3.3
171.05148	1.1
173.02998	6.1
175.02515	1.5
175.04578	2.6
177.02419	6.2
181.03511	1.7
185.03076	2.9
186.07643	9.1
187.00876	12.2
187.02461	1.3
187.04575	2.6
188.04083	2.5
189.02536	3.1
190.02307	2.4
190.03940	1.6
191.04099	4.2
193.03532	1.3
195.03685	1.0
196.99312	5.5
201.02621	3.5
203.04111	2.5
205.01939	6.4
205.05704	2.3
211.02817	3.2
211.04678	4.0
211.54640	1.0
213.02553	1.6
215.00356	17.2
215.04182	1.2
217.05684	2.4
218.04974	3.7
219.03502	6.5
220.03275	2.6
220.05156	1.6
221.05052	1.5
229.02051	7.8
229.03503	1.5
233.01509	3.1
243.04449	1.7
243.08160	5.0
244.06551	1.8
247.02962	26.9
248.03320	1.2
251.02606	2.5
257.01608	2.3
259.02902	1.0
265.04193	4.2
275.02664	1.7
275.06195	1.5
275.20401	1.3
289.03931	5.1
289.08517	4.9
307.04590	4.4
307.10120	100.0
329.03677	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	307.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15963	0.3
59.93029	0.3
71.52374	0.6
101.46648	0.4
130.46053	0.3
131.68523	0.3
138.23059	0.3
152.93333	0.3
164.20216	0.4
179.68968	0.3
197.19766	0.3
205.05542	0.5
304.58057	0.4
307.10016	100.0
308.10141	0.6
311.67368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.4
55.05508	23.4
56.96556	4.3
57.01635	3.1
57.03424	21.1
57.07073	5.8
58.61958	3.2
58.70690	3.0
67.05502	33.5
69.03436	26.6
69.07063	33.6
70.79855	7.9
71.01348	3.7
71.04986	18.4
73.02905	8.9
75.51105	3.1
79.05495	15.8
81.03384	5.6
81.07055	80.2
83.04964	23.3
83.08620	14.6
85.02898	23.3
85.06540	15.1
86.35648	3.4
87.04469	11.7
89.25084	2.9
91.05476	18.8
91.47775	3.3
93.07031	24.7
95.04977	20.6
95.08598	55.9
97.06527	16.5
97.10178	4.5
98.97576	3.3
99.04456	10.0
101.02370	4.3
103.03920	4.1
103.05454	31.1
105.07025	26.9
107.04976	7.8
107.08603	27.1
109.02905	6.3
109.06519	12.2
109.10145	32.6
111.04419	18.8
111.08073	14.8
111.11707	3.5
113.06011	10.7
115.05440	28.8
116.06283	3.9
117.07018	29.5
119.04932	18.8
119.08588	10.9
121.06502	5.9
121.10117	12.2
122.97252	3.5
123.08064	4.3
123.11688	35.0
124.07599	9.1
126.09126	5.2
127.03931	4.6
128.06223	9.3
129.06998	19.2
131.04935	75.5
131.08540	7.1
131.71129	3.4
133.06477	7.2
133.10132	13.6
135.04346	5.0
135.08086	6.8
135.11726	8.6
136.07587	47.2
137.05968	53.1
137.09625	6.1
137.13261	8.2
138.09148	53.2
139.11166	5.9
141.07010	22.4
143.04912	14.9
144.05650	6.9
145.06473	42.2
145.10130	4.0
146.03636	12.9
146.43668	3.3
147.04405	46.1
147.11681	10.5
148.05174	7.6
149.05968	30.2
149.13176	6.2
151.07556	30.8
151.11302	7.2
152.07092	10.6
155.04872	5.1
155.08542	6.6
157.06465	19.6
158.07246	9.9
158.99599	3.2
159.04413	9.4
159.08099	11.4
159.11736	5.2
160.05200	23.2
161.05951	30.0
161.09586	5.5
161.13251	9.2
162.06766	6.0
163.03925	6.7
163.07535	94.1
164.07068	100.0
165.05482	4.3
165.06993	5.3
165.09077	32.7
167.07066	8.7
168.05682	6.7
169.06488	26.5
170.08247	4.0
171.04474	5.2
171.08064	3.4
172.05171	6.1
173.00249	3.3
173.06030	10.5
173.09627	4.8
174.06718	10.3
175.07542	69.9
176.04657	9.5
177.05486	57.4
177.09065	30.2
178.06296	6.1
179.07042	29.8
181.06384	4.0
181.08592	15.0
182.08148	17.0
183.08064	11.7
185.05959	10.8
186.06856	4.2
187.07547	48.2
189.05429	7.3
189.09120	24.1
190.06252	5.4
191.07034	57.6
191.10648	7.1
193.06941	4.8
193.08595	27.5
195.06487	5.7
197.05942	14.6
199.07553	10.6
201.09088	41.7
202.06255	4.2
203.06979	25.5
204.07785	6.9
205.04865	4.6
205.08614	31.3
205.12172	4.1
209.08147	5.7
210.06792	4.3
211.07515	14.9
213.05374	4.4
213.09138	5.7
214.53639	3.2
215.07079	16.5
215.10654	14.8
217.08574	17.4
219.10266	9.9
221.08150	9.0
225.09154	7.0
229.08569	50.0
231.10042	3.9
233.08084	23.0
243.10109	24.4
245.08075	9.5
247.09676	13.4
259.09686	7.6
261.11252	11.5
271.09668	13.3
271.19107	8.6
279.12155	4.4
286.10986	4.4
289.10580	16.0
289.25095	8.1
307.11829	59.5
307.19315	6.3
307.26248	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01860	1.5
55.05503	2.5
56.96552	0.8
57.03426	1.6
65.03965	0.9
67.01855	1.3
67.05507	3.3
67.05811	0.7
68.99786	1.1
69.03413	2.3
69.07058	2.1
69.48772	5.2
71.04993	5.3
71.08568	0.7
72.08155	1.0
74.06086	0.9
75.06374	0.6
77.03957	0.7
79.05482	5.5
80.05008	2.9
81.03406	2.8
81.07056	6.5
83.04964	1.5
84.08168	1.2
85.02898	5.8
85.06532	2.3
87.00800	0.7
91.05476	2.5
93.07041	6.5
94.06580	5.5
95.04971	1.2
95.08604	2.9
96.04502	1.2
97.02886	1.6
97.06521	1.7
98.06053	10.7
98.21493	0.8
98.97570	1.4
98.98476	1.1
99.04467	1.2
99.08092	1.0
104.04984	2.8
105.06995	1.6
107.08591	1.3
108.04478	90.8
109.02887	1.6
109.06510	2.9
109.10174	1.9
110.06037	1.9
111.04381	0.8
111.08044	0.9
115.05437	0.7
119.04925	2.6
119.08568	2.1
120.04482	7.3
121.06532	0.6
121.10136	9.3
122.06030	55.9
123.04430	10.8
124.07607	1.5
126.05512	1.7
126.09244	0.8
127.03905	3.6
127.07513	3.7
130.06529	4.5
131.08583	1.0
132.04387	1.6
133.06555	0.9
137.02383	0.8
138.05504	22.0
139.03889	5.5
139.06264	3.3
139.11169	4.4
140.07065	100.0
143.11838	0.9
145.04988	0.8
145.08594	4.8
146.05991	2.0
147.04399	13.7
149.05943	0.7
149.09596	2.1
150.05522	13.4
151.03897	0.9
151.11057	0.8
155.03400	21.1
157.07568	4.3
157.12250	3.6
158.06032	3.3
158.99649	0.9
161.05962	1.2
165.05493	2.8
167.07112	0.9
167.10687	2.5
168.06561	79.4
170.08150	4.1
175.08673	1.6
181.05319	0.9
185.07121	1.0
185.11797	1.6
187.07567	0.8
199.13431	0.7
202.08640	0.8
204.10219	2.5
216.10207	0.9
217.08722	1.0
245.12869	1.2
248.01416	0.8
261.08673	2.2
261.12256	0.8
265.11700	4.3
271.10770	1.2
289.07596	1.6
289.11771	3.8
307.12933	50.1
307.16483	6.9
308.82632	0.9
314.93771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01865	1.2
55.81310	0.3
65.40186	0.3
66.94672	0.3
69.07044	0.4
70.89140	0.8
71.04996	0.3
79.05475	0.3
86.93606	0.3
95.04937	0.3
98.06036	0.8
107.08579	0.7
108.04469	1.1
110.06020	0.3
120.04507	0.4
122.06039	2.2
123.04478	0.3
124.07598	0.8
130.33923	0.3
133.06487	0.3
134.06093	0.5
135.08046	1.7
136.07571	1.0
138.05438	0.4
140.07072	2.2
146.06078	0.4
146.09686	0.3
148.07611	0.4
150.05545	0.3
150.09116	0.7
158.09729	0.4
160.07605	1.4
162.09180	0.3
163.08658	0.9
164.06973	0.4
167.29655	0.3
168.06638	1.7
170.09613	0.6
173.10724	0.4
174.09180	1.9
176.07100	0.4
177.10277	1.6
178.08647	12.3
182.08095	0.7
184.07608	1.2
185.46700	0.3
187.07375	0.6
187.08743	1.0
188.07062	3.0
188.10724	0.5
189.10316	0.5
191.08163	0.8
196.09708	0.7
198.09134	1.6
200.10858	0.4
201.06503	0.4
201.10313	2.8
202.08635	4.0
204.10251	0.8
205.09712	3.7
206.08180	1.9
212.07056	0.9
215.08241	0.5
215.11902	0.5
216.10350	2.6
217.09660	0.5
219.07698	1.0
219.11276	4.0
220.09731	2.3
225.10242	0.4
226.08664	2.0
229.09731	4.8
230.08163	3.0
243.11310	1.7
244.09744	3.9
246.11368	0.5
247.10797	11.1
248.09146	1.2
253.09705	0.4
254.08138	0.7
261.12360	1.3
262.10858	1.8
265.11868	11.6
271.10806	1.5
272.09265	1.8
289.11835	14.4
290.10345	0.7
307.12888	100.0
308.13245	0.4
327.10001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05042	2.1
58.06602	4.2
61.01165	0.7
62.13654	0.5
65.35186	0.4
69.03423	0.8
70.06600	0.5
70.89569	0.4
70.89907	0.9
71.04986	0.5
74.02464	0.4
74.06081	0.5
81.07081	0.5
84.04507	23.5
84.08144	100.0
85.02909	0.6
86.06062	7.5
86.06535	0.5
86.09703	6.3
86.69365	0.4
88.03985	2.0
95.38734	0.4
98.97606	0.7
99.06281	0.4
102.09206	0.4
113.07220	0.5
122.06055	0.7
123.04470	0.7
127.03931	1.0
127.11221	0.4
130.08649	1.1
132.77968	0.4
136.06178	0.6
139.03912	0.7
140.07062	0.9
141.13881	6.6
144.10303	0.5
162.26605	0.5
169.13382	10.2
173.32436	0.4
183.51651	0.4
198.11310	1.9
215.13918	39.8
240.15923	0.4
243.17049	56.0
244.17416	0.5
262.11084	4.9
289.11780	1.1
307.12939	1.1
307.16870	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	28.3
55.01881	24.5
55.05516	37.0
55.93922	3.8
57.03441	7.9
57.07078	5.6
67.05512	68.1
68.28901	4.3
69.07076	37.2
71.39089	4.7
79.05494	63.0
81.03425	30.3
81.07061	90.3
83.04980	16.4
83.08622	15.6
85.06546	11.1
91.05486	53.4
93.07061	56.6
95.04967	16.6
95.08612	48.4
97.06539	62.8
97.10168	15.6
97.62991	3.6
105.07042	79.4
107.04962	32.4
107.08611	41.2
109.06515	19.3
109.10155	13.1
111.08089	10.3
117.07070	20.0
119.08592	37.9
121.10175	17.9
123.04474	4.4
123.08068	9.3
123.11680	8.1
125.09650	20.4
129.07014	5.6
131.08577	30.4
133.10126	43.7
135.08052	10.5
135.11726	23.4
137.05998	7.3
137.09602	4.8
143.08614	4.9
145.06554	7.6
145.10179	22.9
147.08110	4.3
147.11726	22.3
149.09589	29.2
149.13313	13.8
151.11195	8.8
159.11754	23.5
161.13283	8.8
163.11171	7.6
165.09172	4.8
169.10167	7.4
177.12762	14.5
179.14339	14.6
187.11234	9.4
197.13228	5.3
203.12836	14.5
209.15475	4.9
219.17529	9.5
229.19456	5.8
247.20705	6.9
257.19055	10.4
261.03110	5.2
275.20071	100.0
307.14929	4.5
307.19519	4.3
307.22549	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	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.90162	1.7
53.03942	6.4
55.01861	5.9
55.05263	2.2
55.05511	29.0
55.80829	1.5
56.96560	2.9
57.03440	4.7
57.06855	1.4
57.07074	15.0
59.05005	3.1
60.23438	1.4
65.03947	1.7
67.05170	2.5
67.05502	29.9
69.03429	9.1
69.07070	100.0
70.67015	3.1
70.67349	1.5
71.04996	11.0
71.08622	8.3
77.03912	1.6
79.05500	21.5
81.07061	85.7
83.04977	6.3
83.08141	2.9
83.08621	43.3
85.02916	3.2
85.06538	6.6
85.10165	2.7
87.04469	5.3
88.07623	3.0
91.05477	19.6
93.07044	93.9
95.04969	26.2
95.08611	89.1
95.09061	1.5
95.09241	2.5
97.02910	2.0
97.06535	16.7
97.10174	13.5
98.97570	4.0
99.08078	3.7
105.07038	27.6
107.08598	40.8
109.06535	7.6
109.10159	33.8
111.08091	18.0
111.11687	9.0
119.08587	18.3
121.02893	1.6
121.06491	6.9
121.10146	64.6
123.08070	5.6
123.11709	34.0
125.09614	9.1
127.03903	2.7
131.08589	10.8
133.10124	14.9
135.08028	3.2
135.11699	16.9
137.05983	2.5
137.09566	3.6
137.13249	6.1
139.11153	9.3
145.10133	12.6
147.11685	13.0
149.09651	7.0
149.13268	27.3
151.11186	4.7
151.14868	2.5
153.12762	1.8
155.01103	2.3
159.08067	2.1
159.11681	12.3
161.13268	10.1
163.11189	7.2
163.14824	7.0
165.12737	3.0
167.10686	7.7
167.14320	13.7
173.13281	2.9
175.14832	8.6
177.12772	4.8
177.16418	4.7
179.14302	1.6
181.12225	3.0
185.15419	6.5
187.14888	3.5
189.16362	3.8
191.17957	3.9
195.13876	1.9
201.16422	3.9
205.19463	1.9
209.18977	4.9
214.21574	1.8
215.18008	5.4
215.21964	4.7
222.59724	1.7
231.21053	2.5
241.98222	1.8
245.22621	4.4
259.24576	1.8
261.14813	1.8
261.25806	2.6
263.23819	2.5
271.24210	17.8
286.12451	4.2
289.18301	2.5
289.25259	13.1
307.15430	3.1
307.19003	7.2
307.26428	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03928	2.7
55.01867	2.0
55.05511	18.3
56.96563	1.4
57.03430	1.5
57.07072	8.1
59.04998	2.3
65.03945	1.5
67.05178	1.8
67.05507	22.0
69.03413	4.3
69.07071	49.6
69.69465	4.5
71.04992	6.4
71.08624	1.8
73.06549	1.1
75.70675	0.8
77.03944	1.1
79.05067	1.2
79.05501	17.1
79.05943	0.8
81.03401	2.7
81.07061	100.0
81.53890	1.1
83.04984	5.2
83.08621	15.0
85.06525	4.2
91.05486	12.3
93.07051	53.2
95.04979	13.8
95.08610	52.4
97.06538	13.6
97.10190	5.4
98.97604	1.9
99.04421	1.3
99.08076	3.3
101.06007	1.1
105.07034	16.3
107.08602	41.9
109.06535	7.3
109.10167	33.2
109.10915	1.8
111.04421	1.1
111.07378	1.3
111.08092	21.4
111.11722	7.7
119.08571	12.8
121.10149	23.0
123.08060	4.3
123.11710	29.7
125.05963	1.6
125.09662	2.3
125.13279	1.0
127.03889	0.9
131.08534	3.5
133.09248	1.4
133.10152	17.8
133.11118	2.0
135.08052	2.9
135.11688	13.6
137.09621	2.3
137.13266	14.0
139.11186	13.4
142.83162	1.2
145.10135	4.5
147.11678	7.6
149.09616	1.1
149.13264	11.6
151.11195	34.9
151.14787	1.5
153.12740	3.0
155.10672	1.0
157.12285	1.2
159.11696	6.8
161.13278	5.1
163.11176	3.5
163.14818	4.5
165.12767	7.1
167.10645	1.1
167.14342	3.3
169.12250	4.7
173.13219	2.2
175.14841	4.4
177.12750	1.4
177.16357	3.9
179.14314	1.0
181.12276	2.2
187.14865	1.5
189.16353	2.3
191.17964	2.3
193.15991	1.8
201.16324	1.9
203.17973	2.1
205.19608	1.1
209.19080	1.9
215.17973	3.3
219.21022	1.0
225.16225	1.0
233.18867	1.0
245.22717	1.3
263.23849	0.9
267.09296	1.1
271.24255	7.7
277.25333	2.5
289.25308	15.0
307.09430	1.6
307.26328	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.76968	0.7
53.03935	0.9
54.59486	0.6
55.01862	0.9
55.05275	0.8
55.05516	11.9
56.73567	0.6
57.03429	1.8
57.07073	4.4
58.70258	0.6
59.04996	1.2
65.03959	0.9
67.05183	1.1
67.05511	14.3
69.03424	2.8
69.07073	49.5
69.73743	1.0
69.74152	2.8
71.04984	3.1
71.08638	1.0
71.21497	0.7
73.06553	0.9
79.05492	5.9
81.07061	37.7
83.04986	2.1
83.08623	10.1
85.02912	0.9
85.06534	2.8
86.39128	0.6
88.00417	0.6
91.05476	4.0
93.06483	1.0
93.07049	15.5
95.04970	2.8
95.08614	22.7
97.06513	4.3
97.10167	3.2
98.21490	1.2
99.08095	2.1
102.28130	0.6
105.07040	11.1
107.08595	13.7
109.06522	4.7
109.10165	33.4
111.08072	2.9
111.11732	9.4
117.07056	0.6
119.08572	9.2
121.06524	0.9
121.10147	14.6
123.08064	3.0
123.11714	14.8
125.09613	2.2
127.11193	2.6
131.08585	1.6
133.10152	4.9
135.08031	1.6
135.11676	6.1
137.09616	2.6
137.13264	4.7
139.11197	8.7
141.12692	0.9
145.10141	2.9
147.11716	6.3
149.13252	5.7
151.11174	3.9
151.14835	1.2
153.12695	2.1
155.10693	2.7
159.11703	3.0
161.13280	7.5
163.11162	2.9
163.14827	2.8
165.12761	8.8
167.14316	1.4
169.12210	0.8
173.11803	1.0
173.13272	1.9
175.14835	1.9
177.12766	2.6
177.16408	1.8
178.13562	1.2
179.14310	14.2
187.14832	1.5
189.16382	2.2
191.17976	1.1
201.16359	0.9
205.15874	1.2
215.18013	1.5
219.17546	0.9
225.64716	0.7
271.24173	2.4
277.25354	1.1
289.25266	9.5
307.26324	100.0
308.60394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03943	2.6
55.01862	1.5
55.05512	20.2
57.03437	1.7
57.07072	8.0
59.05004	1.8
61.59733	1.1
62.60061	1.2
64.31048	1.1
65.03934	1.5
67.05185	1.7
67.05510	21.8
69.03413	4.1
69.07070	98.3
70.05287	4.3
71.04979	3.8
71.08614	3.1
73.02879	1.3
79.05499	16.0
81.07056	100.0
83.04988	2.8
83.08628	13.8
85.06551	5.4
91.05481	12.0
93.07045	44.7
93.07639	1.8
95.04954	4.0
95.08609	48.0
97.06525	9.4
97.10182	6.8
99.08066	1.9
105.07034	35.7
107.08596	37.2
109.06525	8.9
109.10159	32.5
111.08089	10.8
111.11727	22.7
119.08585	15.1
120.63033	1.2
121.10143	36.9
123.08068	2.5
123.11712	35.7
125.09637	3.3
125.13220	1.4
131.08533	1.8
133.10115	14.1
135.11681	12.2
137.09610	2.0
137.13258	10.1
139.11182	26.5
145.10100	3.4
147.11690	19.2
149.13286	9.0
151.11177	22.3
151.14833	2.5
153.12723	10.9
159.11690	2.6
161.13240	4.5
163.14816	4.4
165.12756	27.7
167.14310	3.6
169.12250	3.3
169.15884	1.5
175.07494	1.3
175.14824	3.0
177.16431	2.4
179.14334	2.0
181.12259	2.4
183.13867	2.1
187.14743	1.6
189.16368	1.5
191.18045	1.7
193.15852	2.1
199.11464	1.3
203.35777	1.1
215.17914	2.5
238.31660	1.2
245.22627	2.3
259.24121	1.2
271.24182	5.3
277.25433	3.1
289.25266	20.6
305.99103	1.4
307.26340	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17399	0.8
51.41385	0.7
53.03931	1.4
55.01866	1.2
55.05520	5.6
56.96558	2.7
57.03433	1.7
61.02917	1.8
65.03944	1.9
67.05494	2.7
69.03436	7.3
71.04985	1.3
71.53179	1.6
73.02919	2.2
76.02213	2.3
78.95738	0.8
79.05472	1.0
81.03406	4.4
83.04485	1.5
83.04982	28.2
85.02903	15.1
86.00673	1.0
91.05472	0.9
94.49841	0.8
95.04975	4.0
97.02886	5.9
98.97604	4.9
100.02193	1.0
107.04930	1.4
109.02892	6.3
110.97563	0.9
111.04439	100.0
116.01670	3.7
116.98624	1.1
123.04384	1.4
127.03881	3.1
127.50470	0.8
128.01654	9.2
129.05464	1.9
139.03886	1.3
145.04936	3.2
146.02689	2.6
146.06013	8.5
147.04579	1.2
158.99654	1.3
165.05464	1.2
169.04901	1.1
172.04303	3.3
179.04831	1.5
184.04990	1.0
202.55026	0.9
216.06941	2.6
237.02869	1.5
237.07568	1.2
255.08733	4.5
262.07483	5.2
308.08084	2.9
308.11221	1.0
334.01193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1526
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
50.64811	0.1
55.05525	0.3
56.96572	0.3
57.07082	1.2
59.05006	1.3
67.05516	0.2
68.72171	0.1
69.07080	0.5
69.23473	0.7
69.23898	0.5
70.04084	100.0
71.04434	0.2
71.08650	0.2
75.54398	0.1
81.07085	0.3
82.09701	0.1
83.08627	0.6
84.21290	0.1
98.20713	0.3
99.08971	0.1
105.07034	0.2
115.05478	0.4
116.06241	0.7
119.08618	0.1
125.01560	6.6
130.07799	0.2
137.06047	0.1
139.03085	0.8
147.55196	0.1
151.03113	2.8
165.04652	0.7
179.06195	0.2
262.03180	0.2
267.09039	0.5
285.10062	0.7
308.15265	38.4
309.15598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05500	0.4
56.79018	0.3
56.96559	0.9
57.07062	0.5
58.02951	0.2
58.24121	0.2
65.11569	0.2
67.05472	0.3
69.00567	0.2
69.07050	0.8
69.19614	2.3
70.04091	1.2
71.08627	0.5
74.89825	0.2
76.02217	0.2
78.57891	0.3
79.05482	0.6
81.07053	1.6
91.05482	0.7
93.07036	0.4
94.04177	1.8
95.04947	0.3
95.08603	0.8
101.91190	0.3
107.04942	0.3
107.08566	0.4
109.06513	0.6
109.07735	0.2
122.03655	6.2
128.10744	0.2
135.11676	0.3
137.05978	100.0
137.13245	0.4
138.06293	0.5
155.14265	0.3
164.84189	0.2
172.16972	1.6
184.16974	2.8
186.98061	0.2
247.08420	0.2
267.09000	1.1
275.62668	0.3
285.10065	1.3
291.23230	0.6
308.11823	0.4
308.15222	0.6
308.22626	0.4
308.26031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90184	1.2
55.01845	1.2
57.03431	2.0
61.02917	2.4
65.48251	1.6
69.03422	5.1
69.34076	3.6
69.34484	7.2
71.04997	1.8
73.02898	1.4
78.31450	1.3
84.04510	2.5
84.91195	6.9
85.02906	12.9
97.02895	4.2
98.97618	1.9
119.01909	2.3
121.01743	1.8
127.03928	3.1
128.07170	1.3
143.01936	2.6
145.05008	2.9
147.05806	1.8
161.05486	1.6
165.59590	1.4
180.97290	1.5
219.07208	1.8
309.04095	100.0
309.07828	19.3
309.10620	5.7
321.10272	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	309.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41093	2.9
53.39851	2.4
55.01866	4.4
55.05505	6.4
55.89111	2.9
57.03442	20.4
61.02925	6.1
65.30386	2.8
67.05515	14.7
68.59831	3.0
69.03448	15.9
69.07047	9.1
71.01361	8.1
71.04983	7.0
71.53622	2.9
73.02916	18.1
73.44385	2.4
79.05496	14.0
81.03421	5.4
81.07058	18.6
83.04998	4.7
83.08630	4.4
85.02913	45.8
89.78750	3.0
91.05487	8.7
93.07042	12.6
95.01341	26.5
95.04970	3.6
95.08619	16.5
97.02907	25.1
97.06536	3.2
99.00800	8.4
99.04445	4.0
100.88589	2.9
103.03944	6.1
105.07036	8.0
107.04989	3.3
107.08582	11.2
109.02840	4.1
109.10159	8.6
113.02376	4.4
115.03947	13.2
118.16020	2.6
119.04935	6.8
119.08636	6.6
119.71008	3.0
121.10155	5.3
122.74486	2.3
123.04388	4.4
123.08076	3.1
123.77505	2.5
127.03913	11.2
129.05434	3.1
131.08578	5.5
133.04970	22.9
133.10144	4.4
135.08131	2.7
135.11702	3.0
141.01843	100.0
143.08545	4.9
145.10165	4.3
147.04439	33.5
147.11665	4.5
155.03465	3.2
157.05000	2.6
157.10162	4.5
159.02875	7.4
161.13138	3.1
173.04442	3.0
219.04977	4.3
263.19913	3.8
273.18530	5.4
291.19547	8.9
309.16782	16.6
309.20413	51.6
309.25848	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.03624	0.2
59.04990	0.6
61.02929	0.3
65.03929	0.7
67.05498	0.8
68.25791	0.3
69.03433	3.6
69.07060	1.0
70.07362	1.1
79.05506	0.3
80.22328	0.2
81.03411	0.4
81.07069	1.3
83.08571	0.2
85.02896	0.8
89.68189	0.2
91.05487	6.6
93.07040	0.5
95.08601	1.1
97.02882	1.1
98.21486	0.4
105.07046	0.3
107.04976	0.5
107.08588	0.7
109.02851	0.9
109.10155	0.5
110.39609	0.2
110.74342	0.2
111.08127	0.3
111.11795	0.3
119.04955	21.6
119.08537	0.2
121.02894	0.6
121.10156	0.5
127.03907	1.8
133.06474	0.2
137.09634	0.4
143.05638	0.3
145.06410	0.3
147.04419	100.0
148.04718	0.3
157.06546	0.5
165.05522	1.2
185.05995	0.6
203.06966	0.4
209.06496	0.3
213.05479	0.4
229.08560	0.4
231.06552	1.0
243.55022	0.2
273.07657	0.3
291.08652	2.4
309.10016	1.1
309.20801	0.3
309.27499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03940	0.5
55.01867	0.4
55.05272	0.2
55.05517	3.6
57.03436	1.1
57.07088	1.3
59.04990	0.7
61.02935	0.3
65.03928	0.5
67.05508	3.6
69.03439	4.3
69.07077	21.4
69.29828	2.1
70.07398	0.3
71.05000	0.6
71.08640	0.6
73.02914	0.3
73.06552	0.3
74.44370	0.2
79.05496	1.7
81.03426	1.0
81.07069	8.3
83.04984	0.5
83.08631	2.5
85.02907	1.0
85.06538	1.2
91.05489	7.7
93.07046	4.1
95.04984	0.5
95.08616	7.4
97.02885	1.3
97.06548	1.2
97.10176	1.3
98.97602	0.7
99.04494	0.4
99.08108	0.9
105.07028	1.2
107.04959	0.4
107.08610	3.8
109.02898	1.0
109.06539	0.4
109.10174	4.9
111.08089	1.8
111.11739	5.7
115.07624	0.3
119.04959	21.6
119.08591	1.0
121.02842	0.6
121.10157	2.6
123.11717	3.7
125.09665	0.4
127.03949	2.1
127.11254	0.3
129.12766	0.5
133.10175	1.0
135.08112	0.2
135.11736	2.1
137.09619	0.6
137.13246	1.4
139.11195	4.2
145.06427	0.3
145.10135	0.3
147.04427	100.0
147.11713	0.5
148.04823	0.3
149.13257	2.0
151.11208	0.2
151.14832	0.3
153.12741	1.9
157.06395	0.3
157.12231	0.6
161.09669	0.3
161.13271	0.4
163.14844	1.0
165.05495	1.1
165.12744	0.4
167.14369	0.7
175.14877	0.5
177.16434	0.5
185.06000	0.3
187.07547	0.6
187.14813	0.3
189.16307	0.4
189.57477	0.2
201.00690	0.3
203.07057	0.5
213.05380	0.2
215.07053	0.3
219.01912	0.7
221.19006	0.3
229.08644	0.3
231.06566	1.4
237.02995	0.6
261.02841	0.3
273.07565	0.3
273.25745	0.4
277.08533	0.3
279.03967	0.6
279.11832	1.1
281.11938	0.2
288.12408	0.8
291.08688	2.9
291.19656	0.6
291.26862	1.4
309.10095	1.0
309.13651	0.5
309.20563	0.5
309.27933	6.1
321.05029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57485	0.4
52.38380	0.4
53.03946	0.7
55.01869	0.8
55.05522	3.2
56.06276	0.4
56.96555	0.7
57.03442	9.1
57.89915	0.4
59.04999	1.1
59.47275	0.4
61.02943	1.9
62.96280	0.4
65.03923	0.4
67.05511	0.9
69.03436	3.8
69.07085	0.4
71.01359	1.8
71.05001	25.7
71.52962	0.6
73.02924	4.3
75.04487	12.1
79.05508	0.5
79.45302	0.5
81.03429	1.7
81.07035	0.4
83.04989	6.4
85.02913	100.0
87.04456	2.7
91.05488	0.5
93.07077	0.5
95.04996	0.8
97.02898	4.5
97.06519	0.6
98.97576	0.8
99.04463	1.2
101.06048	1.2
102.96870	0.5
103.03913	0.8
107.05007	0.4
109.02879	2.1
111.04450	3.8
111.99831	0.4
116.98438	0.5
117.07092	0.4
119.04979	1.3
123.04462	1.3
127.03938	3.6
129.05495	23.9
134.75636	0.4
134.99518	0.5
135.04477	0.6
137.06067	0.4
139.03911	2.2
143.08633	0.4
145.05002	1.7
147.04445	5.9
147.06523	13.7
151.03882	0.5
153.05594	0.4
161.06029	0.8
161.13455	0.4
161.68085	0.4
165.05508	1.1
167.07085	0.5
171.06596	0.5
179.00171	0.4
197.01326	0.5
207.01657	0.6
218.42493	0.4
231.47325	0.4
240.49173	0.4
255.08746	0.9
291.05164	0.3
291.13382	0.6
309.11508	0.8
309.17734	0.5
323.23523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62114	0.6
53.03942	0.8
55.01864	1.0
55.05500	3.5
56.96563	1.1
57.03442	10.6
57.74017	0.6
58.50018	0.5
59.04979	0.9
61.02922	1.9
67.05492	1.1
69.03437	3.8
69.07064	3.8
71.01364	1.4
71.04996	24.5
73.02914	4.4
75.04484	12.4
80.40929	0.5
81.03415	1.7
81.07072	0.6
83.04983	5.6
83.08662	0.7
85.02908	100.0
87.04462	2.3
89.03735	0.6
91.05475	3.9
91.26274	0.6
93.07025	0.7
95.04971	0.8
95.08632	0.8
96.38693	0.6
97.02908	4.8
97.29895	0.5
98.97585	3.5
99.04447	2.2
101.06020	0.9
103.03969	0.7
105.06998	0.8
106.49882	0.5
109.02901	1.8
110.97588	1.1
111.04422	3.1
111.11719	1.3
119.04973	1.8
123.04413	1.0
124.07632	0.6
127.03928	3.8
129.05478	20.9
129.06380	1.2
131.04958	0.7
133.10118	0.8
135.08014	0.7
137.06027	0.6
137.09703	0.5
138.09222	0.6
145.04967	1.3
147.04451	5.4
147.06511	13.9
161.06087	1.1
165.07631	0.9
183.06485	0.7
207.30818	0.6
221.03609	0.8
221.08130	1.1
237.02858	0.8
246.80534	0.5
291.13315	0.8
309.06494	0.7
309.11392	0.8
309.14362	1.2
327.07544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
55.05503	3.8
56.96548	4.6
57.03439	3.3
58.39066	1.7
61.02916	3.1
64.86466	1.9
67.05500	8.9
67.55688	1.5
68.05042	2.2
69.03434	8.6
69.07068	3.3
71.04979	4.0
71.54087	2.7
72.08160	1.8
73.02899	2.7
75.04498	2.1
77.38537	1.5
79.05496	5.6
81.03433	4.6
81.07051	4.9
82.06570	3.6
83.04974	3.4
83.08613	2.5
85.02901	16.8
85.06542	2.6
91.05457	10.1
93.03407	1.7
93.07045	2.4
94.06567	8.1
95.04958	6.2
95.08601	2.2
96.04471	7.6
96.08128	3.3
97.02889	2.8
97.06535	3.7
98.06055	4.2
98.97605	7.9
105.07023	2.4
107.04948	2.9
107.08611	3.1
108.08107	2.1
109.02865	3.1
110.06044	17.1
111.04403	2.8
112.07594	3.4
113.09660	4.1
116.98647	3.4
119.04982	9.0
121.10150	1.9
122.06027	14.4
123.04422	4.5
123.06815	14.8
123.07613	2.1
123.07924	1.5
124.03950	2.7
124.07603	15.1
125.05989	1.8
126.05531	2.1
129.05470	4.1
130.06485	2.2
131.08585	3.7
133.06526	2.6
133.10081	1.6
135.11653	1.9
136.07564	19.4
137.05956	2.2
138.05499	7.4
140.07088	9.7
140.07986	1.8
141.07849	9.3
142.08649	16.9
143.08559	2.5
146.02713	5.9
146.06096	2.5
146.09622	1.9
147.04407	46.8
147.05531	3.7
150.05507	59.1
151.03981	2.4
151.06294	46.9
152.07072	30.7
153.01831	5.0
154.08643	17.0
156.06566	2.9
158.09711	2.7
159.08002	2.3
161.05991	3.1
162.07782	1.6
166.05048	3.3
167.07248	2.2
168.06557	27.9
172.07614	2.0
174.09134	2.3
175.12364	2.8
179.08342	1.8
185.09627	2.2
186.09196	6.0
188.09412	8.3
191.11906	2.1
193.08812	1.8
200.10823	1.9
201.06593	2.3
201.10278	1.9
203.11839	14.7
204.10095	2.1
208.02869	5.0
208.09894	1.9
209.10738	12.2
210.09250	1.8
214.08672	1.8
215.08116	13.5
216.08774	8.3
219.11349	2.2
221.08073	1.7
221.12927	4.1
222.07921	3.6
227.08118	7.5
227.11848	4.8
228.10161	7.3
229.09767	16.4
231.11362	21.2
237.10277	7.5
240.09024	3.6
242.10539	5.5
243.11310	3.2
245.12976	3.7
246.11226	9.3
247.06068	2.2
249.12366	34.7
255.11330	22.4
256.09702	3.8
260.11578	27.7
263.13873	2.2
273.12366	48.7
274.10632	9.4
291.04913	1.9
291.13391	78.7
292.11719	4.4
309.06302	5.1
309.14462	100.0
310.14783	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	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
55.05503	3.8
56.96548	4.6
57.03439	3.3
58.39066	1.7
61.02916	3.1
64.86466	1.9
67.05500	8.9
67.55688	1.5
68.05042	2.2
69.03434	8.6
69.07068	3.3
71.04979	4.0
71.54087	2.7
72.08160	1.8
73.02899	2.7
75.04498	2.1
77.38537	1.5
79.05496	5.6
81.03433	4.6
81.07051	4.9
82.06570	3.6
83.04974	3.4
83.08613	2.5
85.02901	16.8
85.06542	2.6
91.05457	10.1
93.03407	1.7
93.07045	2.4
94.06567	8.1
95.04958	6.2
95.08601	2.2
96.04471	7.6
96.08128	3.3
97.02889	2.8
97.06535	3.7
98.06055	4.2
98.97605	7.9
105.07023	2.4
107.04948	2.9
107.08611	3.1
108.08107	2.1
109.02865	3.1
110.06044	17.1
111.04403	2.8
112.07594	3.4
113.09660	4.1
116.98647	3.4
119.04982	9.0
121.10150	1.9
122.06027	14.4
123.04422	4.5
123.06815	14.8
123.07613	2.1
123.07924	1.5
124.03950	2.7
124.07603	15.1
125.05989	1.8
126.05531	2.1
129.05470	4.1
130.06485	2.2
131.08585	3.7
133.06526	2.6
133.10081	1.6
135.11653	1.9
136.07564	19.4
137.05956	2.2
138.05499	7.4
140.07088	9.7
140.07986	1.8
141.07849	9.3
142.08649	16.9
143.08559	2.5
146.02713	5.9
146.06096	2.5
146.09622	1.9
147.04407	46.8
147.05531	3.7
150.05507	59.1
151.03981	2.4
151.06294	46.9
152.07072	30.7
153.01831	5.0
154.08643	17.0
156.06566	2.9
158.09711	2.7
159.08002	2.3
161.05991	3.1
162.07782	1.6
166.05048	3.3
167.07248	2.2
168.06557	27.9
172.07614	2.0
174.09134	2.3
175.12364	2.8
179.08342	1.8
185.09627	2.2
186.09196	6.0
188.09412	8.3
191.11906	2.1
193.08812	1.8
200.10823	1.9
201.06593	2.3
201.10278	1.9
203.11839	14.7
204.10095	2.1
208.02869	5.0
208.09894	1.9
209.10738	12.2
210.09250	1.8
214.08672	1.8
215.08116	13.5
216.08774	8.3
219.11349	2.2
221.08073	1.7
221.12927	4.1
222.07921	3.6
227.08118	7.5
227.11848	4.8
228.10161	7.3
229.09767	16.4
231.11362	21.2
237.10277	7.5
240.09024	3.6
242.10539	5.5
243.11310	3.2
245.12976	3.7
246.11226	9.3
247.06068	2.2
249.12366	34.7
255.11330	22.4
256.09702	3.8
260.11578	27.7
263.13873	2.2
273.12366	48.7
274.10632	9.4
291.04913	1.9
291.13391	78.7
292.11719	4.4
309.06302	5.1
309.14462	100.0
310.14783	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01866	5.5
55.05504	4.5
57.03441	27.4
57.07071	2.5
59.05006	1.4
65.03933	1.6
67.05510	31.6
68.65914	1.2
69.03437	2.7
69.07055	4.6
69.51860	9.6
71.04980	4.7
75.30044	1.2
75.36324	1.1
79.05501	13.1
81.07047	13.0
83.04964	3.1
83.08609	2.6
85.02926	2.1
85.06548	27.4
91.05482	13.7
93.07050	11.2
95.04369	2.4
95.04977	45.9
95.08591	8.3
97.06509	3.7
105.07041	9.6
107.04952	2.9
107.08598	9.8
109.05790	2.9
109.06522	40.4
109.10178	3.3
113.06016	100.0
117.06998	6.9
119.04921	2.4
119.08576	5.4
121.06505	2.9
121.10159	2.9
123.08062	2.4
129.07005	4.0
131.08540	9.2
133.06508	1.4
133.10141	4.8
133.72375	1.3
135.08063	30.4
135.11720	4.0
143.08595	3.3
145.10129	5.7
147.04440	4.8
147.08026	2.4
149.09595	4.0
155.08559	2.0
157.10126	3.5
159.11743	3.3
161.09663	4.7
163.11163	1.5
171.11687	1.8
173.13255	2.4
175.11241	1.8
185.13200	2.3
189.82980	1.3
195.13782	2.0
199.14833	2.1
201.12794	2.9
212.93546	1.6
217.15889	12.5
227.17929	2.0
245.18874	1.3
255.17406	1.6
273.18524	18.0
276.16235	1.3
291.19574	50.0
291.22910	2.6
309.20663	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	309.2061
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03932	1.6
54.79665	0.8
55.01866	3.4
55.05511	17.7
56.96553	2.0
57.03421	0.8
59.04994	1.2
59.34978	0.8
60.45354	0.8
67.05507	11.9
69.03422	3.6
69.07063	10.3
69.79462	1.5
69.79874	3.3
71.04965	1.3
79.05492	12.3
81.03408	3.1
81.07056	15.1
83.04977	3.5
83.08614	11.1
91.05473	7.5
93.07043	9.6
95.01358	0.7
95.04961	4.4
95.08604	7.7
97.02869	2.4
97.06515	1.6
97.10166	14.7
98.21409	1.2
105.07060	6.8
107.04945	2.4
107.08599	7.2
109.06518	1.9
109.10141	3.1
111.04408	1.0
111.08057	1.4
117.06982	2.5
119.04967	1.1
119.08599	8.4
121.06483	2.1
121.10107	3.6
123.08064	4.7
125.09634	10.8
129.07002	2.1
131.08577	4.4
133.06509	1.1
133.10124	2.2
135.08044	3.0
135.11691	1.0
137.09634	1.9
139.11177	0.9
141.33897	0.9
143.08554	2.0
145.10136	3.1
147.04417	1.4
147.08011	3.9
147.11687	1.8
149.09695	1.6
153.09102	1.0
157.10164	1.1
159.11655	1.5
161.09622	2.1
163.11162	1.8
165.09196	2.2
175.11208	1.1
189.11247	6.9
191.10617	0.8
193.12343	1.1
212.78694	0.8
221.11769	0.9
223.13297	4.9
245.18959	1.1
247.17105	1.0
249.14772	1.7
254.94815	1.0
255.17497	1.9
268.09238	1.1
273.18533	8.5
277.65948	1.2
286.10425	1.9
291.19531	100.0
292.19867	1.8
309.20590	3.1
309.25842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	5.2
55.01876	15.8
55.05269	1.9
55.05511	25.5
56.06538	1.5
56.96555	6.5
57.03419	5.3
57.07070	3.0
57.49498	1.7
59.04979	2.8
61.98832	1.4
65.03905	3.1
66.64726	1.6
67.05507	68.4
69.03414	6.2
69.06722	2.3
69.07070	29.8
69.41479	12.7
71.04994	10.5
73.02892	1.7
74.93080	1.6
79.05069	2.9
79.05496	41.7
81.03401	6.9
81.07059	81.1
83.01335	3.5
83.04989	12.4
83.08611	11.5
85.02880	3.5
85.06548	8.3
91.05486	56.8
93.07050	41.8
95.04965	12.3
95.08052	2.3
95.08611	27.7
97.06548	8.1
97.10149	5.5
98.20759	3.7
99.04433	5.1
99.08092	3.9
100.77370	1.7
102.35168	1.8
105.07035	55.4
107.04923	6.2
107.08598	55.4
109.02866	1.8
109.06532	10.3
109.10159	79.1
111.04425	7.7
111.08106	8.4
113.05985	3.7
117.06992	7.4
119.04906	3.0
119.08587	19.0
121.06490	10.3
121.10151	12.7
123.04452	2.5
123.08045	7.6
123.11732	12.5
125.06008	3.4
125.09622	4.5
127.07530	5.0
127.57832	2.0
128.06201	2.6
129.07008	5.4
131.08575	11.2
133.06480	8.0
133.10136	100.0
135.08029	5.7
135.11678	12.0
137.09602	5.4
139.07529	5.4
140.61716	1.7
143.08578	9.9
145.10104	11.7
147.04446	4.3
147.08072	10.9
147.11674	6.8
149.09592	7.3
149.13274	2.9
151.11191	65.5
153.29388	1.8
157.10185	5.0
159.11679	5.7
161.09631	12.9
161.13223	2.9
165.09076	2.1
169.12256	22.3
171.11711	8.0
175.11191	4.5
177.09113	2.3
179.10637	2.4
181.08644	2.5
181.12148	2.0
181.17836	1.7
185.13240	2.8
187.11182	2.1
188.77298	1.8
189.12753	3.3
190.95181	2.4
193.12172	1.8
199.11119	2.7
203.14346	2.2
207.13817	2.4
212.93648	1.7
213.12860	1.6
213.16391	2.2
215.12749	7.0
227.18042	3.9
239.18146	1.6
245.19057	16.8
255.17210	2.5
263.20111	15.8
273.18478	35.3
277.21530	2.5
286.10602	1.9
291.19547	59.6
309.13141	2.6
309.17380	2.6
309.20612	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	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01868	1.5
55.05513	3.8
56.96565	0.5
57.03437	1.9
57.07074	1.3
58.25806	0.4
59.05003	0.9
61.02929	2.2
65.03944	1.1
67.05505	4.3
69.03430	13.5
69.07067	6.4
70.12463	0.7
70.12856	1.1
71.04990	1.6
73.02923	0.6
79.05488	3.6
81.03423	2.2
81.07056	7.4
83.04983	1.7
83.08615	1.4
85.02898	5.3
85.06552	1.2
87.04469	3.2
91.03944	1.0
91.05482	9.9
93.07049	5.8
95.04955	2.0
95.08602	10.4
97.02895	4.7
97.06536	1.0
97.10169	1.7
98.97601	0.8
99.04440	2.9
99.08096	1.2
105.07034	7.7
107.04938	1.0
107.08597	7.2
109.02895	1.9
109.06496	1.7
109.10170	5.4
111.04452	0.8
111.08082	3.0
111.11729	0.8
113.09573	0.5
115.03930	2.3
117.07027	1.7
119.04942	20.7
119.08587	9.6
121.06515	1.6
121.10141	5.2
123.04421	0.6
123.08090	1.1
123.11702	2.5
125.06023	0.4
125.09636	0.9
127.03923	5.7
128.06227	0.5
129.07018	1.2
131.08586	2.3
133.04962	1.4
133.06487	0.9
133.10112	6.3
135.08043	1.1
135.11673	2.9
137.09589	1.8
137.13268	0.8
139.11174	1.0
141.06987	0.6
142.07788	0.9
143.08569	2.2
145.10135	4.6
147.04408	100.0
147.11703	3.1
148.04730	1.0
149.09610	1.3
149.13235	0.8
151.07515	0.6
153.12721	0.5
155.08559	0.8
156.09352	0.8
157.10107	3.3
159.08064	0.5
159.11711	2.8
161.09616	1.5
161.13248	2.5
163.11177	1.1
163.14806	3.0
165.05527	2.2
165.09189	0.4
169.08685	0.4
169.10127	1.1
170.10760	0.5
171.11729	2.3
172.12384	0.5
173.09607	0.8
173.13255	2.3
175.11223	0.7
175.14821	12.2
177.12790	0.7
177.16353	2.6
178.16702	0.3
179.10686	0.4
182.10999	0.4
185.05893	0.4
185.13297	1.7
187.07486	0.4
187.11220	0.6
187.13358	0.4
187.14799	2.3
189.12822	0.9
189.16405	1.9
191.10577	0.5
191.17973	0.5
193.15805	0.6
197.13269	1.1
199.11253	0.5
199.14803	1.2
201.16365	2.1
203.06999	0.6
203.10635	0.5
203.14311	0.6
213.12860	0.5
213.16437	0.7
215.14272	1.2
215.17868	0.4
217.12239	0.8
217.15865	2.3
219.17432	3.9
227.17921	1.1
229.08345	0.4
231.06560	1.0
231.13818	1.2
233.15201	0.4
234.06700	0.5
237.16261	0.4
243.17375	0.7
245.18956	0.6
249.09358	0.9
255.17456	1.9
261.18408	1.1
265.08246	0.4
273.18494	5.5
276.25821	0.3
277.08533	1.2
281.11804	0.5
291.08652	2.3
291.11758	0.4
291.19525	3.9
291.22699	0.6
294.08713	0.4
309.10779	1.3
309.16843	2.3
309.20551	24.9
309.27643	1.3
310.23901	0.4
326.26630	0.4
333.01721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.98700	1.2
53.03945	2.7
55.01857	2.9
55.05515	16.3
57.03425	5.3
57.07067	4.2
65.03936	2.1
67.05504	43.3
69.07068	17.0
69.44656	8.6
69.45077	2.5
71.04989	3.7
71.08629	45.5
79.05491	41.2
81.03392	6.2
81.06583	2.6
81.07056	48.4
83.04976	13.9
83.08610	7.1
85.06515	3.3
91.05479	23.5
93.07043	55.4
95.04963	10.7
95.08601	36.3
97.06528	10.7
97.10158	4.2
98.21562	3.3
99.08089	45.1
105.07035	14.9
105.44286	1.3
107.04931	6.4
107.08597	27.5
109.06502	5.3
109.10141	11.6
111.08058	2.9
113.06062	1.5
113.09624	2.4
117.07021	4.8
119.08565	15.8
121.10137	28.5
123.04434	2.4
123.08045	2.6
123.11670	2.3
127.11143	1.6
129.06999	3.9
129.92358	1.3
131.08543	5.4
133.10132	12.4
135.08051	1.6
135.11696	34.2
137.09570	5.0
139.11171	2.0
141.09085	2.9
142.62964	1.4
143.08539	3.9
145.10088	5.3
147.11647	3.8
149.13251	7.8
150.63313	1.8
151.11200	17.9
153.12717	3.4
157.10094	2.1
159.11684	3.6
161.13271	10.3
163.11145	6.7
163.14813	1.9
167.10600	2.7
171.11731	3.1
173.13266	1.8
175.14771	1.4
177.12700	4.2
179.14310	100.0
185.13283	2.4
189.12691	2.8
195.13794	2.3
207.13907	2.0
221.15370	2.6
235.16852	4.6
259.20599	6.5
277.21619	66.7
291.19867	1.5
291.23203	1.5
297.19397	1.8
309.16946	3.7
309.24316	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	310.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01866	1.3
56.96566	3.4
57.03423	2.2
57.07049	1.5
60.12993	0.7
61.02911	2.9
67.05503	5.3
69.03436	7.8
69.07076	19.6
70.01057	4.4
71.04999	4.3
73.02924	2.6
81.03430	5.2
83.04984	2.2
84.08111	0.9
85.02913	18.1
85.06549	73.6
86.03249	1.0
91.03970	1.2
93.07054	1.9
95.04990	6.5
96.04507	0.9
97.02914	9.3
98.97591	6.2
99.04465	2.8
101.06058	0.9
103.05478	3.6
105.07049	1.0
107.04937	1.3
109.02870	5.4
110.06029	1.5
110.97573	2.5
111.04420	1.1
113.06013	89.7
115.03938	0.9
116.98621	2.9
117.07052	0.8
120.08112	61.1
121.02860	1.4
121.06530	0.9
124.03944	1.5
127.03926	8.1
128.98640	1.6
131.07051	100.0
133.02867	1.0
137.05974	3.4
140.07007	0.8
141.05539	1.2
145.04973	3.6
146.06068	1.0
148.09653	2.0
149.06073	1.1
150.05518	0.9
153.01828	1.5
158.99672	1.7
161.07114	4.1
166.04980	2.0
166.08601	3.6
177.00674	1.7
177.05521	1.0
179.27461	0.9
184.02216	1.4
191.07079	1.1
208.09718	1.5
219.01811	3.7
237.02841	2.2
257.09360	1.0
292.11813	1.4
310.05200	2.0
310.08951	1.5
310.13535	4.3
311.07397	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13073	1.3
56.96558	3.6
57.03444	2.5
58.43488	1.3
61.02913	5.1
67.05513	1.5
69.03436	12.3
69.07066	2.4
69.14784	1.2
69.37420	3.9
69.37841	5.8
71.04996	3.0
72.08211	1.1
73.02924	3.2
79.05505	2.4
80.59726	1.2
81.03411	4.1
81.07032	1.4
82.06567	3.4
84.08143	1.8
84.96049	1.4
85.02510	1.4
85.02922	15.6
87.04473	2.4
91.05479	2.7
93.07053	1.5
95.08601	1.5
95.70335	1.2
96.04482	1.4
97.02898	9.7
98.97591	21.8
99.04454	1.6
105.03417	2.1
105.77415	1.1
107.04922	1.1
109.02900	1.5
109.06516	2.0
110.06045	100.0
110.97565	2.9
112.07620	2.8
113.06027	1.9
114.06341	2.2
116.98609	8.3
119.04910	1.4
119.87929	1.2
124.07584	3.4
127.03922	5.4
128.98598	2.3
131.04924	2.7
133.18120	1.3
134.99716	1.5
136.07584	4.0
137.06007	8.7
140.07068	33.4
142.08635	3.7
145.04950	2.9
146.99696	1.5
147.04431	2.7
149.06107	2.9
149.07198	1.8
152.07050	1.5
154.08647	5.7
158.99673	8.7
162.05453	5.1
163.07474	1.2
172.09676	2.4
177.00719	5.6
177.05396	2.8
178.01189	1.2
191.07033	1.5
201.09125	1.4
209.11707	1.1
219.01813	4.1
221.07808	1.5
225.07170	1.5
234.07497	7.3
235.36496	1.3
237.02853	4.9
258.11380	1.4
275.13889	4.4
276.12323	1.3
284.59970	1.5
293.11566	2.2
293.14951	18.9
305.09055	7.2
311.07767	1.7
311.11298	6.1
311.15997	35.7
323.10242	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	311.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84529	1.2
53.03931	4.7
55.01865	4.9
55.05515	1.7
56.96556	3.5
57.03441	10.8
61.02916	3.9
65.03932	1.4
67.05508	1.9
69.03436	33.4
69.07073	6.0
69.25794	5.0
69.26218	6.8
70.07413	1.2
71.01353	3.7
71.04982	5.3
73.02911	6.8
74.00211	1.3
79.05492	5.2
81.03423	7.2
81.07049	2.5
83.04989	2.0
85.02916	32.9
85.06556	2.2
86.03226	1.2
87.04475	2.1
91.04962	1.2
91.05466	6.2
93.07033	2.0
95.04955	2.7
95.08603	1.4
97.02898	35.6
98.97598	6.2
99.04449	4.5
103.03945	5.3
103.05458	8.5
105.03487	1.7
107.04960	6.2
109.02874	3.6
110.06055	13.9
110.97537	2.0
111.04414	1.7
113.05989	4.0
113.09680	2.8
114.06374	2.9
115.03938	7.0
115.05475	4.8
116.98627	2.7
117.07022	5.3
119.04953	11.4
120.08102	3.9
121.06527	3.4
121.08429	5.1
122.03632	4.6
122.06054	1.9
123.04426	3.9
124.07561	1.8
127.03918	23.4
129.05479	3.2
131.04921	17.0
131.07018	6.4
131.08638	1.4
131.10658	2.2
132.07402	5.9
133.02840	3.9
133.05064	1.5
133.06454	1.6
133.07613	4.1
135.04410	5.3
136.07587	9.7
137.05984	75.7
138.05536	1.6
140.07059	6.7
141.07013	5.4
143.04929	3.1
145.04977	5.1
145.06461	6.3
147.04414	20.0
148.05191	1.4
149.02121	23.4
149.06030	24.8
149.07141	5.0
151.03979	8.0
151.07532	6.8
153.01891	1.8
153.03976	2.0
154.08643	5.7
157.06534	2.1
159.04517	6.6
160.05223	5.8
161.05957	4.0
161.07112	45.8
162.03168	3.1
163.07549	12.0
164.04811	3.0
165.05499	2.4
167.07008	8.2
169.06436	9.1
173.05934	3.2
175.04047	1.3
175.07561	9.5
175.08836	2.4
176.04744	3.6
177.05472	36.5
177.09041	2.6
179.07033	14.2
183.04518	3.5
183.50732	1.3
185.04257	5.1
185.05937	2.2
187.07512	7.1
188.04672	2.0
189.05418	3.0
190.06346	1.4
191.06966	27.8
197.06017	6.8
200.04691	1.9
201.05478	3.5
201.08922	2.8
201.10468	3.1
203.07018	11.3
204.07442	1.7
205.08664	4.5
207.06564	2.1
213.05563	1.5
214.06142	1.9
215.07007	13.0
217.08614	3.4
219.06671	2.6
221.08151	6.8
229.08502	14.1
233.07982	7.5
237.02800	2.2
245.09357	8.0
247.09685	2.1
257.09082	14.3
275.09665	8.0
275.13730	1.1
287.05750	1.5
293.11206	15.9
293.14938	3.0
311.07407	100.0
311.11801	10.1
311.16141	7.8
330.87259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
59.87914	0.2
65.03952	0.4
67.04251	0.6
67.05503	0.7
69.03411	0.3
69.96457	0.5
69.96842	0.5
71.82379	0.2
80.05041	0.2
81.07076	0.3
82.06590	2.4
84.08155	0.3
85.02891	0.3
94.06586	0.3
95.04983	0.4
97.02917	0.2
98.21464	0.3
98.97582	0.5
105.03396	0.7
107.04986	0.7
108.08153	0.2
108.41505	0.2
109.06532	0.8
110.06055	100.0
111.06394	0.3
112.07611	3.2
122.06030	0.5
123.06780	0.3
124.07588	0.8
135.04442	0.5
136.07570	0.5
137.06036	0.3
138.09181	0.5
140.07082	29.8
142.08653	3.6
152.07039	0.4
154.08643	2.4
156.06583	1.7
156.10196	0.4
159.91263	0.3
172.09686	2.9
184.24004	0.2
208.09744	0.5
230.11777	0.9
248.12848	0.6
251.13959	0.9
257.12915	0.6
258.11340	1.0
275.13913	3.2
276.12350	1.4
293.14981	12.2
311.16040	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	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
55.05255	0.2
55.05516	0.7
60.96183	0.2
65.03936	0.3
67.04250	0.8
67.05493	0.9
69.03426	0.4
69.07063	0.3
69.92364	0.8
79.05482	0.2
80.05013	0.4
82.06580	3.0
84.08141	0.6
85.02939	0.3
85.06547	0.3
86.29700	0.2
94.06557	0.3
95.04958	0.4
95.08611	0.3
96.04501	0.8
97.02926	0.4
105.03368	0.3
107.04982	0.4
108.08121	0.3
109.02890	0.3
109.06539	0.7
110.06044	100.0
111.06397	0.3
112.07603	2.8
117.14275	0.2
122.06016	0.9
124.07575	0.7
135.04439	0.5
136.07591	0.7
137.05959	0.5
140.07068	30.8
142.08633	2.8
154.08620	2.2
156.06577	1.6
156.10188	0.5
172.09697	2.9
177.05513	0.3
208.09534	0.3
230.11781	0.8
233.12796	0.3
248.13019	0.5
251.13892	0.9
257.12903	0.3
258.11243	0.5
275.13922	4.0
275.16714	0.3
276.12115	1.1
293.14941	12.8
294.09824	0.2
311.16010	25.2
312.16309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05514	0.6
56.96558	0.9
57.51180	0.3
61.02927	0.6
63.22586	0.3
67.04236	0.8
67.05508	1.6
69.03433	0.4
69.07069	1.2
69.52065	2.1
70.06586	0.3
79.05504	0.5
79.59960	0.3
80.05015	0.4
81.03427	0.7
81.07075	0.5
81.92514	0.3
82.06587	3.3
83.08616	0.6
85.02917	1.1
85.06548	0.6
91.05495	0.5
93.07068	0.8
94.06572	0.6
95.04971	1.0
95.08610	0.6
96.04479	0.6
97.02901	0.9
97.42235	0.4
98.97582	1.3
105.03420	0.5
105.07065	0.4
107.04982	1.0
107.08625	0.5
108.03681	0.3
108.08134	0.5
109.06542	1.3
110.06056	100.0
112.07623	2.7
116.98652	0.6
122.06059	1.4
123.04433	0.6
124.07616	1.4
127.03940	0.6
133.02792	0.4
135.04430	1.0
136.07593	0.9
137.06006	0.7
138.09160	0.8
140.07082	31.4
142.08662	3.6
149.05904	0.6
153.01883	0.7
154.08655	3.9
156.06546	1.8
159.08145	0.5
167.07080	0.5
172.09705	2.2
208.09579	0.5
209.11766	0.4
220.13226	0.6
230.11855	1.0
233.12956	0.9
239.38020	0.4
247.14520	0.4
248.12971	1.2
251.10840	0.4
251.13995	0.7
251.56372	0.5
257.12906	0.7
258.11310	1.4
275.09595	0.4
275.10895	0.4
275.13913	4.7
276.12262	2.3
293.14984	20.2
310.61694	0.4
311.05780	0.4
311.11130	5.3
311.16107	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.07886	0.7
51.58940	0.6
52.94998	0.7
53.00329	0.6
53.03934	2.1
55.01869	1.3
55.05516	40.8
56.96558	1.9
57.03443	15.6
57.06800	0.8
57.07080	20.4
67.05507	9.0
69.07072	45.7
69.35941	5.7
69.39886	0.7
71.04997	1.0
71.08636	10.9
72.36135	0.6
79.05497	5.0
81.07063	12.1
83.04988	1.9
83.08623	40.7
85.06548	2.0
85.10191	4.3
91.05500	1.0
93.07065	7.4
95.08610	11.1
97.06555	5.2
97.10176	26.2
100.02502	1.4
105.07054	1.5
107.08596	6.3
109.10163	4.9
111.04462	1.9
111.08083	3.0
111.11720	9.6
121.10155	7.1
123.11730	2.7
125.05945	0.7
125.09598	2.0
125.13276	2.0
131.08575	0.9
133.10106	1.0
135.04427	3.2
135.11728	5.9
137.13263	0.9
139.11201	1.3
145.10201	0.8
149.13231	3.5
153.05525	1.2
153.12773	1.4
161.09700	1.4
163.14816	1.8
173.59346	0.7
177.16302	0.8
181.12282	0.8
191.10678	0.8
209.11757	8.6
209.13474	1.1
219.21114	1.7
237.11226	7.8
240.17401	1.2
255.12296	1.2
260.68616	1.0
275.23785	2.4
293.17673	0.9
293.24860	5.4
311.25830	100.0
329.84811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01890	0.6
56.96560	0.9
57.03440	1.0
61.02929	2.0
69.03438	3.8
71.04996	1.1
71.52739	0.3
73.02917	1.1
74.09718	1.0
81.03428	1.8
83.01324	0.2
85.02911	8.9
87.04479	0.8
91.03984	0.7
97.02900	3.9
98.97590	2.6
99.04457	0.7
101.00858	0.3
105.51427	0.3
108.05627	0.3
108.73383	0.3
109.02888	1.1
109.05109	0.4
115.03971	0.3
116.98644	0.9
119.01905	0.6
123.04478	0.3
127.03913	2.6
132.08076	0.4
133.05070	10.4
136.06180	0.3
140.07074	0.3
140.92305	0.2
143.01962	0.5
145.03418	0.4
145.04988	2.4
146.05081	0.3
150.07762	100.0
151.08044	0.3
155.02055	0.4
161.03032	0.3
181.01749	0.3
185.02907	0.4
219.01788	0.3
221.05043	0.3
230.06461	0.2
230.56741	0.3
275.02167	0.4
289.95023	0.3
303.01401	0.9
311.59116	0.4
312.13034	35.5
330.02289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01866	2.2
55.05519	3.9
56.68912	0.6
56.96562	1.3
57.03438	5.5
57.67894	0.6
59.04994	1.3
61.02928	10.9
69.03078	1.3
69.03429	16.6
69.07069	14.3
69.91542	1.7
69.91940	1.2
71.04986	2.9
73.02924	4.0
73.06559	16.5
81.03406	6.3
85.02905	100.0
86.09715	1.1
87.04478	4.4
87.08112	17.8
91.03946	8.0
91.05508	1.0
97.02892	24.4
98.20805	0.9
98.97584	2.2
99.04430	3.5
103.03881	0.7
105.09135	2.3
109.02865	8.5
115.03953	1.4
115.07578	6.7
116.98655	1.1
122.05966	1.0
127.02975	1.1
127.03919	23.0
133.08600	16.2
136.41583	0.7
137.06001	0.8
140.07089	2.0
141.07436	1.3
145.04962	48.7
150.05519	0.9
162.05542	1.6
163.06001	12.5
250.10811	0.8
255.19484	0.7
295.13821	0.9
303.09055	0.7
312.11246	0.7
312.16318	2.5
312.32715	0.7
330.15039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01877	1.3
57.03435	5.3
61.02932	12.3
62.97443	0.9
69.03435	16.9
69.07072	11.7
69.85872	2.1
69.86270	1.6
71.04982	3.5
73.02914	3.7
73.06573	1.3
81.03423	6.3
82.03786	0.8
85.02912	100.0
87.04481	1.4
87.07621	1.3
87.08118	19.0
91.03960	8.5
93.57248	0.8
97.02898	24.4
98.97596	1.4
99.04442	4.1
100.39199	0.9
105.09142	1.9
106.11114	0.8
107.02599	0.8
108.21306	1.0
109.02884	8.7
115.03930	1.1
115.07651	0.8
127.02983	1.3
127.03923	26.3
133.08644	5.8
145.04967	54.4
158.64240	0.8
163.06032	16.4
184.56795	0.8
250.10854	1.3
287.12653	0.9
312.16248	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	0.5
55.05516	6.9
57.03440	14.9
57.07079	45.8
58.47676	0.4
59.04993	0.8
67.05179	0.7
67.05510	10.1
67.05843	1.1
69.07073	8.8
70.08899	2.1
71.05024	0.5
71.08635	30.7
71.12504	0.5
75.04464	0.5
79.05482	1.2
81.07062	12.9
83.04994	0.6
83.08623	9.4
85.10188	17.0
88.25578	0.5
89.06027	2.3
91.05447	0.9
91.57932	0.5
93.07032	1.1
95.08611	18.9
97.10191	4.9
98.20886	0.5
99.11700	0.9
103.07576	2.2
107.08643	0.9
109.10160	8.1
111.08022	0.6
111.11755	1.1
113.13296	0.5
117.09095	1.0
123.11706	3.4
125.13318	0.7
135.11691	0.5
136.53108	0.5
137.13280	1.3
139.28004	0.5
159.11754	0.6
198.09380	0.5
205.13600	0.5
205.15941	0.6
221.22647	1.1
239.23706	3.0
257.24799	4.6
298.27304	0.9
313.27390	100.0
314.27664	1.0
315.23590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05308	0.5
55.05511	5.4
57.03442	15.4
57.07079	44.4
67.05511	8.5
69.07069	9.1
71.04967	0.5
71.08636	29.1
74.64751	0.4
75.04475	0.5
79.05495	0.8
81.07066	13.2
83.08624	8.8
83.09105	0.6
85.10188	16.2
89.06020	2.5
93.07040	1.0
95.08612	16.2
97.10166	5.1
103.07580	1.8
107.08595	0.7
109.10165	7.4
111.11699	1.1
117.09119	0.7
121.10136	0.7
123.11710	3.0
125.13264	0.6
135.11739	0.6
137.13231	1.6
151.14828	0.7
212.23892	0.8
239.23727	3.8
257.24792	3.8
298.27527	0.6
313.27383	100.0
314.27527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05313	0.6
55.05519	6.2
57.03444	18.2
57.07080	55.2
63.53774	0.7
67.05511	10.3
69.06721	0.9
69.07072	9.2
69.26541	2.2
69.26965	3.8
71.08639	34.3
79.05491	1.2
81.07058	12.7
83.04980	0.7
83.08626	11.1
85.06541	1.0
85.10188	17.8
89.06037	2.9
93.07054	1.6
95.08619	18.9
97.06515	1.3
97.10178	5.5
98.20732	1.3
99.11687	0.7
103.07573	2.4
107.08527	0.8
109.10162	8.7
117.09135	0.7
119.08585	0.8
121.10171	0.8
123.11740	3.8
125.13265	1.0
137.13242	1.4
150.45168	0.6
176.15442	0.7
215.92073	0.8
239.23694	4.3
257.24768	3.8
298.27145	0.8
313.27399	100.0
314.28036	0.9
328.59213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05726	0.2
52.62654	0.2
52.83465	0.2
67.34814	0.3
69.03425	0.3
81.03416	0.5
83.22280	0.3
85.02897	0.5
85.15522	0.2
86.90975	0.2
89.03931	0.3
95.65343	0.2
98.21636	0.5
109.02882	0.5
117.03380	0.7
127.03921	0.3
129.03357	0.3
131.04939	0.8
131.12979	0.3
135.04367	0.3
137.05974	0.3
145.02844	2.2
147.04417	0.5
153.01837	3.2
157.02812	0.8
159.04448	0.4
161.05978	0.3
173.02344	3.7
175.03929	0.6
185.02362	1.7
187.03935	1.3
189.01981	0.3
191.03418	0.3
201.01848	9.6
203.03424	1.2
205.01230	0.3
208.05144	1.5
211.00266	0.4
213.01846	1.9
215.03329	1.1
228.99245	0.5
229.01340	6.1
231.02893	2.7
236.04720	0.6
238.41794	0.2
238.99867	0.4
241.01344	3.3
243.02896	1.0
254.05811	0.6
255.10155	0.3
257.00818	33.1
259.02365	3.2
269.00824	7.0
269.08115	0.9
271.02444	0.5
282.05286	0.3
283.09561	0.5
285.00314	25.3
287.01849	5.7
297.00320	3.7
315.01349	100.0
315.08591	2.5
316.01736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01577	0.3
50.08994	0.2
51.02383	0.7
53.03940	0.9
57.03423	0.6
60.29125	0.2
61.02916	0.4
67.03809	0.2
69.03430	4.5
71.04987	0.5
71.30074	0.3
73.02909	0.2
79.01858	3.9
79.04908	0.2
81.03418	7.0
85.02908	4.5
97.02896	2.4
99.04456	0.8
107.01333	1.9
107.57609	0.2
109.02878	4.3
111.78288	0.2
125.02356	3.3
127.03925	5.7
135.00723	0.3
135.06369	0.3
140.07832	0.2
143.03395	5.5
145.05000	0.3
153.01833	100.0
153.02864	4.9
154.02122	0.3
171.02884	4.8
233.04610	0.2
237.04031	0.3
297.06058	4.4
315.07059	2.1
315.14407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0713
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.01598	0.2
50.26017	0.2
51.01105	0.2
51.02380	0.4
53.03939	0.7
54.03143	0.2
55.01869	0.4
57.03428	0.6
61.02935	0.2
64.95664	0.2
69.03085	0.3
69.03436	4.3
69.87447	1.0
71.05000	0.4
79.01863	3.7
81.03429	6.9
85.02429	0.3
85.02917	4.8
93.98995	0.2
95.12011	0.2
95.29779	0.2
97.02908	3.0
98.97591	0.6
99.04459	0.8
107.01324	2.3
109.02898	4.9
117.34841	0.2
123.00812	0.3
123.04417	0.2
125.02355	3.6
127.03944	5.5
132.09778	0.2
137.05988	0.3
143.03406	4.8
144.30302	0.2
145.04984	0.3
153.01848	100.0
153.02872	4.9
154.02116	0.2
165.06760	0.2
171.02919	5.3
185.40425	0.2
251.93921	0.2
283.09714	0.3
297.06061	3.5
297.09225	0.1
315.07068	2.1
315.14142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03931	0.8
53.72691	0.2
55.01863	0.6
57.03430	0.6
59.05510	0.2
61.02948	0.3
69.03081	0.4
69.03431	5.6
70.93526	0.6
71.04993	0.5
73.02895	0.3
79.01855	3.7
81.03418	7.4
85.02903	4.6
97.02900	2.8
98.97561	0.2
99.04453	0.7
105.03408	0.5
105.06992	0.3
107.01334	2.1
107.04925	0.3
109.02884	4.9
120.22554	0.3
125.02351	3.6
127.03928	6.0
137.05887	0.2
143.03403	4.8
145.04965	0.5
153.01834	100.0
153.02869	5.0
163.03851	0.2
163.07414	0.2
171.02893	5.8
206.83818	0.2
207.02931	0.3
283.15375	0.4
297.06058	4.6
315.07132	2.0
315.14255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.14184	1.4
54.43484	1.5
55.01873	6.4
56.75913	1.5
56.96566	7.5
57.03441	10.3
57.07076	13.7
61.02925	12.2
67.05499	12.7
69.03436	32.2
70.03774	1.5
70.06583	3.7
70.20128	2.4
71.04992	4.9
73.02919	13.9
79.01845	2.3
81.03421	12.3
81.07050	1.5
82.99871	4.2
83.04955	1.7
85.02910	78.9
85.06541	4.6
86.03204	2.1
87.04485	2.4
91.03963	7.1
97.02892	30.0
98.03222	2.8
98.97591	11.6
99.04469	7.1
101.00906	15.6
101.02366	2.6
102.00948	1.5
108.08133	6.8
109.02898	8.1
109.08450	5.9
111.02898	1.6
113.00856	3.6
115.03924	2.4
116.98608	2.7
119.01926	12.5
120.94405	1.4
123.02940	2.6
123.05526	3.1
124.07526	1.4
125.02352	1.7
125.07903	2.1
127.02401	2.1
127.03920	31.5
131.01942	7.9
132.03484	2.3
135.06508	2.3
136.06223	1.6
136.07581	7.1
138.03395	2.0
139.02370	2.1
143.01906	100.0
144.02066	8.1
144.03348	1.5
145.03481	6.9
145.04987	13.6
147.04109	1.7
152.07088	4.0
153.00562	3.6
153.01826	53.4
153.02821	1.9
153.03911	4.0
153.05675	1.6
153.07402	5.4
154.08638	3.3
155.01910	17.6
157.03482	4.7
159.03241	2.3
161.02963	66.6
161.05922	3.1
162.03133	3.3
162.04482	3.3
163.02782	2.9
164.07126	3.7
165.04109	2.1
167.01904	4.5
169.03503	3.7
171.02930	2.7
171.05026	2.1
173.02975	14.6
174.04503	5.1
174.54544	1.7
175.04539	2.1
179.01855	3.2
183.05060	19.5
184.04439	1.7
185.02956	20.8
185.06503	2.3
187.02733	2.1
187.04546	2.4
191.04066	1.4
192.05598	10.3
197.02991	6.2
203.02425	1.7
203.04018	48.9
204.04184	3.7
204.07428	1.8
215.03990	2.3
216.07336	2.1
221.05063	6.2
225.07863	6.3
227.04062	3.7
227.07597	1.8
233.05225	3.0
234.08412	8.5
234.58557	1.8
237.02814	1.6
239.06000	3.1
245.02592	2.0
245.05070	36.5
246.05339	4.3
251.02406	2.4
257.05020	3.5
263.06128	28.0
264.06186	2.3
275.06128	11.0
277.86334	1.6
287.06433	2.1
287.09760	34.4
288.10101	4.3
293.03644	2.0
297.06030	2.5
297.11038	2.3
305.07211	6.0
305.10834	1.7
315.01804	2.4
315.07184	9.9
315.09958	20.8
316.13614	2.1
323.08499	2.6
333.08618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81663	3.4
55.42623	3.9
62.06083	5.7
66.60674	4.9
70.55286	13.5
101.00890	15.8
119.01934	32.7
120.86428	4.4
127.02403	7.2
137.02985	4.1
143.15778	4.7
145.03487	16.3
157.03415	9.1
169.03473	21.8
170.66850	4.7
171.05029	6.3
185.02957	9.7
187.04596	34.1
197.03004	4.4
215.04041	7.6
229.05571	19.3
234.08678	4.0
247.06551	11.3
275.06168	100.0
293.07254	20.0
330.25418	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	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21826	0.3
55.05523	0.9
69.03429	0.4
69.68267	1.2
69.68678	1.1
79.50117	0.4
81.07059	1.2
83.08647	0.4
88.28210	0.4
97.05269	0.5
98.06037	0.5
98.09669	0.5
108.08131	0.6
109.06535	1.1
110.06017	0.7
126.09171	0.8
134.89592	0.4
139.06303	0.8
154.08644	100.0
155.09006	0.6
280.84637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03930	0.5
55.05511	4.2
56.05035	3.6
57.03432	0.9
57.07073	3.1
58.06599	0.5
60.04527	100.0
63.35076	0.4
67.05505	8.3
68.04996	0.6
69.07071	4.7
69.98573	1.1
69.98963	0.9
70.06577	1.0
71.08659	0.9
72.04507	1.8
74.06076	2.4
79.05503	3.3
80.05002	0.5
81.07057	8.4
82.06602	1.2
83.04997	0.5
83.08639	3.0
87.04470	0.7
90.05553	1.1
91.05461	2.4
93.07064	2.6
94.06573	0.7
95.04956	0.7
95.08604	7.2
96.08140	1.0
97.10179	1.7
100.07642	0.8
105.07018	1.3
107.08595	1.5
108.08131	0.5
109.10174	2.5
119.08592	0.9
121.10137	1.9
123.11696	1.1
133.10129	1.1
135.11684	1.3
188.57402	0.4
245.22556	0.5
250.25333	1.4
262.25262	1.6
280.26385	12.5
298.27420	13.2
316.28458	55.4
317.28751	0.9
321.51184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0294
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
50.37096	0.2
52.12662	0.2
55.01857	0.2
69.35871	1.9
70.51509	0.2
72.64946	0.2
74.79920	0.2
81.07024	0.6
85.02903	0.3
89.03907	0.2
91.48435	0.2
98.97573	0.9
115.05496	0.3
116.98600	0.3
117.03368	1.2
119.88187	0.2
121.06530	0.2
123.04410	0.7
123.72530	0.3
134.03641	0.3
135.07945	0.2
137.05957	1.4
145.02838	2.7
149.05914	0.3
151.07516	0.3
158.99670	0.4
162.03154	1.2
163.03911	0.3
163.07445	0.2
165.05475	0.9
171.04370	0.3
173.02353	5.5
174.03093	0.3
183.00943	0.4
189.09077	0.6
190.02634	2.6
199.03983	0.4
201.01848	12.3
215.03362	0.3
218.02122	3.0
225.01765	0.6
227.03336	0.2
228.00589	0.9
229.01343	5.5
230.02016	0.3
243.02864	0.5
246.01610	5.7
247.02373	0.2
257.00821	35.4
258.01337	0.5
271.02353	1.2
274.01108	1.8
275.72369	0.2
283.99603	0.4
285.00308	48.1
286.01010	2.6
289.03308	0.3
299.01868	1.2
299.09500	0.8
302.00586	21.2
317.02930	100.0
318.03223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.8
55.05519	3.3
56.96574	10.4
57.03440	9.6
61.02934	11.0
63.90807	3.6
64.89157	2.9
69.03441	21.4
69.03753	3.4
69.70396	16.6
71.04978	5.6
73.02923	12.5
81.03429	10.9
84.08150	4.2
85.02913	52.5
87.04462	5.6
97.02885	24.2
98.03226	4.8
98.97600	24.4
99.04433	4.5
101.00896	19.4
109.02907	6.0
110.97548	6.2
112.99163	6.3
113.00878	6.8
115.02443	8.5
116.98605	7.0
119.01930	23.8
127.02488	5.0
127.03916	15.8
128.98604	5.5
129.04024	3.3
131.00211	5.0
131.01929	10.4
133.03455	10.7
137.02968	4.6
137.07999	4.5
140.55078	3.4
143.01933	25.4
145.03494	12.8
145.04959	11.4
146.05049	12.2
147.05042	7.3
149.02901	4.3
154.08621	7.1
155.01907	18.7
155.04512	7.1
155.05589	6.3
157.03508	10.0
158.99658	6.8
159.05051	5.9
161.02966	26.7
161.55736	4.4
169.03394	6.6
169.54655	3.6
171.05069	9.0
173.01306	4.1
173.02994	15.9
176.03319	4.0
178.04993	10.1
183.05135	4.0
185.02930	7.3
187.04491	5.8
189.02362	4.5
189.06056	6.8
193.03539	5.0
196.99355	4.8
197.06688	4.0
199.04457	5.3
201.06097	6.8
203.04042	13.0
211.04654	8.5
215.00435	6.5
219.01828	7.9
221.05099	19.9
227.07614	6.5
233.01418	7.4
233.98769	3.5
236.07494	9.5
237.02893	8.1
251.02444	7.8
255.07303	4.3
257.05215	7.9
259.06625	38.8
273.04562	6.0
274.97571	9.0
278.55215	4.4
291.06140	3.2
291.09326	10.2
293.03534	14.5
305.10626	3.8
309.10284	5.5
317.06146	76.2
317.08582	100.0
317.12131	25.1
335.08099	5.8
337.07858	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	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03942	0.4
55.01857	0.3
55.05498	0.3
57.03424	0.3
60.73260	0.2
61.02915	0.3
64.87605	0.2
65.03934	0.7
66.97773	0.2
67.05483	0.7
68.99780	0.6
69.03427	1.2
69.07059	0.4
71.54213	0.2
73.02907	0.2
79.05486	0.9
81.03433	1.0
81.07061	4.1
83.04991	0.3
85.02907	6.2
89.80629	0.2
91.05459	0.5
92.02622	2.4
93.03410	2.6
93.07052	0.7
95.04949	0.6
95.08605	2.0
97.02868	0.8
97.06554	0.2
103.03918	0.4
103.05418	0.3
105.03381	0.2
105.07043	0.7
107.04959	0.5
107.08559	0.4
109.02875	1.7
109.06532	0.4
109.10152	0.6
111.00767	0.3
111.04428	0.3
115.05457	0.3
119.08588	0.4
121.02881	1.8
121.06523	0.3
121.10129	0.5
122.03626	0.3
123.04417	1.3
123.08074	0.2
126.03118	0.9
127.03914	1.5
131.04903	0.5
131.08537	0.2
133.02785	0.3
135.04359	0.3
137.02327	0.5
137.05962	2.4
137.09599	0.3
137.13252	1.7
139.03900	1.2
139.11192	0.3
145.04953	2.1
145.06348	0.3
147.04393	0.5
147.11679	0.4
149.02298	0.2
149.06036	0.4
151.03896	1.4
151.07544	0.5
153.01833	15.5
155.06065	0.2
157.06506	0.3
161.05994	0.4
163.03880	0.9
163.06015	2.4
163.07431	0.4
165.01845	0.8
165.05484	1.5
165.06816	0.4
167.07062	0.3
167.10687	0.2
169.89291	0.2
171.04402	0.4
173.06032	0.4
173.09564	0.2
175.07503	0.3
177.05522	0.6
179.03438	0.3
183.02928	0.4
183.04408	0.2
189.09138	0.4
200.04649	0.7
201.01889	0.2
201.05443	1.4
203.03410	0.9
203.08798	0.2
211.03958	0.3
211.07492	0.4
217.04964	2.8
218.05742	0.9
219.02994	0.4
228.04160	3.4
229.04959	6.3
230.05635	0.3
231.02829	1.1
239.03500	0.3
239.06975	0.3
240.07970	0.3
245.04411	3.4
246.05211	2.8
256.03741	0.5
257.00690	0.4
257.04449	3.7
260.03204	0.8
261.03790	0.3
261.07681	0.6
267.06543	0.4
271.06085	0.4
271.09781	0.3
273.03918	3.3
274.04721	6.1
284.03110	0.5
285.00412	0.7
285.03903	6.8
286.50491	0.2
287.09308	0.3
287.12772	0.4
288.06262	0.3
299.09152	2.6
301.03287	0.4
302.01306	0.4
302.04211	19.4
317.06549	100.0
318.06952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1023
Annotation	2',4',4-Trihydroxy-3',3-methoxychalcone
Peak:m/z	Relative Intensity
53.03944	0.8
55.01876	5.2
56.16621	0.5
56.96566	1.1
59.75774	0.5
65.03931	1.1
67.05501	2.2
68.99798	5.6
69.03448	2.8
69.07058	1.8
70.06596	0.7
71.05014	0.6
77.03896	0.6
79.01865	1.1
79.05503	4.4
81.03408	1.7
81.07040	2.8
83.01340	2.5
83.04942	0.8
83.08620	0.8
85.02912	3.1
86.80106	0.6
89.03889	0.8
91.05499	4.9
93.03387	1.1
93.07042	2.5
94.04220	1.3
95.04958	2.3
95.08611	1.6
97.02884	2.0
98.97587	1.6
99.04499	0.6
103.05451	1.2
105.03388	1.1
105.07027	2.3
107.04982	3.3
107.08602	1.3
109.02919	2.6
109.06505	2.7
109.10166	1.7
115.05433	1.8
116.98661	0.7
119.04953	2.2
119.08584	1.0
121.02829	0.8
121.06526	1.0
121.10132	1.1
122.03680	3.4
123.04417	4.7
124.05237	0.7
125.02355	7.8
127.03922	0.9
129.06995	2.3
131.04912	1.6
131.08556	0.6
133.06497	0.9
133.10168	1.2
135.04433	8.9
135.08028	1.0
135.11748	0.7
137.05991	39.7
137.09621	0.9
139.03911	5.4
141.01883	1.0
141.07004	3.8
143.04938	1.9
143.08614	0.9
145.02859	0.8
145.10117	0.9
146.03656	1.1
147.04437	8.8
148.07623	0.7
149.06004	1.4
149.09543	0.6
151.03912	16.9
151.05125	1.0
151.07521	1.3
152.06268	0.9
153.01799	1.3
153.05638	0.6
153.06999	2.8
153.12717	0.9
155.03403	0.6
155.08563	1.7
157.06519	5.7
158.07350	0.6
158.99640	0.7
159.04431	0.6
160.05220	1.7
161.06006	6.6
163.03915	32.6
163.07513	0.8
165.05476	6.8
165.07013	4.0
167.07117	1.1
168.05731	1.2
169.06517	6.1
170.07269	0.7
171.04404	9.6
171.05710	0.8
171.08006	1.1
174.06761	1.7
175.03922	4.5
175.07556	5.5
177.05496	1.2
179.07022	1.0
181.06502	2.6
182.07256	1.6
183.08047	4.3
185.05919	2.7
186.06726	1.1
187.07573	1.5
189.09114	11.1
191.03488	0.7
191.07094	1.3
193.04977	12.6
193.06554	2.0
196.05151	1.1
197.05966	6.7
198.06776	1.7
199.07571	3.4
201.09070	2.8
203.07060	6.0
210.06812	1.9
211.07565	6.0
212.08435	0.9
213.05566	2.6
213.09143	1.0
214.06253	1.0
215.06999	0.9
216.07820	0.8
217.08586	2.2
221.06015	2.0
225.05515	5.5
225.09105	2.3
227.07014	1.9
227.09142	0.7
228.04253	0.6
228.07919	0.8
229.08618	2.6
236.09889	2.4
237.05644	0.8
238.06296	2.1
239.07045	10.4
239.10817	0.8
241.04944	0.9
242.05565	0.8
243.06618	2.0
243.10283	1.3
249.05469	0.8
253.08578	3.2
255.06590	1.4
256.07281	2.7
257.00864	0.9
257.08112	12.5
259.01361	1.7
266.05826	1.1
267.06543	15.8
271.09668	2.3
274.04724	0.7
275.09155	0.7
281.08206	4.6
284.06873	2.7
285.04129	0.8
285.11264	1.3
287.00894	1.1
287.09198	11.3
287.12341	0.7
299.09161	100.0
300.09491	1.1
302.00867	0.7
302.04224	1.9
309.13763	1.0
317.02084	6.6
317.06528	8.2
317.10220	12.2
317.13913	1.9
317.21198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	Cajanol
Peak:m/z	Relative Intensity
53.03929	0.9
55.01877	4.1
55.05505	1.3
56.96574	1.5
65.03950	1.4
67.05499	4.1
68.99781	4.8
69.03431	4.7
69.07052	2.6
69.44124	0.9
70.06574	0.9
71.04973	1.2
71.54442	1.1
79.01815	1.0
79.05515	3.4
81.03404	1.8
81.07065	4.9
83.01331	2.6
83.04968	1.2
83.08651	0.7
85.02908	4.2
85.06540	1.0
91.05492	5.7
93.07029	2.9
94.04180	1.1
95.04952	3.9
95.08627	3.9
97.02888	3.0
97.06531	0.7
98.97562	2.3
99.04466	0.9
99.08117	1.0
103.05459	1.0
105.07038	4.7
107.04949	4.4
107.08595	2.4
109.02864	2.9
109.06492	3.2
109.10171	4.9
111.04460	0.6
111.08047	0.8
115.05477	1.6
116.98601	1.4
117.07048	1.0
119.04920	2.7
119.08603	2.1
121.02861	1.2
121.06505	1.3
121.10154	1.6
122.03642	2.5
123.04434	6.2
123.08053	1.1
123.11673	0.9
124.05096	0.9
125.02354	7.2
125.09630	0.8
127.03912	1.8
128.06204	1.4
129.07005	3.2
131.04935	2.9
133.02875	0.9
133.06537	1.7
133.10112	2.2
135.04431	10.2
135.08032	0.8
135.11667	1.1
137.05986	42.9
137.09601	1.6
137.13179	0.7
139.03917	7.5
141.01897	0.9
141.06973	3.1
143.04918	2.1
143.08559	0.8
145.02914	1.1
145.10126	1.7
146.03629	0.8
146.05966	0.7
147.04422	7.2
147.11714	1.3
149.06029	1.2
149.09645	0.9
151.03914	16.1
151.05087	1.2
152.06244	0.8
153.01842	3.1
153.05484	1.0
153.06984	2.7
153.12767	1.2
155.07283	0.8
155.08537	2.7
155.10687	1.3
157.06439	4.9
157.10147	0.9
159.04454	1.1
159.11664	1.3
160.05159	1.2
161.05981	6.5
161.09596	2.0
163.03903	33.3
163.07492	1.4
165.01910	0.6
165.05479	9.8
165.06996	5.0
167.07182	0.8
167.08516	1.2
169.06485	5.3
171.04396	11.3
171.08075	1.3
174.06689	0.9
175.03951	4.6
175.07555	5.5
175.11252	1.0
177.12505	0.9
181.06505	2.3
182.07323	1.0
183.08031	3.2
185.05988	2.2
186.06725	1.1
187.07590	1.6
189.05566	0.8
189.09109	13.0
191.03346	1.0
193.04971	12.4
193.06516	1.1
197.05998	7.0
198.06763	1.3
199.07558	2.7
201.01959	1.0
201.09138	2.3
202.02141	1.1
203.07065	5.5
203.10750	1.0
210.06686	2.0
211.07574	5.8
213.05501	4.0
213.09145	0.9
215.07123	0.8
217.08606	1.5
221.05966	2.1
225.05583	5.0
225.09128	3.0
227.06963	2.1
228.07918	1.3
229.08586	3.1
236.09813	2.6
238.06270	1.7
239.07036	7.8
242.05731	1.3
243.06580	2.3
243.10196	1.1
253.08820	3.3
255.06528	1.1
256.07315	2.3
257.00827	1.4
257.08139	11.7
257.10880	0.7
258.01178	1.0
259.01303	3.9
263.16483	1.0
266.05798	1.3
267.06540	14.3
269.07855	1.2
271.01358	1.3
271.09689	2.8
273.07474	0.9
281.08066	4.6
284.06833	2.5
285.00375	1.8
285.11105	1.0
287.01016	3.7
287.09131	12.2
287.12436	0.7
289.02664	1.0
299.09149	100.0
300.09515	1.2
302.01135	0.7
302.04120	4.0
309.13666	2.1
317.02069	18.0
317.06531	11.3
317.10233	14.0
317.13892	1.7
317.17892	0.9
317.21182	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
58.19997	0.4
61.02911	0.9
67.01853	0.9
68.99802	1.1
69.03427	2.3
71.24191	1.1
72.08140	0.6
73.28168	0.5
81.03395	1.3
85.02897	4.5
87.04425	0.7
87.13013	0.5
91.05478	0.9
97.02897	1.3
98.97569	0.9
99.04472	0.9
109.02892	0.9
109.06470	0.9
119.04968	0.5
119.36709	0.5
123.83392	0.4
127.03947	2.4
131.05006	0.7
136.07588	0.6
137.02338	0.8
137.05997	1.4
147.04330	0.5
153.01917	1.1
154.08603	0.8
154.61128	0.5
155.02307	1.3
155.03400	22.7
155.06802	10.7
155.08852	1.1
163.07582	1.2
166.50710	0.5
185.04216	8.8
203.05280	3.5
261.03824	0.6
287.10291	2.2
299.10205	0.8
317.12073	100.0
317.15424	5.9
329.86224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1385
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
51.78080	1.0
52.76044	0.9
53.03940	1.9
55.01868	4.2
55.05509	2.1
56.96570	1.9
57.03440	1.3
57.97869	0.9
65.03956	1.5
67.05505	3.9
69.03424	5.6
69.07064	1.1
71.53690	1.1
77.03936	1.2
79.05481	3.1
81.03409	2.7
81.07061	20.0
83.04984	1.5
85.02910	9.1
91.05483	22.3
93.07062	5.1
94.04189	2.5
95.04981	6.6
95.08614	4.0
97.02898	3.4
98.97610	1.8
101.49036	0.9
103.05496	5.3
105.07044	5.0
107.04964	4.4
107.08612	2.4
109.02896	3.6
109.06508	5.3
109.10160	2.8
111.04472	1.1
115.05465	3.4
117.07034	2.0
117.16914	0.9
119.04945	13.6
119.08576	5.0
121.06508	10.9
122.03678	5.2
123.04430	14.5
123.08106	2.3
125.05948	1.1
127.03946	2.5
128.06248	4.2
129.07007	16.6
131.04921	4.4
131.08565	2.5
133.06499	1.2
133.10222	1.0
134.03604	1.6
135.04408	6.1
135.08078	3.5
135.11732	0.9
136.05194	2.8
137.05983	100.0
137.13255	7.1
139.03969	1.4
139.07552	1.0
141.07051	2.3
143.04962	2.2
145.04990	1.9
145.06537	2.3
146.03658	1.0
147.04419	18.2
147.08040	8.0
149.05991	24.3
149.07124	2.1
150.06749	4.2
151.03937	4.2
151.07552	59.7
152.06157	2.4
153.01823	4.5
153.05470	1.2
153.06966	1.9
153.47864	0.9
154.02180	1.5
155.02332	2.0
155.07101	1.3
155.08569	3.5
155.10655	1.8
157.06502	9.4
157.25893	0.9
159.08098	0.9
160.05206	1.8
161.06006	8.4
163.03891	4.4
163.06184	1.8
163.07555	4.8
165.05479	5.3
165.07018	12.7
167.07104	2.5
167.08582	5.6
168.05803	1.1
169.06474	2.3
171.04359	1.3
173.06079	1.2
174.06705	1.3
175.07558	37.9
177.06989	1.0
177.09132	1.8
178.07797	3.3
179.08646	1.5
181.06548	3.9
181.31389	1.0
182.07300	4.1
183.08076	3.7
189.09102	4.1
191.03453	1.4
193.04950	3.2
193.06517	7.1
193.08560	3.2
193.10168	3.8
195.08083	8.9
197.06010	4.6
197.09650	1.2
198.06726	1.4
199.07645	1.1
202.07809	1.4
203.06924	1.3
203.08640	2.3
206.07240	2.2
209.06035	1.2
210.06787	7.0
211.07545	8.2
213.05603	1.2
213.09077	5.5
221.06027	9.8
221.09520	6.9
223.07549	3.8
224.08401	1.4
225.05530	3.3
225.09042	8.4
227.07043	1.9
227.10707	3.1
235.07655	1.3
238.06311	3.8
239.07019	11.0
239.10686	1.9
241.08492	6.3
249.09116	4.0
253.08578	12.5
253.12177	5.9
255.06560	2.6
255.10399	2.0
256.09818	1.9
258.08957	3.5
267.06665	1.5
267.10153	3.3
270.08884	3.7
271.09650	30.6
271.13214	1.4
273.11267	15.7
274.97379	1.0
281.11697	4.9
287.12906	1.9
289.03528	1.7
299.09476	9.5
299.12863	19.5
317.02872	2.9
317.06537	2.6
317.10571	10.2
317.14029	9.0
317.19275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1963
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03949	0.9
55.01871	0.4
55.05507	1.1
55.24087	0.3
56.96583	0.3
57.03446	1.3
57.07087	0.8
59.04983	0.3
61.02932	0.6
62.84769	0.3
65.03956	0.4
67.05513	2.3
69.03437	2.9
69.07083	1.6
69.36895	2.3
71.05004	0.5
73.02905	0.8
79.05501	4.0
81.03419	1.2
81.07063	100.0
83.04994	0.8
83.08627	0.7
85.02910	20.1
87.04449	0.5
91.05490	1.5
93.07059	3.0
95.04974	0.6
95.08617	7.4
97.02892	3.3
97.06513	0.4
98.97581	0.4
99.04465	0.9
103.03957	0.5
103.05495	0.3
105.07034	2.1
107.04929	0.4
107.08604	1.4
109.02907	2.3
109.06506	0.8
109.10168	2.4
111.04475	0.9
115.03930	0.9
115.05437	0.5
117.06998	0.6
119.08589	1.4
121.06522	0.6
121.10161	1.2
123.04462	1.2
123.08077	0.5
123.11737	0.9
125.09630	0.4
127.03927	5.1
129.05482	1.4
131.08585	1.7
133.10136	0.8
135.08069	0.8
135.11742	1.4
137.05988	2.9
137.13269	42.7
143.08591	1.4
145.04977	7.3
145.10132	0.6
147.04411	0.8
147.11719	1.3
149.09619	0.5
149.13263	1.0
151.03906	0.5
151.07568	0.8
153.01836	0.8
155.08376	0.5
157.10136	0.6
159.08038	0.5
159.11684	0.6
161.05980	0.6
161.09683	0.8
161.13290	0.9
163.03911	1.4
163.06029	8.4
163.07399	0.4
165.05490	1.5
165.06815	0.4
167.07095	0.4
167.14342	0.7
171.11746	0.5
173.13289	0.4
175.07561	0.6
175.11230	0.3
175.14970	0.3
177.12767	0.6
179.14325	0.3
183.11691	0.4
185.09631	0.5
189.09117	0.7
189.12791	0.7
191.14265	0.6
193.04932	0.5
203.14323	1.2
211.07565	0.4
221.15273	0.4
227.14259	0.5
233.15228	0.3
245.15422	1.0
253.08917	0.3
263.16479	3.4
267.06427	0.5
272.10355	0.4
281.17490	3.2
287.09286	0.4
287.12723	1.0
299.09207	3.3
299.18384	2.4
302.04141	1.1
317.06522	4.3
317.10272	1.0
317.14084	0.5
317.19778	4.4
317.24460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01877	2.2
55.05518	4.4
55.29042	0.7
56.96575	1.4
57.03437	4.2
57.07076	3.3
57.39126	0.7
59.05007	0.8
61.02929	3.0
67.05517	8.2
68.99800	1.3
69.03432	10.0
69.07079	6.1
71.01357	1.0
71.05000	2.4
73.02913	2.4
76.28773	0.7
79.05515	10.1
81.03433	5.0
81.07065	100.0
82.07405	0.8
83.01362	0.8
83.04987	2.6
83.08610	1.6
85.02915	51.9
85.06567	1.6
87.04507	0.7
91.05492	5.9
93.07059	7.8
95.04967	3.7
95.08619	17.3
97.02906	10.3
97.06528	2.2
98.21455	1.9
98.97614	1.4
99.04478	3.3
99.08098	0.8
103.03972	2.6
103.05489	2.2
105.07045	8.0
107.04987	1.5
107.08598	9.8
109.02887	11.0
109.06512	1.9
109.10183	7.4
111.04472	3.1
111.08084	1.6
115.03930	2.2
115.05521	0.8
116.98618	1.0
117.07040	2.6
119.04989	1.6
119.08594	6.8
121.06540	2.2
121.10172	4.4
123.04464	3.0
123.08130	1.1
123.11748	2.4
125.02385	1.5
127.03925	11.2
128.06268	1.0
129.05521	2.1
129.06989	1.7
131.04950	2.2
131.08533	5.3
133.05038	0.7
133.06479	1.3
133.10162	5.7
135.04483	1.0
135.08092	2.8
135.11687	5.9
137.05994	9.8
137.09636	2.2
137.13269	33.6
139.03925	6.5
142.07764	0.8
143.08594	2.9
143.93523	0.8
145.04977	13.9
145.10172	2.9
147.04466	1.5
147.06725	0.8
147.08083	2.7
147.11728	4.6
149.09641	2.4
149.13283	1.4
150.06682	0.8
151.03920	3.7
151.07631	2.1
153.01909	1.7
153.12767	0.9
155.08659	0.9
155.10715	1.0
157.06512	1.0
157.10162	2.3
158.06110	1.0
158.07327	1.0
159.08089	1.5
159.11711	4.2
161.06061	2.1
161.09679	3.8
161.13310	3.1
163.03934	3.0
163.06084	9.5
163.07471	1.4
163.11227	1.4
165.05537	6.3
165.06908	1.4
165.09149	3.1
165.12802	1.2
167.07114	0.9
169.06445	0.8
171.04500	1.6
171.11754	2.3
173.09653	1.6
173.13316	2.8
174.18932	1.0
175.07617	2.2
175.14774	0.8
177.09236	1.7
177.12833	1.6
179.14268	1.4
183.11748	1.4
185.13338	1.9
187.11160	1.3
187.14951	1.1
189.09131	3.1
189.12819	1.5
189.16377	0.9
191.10701	0.9
193.05042	1.3
195.08099	1.4
201.09203	0.8
203.14331	1.2
209.09935	0.9
215.14380	0.9
219.07767	1.6
221.15526	1.3
225.09106	1.6
229.08699	1.0
239.07166	1.6
245.15424	2.0
263.16510	3.4
267.06580	1.5
271.20599	1.1
281.17581	1.5
285.11264	0.9
287.09488	1.2
287.12863	2.9
293.15182	3.1
299.09308	9.8
299.12689	1.6
299.20279	1.8
302.04324	2.4
317.03021	1.3
317.06702	7.4
317.10309	3.2
317.13861	2.5
317.16614	1.4
317.20923	6.5
317.24966	1.6
335.07605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.72061	1.1
53.03954	2.3
55.01862	2.6
55.05508	14.4
55.60351	1.2
57.07076	10.7
59.04993	5.6
61.87000	1.2
65.03929	2.0
67.05503	44.8
69.03420	6.1
69.07065	8.6
69.52209	5.1
69.52618	2.5
70.06596	12.3
71.04977	1.7
71.08620	3.0
79.05487	10.2
81.07056	23.7
83.04970	4.6
83.08624	8.8
85.06522	3.6
88.07634	15.6
91.05486	14.6
93.07039	22.5
95.04958	23.6
95.08601	21.4
97.06527	7.1
98.53088	1.2
102.09177	13.0
105.07021	16.4
105.42645	1.4
107.04936	2.1
107.07871	2.4
107.08596	38.9
109.06510	15.4
109.10155	74.6
111.08076	3.6
113.09625	1.6
117.07017	4.5
119.08583	55.9
121.06545	6.1
121.10113	7.5
123.08080	23.8
124.86224	1.2
125.05995	2.5
125.09638	3.2
125.24996	1.5
130.07770	1.6
131.08618	7.1
131.09433	1.2
133.06477	3.7
133.10149	9.4
135.08046	9.1
135.11674	3.7
137.06032	2.4
137.09616	65.1
137.13206	1.3
139.07504	2.1
142.07838	1.3
143.08534	4.8
145.10121	11.6
147.08046	5.5
147.11681	4.4
149.09633	7.8
149.10631	1.3
150.11345	1.5
151.07542	56.0
151.11150	1.5
153.05440	5.3
155.08530	2.3
156.09338	3.7
157.10135	4.5
159.08037	3.6
159.11687	4.9
161.09624	9.5
161.13240	1.5
163.07474	1.5
163.11198	2.6
165.09145	6.9
167.07097	3.0
167.08427	1.8
169.67209	1.4
171.11723	6.7
173.09616	4.7
173.13235	3.1
174.10330	1.7
175.11172	3.2
177.09116	2.3
179.10577	1.4
181.08591	4.6
181.12285	4.1
183.11732	1.9
185.13150	2.0
189.12729	22.4
190.13521	1.3
191.10727	2.9
191.14333	1.9
197.13200	2.7
199.11183	4.2
199.14922	1.9
203.14288	1.8
205.12311	1.4
207.13802	26.5
212.23732	1.3
213.16412	1.6
215.14313	4.8
217.12274	1.9
219.13733	2.5
221.15390	5.8
223.14989	2.0
225.12711	2.6
233.15367	5.5
237.14795	8.8
241.15871	3.1
243.13846	6.8
256.26358	42.6
259.16962	2.0
261.15002	7.5
281.21390	1.9
293.07343	1.3
299.19925	14.4
300.28928	2.3
317.21118	100.0
318.30017	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01870	3.7
55.05513	12.4
56.96549	6.9
57.03426	1.6
57.07074	10.6
59.04993	4.7
60.04515	7.2
65.03926	2.4
67.05506	54.5
69.03418	5.2
69.07064	10.7
69.57198	12.3
70.06577	6.2
71.04991	4.5
79.05489	15.5
81.03403	2.0
81.07056	31.4
83.08613	5.1
85.06545	3.1
87.04456	3.7
88.07622	7.7
91.05476	17.1
93.07057	25.6
95.04978	24.5
95.08601	24.4
97.06525	6.8
98.97591	4.0
100.02489	4.9
102.09180	4.5
105.07043	18.3
107.04895	1.8
107.08604	41.2
109.06500	17.1
109.10165	82.6
117.07004	3.5
119.08586	57.4
121.06496	7.3
121.10139	15.1
123.08075	20.7
123.11715	1.8
131.08566	7.1
131.34650	1.5
133.06514	4.4
133.10150	9.9
135.08066	10.0
135.11678	6.2
137.06032	3.2
137.09622	64.0
138.71121	1.8
142.09616	1.7
143.08578	6.3
145.10133	8.1
147.08035	3.4
147.11673	5.8
149.09618	6.7
149.13141	3.3
151.07553	49.1
153.05490	3.3
156.09430	3.3
157.10164	3.6
159.08023	3.4
159.11678	8.4
161.09650	8.3
161.13240	3.5
163.11206	5.1
165.09117	5.7
171.11716	6.3
173.09491	2.8
173.13257	5.2
175.11234	1.8
177.09140	2.5
181.08594	4.4
181.12273	2.6
183.11702	3.4
185.13287	1.9
187.14848	2.5
189.12733	19.3
191.14291	2.8
199.11174	3.8
205.34581	1.7
207.13812	22.0
215.14415	2.4
217.12157	1.8
219.14001	2.7
221.15279	4.1
225.15953	2.1
233.15289	2.9
234.16389	2.2
237.14909	6.0
243.13889	10.0
243.66562	2.2
252.67099	3.8
253.17017	2.8
253.67088	1.9
256.15784	4.3
256.26328	13.0
257.19107	2.2
261.14838	7.3
265.16510	4.4
266.66660	5.6
267.16898	4.2
267.66592	3.4
275.67267	9.6
276.17468	6.2
276.67307	2.5
281.19040	3.3
284.50131	1.7
287.17905	2.9
288.92111	3.4
296.18506	2.3
296.68445	2.6
299.20023	12.1
316.70044	2.1
317.06653	3.4
317.21118	100.0
317.28680	14.9
318.30057	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01873	1.2
56.96561	1.7
57.03427	2.5
57.20458	0.6
57.64288	0.5
61.02934	3.8
64.61270	0.5
65.03940	1.5
66.16953	0.5
67.05508	9.2
68.05022	1.5
69.03432	11.0
69.63495	3.2
70.06573	0.9
71.04990	1.4
72.08144	1.1
73.02915	2.1
79.01875	0.7
79.05510	0.8
81.03427	3.3
81.07070	0.6
83.04983	1.1
84.04502	1.1
85.02911	23.5
86.09705	2.8
87.04457	2.0
91.03951	1.4
91.05507	0.7
93.03421	1.3
95.04962	3.2
96.04499	22.5
96.44978	0.5
97.02899	10.3
98.97590	2.9
99.04457	1.5
101.02368	0.6
103.03957	0.9
106.06609	0.7
109.02896	3.7
110.06046	2.2
111.04479	3.6
111.08070	0.9
112.07613	0.6
114.05541	2.9
116.05006	1.0
119.01839	1.0
120.04492	0.9
121.02895	0.8
122.06009	0.7
123.04422	0.6
124.07616	0.8
125.02338	0.6
127.03934	6.5
128.07147	0.5
134.06024	2.4
138.05515	50.3
138.09151	0.8
139.03938	3.8
139.06291	1.4
145.04997	3.1
148.07594	1.7
152.07069	1.7
153.01846	0.6
156.06564	100.0
156.10114	3.9
158.99693	0.6
162.05475	0.9
172.03899	1.1
176.07091	0.9
177.00679	0.7
180.06555	12.0
184.17111	0.5
185.16490	0.7
197.12971	0.6
198.07693	4.6
204.06613	2.9
219.01860	1.0
222.07591	3.6
234.07648	0.6
237.02905	0.6
237.07257	0.8
242.63049	0.5
246.07639	0.9
264.08664	0.6
276.10706	1.0
318.08014	1.2
318.11874	23.5
319.06992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33748	0.3
53.03936	0.6
55.01861	0.3
55.05502	0.3
57.03450	1.5
61.02927	1.1
69.03438	3.5
69.07064	0.6
70.76890	0.4
71.04970	0.4
73.02928	0.7
79.05493	0.5
81.03425	1.3
81.07065	0.4
82.06567	1.0
83.04987	0.4
85.02436	0.5
85.02916	6.9
87.04472	0.8
91.05473	0.3
93.07043	1.0
95.08616	1.2
96.04514	2.8
96.08144	1.9
97.02901	3.3
97.05289	1.7
97.06542	0.9
99.04459	0.4
100.07602	0.8
108.08127	0.5
109.02883	1.0
109.06544	0.6
110.06057	5.0
110.09701	3.2
111.08097	0.8
120.08130	0.7
121.06535	1.5
125.08381	0.8
126.09169	7.5
127.03909	1.5
138.09152	19.7
139.07556	1.3
140.10696	0.3
145.05000	1.1
150.09119	0.4
152.10715	0.3
156.10214	100.0
157.10545	0.4
168.10205	1.1
180.10222	0.7
184.70334	0.3
198.11269	0.7
229.64832	0.3
318.15500	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	318.3004
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05511	0.9
56.05039	9.4
56.41482	0.3
56.96553	0.6
57.06829	0.6
57.07079	6.8
58.06608	4.5
60.04529	14.4
67.05510	0.6
68.05007	0.6
69.07073	0.8
69.43144	2.9
70.06596	0.9
71.08641	2.6
74.06086	7.1
81.07052	0.4
83.08624	0.7
85.10169	1.5
86.06061	1.7
88.07636	30.0
95.08613	0.7
102.09189	0.8
118.08675	5.4
122.08150	3.7
181.83565	0.4
213.41693	0.4
230.20636	0.4
256.26379	2.2
270.27933	27.1
282.27902	2.8
300.28986	3.8
318.30038	100.0
319.30228	0.8
333.10611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1001
Annotation	Chlorpromazine
Peak:m/z	Relative Intensity
53.03939	0.3
53.15250	0.2
53.54717	0.2
54.00395	0.2
55.01859	0.4
55.05495	0.2
56.96564	1.4
57.03450	1.0
59.04981	0.3
59.66282	0.2
61.02935	1.3
69.03430	3.0
70.03761	0.4
70.06555	0.3
70.35464	0.2
70.77042	0.5
71.04977	0.7
73.02908	0.9
81.03418	1.1
81.04570	0.3
83.04979	0.3
85.02911	4.3
86.03223	0.6
87.04472	0.6
91.03938	0.3
97.02887	2.2
98.03247	0.2
98.06056	0.3
98.97593	1.4
99.04456	0.7
101.00886	2.1
103.00645	0.3
106.02818	0.4
109.02865	0.5
110.97563	0.2
111.04430	0.2
112.99145	1.9
113.00888	0.7
113.99464	0.3
115.02420	0.9
116.98610	0.7
117.04013	0.3
119.01925	2.0
121.01694	0.3
121.07617	0.3
122.06049	0.3
127.00692	0.5
127.02399	0.4
127.03930	1.4
128.02429	0.2
128.98634	0.4
129.03998	0.5
131.00154	0.9
131.01872	1.4
133.01590	0.2
133.03503	1.3
135.03241	0.3
138.05498	0.5
139.03671	0.2
139.05885	0.4
139.08630	1.0
140.07069	0.5
143.00308	0.2
143.01888	1.8
145.01660	0.5
145.03473	1.7
145.04961	0.5
147.03136	0.3
147.05023	0.8
149.01314	0.2
149.02885	0.2
149.04793	0.3
155.01886	1.5
156.02641	0.5
156.05460	0.3
157.01715	0.5
157.03473	1.5
157.04742	4.9
157.06865	0.2
157.09731	2.3
158.08084	0.4
158.99600	0.3
159.05110	0.4
160.03938	0.3
161.02966	1.6
169.04549	1.4
169.54668	1.2
170.04529	0.3
171.01410	0.3
171.05070	1.0
173.01422	0.5
173.02980	1.7
173.06503	0.2
175.02797	0.8
175.04521	0.9
177.00629	0.3
178.04910	1.8
178.55130	1.5
183.05090	0.7
183.82736	0.2
185.02797	0.4
185.04233	0.9
187.04562	0.6
189.02412	0.5
189.06148	0.4
191.02325	0.2
191.03970	0.5
191.05925	0.2
193.03783	0.9
193.55412	0.2
194.04376	0.2
197.02974	0.4
199.04532	0.4
200.03595	0.3
201.02548	0.3
201.06181	0.6
203.03856	1.8
205.04018	0.3
211.04500	0.3
213.06094	0.4
215.04004	0.3
217.01877	0.4
217.05664	0.3
221.05074	3.2
221.06996	0.3
223.05188	0.4
229.05806	0.4
231.03465	0.3
237.02834	0.3
237.08076	0.7
237.58290	2.2
238.08330	0.5
245.06696	5.7
247.06702	1.4
257.05109	0.4
257.09979	0.3
258.58606	0.3
259.03018	0.4
259.06647	1.7
261.06448	0.4
263.06207	0.8
273.08572	2.7
275.06155	0.6
289.08984	0.4
291.09317	1.6
301.09003	2.9
303.01605	0.3
309.60001	0.2
318.60861	5.0
319.10031	100.0
320.10364	0.6
321.10190	0.3
337.08270	0.5
338.08575	0.4
340.08588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1027
Annotation	Opuntioside I
Peak:m/z	Relative Intensity
53.03949	3.1
53.95796	1.0
55.01874	3.9
55.05516	15.8
56.96566	2.5
57.03432	3.0
61.02932	2.7
61.85536	0.9
63.15459	0.8
65.03651	0.9
65.03938	5.4
67.01875	1.9
67.05515	7.1
69.03436	35.7
70.69469	1.7
71.01362	0.9
71.04998	2.2
73.02900	1.0
81.03429	17.5
83.04989	100.0
85.02914	28.7
91.05479	1.0
93.03416	7.4
93.07079	1.5
95.04975	2.1
97.02897	12.5
98.97578	5.4
99.04476	3.1
101.02365	1.1
101.62534	0.8
103.03977	0.9
109.02885	8.6
110.06038	1.0
111.04453	41.9
116.98622	1.6
121.02886	6.1
125.03834	1.0
127.03938	14.5
129.05508	2.2
131.04909	2.0
134.99692	1.1
137.06007	1.4
138.09152	2.4
139.03923	47.0
139.09488	2.8
143.01930	1.1
145.04982	3.0
151.03865	1.2
156.10233	7.9
157.04985	25.5
157.08530	1.1
157.10593	12.2
158.28732	0.8
158.99733	0.9
161.02907	1.8
171.06500	1.4
177.00694	1.0
203.03947	1.8
219.01813	2.0
234.98946	1.0
237.02895	2.1
255.08716	6.9
271.29941	1.0
273.09747	0.9
283.08130	3.3
301.09192	3.1
301.12073	1.7
319.10165	8.7
319.13544	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19096	0.6
56.96556	0.9
57.03415	0.9
64.16754	0.5
67.05493	0.8
67.51481	0.4
69.03431	1.8
69.07066	2.7
70.06591	80.5
70.11055	2.4
71.04970	0.6
73.35375	0.5
81.03384	0.5
83.05000	0.6
85.02902	4.2
86.09660	0.7
95.04964	1.2
97.02891	2.0
98.21455	0.5
98.97600	1.1
109.02841	1.2
112.07605	71.6
113.06002	0.9
116.07093	20.3
116.98621	0.7
123.04435	0.8
127.03886	1.3
140.07060	9.8
141.05424	1.1
158.08125	100.0
182.08139	0.8
200.09248	1.3
209.21228	0.5
234.13083	0.5
237.02878	0.6
272.46188	0.6
284.05301	0.7
290.48273	0.5
299.22348	0.5
303.01334	1.2
303.13617	0.6
307.94568	0.5
320.13638	0.7
321.14401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01854	1.8
55.93539	1.0
56.96558	3.1
57.03421	4.0
61.02932	6.8
67.75696	1.0
69.03432	12.5
69.07069	17.2
69.07422	2.2
70.06242	3.9
70.06586	21.4
70.06953	2.0
71.04977	3.3
73.02904	3.3
81.03411	9.5
83.04961	3.6
85.02901	44.2
86.09731	1.0
87.04464	2.7
91.03940	3.7
97.02880	15.8
98.20850	1.3
98.97583	11.6
99.04444	2.6
99.34378	1.0
109.02880	88.6
110.97541	2.6
111.04414	1.3
112.07601	17.8
116.07087	3.1
116.98621	3.6
121.06445	1.3
124.99152	1.1
127.03924	10.7
133.02881	1.3
137.05988	2.0
140.07057	10.9
141.05466	100.0
143.00224	1.1
145.04956	14.1
147.04330	1.3
152.98625	1.3
156.06610	1.3
158.06865	2.2
158.08125	32.9
158.09421	1.7
158.99673	2.9
161.05978	1.3
170.99695	1.9
177.05534	3.3
179.73132	1.0
180.08659	4.0
182.08147	1.6
190.16949	1.1
193.04294	1.1
198.11324	1.3
198.88185	1.0
207.06609	2.0
213.03694	1.1
219.01802	3.1
237.02940	1.3
244.56226	1.6
265.56720	2.0
277.03500	1.3
279.07416	1.9
287.05792	1.2
295.59683	2.9
296.09308	1.1
302.12097	2.0
303.01346	1.7
320.13449	3.2
321.08566	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	321.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05518	2.4
57.03428	7.8
57.50915	2.7
61.02931	44.3
69.03423	16.3
70.71426	5.3
71.01357	6.0
71.04985	2.4
71.18736	2.0
73.02923	26.9
81.03419	7.5
81.07058	3.2
83.04990	2.3
85.02908	100.0
91.03954	40.5
95.01324	3.2
95.08572	2.5
97.02897	68.7
98.21505	2.7
99.04443	7.3
101.02371	3.8
103.03974	5.4
109.02881	7.2
113.02375	2.7
115.03916	6.4
125.02400	4.5
127.03919	31.8
139.03882	5.1
141.01842	5.6
145.04971	28.8
151.42781	2.2
159.02917	14.9
160.22125	2.1
161.04437	2.4
163.06018	10.1
177.01765	2.3
198.60867	2.3
206.67538	2.0
209.69252	2.3
213.03989	2.7
215.23297	2.2
226.15964	2.3
231.81166	2.4
243.05103	2.5
285.06009	2.9
321.16754	5.5
321.25992	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	321.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57142	2.8
53.03948	2.7
53.60463	3.2
56.96555	3.4
57.03434	9.3
57.07077	5.4
60.69767	2.5
61.02928	46.3
64.73907	2.4
67.05502	12.4
69.03436	16.6
70.06582	11.9
70.46111	10.5
71.01357	5.0
71.06921	6.8
73.02917	27.6
73.06643	2.4
77.77259	2.6
79.05480	3.5
80.97786	2.7
81.03424	6.5
81.07071	6.1
83.04987	3.8
85.02909	98.5
88.07612	14.1
89.07953	6.6
91.03955	48.5
93.06980	4.0
95.01315	3.6
95.04983	3.3
95.08585	7.9
97.02895	64.9
99.04451	7.1
101.02368	3.2
102.09169	7.5
103.03929	7.8
103.09521	4.4
105.07005	2.8
107.08569	6.7
109.02863	6.3
109.10165	18.1
115.03938	5.4
121.02860	2.5
121.10170	4.2
123.04492	2.9
127.03926	34.3
139.03889	3.5
141.01845	5.7
145.04965	32.6
145.10211	2.7
159.02870	14.6
163.06004	12.5
165.09109	9.1
168.51152	3.2
183.02815	3.1
229.07422	13.2
247.08545	8.5
256.26346	8.0
257.26706	9.4
258.27032	28.6
259.27380	6.1
267.62140	2.8
269.10684	5.9
320.30646	100.0
321.30927	29.0
322.13217	3.7
338.01917	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12248	0.7
68.98285	0.7
69.03407	0.8
70.99847	2.0
71.51918	1.4
71.76443	1.0
82.99831	6.2
83.01465	0.8
85.01398	1.6
85.02881	3.1
88.51740	0.8
91.02437	0.8
94.39558	0.7
94.99821	2.0
95.98881	0.7
96.10591	0.8
97.00822	0.7
97.01393	4.9
97.02868	1.7
98.97559	3.1
99.02929	1.1
101.00889	43.6
103.02421	1.0
105.10165	0.7
108.27691	0.8
110.97547	1.0
113.00105	1.1
113.00873	16.9
113.44174	0.8
115.01672	0.8
115.02441	14.4
117.04013	5.3
119.01933	38.7
125.00839	1.4
126.98730	1.0
127.02464	4.1
129.03973	5.5
131.01917	22.8
133.03481	22.9
135.05054	4.3
135.05910	0.8
137.00807	4.0
137.02943	2.7
138.01611	1.3
139.02437	1.6
141.04002	4.2
143.01912	19.7
143.05539	0.8
144.99794	1.3
145.03453	11.0
147.01337	0.9
147.05019	3.8
149.02898	2.3
151.04504	1.5
153.03949	1.4
155.01910	20.3
156.02663	3.8
157.03490	5.2
158.08170	0.9
159.03795	1.4
159.05051	19.9
159.06316	1.2
161.01735	1.3
161.02968	15.5
161.06645	1.1
163.04482	2.4
167.01964	0.8
167.27271	0.8
168.99854	9.4
171.01418	4.8
171.05032	27.8
173.02977	15.9
173.06639	5.8
175.04515	3.7
177.02435	2.5
177.04614	1.1
177.06082	7.4
179.01927	1.0
183.04964	3.2
185.02904	3.4
185.06541	1.5
187.00873	16.9
187.04454	1.3
189.02458	6.1
189.06076	11.0
191.04010	7.9
191.07637	1.0
195.04922	1.6
195.07043	0.8
196.99281	6.1
197.02957	1.2
197.06627	1.0
201.02382	4.4
201.06075	9.5
203.04036	15.2
203.05865	0.6
203.07625	1.3
205.01936	3.3
213.06075	4.9
214.98523	1.4
215.00392	20.2
217.01930	1.2
218.03265	0.8
219.01651	1.1
219.03662	3.9
219.07146	10.0
221.05103	26.4
225.06033	1.3
229.01961	14.9
231.03458	1.3
231.07112	7.2
233.01384	2.2
233.05112	11.8
233.08650	2.0
237.02690	1.4
240.07925	1.2
243.07181	5.7
245.05119	5.5
247.03014	39.7
249.04350	1.5
255.07086	2.5
259.06775	1.2
261.04309	1.6
261.08237	37.8
265.03949	3.7
273.08075	1.4
279.09268	54.5
289.04059	7.8
291.52365	0.8
317.10849	0.8
321.10568	100.0
322.10327	1.0
322.82101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12248	0.7
68.98285	0.7
69.03407	0.8
70.99847	2.0
71.51918	1.4
71.76443	1.0
82.99831	6.2
83.01465	0.8
85.01398	1.6
85.02881	3.1
88.51740	0.8
91.02437	0.8
94.39558	0.7
94.99821	2.0
95.98881	0.7
96.10591	0.8
97.00822	0.7
97.01393	4.9
97.02868	1.7
98.97559	3.1
99.02929	1.1
101.00889	43.6
103.02421	1.0
105.10165	0.7
108.27691	0.8
110.97547	1.0
113.00105	1.1
113.00873	16.9
113.44174	0.8
115.01672	0.8
115.02441	14.4
117.04013	5.3
119.01933	38.7
125.00839	1.4
126.98730	1.0
127.02464	4.1
129.03973	5.5
131.01917	22.8
133.03481	22.9
135.05054	4.3
135.05910	0.8
137.00807	4.0
137.02943	2.7
138.01611	1.3
139.02437	1.6
141.04002	4.2
143.01912	19.7
143.05539	0.8
144.99794	1.3
145.03453	11.0
147.01337	0.9
147.05019	3.8
149.02898	2.3
151.04504	1.5
153.03949	1.4
155.01910	20.3
156.02663	3.8
157.03490	5.2
158.08170	0.9
159.03795	1.4
159.05051	19.9
159.06316	1.2
161.01735	1.3
161.02968	15.5
161.06645	1.1
163.04482	2.4
167.01964	0.8
167.27271	0.8
168.99854	9.4
171.01418	4.8
171.05032	27.8
173.02977	15.9
173.06639	5.8
175.04515	3.7
177.02435	2.5
177.04614	1.1
177.06082	7.4
179.01927	1.0
183.04964	3.2
185.02904	3.4
185.06541	1.5
187.00873	16.9
187.04454	1.3
189.02458	6.1
189.06076	11.0
191.04010	7.9
191.07637	1.0
195.04922	1.6
195.07043	0.8
196.99281	6.1
197.02957	1.2
197.06627	1.0
201.02382	4.4
201.06075	9.5
203.04036	15.2
203.05865	0.6
203.07625	1.3
205.01936	3.3
213.06075	4.9
214.98523	1.4
215.00392	20.2
217.01930	1.2
218.03265	0.8
219.01651	1.1
219.03662	3.9
219.07146	10.0
221.05103	26.4
225.06033	1.3
229.01961	14.9
231.03458	1.3
231.07112	7.2
233.01384	2.2
233.05112	11.8
233.08650	2.0
237.02690	1.4
240.07925	1.2
243.07181	5.7
245.05119	5.5
247.03014	39.7
249.04350	1.5
255.07086	2.5
259.06775	1.2
261.04309	1.6
261.08237	37.8
265.03949	3.7
273.08075	1.4
279.09268	54.5
289.04059	7.8
291.52365	0.8
317.10849	0.8
321.10568	100.0
322.10327	1.0
322.82101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.7
58.99886	0.6
68.98288	1.1
69.03439	0.9
69.29131	0.5
69.96562	1.8
70.99863	0.9
73.01437	0.7
82.99852	4.8
84.52823	0.4
85.01424	1.5
85.02908	2.1
86.00173	0.5
86.99360	0.5
89.00918	0.7
91.02450	0.6
94.99873	0.8
97.01419	3.0
97.02896	1.2
98.20777	0.5
98.97598	2.6
99.02984	0.7
100.00108	0.6
101.00894	30.2
103.02479	1.7
104.82014	0.4
105.04030	0.5
109.01363	0.5
111.02937	0.8
113.00883	14.1
115.02447	12.5
116.98629	0.6
117.04008	4.4
119.01935	26.9
125.00893	1.1
126.98824	0.9
127.02406	3.8
127.03907	0.9
128.98701	0.7
129.00307	0.5
129.03978	4.0
131.01921	14.1
131.02841	0.9
133.03488	16.8
135.05060	3.0
137.00844	3.1
137.02977	2.4
138.01613	0.9
139.02486	1.1
141.03967	3.4
143.01918	12.3
143.05664	0.9
144.99760	0.7
145.03484	9.5
147.01399	1.3
147.03339	0.6
147.05048	5.2
149.02957	1.2
151.04570	1.4
153.04024	1.7
155.01918	14.6
155.05585	0.7
156.02708	2.2
157.03503	5.0
158.08180	1.6
159.05051	16.6
161.02982	11.4
161.06616	1.0
163.04573	1.5
165.06107	0.5
168.99832	6.0
169.03511	0.9
171.01396	3.1
171.05040	18.9
173.02986	13.1
173.06606	4.0
175.04526	2.7
177.02464	1.0
177.04539	1.0
177.06075	6.1
179.01968	0.6
183.01527	0.7
183.05035	5.5
185.02896	3.0
185.06610	2.6
187.00896	10.3
187.04579	1.1
189.02478	4.9
189.06116	8.7
191.04033	4.7
191.07751	1.1
193.03525	0.5
195.05138	1.5
195.07208	1.9
196.99374	5.0
197.02989	1.1
197.06631	0.7
198.05951	0.5
199.00989	0.5
199.04604	0.6
201.02568	1.9
201.06073	7.8
203.04024	11.4
203.07693	1.6
205.02032	1.8
205.05672	1.1
207.05122	0.6
211.04507	0.7
213.06146	4.2
215.00386	13.0
215.07751	0.6
217.02206	1.0
219.01756	1.1
219.03645	2.0
219.07175	11.4
221.05092	19.8
225.06145	0.6
229.01945	10.0
231.03554	1.5
231.07182	10.5
233.01497	1.4
233.05099	7.4
233.08809	1.9
237.02823	0.9
243.07143	3.0
245.05125	5.8
247.03009	25.0
248.03281	0.7
249.04643	1.2
255.07201	3.2
259.06775	1.2
261.08237	27.1
262.08493	0.5
263.06244	0.6
265.04199	2.5
273.08282	3.0
279.06198	1.2
279.09265	35.8
280.09515	1.1
289.04114	4.0
303.01376	0.5
307.05225	0.6
321.11057	100.0
322.10867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31829	0.7
77.79990	0.3
81.09627	0.3
84.25507	0.3
107.89357	0.4
131.01984	0.3
156.12398	0.3
159.06357	0.3
177.23453	0.3
219.07224	0.5
231.07352	0.3
321.11600	100.0
322.11935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.4
55.01879	32.3
55.05513	21.3
65.12373	2.3
65.90133	2.1
67.05177	3.1
67.05510	45.4
67.64817	1.9
69.03427	2.3
69.07076	35.1
69.53265	10.5
71.05000	3.4
71.86337	2.4
72.09719	1.9
79.05501	49.9
81.03426	22.6
81.07063	64.3
83.04965	10.4
83.08638	10.0
85.06535	4.6
88.89977	2.3
91.05494	44.2
93.07047	51.1
95.01345	5.9
95.04974	10.8
95.08620	41.3
97.06541	65.0
97.10175	8.6
99.08058	2.7
103.05476	2.1
105.07037	61.1
107.04966	25.4
107.08600	31.9
109.06512	6.8
109.10156	12.0
111.08105	5.2
115.05492	2.1
117.07032	15.6
119.08585	34.3
121.06527	5.0
121.10147	12.6
123.04459	3.2
123.08104	6.6
123.11716	4.3
125.09637	14.2
129.06984	2.4
131.08580	22.6
133.10144	38.2
135.08058	9.9
135.11707	16.0
137.09573	6.4
139.07594	2.9
141.08995	2.0
143.08533	3.4
145.06520	5.0
145.10127	16.1
145.63557	2.2
147.11691	19.1
149.09630	25.4
149.13315	7.7
151.11163	4.8
153.09068	3.7
155.08522	2.4
157.10150	3.6
159.11700	18.8
161.13321	4.7
163.11186	7.7
165.09071	3.6
169.10173	4.4
171.11674	2.5
173.11874	2.2
173.13292	7.3
177.12749	17.4
179.14334	14.4
187.11223	8.3
205.12399	2.3
217.14389	7.2
219.17500	7.3
223.17056	3.3
229.19513	5.7
247.20641	5.7
257.18985	12.8
275.20074	100.0
321.24316	14.0
322.27460	7.3
343.10641	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
52.94619	1.7
53.03938	5.3
55.01875	3.7
55.05515	26.6
57.03420	4.8
57.07069	6.9
59.04999	2.7
61.02902	1.9
65.03925	1.9
67.05183	3.0
67.05509	38.3
69.03427	14.9
69.06728	2.6
69.07074	36.1
71.04993	12.3
71.54803	1.6
71.92608	1.6
77.03913	1.7
79.05503	26.2
81.03412	5.6
81.07063	100.0
83.04986	11.4
83.08637	9.1
85.02908	6.2
85.06557	10.7
91.05487	19.3
93.06480	3.2
93.07051	60.8
95.04445	1.9
95.04980	19.8
95.08614	71.3
97.02893	3.5
97.06545	13.9
97.10162	7.8
98.97534	2.4
99.04465	2.3
99.08074	5.1
101.05997	1.8
105.07033	37.2
107.08601	42.6
109.02868	3.1
109.06532	17.2
109.10161	49.2
109.10922	2.4
109.79301	1.8
111.08104	9.6
111.11694	4.1
113.05978	2.2
113.09663	2.3
117.07009	4.9
119.07807	2.4
119.08595	28.1
121.06492	4.6
121.10146	56.5
123.08060	8.1
123.11713	45.2
125.05984	3.3
125.09647	9.7
127.03915	2.2
127.07527	1.7
127.11201	2.4
131.08559	8.2
133.06468	2.0
133.10127	25.3
135.08083	8.2
135.11725	17.7
137.06033	2.3
137.09625	17.2
137.13249	8.1
139.11176	13.6
141.09088	3.2
141.12688	2.4
142.07732	1.8
143.08586	5.8
145.10129	17.7
145.85739	2.1
147.08148	2.3
147.11699	19.4
149.09602	6.5
149.13275	6.5
151.11220	12.6
153.09094	3.2
153.12701	4.7
155.10631	2.8
157.10147	3.8
159.11662	9.3
161.09583	3.0
161.13322	9.5
161.14445	1.6
163.11180	8.2
163.14828	6.9
164.05858	1.7
165.09094	4.6
165.12758	10.0
167.10669	12.2
169.10110	3.3
171.11668	4.0
173.13277	8.7
175.11230	4.1
175.14804	3.7
177.12743	4.9
179.10646	3.6
181.08578	2.5
181.12175	2.5
185.13318	3.9
185.66185	1.7
187.13283	1.8
187.14851	6.8
189.16440	1.9
191.14337	2.7
193.08594	2.3
197.11650	1.9
197.13370	2.9
201.12849	1.9
201.16455	2.8
205.15907	3.8
211.14906	4.1
221.15321	2.9
255.08502	2.4
257.22748	2.5
261.09018	4.1
267.21136	3.8
277.21472	2.6
285.22101	10.0
289.08792	4.1
291.23227	2.5
303.23187	39.4
306.08786	2.1
321.11002	6.4
321.17383	2.6
321.24252	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.5
61.02924	0.2
69.62584	0.2
70.06419	0.7
79.05453	0.2
82.99863	0.3
88.98522	0.2
90.66987	0.2
98.97585	2.1
101.00880	0.7
116.98647	0.8
119.01883	0.9
120.84543	0.2
122.97801	0.3
140.98846	0.8
142.03537	0.2
146.79929	0.2
158.99879	2.2
164.98767	0.2
177.00964	9.3
178.01164	0.2
182.99843	2.2
185.98627	0.2
195.15024	0.2
196.94655	0.2
201.00945	10.9
202.93582	0.4
218.54262	0.2
219.02013	100.0
220.02162	2.1
220.94662	0.2
221.02496	0.6
224.02594	0.4
226.93640	0.2
234.94466	0.2
235.44447	0.3
236.99545	0.2
237.03154	0.2
238.95586	3.4
242.03625	5.0
244.45068	0.2
246.94278	0.3
255.95259	0.2
256.96643	7.3
257.96732	0.4
260.00198	0.2
261.97113	0.2
262.95523	0.5
268.00195	0.2
273.94720	0.2
274.97696	1.1
276.95529	0.2
279.98257	1.2
280.96582	2.2
287.43091	0.2
295.92804	0.3
296.94873	0.2
298.97690	42.1
299.97748	0.7
303.98242	0.4
307.93314	0.3
316.93112	0.3
316.98801	0.4
319.43649	0.4
319.93875	0.4
321.99295	5.8
328.44266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69732	0.5
53.03964	0.5
55.01883	0.5
55.05495	0.5
56.58854	0.5
56.96576	0.7
57.03439	1.2
61.02942	2.6
67.05528	0.5
69.03436	6.0
70.63425	0.5
71.05006	0.7
71.53265	0.4
73.02924	1.2
75.68740	0.4
78.90239	0.5
79.30385	0.4
80.00746	0.4
81.03423	2.3
81.07037	0.5
83.01346	0.6
83.05019	0.7
85.02914	12.1
87.04474	1.3
91.05476	0.8
93.07050	0.5
97.02890	4.2
98.97598	0.9
105.07065	0.8
107.08581	4.5
109.02886	1.8
115.05464	1.7
120.08086	0.5
122.88522	0.5
125.09653	10.2
127.03928	2.6
136.07571	0.9
142.06525	8.5
143.10704	0.7
145.04965	1.1
147.04483	1.0
160.07599	100.0
169.38525	0.4
178.05000	0.6
190.09798	0.8
204.58054	0.5
209.01117	0.5
236.56699	0.5
256.10788	0.5
274.11951	0.5
276.12167	0.5
281.08661	1.1
304.12448	1.0
305.11407	1.4
322.09290	1.1
322.12854	13.4
323.12662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1287
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03943	1.1
54.66080	0.4
55.01864	0.7
55.06883	0.6
56.96550	0.5
57.03446	3.3
59.05008	0.5
61.02930	4.0
67.05508	0.5
67.54174	0.6
69.03079	0.7
69.03434	9.1
70.06592	1.5
70.99568	0.6
71.04999	0.7
73.02924	4.0
79.05486	0.7
81.03429	3.0
85.02908	14.3
87.04478	3.4
91.03946	1.0
97.02902	6.1
97.06539	0.5
98.00632	2.4
98.97591	1.4
99.04462	1.9
99.93694	0.5
101.02399	0.5
107.04935	0.8
109.02873	0.6
112.07620	0.7
115.03928	0.7
115.05464	2.9
115.34734	0.5
116.01660	0.9
117.05799	0.9
117.07005	0.5
117.33289	0.5
124.02180	1.4
125.05980	0.8
127.03916	3.5
128.51428	0.5
129.00089	0.7
130.06511	2.8
132.08119	6.2
142.03239	6.6
142.06526	25.9
142.08543	0.9
143.07277	8.6
144.08099	13.0
145.04951	1.0
145.06480	0.7
147.04417	0.6
158.06000	3.5
159.06781	1.7
160.04312	9.9
160.07587	74.4
161.07954	0.6
172.07579	0.7
189.05539	0.7
221.82141	0.5
229.09055	0.5
244.63608	0.5
258.01132	0.7
258.13031	0.7
276.02188	0.6
304.01578	2.3
304.14001	0.8
314.01266	0.5
322.12836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05293	0.4
51.60973	0.6
55.01866	0.7
56.96555	0.9
57.03423	1.2
61.02921	1.1
67.05502	0.6
69.03427	1.0
70.17023	2.1
71.50817	0.5
72.08169	0.6
73.02916	1.7
76.12701	0.5
79.05486	0.6
81.03413	1.0
81.07041	0.9
85.02898	2.7
86.09714	0.7
91.05463	0.7
91.54685	0.5
97.02895	1.6
97.06544	0.6
98.97583	1.4
109.02877	0.6
112.94699	0.5
116.98534	0.8
122.05989	0.9
125.05999	1.0
125.09637	1.1
138.19962	0.5
142.06522	8.5
143.10736	0.8
144.08102	4.0
145.07634	0.9
147.09180	1.5
159.91438	0.6
160.07613	5.5
161.07117	0.7
172.08745	5.3
173.07138	0.9
175.08701	2.5
189.08893	3.1
190.09760	29.1
191.08162	3.4
195.06514	0.6
202.09737	3.8
214.09761	2.7
215.08145	1.0
216.11406	2.0
227.10536	1.0
228.11316	11.7
229.09521	0.7
232.10849	3.6
240.11320	1.7
244.10869	3.8
245.11707	1.0
256.10812	21.9
258.12411	2.1
268.10962	0.8
274.11871	23.1
286.11984	3.1
292.12955	1.3
304.12943	15.3
305.11469	1.1
322.13977	100.0
323.12354	1.1
333.51523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
54.61100	1.4
55.01874	3.2
55.05518	3.4
57.03428	7.1
62.89556	1.4
67.05498	6.5
67.35716	1.5
69.03433	7.9
69.07070	7.1
69.67347	9.3
71.04986	1.7
78.22735	1.6
79.05064	2.1
79.05505	23.9
81.03480	2.0
81.07064	36.1
83.04988	2.9
85.02919	6.6
85.42774	1.5
91.05491	10.1
93.07038	7.9
95.01334	10.6
95.04996	7.6
95.08600	2.8
97.02876	1.9
97.06534	17.8
99.04492	2.0
103.60515	1.7
105.07052	3.6
106.07310	1.8
107.04993	4.6
107.08593	5.1
109.06536	22.7
109.10131	2.1
111.04452	3.4
111.08091	3.6
113.02383	4.1
116.06278	1.7
117.07075	3.4
119.04953	5.3
119.08603	9.0
121.06503	5.2
123.08095	3.0
125.06026	4.4
131.08585	2.7
135.04443	1.9
135.08076	6.5
137.06024	6.4
137.09668	1.9
139.03918	8.5
140.91673	1.5
141.01874	4.3
141.05525	2.7
145.06493	3.1
147.08022	9.4
149.05995	4.0
151.03993	1.9
151.07578	2.9
155.07027	4.1
159.02916	1.9
161.06026	1.7
161.43791	1.5
163.03871	1.7
163.07547	9.5
165.09134	15.6
167.07018	4.4
172.93311	1.7
175.07518	4.0
181.08688	7.6
183.10184	3.6
191.07031	3.7
193.08635	21.3
197.04475	4.7
199.09700	12.0
201.03935	1.9
209.08102	8.5
211.09653	12.0
219.06439	2.0
227.07188	1.7
227.09093	9.6
237.07578	5.4
255.08662	100.0
269.10242	2.9
273.09805	7.4
287.11374	2.6
304.23608	2.6
322.20773	2.3
322.24390	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04776	2.6
62.25537	2.7
69.49694	2.9
70.54876	5.3
70.55241	6.0
76.01256	2.6
119.95610	3.0
141.09955	3.0
141.35413	2.8
143.01907	5.5
161.02881	2.7
323.07382	100.0
323.11411	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	323.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59547	1.8
53.03939	3.8
55.05521	13.6
56.85878	2.1
57.03433	2.8
57.07071	2.6
57.24848	1.7
63.77876	1.8
63.91516	2.0
67.05510	43.0
69.07084	11.7
69.25855	4.7
69.26260	14.1
71.04996	2.7
71.08291	2.9
71.08645	39.5
79.05503	29.9
81.03416	5.6
81.07064	46.0
83.04990	9.9
83.08634	9.5
83.29284	1.9
85.06549	2.4
91.05489	22.8
93.06483	3.0
93.07054	50.0
95.04956	6.9
95.08615	32.0
97.06548	9.4
97.10163	3.5
98.68050	1.7
99.07478	3.3
99.08098	37.0
105.07051	14.5
105.38183	2.0
105.76566	2.0
107.04944	4.8
107.08607	33.0
109.06573	2.6
109.10156	14.4
109.24497	1.8
111.17986	2.2
113.09636	2.0
117.07000	3.9
119.08601	15.9
121.10153	29.1
123.11685	3.3
129.07011	2.5
131.08545	7.3
133.10172	10.7
135.11691	34.0
137.09630	2.9
137.13190	2.0
141.09140	3.3
145.10143	6.2
146.06664	2.3
147.11691	6.2
149.09576	2.6
149.13255	9.8
151.11189	18.3
153.12685	3.2
157.10150	3.2
159.11758	5.0
161.13313	11.8
163.11176	6.1
167.10678	3.3
171.11732	3.0
173.13283	3.7
177.12782	7.1
179.14326	100.0
184.52223	2.1
189.12762	3.1
195.13828	3.0
221.15347	3.0
235.16858	3.8
241.19702	3.2
259.20563	5.6
277.21631	55.4
305.28683	2.1
323.27060	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03932	2.7
55.01869	3.8
55.05266	1.4
55.05513	22.5
56.96536	1.5
57.03427	3.8
57.07087	6.2
59.04988	2.9
65.03928	1.6
67.05177	1.8
67.05509	29.2
69.03419	5.7
69.07070	52.0
69.98305	1.1
71.04989	6.5
71.08637	1.5
71.54265	1.2
71.54634	1.4
79.05495	15.6
79.43036	1.0
81.03410	2.6
81.07059	100.0
82.37688	1.0
83.04988	8.5
83.08616	10.5
85.02900	2.7
85.06553	9.0
85.89561	1.1
87.04463	2.9
90.92712	1.1
91.05480	9.8
93.06476	2.1
93.07048	37.1
93.61599	1.0
95.04981	12.1
95.08611	54.8
97.02885	2.0
97.06541	8.9
97.10172	7.9
98.38831	1.0
98.97581	1.5
99.04453	1.1
99.08080	8.3
101.06006	1.6
105.07037	21.3
107.08599	32.1
109.06539	11.6
109.10156	46.9
110.86774	1.3
111.08083	17.9
111.11714	8.3
113.06025	1.9
119.08582	12.9
121.06515	2.5
121.10143	30.6
123.08080	4.5
123.10815	2.3
123.11708	40.6
125.05967	1.1
125.09628	5.9
125.13269	1.3
127.07560	2.1
127.11189	1.7
129.07030	1.4
131.08563	5.4
133.06566	1.3
133.10126	11.8
135.08072	1.4
135.11682	15.6
137.05986	9.2
137.09630	4.2
137.13278	8.2
139.11209	11.1
141.12744	2.2
143.08583	2.0
145.10164	5.3
147.11699	14.3
149.05969	1.1
149.09651	3.6
149.13271	10.6
151.07559	3.2
151.11194	6.7
153.12730	7.8
155.10687	2.3
157.10153	1.6
159.11691	5.9
161.06026	4.8
161.09627	1.4
161.13243	5.2
163.11227	3.5
163.14922	2.7
165.12788	7.3
167.07065	1.8
167.10690	4.2
167.14349	2.0
169.12190	2.1
171.11688	1.7
173.13275	3.9
175.07726	1.1
175.14871	3.6
177.12820	2.1
177.16472	2.0
179.07007	1.8
179.14305	2.5
181.12273	3.2
187.13371	1.1
187.14865	2.3
189.16400	2.5
191.14423	1.8
193.15982	2.0
196.35803	1.1
199.14890	1.3
203.18074	2.9
207.17516	1.7
213.16377	2.7
213.43106	1.2
231.08141	1.5
263.10751	1.8
265.08646	1.2
269.22696	2.4
276.07748	1.9
287.23767	10.2
291.10156	4.3
293.24957	1.6
303.04935	4.1
305.24744	28.5
323.12683	8.6
323.25830	44.5
330.63364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03935	3.5
55.01862	4.4
55.05512	19.4
57.03426	2.9
57.07068	6.5
59.04988	5.6
65.03931	2.0
67.05176	2.1
67.05507	28.2
69.03437	15.3
69.07072	57.1
69.41585	8.7
71.01349	2.4
71.04996	31.8
71.08652	2.0
71.91494	1.7
73.02946	1.5
77.58006	1.6
79.05064	2.6
79.05495	37.3
81.03426	3.6
81.07060	90.5
83.04988	12.1
83.08622	14.4
85.02876	1.9
85.06545	5.3
91.05478	15.6
93.07049	84.3
95.04983	12.5
95.08611	64.5
97.02866	1.9
97.06547	11.0
97.10167	7.7
98.97578	4.1
99.04450	2.6
99.08072	3.5
105.07028	32.2
107.04951	2.1
107.08601	52.2
109.02876	2.1
109.06522	6.6
109.10163	53.2
111.08076	8.5
111.11716	9.8
113.06011	1.6
113.09641	1.5
116.98669	1.8
117.07000	4.7
119.08587	23.0
120.35254	1.4
121.06491	4.9
121.10149	100.0
123.08082	6.2
123.11704	29.8
125.06009	6.3
125.09616	5.9
125.13247	2.8
129.06989	2.4
130.07787	1.6
130.23494	1.5
131.08569	6.6
131.48117	1.5
133.10136	27.4
135.11703	46.7
137.05978	4.8
137.09615	6.1
137.13249	4.7
139.07590	1.6
139.11198	20.4
143.08566	2.6
143.10675	2.2
145.10135	18.0
147.11674	7.8
149.09621	4.9
149.13298	7.5
151.11201	7.1
153.12759	14.8
155.10622	1.9
157.10170	3.9
158.99657	2.4
159.11702	5.6
161.03030	1.4
161.05962	1.6
161.09622	4.6
161.13292	3.4
163.11218	20.5
165.12778	3.4
166.01060	1.7
167.10661	7.9
169.12189	1.6
173.13246	3.4
177.12822	1.6
179.10664	2.0
181.12241	22.0
183.13783	1.6
187.14787	2.1
189.16431	2.9
193.15973	3.1
199.07408	1.8
199.13310	2.5
231.08099	2.1
269.22641	3.5
287.23694	5.4
293.24765	2.3
305.24713	16.7
323.09250	2.6
323.12524	3.8
323.18307	8.0
323.25848	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	323.2584
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03942	4.7
55.01872	2.9
55.05269	1.9
55.05519	31.5
56.96577	3.0
57.03449	7.3
57.07087	8.4
59.05000	3.5
65.03951	1.9
67.05512	37.4
69.03439	9.9
69.07076	100.0
70.83379	1.6
70.83700	1.9
71.01353	3.2
71.05003	28.6
71.08644	3.3
73.06562	2.6
77.03925	1.7
79.05066	2.5
79.05499	30.5
80.51445	1.3
81.03418	3.2
81.07066	96.8
83.01326	1.4
83.04994	14.3
83.08631	15.9
85.02905	2.5
85.06552	8.3
91.05489	19.5
93.07055	94.5
95.04987	12.9
95.08619	97.0
97.02910	1.6
97.06548	15.4
97.10181	8.9
98.20815	1.2
99.04488	1.7
99.08098	11.7
101.06029	1.6
103.05500	1.6
105.07050	33.8
107.04959	2.6
107.08612	49.5
109.02841	2.4
109.06541	13.0
109.10172	48.2
111.08096	9.6
111.11733	19.2
117.07013	1.8
119.07797	1.7
119.08603	22.9
121.06530	4.5
121.10161	81.1
123.08071	12.0
123.11724	27.2
125.06039	1.7
125.09648	11.1
125.13287	2.6
127.03946	1.8
127.07632	1.8
127.11208	2.7
129.06981	1.4
131.08583	10.6
133.10156	22.9
135.08122	3.1
135.11713	21.9
137.05992	4.2
137.09648	10.9
137.13275	6.7
139.07578	1.8
139.11198	29.6
145.10132	7.6
147.04459	2.4
147.11699	13.0
149.09628	11.1
149.13281	14.9
151.07524	2.2
151.11186	9.4
151.14824	1.8
153.09077	1.5
153.12746	6.0
155.10666	4.0
157.10153	2.7
159.11710	6.8
161.06036	2.2
161.09642	4.5
161.13257	5.7
161.52632	1.4
163.11223	7.3
163.14848	3.9
165.12778	8.1
167.10689	27.5
167.14278	3.0
171.10242	1.3
171.11676	2.9
173.13292	3.5
175.11258	3.1
175.14850	3.4
177.12767	5.0
177.16389	3.9
179.14378	2.2
181.12279	5.7
183.13930	1.4
185.11711	2.3
185.13329	2.6
187.14825	2.9
189.16380	2.7
190.11156	1.4
191.14278	2.8
193.15889	1.7
195.13840	2.6
199.11649	3.0
201.16287	2.0
203.17833	1.5
205.15941	1.6
207.17453	3.8
213.16371	3.0
220.12979	1.2
231.08150	1.8
243.21040	2.0
248.08655	1.6
259.24249	1.3
263.10724	1.6
269.22687	4.6
279.23300	1.9
287.23755	8.6
291.10236	3.3
293.24915	1.6
305.24750	26.6
323.09381	1.8
323.12900	4.8
323.19714	2.1
323.25864	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	323.2581
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03935	4.3
55.01859	3.1
55.05269	2.1
55.05511	25.9
56.96565	2.2
57.03422	6.9
57.07079	8.6
59.04993	5.4
60.50254	1.6
67.05508	38.7
69.03431	12.0
69.07070	70.6
69.37033	10.6
71.01343	3.0
71.04992	22.5
71.08614	2.2
79.05064	2.8
79.05495	35.0
81.03413	4.0
81.07058	100.0
82.49665	1.7
82.92711	1.5
83.04978	8.6
83.08619	16.2
85.02894	3.0
85.06531	6.8
87.04475	2.0
90.67611	1.5
91.05486	23.7
93.07045	88.0
95.04972	19.0
95.08612	82.4
97.02865	2.1
97.06528	14.1
97.10166	8.1
98.97585	3.1
99.04510	1.7
99.08084	4.5
105.07030	39.4
107.04959	1.7
107.08598	49.5
109.06519	9.6
109.10159	52.4
111.08075	10.1
111.11722	11.6
117.07023	4.9
119.07792	2.3
119.08581	22.7
121.06509	6.1
121.10143	87.8
123.08070	7.0
123.11708	38.5
125.05978	3.4
125.09664	7.4
127.07536	2.8
131.08537	9.6
133.10139	22.1
135.08086	3.0
135.11690	34.4
137.05962	5.4
137.09630	11.4
137.13261	6.8
139.07518	2.0
139.11206	17.0
143.08542	3.1
145.10124	11.3
147.04404	2.7
147.07925	1.8
147.11690	13.0
149.09602	5.2
149.13258	14.0
151.07571	3.0
151.11180	6.5
153.09166	1.8
153.12764	11.5
155.10600	2.0
157.10112	4.0
157.12215	1.9
159.11710	5.7
161.09616	5.2
161.13283	5.5
163.11201	14.0
163.14931	3.7
165.12712	6.3
167.10690	16.4
169.12308	1.6
171.11545	1.7
173.13231	3.0
175.14822	4.6
177.12769	2.5
177.16409	3.6
181.12265	10.8
185.11649	1.9
185.13223	3.0
187.14847	2.7
189.16411	2.8
193.12227	1.8
193.15825	1.9
203.18056	2.8
213.16269	3.6
227.18040	2.3
231.08038	1.9
269.22803	3.8
275.23819	1.8
279.23361	1.5
287.23584	11.1
291.10123	1.8
293.24594	2.3
305.24698	25.4
323.15186	2.8
323.18408	2.6
323.25821	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27527	0.5
56.96557	1.2
57.03444	0.7
61.02915	0.5
69.03418	1.8
69.64551	2.4
69.64978	1.0
74.06081	5.3
81.07050	1.5
83.18862	0.5
84.04497	0.6
85.02898	4.4
85.06544	0.6
95.05007	0.6
97.02870	1.4
98.06024	0.8
98.97569	1.4
99.04458	0.9
105.07114	0.5
107.04954	0.8
109.02891	0.7
110.31728	0.5
116.04964	1.3
116.07109	2.8
116.98607	0.9
120.06565	2.3
120.08019	0.6
121.02896	0.6
123.04428	0.5
127.03912	1.5
127.07523	1.5
144.06552	2.0
145.04987	0.9
145.08583	1.1
158.99721	0.5
162.05502	100.0
163.03932	3.1
190.09723	0.8
248.72449	0.5
261.40118	0.5
279.04361	0.5
306.11694	0.9
324.10553	51.6
324.14862	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	324.1075
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
51.16346	0.4
54.94960	0.4
55.01855	0.4
56.96553	0.7
57.03435	0.9
61.02923	0.6
69.03433	1.5
70.05762	1.8
70.06606	0.4
73.02930	0.7
73.89610	0.4
74.06095	4.9
79.05499	0.9
81.07083	0.7
85.02911	3.5
88.25903	0.4
96.27671	0.4
97.02904	1.4
98.06074	0.5
98.97581	1.4
102.05560	0.6
105.03391	0.5
109.02882	0.7
109.06552	0.6
114.05509	0.5
116.05000	1.0
116.07118	2.3
120.06609	2.3
121.02874	0.5
122.58914	0.4
127.03904	1.0
127.07547	1.3
144.04497	0.5
144.06567	2.8
145.08592	1.0
158.99710	0.5
162.05522	100.0
162.07697	2.6
163.03932	2.3
288.10779	0.5
306.11679	0.9
307.80249	0.4
324.10587	36.5
329.74100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1078
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01848	0.5
55.26718	0.5
56.96553	1.5
57.03433	1.2
60.04077	0.4
61.02911	1.4
67.05503	0.8
69.03442	4.3
69.07075	2.3
69.63113	0.9
69.63527	2.0
71.05005	0.9
72.08158	3.1
73.02913	1.2
76.21754	0.5
79.05515	0.6
81.03414	1.9
81.07073	1.0
83.05002	0.8
85.02914	8.3
85.06535	1.4
86.09707	1.3
87.04481	0.8
89.85652	0.5
91.03934	0.7
97.02899	4.4
98.20810	0.5
98.97585	3.8
99.04470	2.6
109.02879	0.9
109.06533	1.5
110.97557	1.0
111.04441	0.7
116.98664	0.6
119.01830	0.6
121.26601	0.5
123.05622	0.5
127.03942	11.1
127.07559	7.1
128.98619	0.6
130.05046	0.5
131.01920	0.6
133.02798	0.7
133.76488	0.5
134.06015	1.5
137.06001	0.8
143.00146	0.6
144.10207	0.6
145.04967	4.5
145.07582	0.9
145.08623	2.4
153.01750	0.6
153.04912	0.9
158.71548	0.5
158.99660	2.6
161.04811	0.6
161.54872	0.5
162.05513	100.0
162.11270	2.0
163.05838	0.5
163.08745	0.8
165.05504	0.5
170.99718	0.6
171.05978	0.8
177.00714	1.6
177.03310	0.6
181.06500	0.5
191.04073	0.5
197.08037	0.5
197.51332	0.5
201.00697	0.5
219.01770	1.2
225.06752	0.4
231.71370	0.5
233.10811	0.5
233.56909	0.9
234.07576	6.8
234.57864	0.7
237.02759	1.5
242.07637	0.7
242.57695	0.5
243.08125	6.6
243.58240	0.9
305.09085	1.6
323.10181	2.3
324.10657	7.0
325.14142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01863	1.0
55.05495	2.5
56.96564	1.6
57.03435	4.1
57.07066	0.8
65.03939	0.9
67.05521	4.3
69.03430	5.5
69.07069	3.9
71.04994	11.4
71.05663	0.8
71.53577	1.5
76.24686	0.7
78.26868	0.8
79.05487	2.6
81.03413	2.7
81.07060	22.5
83.05026	1.1
85.02908	16.2
85.06546	48.2
91.05466	1.0
96.08135	0.9
97.02891	4.4
97.06525	4.9
98.97594	2.5
99.08076	3.2
105.07053	1.3
109.02882	2.7
109.06516	12.9
109.10168	2.1
115.07582	14.0
116.98640	1.6
121.06505	0.9
123.04470	1.2
124.07613	1.3
127.03911	3.8
127.07558	100.0
137.05911	0.9
138.05415	1.1
139.05077	1.4
140.07149	0.8
145.04944	2.7
145.08611	16.0
153.01811	1.0
160.39247	0.8
162.05458	5.0
163.03888	2.4
195.11369	1.9
202.49911	0.8
210.76588	0.8
215.40657	0.7
219.10217	0.8
235.09554	1.3
249.11201	1.7
312.11227	1.6
323.61481	0.9
324.10663	8.2
324.15369	4.3
328.66064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09619	1.1
51.22730	1.0
55.05508	2.0
59.04976	1.2
66.80874	1.0
67.05508	9.3
69.03427	2.5
69.07080	7.9
71.04988	5.6
71.53818	1.6
78.25111	1.3
81.03435	1.2
81.07039	1.9
83.08616	13.1
85.02910	11.3
93.76041	1.1
97.02928	2.1
102.60392	1.3
109.02886	2.3
109.10159	83.6
117.34744	1.1
121.02863	1.3
127.03919	1.6
127.11198	57.8
145.12239	100.0
194.72699	1.1
306.66263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09619	1.1
51.22730	1.0
55.05508	2.0
59.04976	1.2
66.80874	1.0
67.05508	9.3
69.03427	2.5
69.07080	7.9
71.04988	5.6
71.53818	1.6
78.25111	1.3
81.03435	1.2
81.07039	1.9
83.08616	13.1
85.02910	11.3
93.76041	1.1
97.02928	2.1
102.60392	1.3
109.02886	2.3
109.10159	83.6
117.34744	1.1
121.02863	1.3
127.03919	1.6
127.11198	57.8
145.12239	100.0
194.72699	1.1
306.66263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03936	0.3
55.01876	0.4
55.05514	1.5
57.05787	0.3
57.07077	0.5
65.03965	0.4
67.05508	3.5
68.25191	0.3
69.03424	0.4
69.07069	9.1
69.26460	1.8
69.26883	0.6
70.04077	3.1
71.04981	0.3
74.02438	0.5
79.05491	3.3
81.03408	0.3
81.07060	6.5
83.04984	3.7
85.02876	0.3
86.09708	100.0
87.10030	0.4
91.05482	8.9
93.07049	12.1
95.04963	2.5
95.08601	2.1
97.02887	0.3
97.06523	0.3
104.39416	0.3
105.07034	13.8
107.04966	0.5
107.08602	3.4
109.06522	8.7
109.10166	1.5
111.08076	3.8
113.87843	0.2
117.06998	0.7
119.08586	3.5
121.06496	0.5
121.10159	1.1
123.08067	1.1
123.11720	0.8
128.10722	5.6
129.07034	1.1
131.08569	4.5
132.10208	31.5
133.06473	1.0
133.10135	19.1
137.05962	0.5
142.07843	0.3
147.08124	0.4
147.11693	12.1
149.09624	1.6
149.13281	1.1
151.07579	4.0
151.11186	44.6
156.10254	1.9
157.10121	0.7
165.12764	1.8
165.24846	0.2
167.14337	0.7
174.11241	0.3
175.11189	4.1
192.13875	0.5
193.12247	3.8
206.03391	0.2
210.14925	0.8
222.14937	1.1
238.83533	0.3
260.17612	0.5
260.20111	6.3
278.21158	29.6
306.20648	7.5
316.60480	0.3
324.14935	1.4
324.21689	24.0
337.12973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01868	0.9
56.35590	0.6
56.96560	1.9
57.03439	1.5
61.02926	1.6
64.66935	0.6
67.05519	0.8
69.03437	4.5
69.07077	0.9
69.85807	2.1
71.04967	0.7
73.02915	1.2
81.03420	1.7
81.89137	0.6
85.02910	14.2
91.03967	0.9
91.05487	0.9
93.07097	0.6
97.02890	5.1
98.20753	1.1
98.97581	3.8
99.04446	1.0
107.08595	0.6
109.02871	1.6
110.97637	0.8
116.98618	1.2
118.06541	2.2
119.01844	0.5
121.02867	0.6
126.43549	0.5
127.03944	4.7
133.07620	2.0
145.05084	4.6
145.07611	56.3
146.08360	1.6
160.98857	0.7
161.05959	0.5
162.05511	3.4
163.03838	1.2
163.05962	4.0
163.08670	34.0
164.07104	1.8
165.05484	0.7
170.99712	0.6
181.24239	0.6
184.02159	0.6
185.04227	0.9
191.03636	0.7
196.65056	0.5
219.01724	1.4
234.57762	1.1
237.02789	1.0
238.03394	0.6
243.58188	0.8
257.60880	0.6
258.78796	0.6
259.05997	0.6
289.11780	0.9
307.12711	0.9
310.05356	1.6
325.08954	100.0
325.13898	49.1
326.09106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.1
55.05508	26.0
57.03437	14.4
58.85277	7.3
67.05510	37.7
69.03429	51.0
69.07082	43.1
71.53278	8.5
73.02930	8.2
79.05495	20.2
80.69264	5.3
80.94537	5.3
81.07055	60.4
82.52905	5.3
83.04979	18.7
83.08626	12.0
85.02927	51.6
85.06580	12.9
85.07163	5.3
91.05475	26.9
93.07051	28.1
95.04965	17.7
95.08627	35.1
97.02872	10.0
97.06541	7.0
97.10188	6.5
101.05978	7.0
103.05461	20.1
103.95849	5.9
105.07032	27.5
107.04945	11.9
107.08611	29.4
109.06520	8.8
109.10165	24.4
111.04424	9.7
111.08089	14.1
113.06006	22.1
115.05454	18.0
117.07029	19.6
119.04913	18.8
119.08595	9.0
121.02881	8.4
121.06526	15.1
121.10145	15.2
123.08087	10.2
123.11713	27.6
127.03928	11.4
129.06987	6.0
131.04942	32.7
131.08507	10.2
133.02979	5.8
133.06534	7.6
133.10117	15.2
135.04402	14.8
135.08066	13.4
137.05983	100.0
137.13158	7.8
139.03973	6.9
141.07050	10.0
141.82349	5.9
143.04921	10.1
145.06480	23.4
145.10081	12.1
147.04405	27.8
147.08080	8.1
147.11681	8.7
149.05977	19.5
149.13263	7.8
151.07539	38.0
157.06564	17.3
158.03856	6.2
158.07353	7.0
159.04448	11.6
159.07993	7.5
160.05180	8.7
161.05997	17.4
161.09608	7.6
163.03958	45.9
163.07574	69.4
167.07077	24.3
169.06473	13.7
171.08043	7.6
173.06006	17.3
175.07582	52.8
177.05499	36.6
177.09111	9.7
179.07045	21.2
181.08611	57.8
185.06007	13.9
186.06795	6.5
187.07506	25.4
189.05386	10.2
189.09085	15.9
191.07025	47.8
193.08635	13.4
197.06081	10.5
199.07407	12.4
201.09091	13.6
203.07031	13.8
205.08582	14.9
207.06532	9.4
209.08139	15.5
215.07013	17.3
217.08562	33.2
219.10385	7.6
221.08121	25.4
228.27388	6.8
229.08658	39.1
231.10199	8.0
233.08154	17.9
247.09618	12.8
251.09114	9.9
259.09659	23.7
261.11298	6.7
289.10648	13.0
289.25186	7.0
307.11780	28.0
307.19055	11.8
307.26294	13.2
325.10471	11.5
325.14111	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	325.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.1
55.05508	26.0
57.03437	14.4
58.85277	7.3
67.05510	37.7
69.03429	51.0
69.07082	43.1
71.53278	8.5
73.02930	8.2
79.05495	20.2
80.69264	5.3
80.94537	5.3
81.07055	60.4
82.52905	5.3
83.04979	18.7
83.08626	12.0
85.02927	51.6
85.06580	12.9
85.07163	5.3
91.05475	26.9
93.07051	28.1
95.04965	17.7
95.08627	35.1
97.02872	10.0
97.06541	7.0
97.10188	6.5
101.05978	7.0
103.05461	20.1
103.95849	5.9
105.07032	27.5
107.04945	11.9
107.08611	29.4
109.06520	8.8
109.10165	24.4
111.04424	9.7
111.08089	14.1
113.06006	22.1
115.05454	18.0
117.07029	19.6
119.04913	18.8
119.08595	9.0
121.02881	8.4
121.06526	15.1
121.10145	15.2
123.08087	10.2
123.11713	27.6
127.03928	11.4
129.06987	6.0
131.04942	32.7
131.08507	10.2
133.02979	5.8
133.06534	7.6
133.10117	15.2
135.04402	14.8
135.08066	13.4
137.05983	100.0
137.13158	7.8
139.03973	6.9
141.07050	10.0
141.82349	5.9
143.04921	10.1
145.06480	23.4
145.10081	12.1
147.04405	27.8
147.08080	8.1
147.11681	8.7
149.05977	19.5
149.13263	7.8
151.07539	38.0
157.06564	17.3
158.03856	6.2
158.07353	7.0
159.04448	11.6
159.07993	7.5
160.05180	8.7
161.05997	17.4
161.09608	7.6
163.03958	45.9
163.07574	69.4
167.07077	24.3
169.06473	13.7
171.08043	7.6
173.06006	17.3
175.07582	52.8
177.05499	36.6
177.09111	9.7
179.07045	21.2
181.08611	57.8
185.06007	13.9
186.06795	6.5
187.07506	25.4
189.05386	10.2
189.09085	15.9
191.07025	47.8
193.08635	13.4
197.06081	10.5
199.07407	12.4
201.09091	13.6
203.07031	13.8
205.08582	14.9
207.06532	9.4
209.08139	15.5
215.07013	17.3
217.08562	33.2
219.10385	7.6
221.08121	25.4
228.27388	6.8
229.08658	39.1
231.10199	8.0
233.08154	17.9
247.09618	12.8
251.09114	9.9
259.09659	23.7
261.11298	6.7
289.10648	13.0
289.25186	7.0
307.11780	28.0
307.19055	11.8
307.26294	13.2
325.10471	11.5
325.14111	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	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.62630	0.3
57.03426	0.4
61.02919	0.9
69.03440	2.0
69.65369	0.6
69.65705	2.0
72.09608	0.3
73.02914	0.8
78.88820	0.3
85.02914	4.1
87.04469	0.3
88.85383	0.3
91.05477	0.6
97.02905	1.7
98.97582	0.6
99.04457	0.5
101.00935	0.4
109.02843	0.3
111.55357	0.3
111.65410	0.3
117.05772	0.5
118.06556	3.5
127.03960	1.9
132.37260	0.3
133.07620	3.9
145.07616	100.0
146.08403	1.9
147.09250	0.6
153.05783	0.6
153.55917	1.0
154.05698	0.4
161.06592	0.5
162.06718	0.4
163.05084	2.5
163.08673	61.0
186.76254	0.3
205.05562	0.4
215.07700	0.5
234.58452	0.4
235.08392	1.0
244.08865	0.5
305.10709	0.4
306.11057	1.0
323.12036	0.4
324.12033	0.4
325.13959	84.1
326.14227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03944	2.7
55.05513	23.9
57.07077	8.1
58.82510	2.5
65.41518	2.4
67.05508	29.3
68.31776	2.3
69.03421	14.5
69.07070	94.1
70.67555	5.2
71.04990	10.7
71.08607	3.1
79.05482	14.9
81.07058	100.0
83.04975	5.8
83.08615	15.3
85.02907	12.2
85.06538	15.4
91.05505	12.9
93.07051	38.5
93.89400	2.7
95.04980	4.2
95.07699	2.6
95.08609	60.0
97.06516	7.6
97.10170	7.5
97.55202	2.7
99.08082	8.2
103.05440	4.7
105.07034	21.9
105.54141	2.6
107.04948	5.6
107.08599	35.9
109.06538	6.5
109.10156	39.2
111.08088	20.5
111.11718	22.3
117.06993	3.2
119.08581	15.0
121.06475	3.1
121.10162	29.6
122.05800	2.7
123.08067	5.8
123.11721	38.7
125.09624	7.6
131.04916	5.4
131.08600	3.1
133.10156	12.9
135.04457	6.3
135.08022	4.3
135.11700	19.4
137.05984	17.4
137.09724	4.0
137.13304	14.6
137.14252	3.2
139.03909	10.5
139.11171	21.4
145.02837	6.5
145.10112	4.8
147.11719	19.5
149.13248	13.9
151.11189	11.1
151.14853	3.0
153.12752	16.4
159.11658	4.8
161.06020	3.3
161.13246	6.0
163.03908	35.2
163.07559	5.4
163.14813	3.6
165.12753	13.9
169.12221	8.7
173.13237	2.6
175.14842	3.9
181.12299	11.6
193.15981	2.7
203.17958	4.3
205.10089	4.2
231.28934	3.2
233.09755	5.8
261.09189	4.5
264.07578	2.7
265.12341	4.6
271.24161	5.2
277.25348	4.7
281.08142	3.8
289.25284	18.9
293.11801	9.7
295.10016	3.3
307.26263	38.0
310.11844	3.4
325.10693	8.1
325.14178	41.9
325.27426	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	325.2741
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03945	1.3
55.01875	1.0
55.05518	18.2
56.96577	1.0
57.03437	2.0
57.07085	6.5
59.05008	2.4
67.05513	11.7
69.03450	3.3
69.07076	100.0
71.05005	2.7
71.08651	1.6
73.01237	0.7
73.06580	1.3
79.05506	6.1
81.07067	40.5
83.04998	6.4
83.08628	10.1
85.02922	2.6
85.06560	5.6
87.74883	0.7
91.05505	3.4
93.07055	15.4
95.04993	2.5
95.08618	31.0
97.02857	0.8
97.06539	5.7
97.10187	4.0
98.97581	1.5
99.04498	0.6
99.08102	4.5
101.06058	1.7
105.07037	6.1
107.08611	13.5
109.06540	3.0
109.10173	16.5
111.08082	4.9
111.11731	26.5
113.09632	0.9
116.22749	0.7
119.08587	5.5
121.06610	0.7
121.10175	10.0
123.08153	0.9
123.11720	13.2
125.09695	1.3
125.13284	1.0
127.03992	0.7
127.11237	2.2
129.12784	1.9
131.08600	1.0
133.10190	3.0
135.11725	9.0
137.09619	1.1
137.13264	6.3
139.11198	21.7
145.05013	1.4
145.10155	2.2
147.11719	3.6
149.13284	5.5
151.11252	1.4
151.14876	2.7
152.46295	0.6
153.12772	6.4
155.10739	0.8
155.14319	0.6
157.12233	5.3
159.11754	3.3
161.13252	3.5
163.11247	1.3
163.14868	2.0
165.12756	3.3
167.14369	1.8
173.13374	1.0
175.14909	1.2
177.12805	1.1
177.16443	1.2
179.14397	1.8
181.12372	1.9
185.15405	0.7
189.16571	1.4
191.18123	0.9
195.63170	0.6
207.17537	0.9
215.17998	1.5
217.19557	0.7
219.17366	0.8
263.23926	2.0
289.25247	5.4
295.26355	3.3
301.14966	1.8
307.26346	31.5
325.10794	1.3
325.12106	1.1
325.16315	20.9
325.27423	11.5
330.94254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
55.05510	13.3
56.96566	6.2
57.03439	1.9
57.07075	4.8
57.96414	0.6
59.04993	1.5
64.11093	0.6
65.03942	2.4
67.05506	11.9
68.99789	2.5
69.03433	3.9
69.07069	93.7
69.96960	1.4
69.97370	2.2
71.05003	2.1
71.08633	1.6
73.02938	0.7
75.01952	0.6
76.58229	0.8
78.51013	0.6
79.05486	5.7
81.03413	0.8
81.07056	31.6
83.04983	4.0
83.08623	6.7
85.02898	3.1
85.06544	4.3
89.03864	0.7
91.05483	3.7
93.03417	1.6
93.07043	11.7
95.04954	2.3
95.08606	27.6
95.35187	0.6
97.02887	2.2
97.06532	3.6
97.07092	0.7
97.10169	2.9
98.97633	0.7
99.08091	6.1
101.06007	1.8
105.07030	6.4
107.04947	1.4
107.08598	10.1
109.02840	1.0
109.06516	2.1
109.10160	15.2
111.04437	6.2
111.08064	3.4
111.11723	24.5
113.09628	0.9
117.03372	1.8
117.06965	0.8
119.08563	4.8
121.02888	1.5
121.06550	0.9
121.10134	8.3
123.04462	0.7
123.08056	1.8
123.11711	9.5
125.09657	2.0
127.03973	1.1
127.11178	1.8
129.06998	1.1
129.12738	1.3
131.08575	1.6
133.10110	4.0
135.04443	3.2
135.08014	2.0
135.11702	5.6
137.05965	2.1
137.09679	1.3
137.13248	4.1
139.03903	100.0
139.11182	20.0
139.12013	0.3
141.06950	0.8
143.08508	1.1
145.02866	1.6
145.10106	1.5
147.11690	2.8
149.13268	4.0
151.03941	0.9
151.07552	0.8
151.14813	3.4
153.06982	5.2
153.12746	2.5
155.10680	1.5
155.14270	0.9
157.12242	4.9
159.11728	2.6
161.05916	0.7
161.13272	3.7
163.03899	17.9
163.07466	0.8
163.11130	0.8
163.14806	2.5
165.12740	1.7
167.08620	0.9
167.14331	2.2
171.08044	0.8
173.11708	0.6
173.13191	1.5
175.07532	2.2
175.11168	1.1
175.14816	0.8
177.12759	1.2
179.14294	4.1
181.05000	1.0
181.06485	3.3
187.07571	2.8
187.14859	1.8
189.16336	1.5
199.07501	6.9
213.05629	0.7
215.18011	1.0
225.00272	0.6
225.02478	0.8
233.00662	0.9
237.18471	0.8
243.03326	1.4
250.06142	0.7
255.06346	0.8
261.04459	3.6
263.23911	1.1
265.03915	0.8
275.02216	1.5
279.05496	4.9
283.06003	2.8
284.06006	0.9
289.25229	5.2
293.03363	3.9
295.06039	4.4
295.26181	2.3
296.06750	2.6
297.07089	2.6
307.09470	0.7
307.26306	44.5
325.10629	56.9
325.16144	14.1
325.19919	1.0
325.27353	9.3
326.11081	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	325.2741
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
52.65157	0.4
53.03949	0.5
55.01869	0.8
55.05516	14.7
57.03432	1.6
57.07084	6.0
59.05001	1.7
60.35801	0.4
62.27513	0.4
62.38866	0.4
65.03974	0.5
66.85236	0.4
67.05508	7.9
67.05834	0.7
69.03443	2.2
69.07075	100.0
70.07404	0.4
71.04992	2.2
71.08640	1.1
73.02933	1.6
73.06562	0.7
79.05499	3.9
81.07066	31.4
83.04980	2.4
83.08634	5.1
85.02932	1.5
85.06558	4.4
85.10194	0.7
90.43500	0.4
91.05473	2.0
93.07051	11.5
95.04971	1.1
95.08615	32.9
96.77664	0.4
97.06548	4.3
97.10178	2.8
98.20718	0.9
98.97601	0.9
99.08111	3.0
101.06020	2.4
105.07043	4.2
107.05006	0.4
107.08607	9.5
109.02893	0.6
109.06560	1.2
109.10172	11.8
111.08104	4.7
111.11733	28.2
113.09644	0.5
115.07598	0.6
119.08591	3.5
121.06548	0.5
121.10164	7.9
123.08089	1.3
123.11730	8.6
125.09641	1.0
127.11207	1.3
129.12807	1.9
131.08630	0.7
133.10143	2.3
135.08092	0.5
135.11716	5.3
137.05988	0.7
137.09662	1.0
137.13266	4.3
139.11195	24.0
143.44579	0.4
145.05022	0.5
145.10181	1.6
147.04376	0.5
147.11700	2.8
149.13309	3.2
151.11229	1.8
151.14844	4.3
153.12744	5.8
155.10706	0.5
157.12254	6.8
159.11703	1.5
161.09688	0.6
161.13254	2.2
163.03976	2.1
163.11188	0.7
163.14810	2.1
165.12766	2.6
167.14450	0.8
169.15964	0.9
173.13232	1.0
175.14854	0.6
177.12819	0.6
177.16380	1.0
179.14420	0.8
180.17455	0.4
181.12306	0.7
189.16420	1.2
191.18027	0.9
201.16545	0.8
209.18970	0.7
215.18030	0.7
245.22729	0.7
251.20120	0.5
263.23657	2.5
281.24710	0.6
289.25311	3.3
295.26440	1.5
307.26318	18.4
325.10898	1.2
325.27393	11.7
325.31033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27129	0.2
53.03942	0.7
55.01873	1.1
55.05516	0.3
57.03439	1.5
58.50803	0.2
60.10472	0.2
61.02930	2.5
69.03083	0.3
69.03432	4.6
71.04996	1.1
71.53031	0.3
73.02907	0.9
78.03722	0.2
81.03419	2.7
83.01334	0.2
85.02910	14.6
87.04478	1.0
91.03954	0.8
91.05486	0.3
93.07033	0.3
94.06575	0.3
95.96301	0.2
97.02895	4.5
98.97538	0.3
98.98476	5.6
99.04458	0.9
107.04891	0.2
108.08128	0.4
109.02894	1.6
118.06522	0.6
119.04961	0.2
122.06038	4.7
122.09665	0.2
127.03923	3.0
129.05492	0.2
136.07597	1.6
145.04979	2.7
146.06023	1.2
150.12767	0.5
151.13596	0.3
162.05553	0.3
164.07077	100.0
165.07422	0.5
174.05550	0.7
174.99226	1.2
182.08133	0.3
188.07088	0.5
206.08124	0.4
250.99899	0.2
282.17068	2.1
290.71567	0.3
308.11328	0.4
326.12433	4.6
326.19696	1.8
327.14182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1421
Annotation	Clemizole
Peak:m/z	Relative Intensity
55.05507	0.7
56.96562	0.6
57.07049	0.6
58.99592	0.4
67.05507	3.4
69.03436	0.6
69.07073	0.6
69.60385	2.3
71.04993	0.6
81.07068	1.1
85.02902	1.4
86.00666	0.6
87.44628	0.3
91.05461	0.8
93.07079	0.6
95.08604	6.3
97.02901	0.8
98.00626	0.6
98.98468	24.7
105.07051	0.8
107.08636	0.5
109.10155	11.4
112.02154	0.4
112.46529	0.4
112.58264	0.4
116.98631	0.4
116.99472	0.5
118.06460	0.4
119.08605	1.3
121.10137	1.4
124.07597	0.4
126.03732	0.6
130.06470	0.7
134.06102	0.4
135.11719	0.4
136.07579	0.7
138.03664	0.9
138.09221	0.4
145.08795	0.4
145.10141	0.8
147.11649	2.6
148.07455	0.4
150.03723	0.8
151.03882	0.5
152.05292	1.0
154.03214	0.6
156.09314	0.4
161.13289	0.4
163.03940	0.9
164.04225	1.0
164.05304	1.5
164.07072	1.6
166.03270	0.6
166.06799	0.6
168.04793	0.6
170.09566	0.4
171.99704	0.4
174.99234	3.7
176.05476	0.5
177.06056	0.4
178.06883	2.3
180.04778	1.2
182.06279	0.4
186.12831	0.5
188.05339	1.0
188.07011	0.6
189.06088	0.7
190.06859	1.5
194.09933	0.9
196.04301	1.4
198.12807	0.7
200.03827	0.7
202.06857	0.4
203.07643	2.2
204.08398	3.5
206.06409	0.8
209.04996	0.7
210.05959	1.4
211.06660	0.8
212.03775	8.5
212.14355	0.8
213.15091	0.7
214.05342	1.3
216.08470	2.4
218.10037	0.9
219.10770	0.4
220.11511	1.0
222.05936	0.6
222.09465	1.1
223.06726	1.1
224.07376	1.9
225.08171	1.0
226.05328	7.9
230.10069	0.5
231.10703	1.6
237.08281	0.6
240.06900	0.6
244.11673	0.6
246.13132	16.6
250.08955	2.7
250.99997	0.7
252.06953	6.8
264.11240	0.8
264.14169	15.4
265.11334	7.2
266.12134	1.5
275.09766	0.6
284.13528	0.5
290.12115	2.2
308.13196	16.5
326.14212	100.0
327.14499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
58.64076	0.4
67.05499	2.4
69.03426	1.3
69.07061	1.9
71.53088	0.6
81.07070	1.6
83.04941	0.7
83.08627	4.9
85.02897	2.2
85.06480	0.6
86.00648	0.6
91.05485	0.8
93.07061	0.9
95.04960	0.7
95.08605	7.4
97.02914	1.3
98.00669	0.8
98.98475	30.5
105.07040	1.4
109.02870	0.5
109.10165	12.2
116.98694	0.9
116.99509	0.7
119.08574	1.0
119.99969	0.5
121.10136	1.3
122.06064	0.7
124.07623	0.6
126.03780	0.6
127.03928	0.8
129.09135	7.3
136.07620	1.5
138.03793	1.0
138.09167	0.5
140.07085	1.0
147.10197	1.6
147.11716	2.1
150.03662	0.7
152.05331	1.3
153.01877	1.1
159.11717	0.6
161.13254	0.5
162.05510	0.7
164.05374	2.4
164.07077	1.4
166.03271	1.2
168.04832	0.6
174.99263	4.9
177.06000	0.5
178.06844	2.5
180.04822	1.3
180.06448	0.5
182.08163	1.9
186.12851	0.5
188.05350	0.6
190.06815	1.1
194.06337	0.6
194.09967	0.6
196.04337	0.8
197.05164	0.5
198.12834	1.3
200.03708	0.7
202.06882	1.1
203.07652	1.3
204.08408	3.2
208.08031	0.5
209.05159	0.7
210.05873	1.6
211.06679	0.8
212.03790	8.8
212.14349	1.2
213.14995	1.0
214.05338	1.5
216.08508	1.6
218.09967	1.0
220.11685	0.6
222.05576	0.9
222.09531	0.6
223.06624	1.3
224.07498	2.0
225.08249	0.8
226.05357	6.4
228.04875	0.7
231.10864	2.1
246.13145	13.8
248.09308	0.6
250.08978	3.6
251.00038	1.0
252.06937	7.7
262.12640	0.7
264.14227	11.1
265.11356	7.1
266.12198	2.5
268.09958	0.7
290.12048	3.0
308.13202	19.7
326.14255	100.0
327.14551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	0.5
58.81672	0.5
58.99603	0.8
67.05517	3.9
67.46337	0.4
69.03423	0.6
69.07089	0.7
69.47285	3.3
81.07067	1.1
83.08633	0.5
85.02895	1.5
85.06549	0.6
93.07057	0.7
95.08614	7.7
98.00619	0.7
98.21576	0.9
98.98476	28.1
100.02246	0.6
109.06570	0.5
109.10168	12.4
111.02682	0.5
112.02174	0.6
116.80759	0.5
116.99522	0.5
119.08598	1.0
121.10180	1.1
121.68549	0.4
126.03723	0.6
127.03900	0.5
130.06543	0.5
138.03760	0.6
141.00598	0.5
144.08142	0.7
146.06068	0.6
147.11665	2.3
150.03714	0.8
152.05251	1.2
154.03215	0.8
158.99565	0.4
160.07587	0.5
160.11163	0.5
161.13272	1.0
163.03860	0.6
164.05319	2.1
164.07094	1.5
166.03250	1.0
166.06874	1.0
168.04768	1.5
174.99248	3.7
176.05310	0.6
177.06088	0.7
178.06842	2.4
179.32414	0.5
180.04799	1.7
183.98244	0.5
187.11223	0.5
188.05344	0.9
188.07059	0.6
190.06856	1.5
192.08429	0.4
194.09959	0.5
196.04248	1.5
197.12077	0.6
198.12773	0.7
203.07701	1.6
204.08466	3.4
206.06325	0.7
208.07932	0.7
209.05200	0.6
210.05827	1.3
211.06702	0.6
212.03778	6.7
212.14288	0.8
213.15137	0.8
214.05324	2.2
216.08508	2.2
218.10002	1.1
220.11575	0.7
222.09540	1.0
223.06644	1.9
224.07448	2.1
225.08197	0.9
226.05376	9.2
230.09717	0.5
231.10815	2.0
240.06888	1.0
246.13144	14.4
250.08998	3.5
251.00151	0.9
252.06964	6.1
262.12747	0.8
264.14203	15.5
265.11334	7.3
265.14047	0.8
266.12167	1.7
270.08157	0.5
275.09879	0.7
276.74222	0.5
284.13528	0.8
290.12067	2.1
308.13196	15.8
326.14236	100.0
327.14423	0.9
329.60712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01877	3.1
55.05261	0.8
55.05513	8.0
56.26359	0.6
56.96565	1.7
57.03437	5.1
57.07055	0.8
58.67451	0.6
59.04992	1.3
61.02927	9.3
66.33463	0.6
67.05481	0.9
69.03435	17.2
69.03812	0.9
69.07072	16.9
70.07404	0.6
71.05007	2.4
71.54877	0.7
73.02917	4.7
74.86138	0.6
81.03428	8.2
82.06568	0.9
83.01345	0.8
83.08624	24.8
85.02908	100.0
85.07327	0.7
86.03246	1.0
87.04472	2.5
91.03951	6.0
97.02900	27.8
98.97617	2.3
98.98474	24.5
99.04468	4.4
100.04021	0.7
101.02348	0.7
101.09660	16.1
103.03943	0.9
105.07050	0.9
109.02883	8.5
111.11702	4.1
115.03963	0.9
116.98680	0.7
116.99519	0.6
119.10754	1.9
126.09146	1.4
127.02960	1.3
127.03915	24.6
129.12779	2.2
136.07599	1.0
137.06046	2.2
145.04968	47.3
147.10182	5.5
147.13823	7.7
149.05960	0.6
153.01843	10.2
153.02995	0.9
154.02194	1.4
154.08653	2.8
156.04440	0.8
163.03973	1.2
163.06039	11.1
164.04279	1.0
164.07079	1.1
174.99260	3.9
180.08707	1.2
188.07030	1.1
193.02031	0.8
234.06659	0.7
237.04474	1.0
238.05313	0.8
239.06021	1.4
257.07068	2.5
281.08755	2.3
281.59024	0.8
303.05246	1.1
305.07825	6.2
305.58066	1.7
309.15366	0.8
314.08502	1.8
326.10303	1.3
326.13809	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	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03959	0.8
55.01882	1.2
55.98192	0.4
57.03408	0.5
61.02918	0.4
65.03953	0.4
67.05518	0.6
69.03435	0.9
69.07085	0.5
70.61429	0.4
71.53757	0.6
73.13259	0.4
73.86467	0.3
77.03918	0.5
78.82513	0.4
79.05521	2.5
80.27798	0.4
81.03435	1.0
81.07073	2.3
91.05485	4.6
93.07041	1.5
94.04176	2.4
95.04961	0.8
95.08616	1.5
97.02910	0.5
98.98472	75.3
103.05475	16.2
105.07040	8.5
107.04964	2.7
107.08594	1.3
109.02908	0.7
109.06502	2.9
109.10155	1.3
115.05456	1.3
116.99514	1.0
117.07027	2.8
119.04940	1.6
119.08656	1.0
121.06525	5.3
121.10144	0.4
122.03651	7.4
123.04436	1.4
123.08067	1.1
123.11729	0.9
127.03915	0.5
128.06250	0.7
129.06998	0.9
131.03925	0.6
131.04938	18.9
133.06499	33.9
134.06818	0.5
135.06998	0.5
135.08046	10.0
135.08997	0.8
136.05196	0.6
137.05983	100.0
137.09595	1.1
143.04926	0.8
143.08565	0.7
145.06480	7.9
147.04422	1.6
147.08018	2.1
147.11745	0.9
149.06027	2.0
151.03973	0.4
151.07553	12.4
157.06444	2.6
159.04333	0.5
160.05183	0.6
161.06018	0.5
161.09663	0.7
162.06801	0.9
163.07550	50.4
165.09167	1.5
171.08044	1.4
172.05212	0.6
174.99243	10.8
175.00697	0.8
175.03958	4.0
175.07561	4.1
175.11298	0.5
177.09105	1.5
177.16452	0.4
187.07602	1.2
188.08459	0.7
189.09129	2.3
195.08102	0.5
201.09285	0.5
202.07962	0.4
203.10739	2.3
205.04950	0.9
207.08047	0.5
217.10191	0.8
220.08707	0.5
230.50169	0.4
231.08005	0.5
235.11285	1.9
245.09702	0.8
248.08427	0.5
249.09117	0.5
251.00015	2.0
258.71204	0.4
263.10660	4.5
277.08630	0.5
295.09995	0.5
295.13266	14.1
312.13425	0.5
327.08807	3.1
327.12372	1.5
327.15933	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
50.82747	0.3
52.55942	0.3
53.03946	0.7
53.49704	0.3
55.01869	1.2
55.05492	0.4
56.27120	0.3
57.03437	0.5
65.03941	0.4
67.05503	1.1
69.03423	1.8
69.07057	0.5
70.54865	0.5
70.55209	0.8
71.05001	0.4
77.03931	0.6
78.91797	0.3
79.05499	2.9
81.03421	1.6
81.07059	2.8
83.05014	0.5
85.02914	1.0
85.06514	0.6
86.08066	0.4
91.05483	4.7
93.07039	1.3
94.04182	2.6
95.04974	1.3
95.08591	1.3
97.02920	0.6
98.98464	71.9
99.08090	0.5
103.05464	16.4
105.07033	9.2
107.04945	3.2
107.08571	0.9
109.02882	1.1
109.06507	3.1
109.10160	1.9
115.05464	1.9
116.99508	1.3
117.07040	2.3
119.04958	1.3
119.08582	1.3
120.05715	0.5
121.06482	6.5
121.10160	0.5
122.03643	7.0
123.04443	1.5
123.08060	1.3
127.03963	1.1
128.06204	0.5
129.06985	1.1
131.04930	19.4
133.06488	33.9
135.08051	11.4
135.11685	0.6
136.05264	0.8
137.05974	100.0
137.09529	2.6
138.06360	0.6
140.01114	0.5
143.04897	1.1
143.08527	0.8
144.05748	0.6
145.06476	8.3
145.10135	0.6
147.04413	1.4
147.08046	2.0
149.05995	1.8
149.09636	0.6
151.07545	12.0
157.06490	2.3
159.08072	0.8
159.11885	0.5
160.05255	0.7
162.06744	0.5
163.07541	51.5
163.11162	1.8
165.05557	0.5
165.09128	3.1
169.06468	0.4
171.08069	1.9
173.05992	0.7
174.99220	9.9
175.03961	3.1
175.07526	3.3
175.14853	0.5
177.07782	0.4
177.09035	1.9
180.57440	0.4
181.06703	0.6
187.07530	1.6
188.08298	0.5
189.09068	2.1
203.10596	1.9
205.04961	0.8
205.12218	2.1
207.08090	0.7
217.10086	1.0
217.23955	0.4
220.08795	0.7
235.07510	0.7
235.11124	2.0
243.06909	1.3
245.09627	1.7
248.08160	0.5
251.00052	1.6
253.08392	0.5
263.10635	3.9
277.08560	0.5
290.58435	0.4
291.19635	0.5
295.13242	13.9
309.11197	0.5
309.20599	0.4
312.13632	0.6
327.10730	3.5
327.15918	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	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02387	0.5
53.03939	0.5
55.01870	1.2
55.05494	0.8
65.03944	0.5
66.04743	0.5
67.05504	1.7
69.03422	1.0
69.07062	0.8
69.92096	2.2
77.01586	0.6
77.03950	0.5
79.05494	2.9
81.03391	1.3
81.07070	2.6
82.11691	0.5
83.08625	0.6
85.02911	0.5
91.05483	4.4
93.07040	1.4
94.04203	2.2
95.04980	1.0
95.07169	0.4
95.08615	2.1
97.02888	0.7
98.98470	80.1
99.08100	0.8
100.11275	0.6
103.05466	18.4
105.07032	9.6
107.04946	2.9
107.08605	0.9
109.02876	0.5
109.06511	3.2
109.10159	1.5
111.08084	0.4
113.36057	0.4
115.05463	1.3
116.99493	1.3
117.07054	2.6
119.04963	1.4
119.08578	1.1
120.05802	0.7
121.06509	6.6
121.10156	1.4
122.03648	6.4
123.04426	0.9
123.08054	1.8
123.11697	1.3
125.62954	0.5
128.06210	0.9
129.07016	1.0
131.04932	20.8
131.08553	0.8
133.06497	35.1
133.10136	0.8
135.08058	12.4
135.11731	0.7
136.05203	0.9
137.05983	100.0
143.04933	1.2
143.08568	0.5
145.06494	7.3
147.04485	0.8
147.08064	3.1
147.11674	0.8
149.05980	1.5
150.29951	0.4
151.07559	11.4
152.96437	0.5
155.06021	0.5
156.64250	0.5
157.06531	2.9
161.05984	0.6
161.13283	0.5
162.06784	1.1
162.52515	0.5
163.07547	57.1
165.09126	1.2
171.08035	0.9
173.06013	0.7
174.97734	0.6
174.99234	12.3
175.03973	1.1
175.07527	4.0
175.14645	0.5
177.09120	1.4
177.16393	1.9
187.07542	1.5
189.09111	2.2
203.10669	1.8
205.06732	0.5
207.08145	0.6
217.10159	0.9
220.08873	1.0
235.07561	0.7
235.11238	2.3
245.09615	1.2
250.99963	2.5
263.10706	4.4
277.08585	0.8
295.13287	14.6
312.13254	0.5
327.08609	0.8
327.12280	2.3
327.15878	11.8
327.28345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01880	4.8
55.05522	6.9
57.03434	4.0
57.07073	2.2
59.04990	1.5
61.02924	2.6
67.05507	6.6
68.19001	0.9
69.03435	9.6
69.07076	13.4
70.92207	1.8
71.05000	2.1
71.79694	0.9
79.05498	4.4
81.03413	3.0
81.07060	15.6
83.04972	2.4
83.08627	4.3
85.02908	4.0
85.06550	4.0
87.04475	3.7
91.03932	1.4
91.05497	3.2
93.07047	10.6
93.94592	0.9
95.04962	3.5
95.08616	19.9
97.02908	6.0
97.06539	1.7
97.10182	2.8
98.98473	100.0
99.04453	1.8
99.08103	24.8
105.07047	9.4
107.04956	1.2
107.08607	13.7
109.02850	0.9
109.06538	3.2
109.10196	8.1
111.04427	2.3
111.08083	12.5
111.11742	2.1
113.09647	3.0
115.03947	5.6
116.99457	1.3
117.06986	1.3
119.08594	13.4
121.06535	1.7
121.10158	11.2
123.04405	1.8
123.08064	2.4
123.11720	7.3
125.06066	1.0
125.09655	2.7
127.03916	1.6
129.06987	2.1
131.08574	4.5
133.04985	2.7
133.06509	1.9
133.10132	11.2
135.08070	3.6
135.11722	6.8
137.06001	3.5
137.09644	1.7
137.13277	2.6
139.11147	2.1
141.09152	1.1
142.07776	1.2
143.08553	1.8
145.10123	6.4
147.11684	5.3
149.09650	1.8
149.13283	4.0
151.07539	1.2
153.12827	1.3
156.09390	1.0
157.10173	3.8
159.11722	5.7
161.09619	1.5
161.13226	5.4
163.07635	1.2
163.11188	3.3
163.14845	10.0
165.09148	1.2
169.10146	2.0
171.11696	3.1
173.09648	1.4
173.13298	2.8
174.78778	1.0
174.99242	17.6
175.11089	1.0
175.14841	16.5
177.09218	1.5
177.12785	1.8
177.16408	7.7
181.15848	2.4
185.13274	2.7
187.11142	1.4
187.14857	5.0
189.16411	3.4
193.15878	2.3
197.13310	2.3
197.30316	1.1
201.16402	6.2
203.14336	1.6
215.14404	2.3
217.16039	1.5
219.17433	6.6
222.85344	1.2
225.16463	1.2
227.17972	1.8
233.15411	1.1
235.16971	1.3
237.16389	1.4
237.18526	2.0
243.17467	2.7
251.00107	3.2
252.66982	1.0
255.17464	3.2
261.18542	2.6
268.99039	1.0
273.18484	6.0
279.19705	1.9
286.93631	1.2
291.19617	9.0
291.26810	1.2
309.20642	12.5
309.27722	2.8
327.12283	3.8
327.21671	23.7
327.28830	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22181	0.8
55.01868	3.6
55.05508	5.0
57.03439	2.7
57.07049	1.2
59.05029	0.8
60.23439	0.8
61.02936	3.1
67.05512	4.9
69.03439	9.0
69.07072	7.4
69.32414	2.7
69.32841	4.0
71.04986	2.1
71.07570	1.0
79.05487	4.8
81.03420	1.4
81.07066	9.8
83.04981	2.6
83.08627	2.1
85.02913	6.6
85.06560	4.9
87.04503	4.4
91.03946	1.8
91.05508	4.9
93.07059	9.2
95.04973	2.9
95.08050	1.5
95.08614	17.1
97.02898	5.0
97.06557	1.3
97.10191	2.0
97.30508	0.8
98.21530	1.3
98.98479	100.0
99.04468	2.1
99.08105	21.8
105.07043	9.2
107.04970	1.4
107.08598	12.8
109.06545	3.1
109.10169	5.6
111.04453	2.5
111.08092	11.6
111.11720	1.0
113.09664	2.8
115.03922	4.4
116.99568	1.1
117.07018	2.5
119.04946	0.9
119.08588	12.7
121.06516	2.3
121.10153	9.7
123.04459	1.1
123.08070	2.3
123.11728	3.6
125.09621	1.6
127.03926	1.3
129.07040	1.4
131.08607	4.1
133.04982	3.1
133.06480	1.7
133.10144	11.7
135.08047	2.4
135.11714	6.2
137.06006	2.4
137.09628	2.1
137.13293	2.4
141.07010	1.2
141.09085	1.4
142.07811	0.9
143.08577	2.5
145.10144	6.7
147.08058	1.8
147.11719	5.2
149.09641	1.4
149.13252	2.1
151.07570	1.1
151.11215	1.4
151.51392	0.8
155.08543	1.6
157.10159	4.6
159.08095	1.2
159.11694	4.7
161.09668	1.7
161.13310	5.1
163.07603	1.8
163.11205	2.6
163.14841	9.9
165.07043	1.1
165.09065	1.6
169.10168	1.6
171.11726	2.1
173.09744	1.2
173.13289	3.0
174.97745	1.1
174.99242	16.6
175.03900	0.8
175.11246	1.8
175.14848	13.7
175.43225	0.8
177.09207	1.0
177.12871	1.3
177.16386	5.9
179.14268	0.8
181.15894	2.1
182.10812	0.9
183.11789	1.1
185.13280	1.8
187.11195	1.2
187.14815	4.9
189.12723	1.1
189.16402	3.3
191.14369	1.4
191.17932	1.2
193.15906	2.6
195.10124	0.8
195.11769	1.1
197.13271	3.1
199.11243	1.3
201.16411	4.6
203.06934	1.0
203.14325	1.3
205.15948	1.5
213.16397	1.5
215.14270	2.6
217.12193	1.3
217.15985	1.0
219.17458	5.5
220.08595	0.9
225.16420	1.1
231.12344	1.5
235.16881	1.4
236.75536	0.9
237.18607	1.6
243.12230	0.9
243.17419	2.3
251.00018	3.4
253.14507	1.0
255.17453	4.5
261.18488	2.4
267.10355	1.4
269.08154	0.8
273.18555	6.6
277.08545	1.0
279.19647	1.5
291.19519	7.7
302.41919	1.0
309.20605	11.1
327.12363	2.9
327.21677	22.3
339.55301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.8
55.01862	0.8
55.05508	4.7
57.03394	0.8
57.07074	2.0
67.05511	9.7
69.03444	0.7
69.07076	5.8
70.97455	1.5
71.04983	1.1
77.03952	1.0
79.05503	7.4
81.03419	2.1
81.07064	11.1
83.04954	1.4
83.08623	2.3
85.06517	1.1
91.05493	13.4
93.07055	23.0
95.04976	26.5
95.08617	16.6
97.06548	7.6
98.98473	100.0
103.05488	1.2
105.04508	1.6
105.07037	19.4
107.08598	13.4
109.06523	4.0
109.10152	7.7
111.08038	0.8
115.05449	1.5
116.99503	1.0
117.07034	5.3
119.08585	21.0
121.06507	5.0
121.07903	0.8
121.10149	12.1
123.08089	4.3
123.11703	2.8
126.59626	0.8
128.06180	1.2
129.06984	2.8
130.07838	1.5
131.08565	11.2
133.06470	0.9
133.10152	15.3
135.08075	4.2
135.11694	3.4
137.09612	2.0
141.06995	1.4
142.07794	3.3
143.08583	6.4
144.09351	2.6
145.10141	14.3
147.07982	1.1
147.11682	5.3
149.09630	1.6
149.13254	1.2
151.11166	0.8
152.06241	6.5
153.07014	5.5
155.08531	1.7
156.09373	2.2
157.10143	10.7
158.10945	1.3
159.08112	1.7
159.10464	1.1
159.11708	12.1
161.09586	3.9
161.13266	1.9
163.11243	0.9
165.09178	1.2
167.08569	1.2
168.05762	2.1
169.10136	4.3
170.10944	2.0
171.11691	4.3
172.94281	1.0
173.13281	5.6
174.99246	15.3
175.11227	1.3
175.14818	5.6
179.08531	1.1
181.10167	1.3
182.10966	1.3
183.11714	3.9
185.13258	2.5
187.11142	2.5
187.14821	4.0
189.16414	0.9
194.10948	1.0
195.11702	1.8
196.12564	0.8
197.13278	3.5
199.14836	3.5
201.16521	1.2
205.15874	1.0
209.13234	2.1
211.14795	2.7
213.16301	1.8
215.02589	1.8
215.14388	1.3
217.15953	1.6
223.14795	1.2
225.16388	1.8
227.14372	0.9
228.09383	1.6
233.03621	7.4
235.14862	0.9
239.18040	1.1
251.00032	3.2
251.04738	3.8
253.15871	1.4
271.20755	0.9
291.20950	0.9
309.22104	3.3
309.89166	0.8
327.07834	29.1
327.13837	1.1
327.23135	5.5
328.08014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19016	0.7
52.76600	0.6
53.03946	2.5
55.05518	4.7
56.16783	0.7
56.78360	0.8
57.03434	1.1
57.07071	2.7
59.04993	1.1
65.03937	0.9
66.74285	0.7
67.05173	1.1
67.05506	12.7
69.03424	1.2
69.07078	5.0
70.92201	1.4
71.04995	1.7
74.95896	0.8
79.05494	8.9
81.03420	1.5
81.07061	12.7
83.05000	1.2
83.08620	2.4
85.06546	2.2
86.64381	0.7
91.05483	15.0
91.06017	1.3
93.07048	30.9
95.04974	27.0
95.08613	22.7
97.06538	8.4
97.10207	1.1
97.20336	0.7
98.98472	100.0
103.05432	1.0
105.07040	23.5
106.49763	0.7
107.08611	14.2
109.06540	4.2
109.10160	8.4
115.05460	1.7
116.99504	0.9
117.07021	7.4
119.07716	1.2
119.08586	23.7
121.06522	6.1
121.10144	14.6
121.98108	0.8
123.08086	4.2
123.11717	2.8
124.15112	0.7
128.06209	2.0
129.07022	4.1
130.07785	1.6
131.08597	10.5
133.06482	0.8
133.10135	18.0
135.08058	4.1
135.11699	5.3
137.09650	2.0
140.37122	0.7
141.06985	1.1
142.07811	4.4
143.08537	6.9
144.09332	2.6
145.10126	13.2
147.08040	1.1
147.11682	5.2
149.09634	2.1
151.11285	0.9
154.07677	1.3
155.08575	2.3
156.09369	3.1
157.10143	15.3
158.10912	1.4
159.08063	2.0
159.11700	14.6
160.12338	0.9
161.09625	7.0
161.13318	2.3
163.11189	1.5
167.91342	0.7
168.09468	1.1
169.10080	5.8
170.10924	2.0
171.11725	5.9
172.12474	1.4
173.09605	1.7
173.13321	6.9
174.99258	15.3
175.11180	1.3
175.14822	8.5
177.12758	1.0
179.08574	1.1
181.10114	2.5
182.10957	1.4
183.11751	4.9
185.13327	2.6
187.11188	3.2
187.14848	6.5
189.12785	1.0
193.10143	1.1
195.11722	3.0
197.13297	3.8
199.14880	3.6
201.12627	0.7
201.16342	2.2
205.15897	0.9
207.11687	1.6
209.13385	3.6
211.14940	3.7
213.16446	1.7
215.14418	1.3
217.15939	2.5
220.12579	1.0
221.13159	1.5
223.14856	0.9
225.16417	2.5
229.16075	1.0
235.14891	2.8
239.17885	1.1
249.16432	1.3
251.00111	3.4
253.15895	1.9
291.21109	1.5
293.21063	0.9
309.22174	2.8
327.08057	2.4
327.23166	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	327.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01884	1.0
55.05516	4.7
56.96563	1.8
57.07076	3.2
57.40776	0.5
59.05002	0.6
67.05510	8.1
69.03427	1.5
69.07074	13.5
70.04337	1.5
71.04996	1.7
71.08633	1.6
71.54381	0.4
79.05498	4.1
81.03419	1.2
81.07066	26.3
83.04967	0.8
83.08627	6.5
85.06552	4.6
91.05485	2.3
93.07053	9.1
95.04971	1.1
95.08617	18.8
97.02913	0.8
97.06543	1.7
97.10182	1.7
98.21452	0.6
98.98477	100.0
99.04494	0.5
99.08115	2.5
100.11265	1.4
103.05475	0.8
105.07059	4.6
107.08606	9.0
109.02887	3.2
109.06533	0.9
109.10169	10.6
111.08091	6.1
111.11715	2.6
112.18838	0.5
116.99514	1.6
119.08587	2.7
121.10149	5.7
123.08072	0.7
123.11732	8.2
125.09657	0.6
125.13247	0.7
128.98639	0.4
131.04889	1.0
133.06503	1.8
133.10143	1.5
135.08041	0.5
135.11676	4.2
137.06001	6.6
137.09608	2.1
137.13263	5.7
139.03911	1.3
139.11208	1.3
140.01103	0.5
145.06506	0.6
145.10146	0.7
147.04477	0.6
147.08121	0.6
147.11723	2.7
149.13271	5.1
151.07515	0.7
151.14847	0.7
153.12788	2.6
155.14290	2.2
159.11719	0.5
161.05983	0.5
161.13254	1.2
163.07539	2.3
163.14832	1.5
165.05551	0.5
165.09146	1.5
165.12727	2.2
171.11758	0.5
171.13785	0.6
174.99254	14.0
175.07607	0.9
175.14886	0.8
177.16405	1.7
183.13766	0.8
191.17998	0.7
201.14771	0.5
205.19621	0.5
207.08058	0.6
209.18939	0.6
217.19580	0.7
217.86124	0.5
234.06693	0.5
249.09143	0.7
251.00081	3.6
255.20610	0.4
261.04309	1.1
261.25848	0.6
273.25644	1.1
277.08612	0.9
279.05554	0.9
279.26913	1.1
291.26801	3.0
293.03320	0.7
295.09818	0.7
295.13181	0.6
297.07077	0.4
297.28012	0.5
305.06833	2.1
309.10678	0.5
309.27841	2.9
323.08023	1.5
327.08212	0.7
327.12131	2.0
327.28860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
56.96558	1.5
57.03436	2.7
59.05008	37.7
59.13150	0.7
69.03439	2.2
69.65977	2.5
69.66385	1.6
71.04976	0.7
72.08158	0.8
73.02923	1.4
73.06564	75.8
81.03420	1.6
83.04995	0.8
85.02917	8.3
86.09692	1.8
94.96218	0.8
95.04990	0.7
97.02876	3.2
98.98479	100.0
99.98857	1.0
100.98931	0.7
105.07034	1.0
106.06573	1.3
107.08649	0.8
109.02914	1.8
110.06061	1.6
116.07104	0.9
116.99480	1.5
117.09136	9.5
120.08138	0.9
124.07724	0.7
127.03941	1.5
131.10677	7.8
137.05997	2.1
138.09149	1.9
148.04005	0.8
148.07620	5.0
149.06047	0.8
149.11746	54.6
151.03979	1.4
166.05013	1.7
166.08650	3.3
172.94418	1.0
174.99257	9.5
175.99655	2.0
176.07091	2.5
176.99004	3.4
178.32434	0.7
186.59540	0.7
190.08656	15.4
190.95462	0.8
191.09453	1.1
202.10831	1.4
206.00253	2.0
207.00981	1.3
207.13870	1.9
232.96492	1.0
238.03012	1.0
250.99977	1.5
252.99883	1.5
278.47443	0.8
310.12430	0.8
312.12512	1.0
328.06165	2.2
328.15573	22.9
329.11990	1.7
351.16306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05518	5.0
56.96566	2.0
57.03434	2.1
57.07090	0.9
65.03934	0.6
65.04400	0.6
67.05511	12.0
69.03415	0.7
69.07079	6.7
71.04999	1.5
71.53386	1.3
72.10242	0.6
79.05500	8.7
81.03426	1.8
81.07066	15.9
83.04991	1.9
83.08627	2.4
85.06536	1.4
91.05486	5.5
93.07057	9.6
95.04982	2.4
95.08610	7.3
97.06522	2.6
97.10197	1.5
98.09666	0.8
98.98476	100.0
105.07043	6.9
107.04959	0.9
107.08607	6.0
109.06510	0.7
109.10159	4.3
111.08092	1.9
116.99550	1.9
117.07018	1.8
119.08590	6.2
121.10144	4.2
123.08077	2.2
123.11746	1.4
125.09641	1.5
129.07002	0.9
130.93318	2.0
131.08585	3.3
133.10156	3.9
135.08052	1.4
135.11702	3.9
137.06006	1.0
137.09641	1.7
139.11189	0.8
140.01097	1.6
140.12950	0.7
145.10150	2.3
147.11716	3.7
148.07568	1.0
149.09659	1.9
149.13303	1.2
159.11752	1.9
163.11264	1.6
167.61801	0.7
172.94368	7.5
173.13313	1.1
174.99246	9.5
175.99622	1.9
176.07112	1.2
176.98970	4.0
181.12227	4.4
185.13226	1.0
190.95421	9.4
191.00136	0.7
193.12300	0.9
195.13846	2.0
208.96561	2.0
213.96945	0.9
214.95485	2.0
229.07542	1.5
232.96490	10.5
232.98660	1.1
239.17776	0.7
250.97552	4.4
250.99968	1.4
252.99835	0.9
255.98061	1.3
257.18924	1.8
262.93866	1.8
275.20035	6.6
280.95013	1.5
283.08484	0.9
285.10519	0.9
293.21201	2.1
312.12390	3.0
324.96814	0.8
328.08945	0.9
328.15494	10.0
328.18918	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05510	29.1
56.96575	0.9
57.03434	1.5
58.87297	0.8
67.05500	8.9
68.60084	0.9
69.03441	4.3
69.07063	9.5
69.34670	0.9
71.53983	1.7
79.05493	15.4
81.07052	11.2
81.24160	0.9
83.04974	2.4
83.08620	20.6
85.06560	1.2
91.05482	5.6
93.07036	6.7
95.08612	4.4
97.06550	0.9
97.10173	42.6
98.98466	100.0
105.07040	7.8
107.04924	1.3
107.08591	48.6
109.06523	0.9
109.10141	1.8
111.08054	1.5
116.99529	1.4
117.07045	1.2
119.08585	4.4
119.61700	0.8
121.10160	1.5
124.11282	0.9
125.09624	36.0
130.93332	2.2
131.08531	1.7
133.10123	5.7
135.08061	4.3
135.11679	2.1
137.05983	2.3
138.06364	1.8
138.14850	0.9
143.10655	1.4
145.10110	6.3
147.11679	3.2
148.07581	1.7
149.09601	3.1
151.07573	2.5
152.07884	1.9
153.09122	2.3
156.12303	1.0
157.09985	1.1
159.11668	1.8
161.13298	1.2
171.10196	5.8
171.11482	1.3
172.94321	4.9
173.13182	1.3
174.99239	11.1
175.99576	2.5
176.07062	4.9
176.98946	4.2
178.08620	1.2
179.14323	1.0
181.12225	1.8
189.11220	63.4
190.95389	5.9
232.96432	5.5
239.17905	2.3
247.20566	1.5
250.97598	2.5
252.99661	1.0
257.19012	6.3
262.94138	1.3
275.20062	49.3
280.94986	1.4
293.21103	5.7
298.10703	1.0
312.12314	5.6
313.13153	1.2
328.15518	18.9
328.19122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05518	5.0
56.96566	2.0
57.03434	2.1
57.07090	0.9
65.03934	0.6
65.04400	0.6
67.05511	12.0
69.03415	0.7
69.07079	6.7
71.04999	1.5
71.53386	1.3
72.10242	0.6
79.05500	8.7
81.03426	1.8
81.07066	15.9
83.04991	1.9
83.08627	2.4
85.06536	1.4
91.05486	5.5
93.07057	9.6
95.04982	2.4
95.08610	7.3
97.06522	2.6
97.10197	1.5
98.09666	0.8
98.98476	100.0
105.07043	6.9
107.04959	0.9
107.08607	6.0
109.06510	0.7
109.10159	4.3
111.08092	1.9
116.99550	1.9
117.07018	1.8
119.08590	6.2
121.10144	4.2
123.08077	2.2
123.11746	1.4
125.09641	1.5
129.07002	0.9
130.93318	2.0
131.08585	3.3
133.10156	3.9
135.08052	1.4
135.11702	3.9
137.06006	1.0
137.09641	1.7
139.11189	0.8
140.01097	1.6
140.12950	0.7
145.10150	2.3
147.11716	3.7
148.07568	1.0
149.09659	1.9
149.13303	1.2
159.11752	1.9
163.11264	1.6
167.61801	0.7
172.94368	7.5
173.13313	1.1
174.99246	9.5
175.99622	1.9
176.07112	1.2
176.98970	4.0
181.12227	4.4
185.13226	1.0
190.95421	9.4
191.00136	0.7
193.12300	0.9
195.13846	2.0
208.96561	2.0
213.96945	0.9
214.95485	2.0
229.07542	1.5
232.96490	10.5
232.98660	1.1
239.17776	0.7
250.97552	4.4
250.99968	1.4
252.99835	0.9
255.98061	1.3
257.18924	1.8
262.93866	1.8
275.20035	6.6
280.95013	1.5
283.08484	0.9
285.10519	0.9
293.21201	2.1
312.12390	3.0
324.96814	0.8
328.08945	0.9
328.15494	10.0
328.18918	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	329.1598
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.53212	0.9
53.25865	1.0
54.09882	0.9
55.01878	1.4
55.05512	4.9
57.03441	2.7
57.07082	1.4
59.04996	4.2
61.02942	2.0
66.31364	1.0
67.05491	1.4
69.03440	8.2
69.07069	2.2
69.25868	3.0
69.26285	5.4
71.50873	0.9
79.05515	4.7
81.03461	1.9
81.07082	5.1
83.04990	5.3
83.08633	12.2
85.02914	19.4
91.05495	3.8
93.07076	6.0
95.05032	1.1
95.08615	2.3
97.02895	6.1
98.21538	1.9
98.98482	100.0
105.07050	3.0
107.04958	2.0
107.08611	12.1
109.02976	1.0
109.06548	1.3
111.04460	49.9
119.08582	1.6
121.06551	1.7
121.10168	16.2
123.04435	1.5
123.08105	2.9
125.09644	1.5
127.03966	3.5
131.08611	1.3
137.09644	6.0
139.11188	3.4
145.04941	1.9
149.09668	5.2
167.10706	91.2
174.99254	11.6
176.98975	4.1
209.75465	1.2
213.52406	1.0
252.99774	1.6
283.09558	1.0
309.56680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
57.03438	25.7
58.06596	1.2
61.02933	8.8
65.00459	1.1
69.03436	20.0
71.01368	1.7
73.02921	59.1
81.03417	4.2
81.07030	2.1
83.05007	1.5
85.02909	46.8
85.03429	2.5
87.04459	1.9
91.03967	1.6
91.05495	4.2
93.07062	1.6
94.07335	1.6
95.08615	2.5
96.08911	1.2
97.02895	36.3
98.20733	3.2
98.30779	1.1
98.98469	91.2
99.04433	1.5
103.02599	1.2
105.07024	2.4
107.04942	2.4
109.02880	4.4
115.03168	2.3
115.03937	32.4
115.05443	4.9
119.08587	1.5
121.06517	1.2
121.10053	1.5
127.03933	17.8
133.04953	12.3
137.05989	7.7
143.04936	20.0
144.06619	1.6
145.04953	26.1
145.06067	0.9
147.04349	1.3
150.07608	6.0
151.07565	26.3
159.07791	1.4
160.05179	1.8
161.06010	1.6
163.06129	18.0
165.07114	1.6
174.99246	3.8
175.04001	1.4
175.07556	12.3
175.99615	2.1
176.98883	3.5
177.07770	1.4
178.08640	100.0
189.09050	1.3
192.10175	4.2
197.09892	1.3
198.09744	3.0
203.03453	1.8
205.06944	1.7
208.05148	9.2
211.03978	1.3
223.06023	4.8
231.02922	1.8
236.04752	2.0
240.04095	1.6
241.01213	2.0
241.07103	5.6
252.99780	2.2
254.05681	2.2
259.02335	3.6
259.08041	6.2
267.10205	1.9
269.08020	9.6
287.01904	5.3
294.12195	1.3
295.10260	10.8
312.12686	1.5
313.14185	8.4
315.01334	13.7
315.08527	15.9
316.05630	1.8
329.02737	1.8
330.03729	27.8
330.10809	20.8
330.17084	39.5
330.21176	2.7
331.11737	5.3
331.15286	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.129
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01873	0.8
55.05496	0.8
56.96570	0.9
59.25710	0.4
60.11855	0.5
67.05496	0.7
69.03438	2.2
69.07058	0.9
79.05485	0.7
81.07059	1.5
81.48345	0.5
83.08607	0.6
85.02905	1.1
87.25000	0.6
91.05478	2.1
93.07057	1.8
95.05027	0.7
95.08597	1.2
97.02901	1.3
98.97593	3.9
98.98470	39.0
99.04492	0.5
100.98885	0.9
103.05459	0.6
105.07032	1.1
107.04971	0.8
107.08604	2.1
109.02905	0.9
109.06528	0.8
116.98679	0.7
119.04935	1.5
120.08123	0.5
121.06525	0.5
121.10146	1.6
122.03640	0.8
123.04359	0.7
127.03923	0.7
128.06174	0.6
129.07014	0.7
131.04903	0.9
137.05984	5.4
145.04849	0.6
149.05945	0.7
150.06770	0.7
151.03903	1.9
151.07549	5.0
151.11189	0.9
153.06995	0.8
157.06538	0.5
158.99686	1.4
161.05998	2.7
161.09648	0.7
162.07825	0.6
163.07573	2.1
165.07014	0.7
165.09125	0.6
167.07120	1.2
173.01192	0.6
173.14746	0.6
174.06839	0.7
174.99232	2.1
175.07610	0.7
176.98967	3.3
177.00487	0.6
177.16406	1.2
178.08702	1.8
179.08980	2.0
181.06412	0.9
189.09088	2.2
195.08122	1.2
196.10057	0.9
198.09262	0.8
207.09656	4.4
211.12337	1.1
219.01791	1.1
225.10191	1.7
226.11060	1.7
227.10612	1.0
238.11011	0.8
239.11795	34.3
241.13371	0.6
253.08661	0.9
253.12187	0.9
254.10504	0.7
255.10208	1.3
257.12799	0.8
266.10532	3.9
267.11295	53.5
268.11874	1.2
285.12357	4.6
287.12775	3.0
295.10770	28.7
296.09076	1.1
299.09256	0.9
313.11786	28.5
316.09180	0.8
331.12900	100.0
332.13287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05509	1.3
56.96567	0.8
57.03448	1.0
57.07062	1.0
59.33046	0.9
67.05514	2.0
69.03452	2.3
70.02238	1.5
70.02660	2.9
71.05000	1.4
79.05485	1.8
81.07050	3.2
85.02933	2.2
85.06539	2.7
91.05496	10.8
93.07042	1.1
93.19582	0.9
95.04986	3.4
97.02970	1.3
98.98479	40.6
103.05462	3.2
105.07047	3.8
106.74729	0.8
107.04979	10.6
107.08577	1.1
109.06522	3.3
109.10172	1.8
114.05526	1.3
115.05501	1.8
117.07034	1.7
119.04977	5.8
121.06535	3.6
122.03661	3.6
123.04366	1.0
123.11738	2.8
124.07611	2.2
127.03957	1.7
128.06241	2.4
129.07013	5.6
131.04945	3.7
133.02850	1.5
135.04443	1.9
135.08078	3.4
136.05115	1.3
137.05991	29.4
137.09616	1.4
139.11238	1.4
145.06506	1.5
146.07286	1.1
148.05267	1.3
149.05992	7.1
150.06772	1.7
151.04016	1.9
151.07568	30.3
151.11180	1.9
153.07092	1.0
157.06514	4.5
158.99532	0.9
161.05995	22.8
161.09615	5.8
163.04820	0.9
163.07559	14.3
165.07030	3.7
165.09169	2.1
166.07837	1.5
167.07312	0.9
167.08537	5.3
169.08417	8.1
169.09789	1.3
169.12257	18.4
174.06786	2.8
174.99284	2.0
175.07552	1.8
176.98981	4.9
178.07634	1.1
179.09021	1.2
181.08685	2.0
182.07327	1.1
185.04243	9.0
189.09143	20.5
189.10776	1.7
193.06528	2.6
193.10162	2.0
194.07396	1.6
195.08096	9.1
197.05988	1.9
203.05315	5.8
207.10161	14.8
209.06030	1.0
210.06824	2.4
211.07578	2.3
212.08380	1.5
221.06059	2.9
221.09593	3.3
223.07582	2.9
224.08315	1.5
225.09181	2.7
227.07240	1.2
227.10701	9.5
237.05573	1.6
237.09326	1.5
238.06229	1.7
241.08711	0.9
244.28104	0.8
249.09105	2.6
253.08653	3.2
253.12198	5.0
255.10194	9.2
267.10260	2.8
269.08133	1.3
269.11923	0.9
272.10593	2.0
281.11844	1.9
285.08310	1.5
285.11157	7.4
287.12793	15.2
313.14221	4.4
331.13690	100.0
331.17169	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
54.49060	1.4
55.05492	2.2
55.85814	1.4
56.96545	1.5
57.03445	1.5
57.20216	1.2
67.05499	1.5
69.03440	2.1
70.78259	1.4
70.78600	3.8
79.05489	3.4
81.03394	1.7
81.07041	5.7
83.04982	1.3
85.02885	3.8
91.05486	28.5
93.07027	3.3
94.04179	3.0
95.04961	5.4
95.08590	4.6
97.02872	2.4
97.10163	1.5
98.97578	9.8
98.98470	67.3
100.98849	2.1
103.05441	4.9
105.07017	4.3
107.04938	8.4
107.08578	4.4
109.02834	2.2
109.06498	5.6
109.10153	1.8
111.04449	2.4
112.99107	2.2
115.05466	1.7
116.98603	3.2
117.06976	2.6
119.04952	18.9
121.06519	8.1
121.10149	7.6
122.03693	6.8
122.36013	1.6
123.08060	2.1
127.03877	2.7
128.06183	4.7
129.07004	14.7
131.04910	6.3
131.08580	1.6
133.06462	2.9
133.10114	1.8
135.08043	6.1
136.05168	3.8
137.05981	86.8
143.04886	2.2
145.06476	3.3
146.07190	1.7
147.08025	2.1
148.05128	1.3
149.05986	13.9
151.03908	5.8
151.07545	100.0
152.06168	3.4
153.06934	2.3
157.06493	10.1
158.99667	8.2
161.05992	14.4
161.09622	3.4
163.07544	22.3
165.07037	9.9
165.09105	4.8
166.07764	2.8
167.07234	2.1
167.08571	16.2
169.06458	2.4
173.01244	3.8
174.06740	6.0
174.99187	2.8
175.07520	5.7
176.98906	6.8
177.00554	2.0
177.07013	1.8
177.09071	3.6
177.16351	3.8
178.07784	4.5
179.08763	4.3
181.06502	5.0
182.07271	3.8
183.08119	1.8
185.06059	1.4
187.07594	1.5
189.09099	34.7
193.06541	8.6
193.08215	1.6
193.10139	5.8
194.07283	2.5
195.08076	24.7
196.08759	2.0
197.05951	5.1
197.09537	1.7
199.07594	1.4
203.08521	3.2
205.06389	1.8
206.07140	2.0
207.09702	13.7
209.05925	2.5
209.09615	3.6
210.06784	10.4
211.07542	4.3
212.08264	4.5
219.01678	2.9
220.08832	1.7
221.06056	8.9
221.09625	12.7
222.06738	1.7
223.07558	10.8
224.08311	3.0
225.05536	2.3
225.09067	9.1
227.06999	3.2
227.10674	29.0
237.09059	3.6
238.06189	5.6
239.07018	2.1
239.11806	6.1
240.07799	3.9
241.08569	2.6
244.99620	2.1
249.09058	4.5
250.09689	1.8
251.07112	2.3
253.08618	15.6
253.12209	17.3
255.06346	2.4
255.07257	1.9
255.10164	28.9
259.13354	1.7
266.09601	2.5
267.11407	9.8
269.08066	6.8
269.11728	2.4
270.08698	5.0
271.09592	2.6
272.10468	3.8
281.11765	6.9
285.08044	2.6
285.11148	19.0
287.12787	55.5
295.10815	6.6
298.12286	1.7
301.14359	2.8
307.52417	1.6
313.12082	3.2
313.14645	16.6
316.09042	2.8
331.12219	24.6
331.15796	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	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.58479	2.1
58.87032	2.4
70.81767	3.3
79.05482	2.6
81.07034	2.1
82.58788	2.0
91.05489	29.1
93.06995	3.0
95.04971	4.5
98.98471	35.0
103.05466	6.9
105.07046	4.6
107.04951	6.8
109.06493	4.4
115.05394	2.1
117.07016	2.4
119.04960	19.7
121.06493	4.7
122.03616	4.9
128.06212	2.5
129.07005	14.4
131.04927	3.2
131.08565	2.5
133.06522	2.8
135.08029	6.2
137.05981	77.4
145.06480	4.1
147.08000	2.5
149.05968	13.6
151.03894	3.4
151.07549	100.0
152.06207	3.7
157.06465	12.4
161.05966	17.6
161.09622	3.3
163.07564	25.9
165.07024	12.1
165.09137	4.5
166.07805	2.7
167.08560	16.7
168.05727	2.1
174.06807	5.0
175.07515	4.5
176.98952	3.4
177.09085	3.2
178.07684	5.1
179.08604	3.8
181.06451	4.6
181.10199	2.2
182.07236	3.8
189.09123	42.6
193.06522	8.0
193.10130	7.1
195.08067	25.1
197.05980	5.4
207.10196	6.7
209.05992	2.0
210.06763	9.5
211.07529	3.9
212.08322	4.9
221.05980	8.8
221.09660	9.3
223.07639	11.1
224.08391	4.1
225.09123	10.2
227.07141	2.6
227.10683	27.7
237.09117	2.6
238.06258	4.9
240.07693	3.1
249.09000	5.3
253.08620	11.9
253.12190	12.4
255.10187	33.0
259.13272	2.1
267.10190	4.8
269.08038	5.6
269.11761	4.5
270.08881	3.1
281.11649	5.5
285.11230	21.8
287.12796	58.4
301.14331	2.6
313.14395	19.8
331.12970	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
56.07357	1.1
67.05502	1.5
69.03436	1.3
69.55459	4.4
69.55865	2.5
79.05482	3.1
81.07050	3.7
91.05495	28.3
93.07054	2.5
94.04203	2.4
95.04973	7.4
98.98485	25.0
99.93892	1.1
103.05448	4.2
105.07018	4.4
107.04963	7.0
107.08634	1.5
109.06510	3.9
111.08101	1.1
115.05432	1.9
117.06978	2.1
119.04968	18.0
119.08528	1.3
121.06522	6.2
122.03642	7.4
123.08039	1.5
125.05973	1.2
128.06248	4.5
129.07034	14.2
131.04924	3.3
131.08568	2.0
133.06477	2.6
133.10213	1.1
135.08083	6.9
136.05199	3.6
137.05992	80.3
139.07457	1.5
143.04964	2.2
145.06485	3.4
146.03668	1.4
147.07982	1.3
149.05989	11.3
149.09737	1.1
151.03926	4.8
151.07564	100.0
152.06190	4.4
153.06969	2.1
157.06511	10.9
158.07266	1.2
159.04430	1.2
161.06000	14.4
161.09625	3.9
163.07552	20.7
165.06985	11.6
165.09123	4.4
166.07681	1.6
167.07066	3.5
167.08588	16.7
169.06474	4.0
174.06786	5.0
175.07573	4.5
176.98918	2.6
177.06956	1.5
177.09103	3.3
178.07777	4.7
179.08578	2.1
181.06424	3.9
182.07300	5.0
183.08087	2.2
184.08833	2.5
187.07706	1.4
189.09135	33.0
191.08527	1.8
192.09377	2.3
193.06485	7.0
193.10208	7.8
194.07262	3.0
195.06326	1.6
195.08075	25.4
196.08766	2.3
197.05988	5.6
197.09636	1.7
199.07625	1.2
200.87598	1.2
202.07806	1.6
203.08589	3.0
205.06433	1.5
206.07257	2.0
207.08116	2.2
207.10155	6.7
209.05962	3.2
209.09605	3.6
210.06783	8.2
211.07574	3.0
212.08333	4.2
213.05426	1.1
220.08974	1.9
221.06046	9.3
221.09550	11.2
223.07556	11.7
224.08311	5.1
225.01842	1.7
225.05553	2.3
225.09103	9.3
227.07150	2.1
227.10678	29.8
228.00471	2.2
234.06763	2.0
237.05547	2.1
237.09100	3.4
238.06271	5.1
238.09900	1.7
239.07100	1.9
240.07983	3.4
241.08601	2.4
241.12323	1.4
249.09100	8.0
251.07097	1.7
252.07831	1.6
253.01450	2.6
253.08627	15.7
253.12242	18.2
255.06491	2.1
255.10202	32.1
267.10077	6.4
269.08160	3.6
269.11597	2.6
270.08777	2.7
271.02411	4.7
272.10468	2.8
281.11819	7.1
283.99503	2.5
284.10306	1.7
285.11206	21.1
287.12784	54.2
298.12006	1.6
299.01804	13.3
299.04813	1.7
299.12579	1.5
300.99780	3.9
301.14462	1.7
311.09616	2.7
313.11053	1.5
313.14392	19.3
316.02216	7.9
331.04535	30.7
331.11862	4.7
331.15225	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	331.1543
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03956	1.1
55.01866	1.2
56.05267	1.0
65.03953	1.4
69.03434	1.3
70.54217	3.4
74.57396	1.1
79.05495	2.7
81.07066	4.6
85.02905	2.0
91.05489	30.3
93.07055	1.3
94.04196	2.4
95.04984	6.4
95.08614	1.7
98.98479	37.5
100.98917	1.4
103.05482	5.0
105.07050	5.2
107.04965	5.9
107.08610	1.4
109.06499	5.2
111.04447	1.7
115.05451	1.1
117.06994	1.3
119.04955	17.9
121.02879	1.2
121.06513	7.7
122.03667	7.3
123.04422	2.4
123.08041	2.0
123.25089	1.2
127.03903	1.1
128.06235	3.4
129.07011	13.5
131.04971	6.4
131.08600	2.9
133.02872	1.4
133.06519	2.4
135.08073	7.1
136.05219	3.7
137.05995	86.8
143.04913	1.4
145.06500	4.2
146.03645	2.2
146.07271	1.2
147.04449	1.9
147.08075	1.4
148.05219	2.4
149.05995	11.2
151.03911	4.3
151.07562	100.0
152.06216	2.9
153.06978	3.3
157.06505	13.9
158.07225	1.0
161.06010	13.6
161.09628	3.0
163.06291	1.8
163.07568	22.4
165.05646	1.2
165.07014	11.0
165.09140	5.7
166.07809	2.6
167.07166	1.6
167.08560	18.5
169.06500	1.8
169.07773	1.3
174.06790	6.0
174.99257	1.7
175.07587	4.7
176.98921	3.6
177.07024	3.1
177.09096	3.1
178.07732	6.6
179.08591	2.7
181.06476	5.1
181.10094	1.3
182.07265	4.5
183.08086	1.6
187.07570	1.2
189.09125	37.4
191.08586	1.4
192.09435	2.0
193.06541	8.2
193.10147	7.4
194.07249	4.0
195.05443	1.9
195.08096	26.1
196.05098	1.6
196.08859	2.7
197.05872	5.1
197.09738	2.3
199.07608	1.5
202.07793	1.4
203.08601	3.1
206.07443	1.0
207.08113	3.4
207.10204	5.7
209.05910	2.5
209.09654	4.6
210.06818	8.4
211.07483	5.4
212.08383	4.8
213.09029	1.4
219.07982	1.8
220.08820	2.2
221.05965	8.2
221.09584	12.1
222.06789	1.9
223.07521	14.4
224.08299	5.1
225.05453	2.1
225.09117	13.0
227.07013	4.4
227.10690	28.7
231.07997	1.3
234.06871	1.3
235.07542	1.9
237.08984	2.1
238.06247	4.7
238.09807	2.2
239.07207	1.0
239.10712	1.3
240.07890	3.4
241.08560	3.4
241.12190	1.2
243.10161	1.3
249.09186	5.2
251.07179	1.3
252.07884	2.8
253.08629	13.6
253.12256	16.7
254.09288	1.1
255.06493	2.2
255.10213	32.0
259.13284	1.2
267.10159	3.9
269.08087	4.4
269.11673	3.3
270.08777	2.3
271.07129	1.8
272.10434	5.0
281.11755	6.6
284.10403	2.5
285.08188	2.2
285.11264	22.4
287.12805	61.4
288.13120	1.5
295.07333	1.9
299.12646	1.3
301.14395	2.2
313.08115	4.3
313.14294	18.0
316.09125	1.3
331.08514	2.3
331.11710	10.8
331.15451	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01876	1.8
59.78428	1.4
65.03932	1.9
67.05502	3.3
69.03435	3.5
69.42734	6.4
69.43135	3.7
70.72538	1.5
71.04974	1.9
79.05493	6.7
81.03416	2.0
81.07054	5.3
85.02899	5.6
85.06534	3.7
86.62818	1.6
91.05484	24.1
93.07038	1.9
94.04162	1.8
95.04960	5.3
95.08604	1.8
96.87232	1.5
98.20708	2.9
98.97759	2.8
98.98470	52.9
98.99125	2.9
103.05462	5.6
105.07038	5.1
107.04292	2.1
107.04971	24.5
109.06512	6.3
109.10184	6.6
113.06020	1.4
114.21389	1.6
115.05451	3.3
117.07005	2.3
119.04956	13.3
121.06506	9.0
122.03632	6.4
123.11683	5.0
127.03976	1.6
128.06227	4.5
129.07004	10.9
131.04915	9.9
131.08563	2.2
133.02843	2.6
133.06465	2.7
135.08061	8.8
136.05174	3.1
137.05986	67.5
139.11131	2.3
143.04860	1.4
145.06517	2.4
146.03641	1.6
146.07237	1.6
147.04370	1.4
148.05182	3.4
149.05971	12.7
150.06731	2.3
151.03877	2.5
151.07547	64.7
151.11127	3.7
152.06230	1.7
153.01857	1.6
153.07016	1.6
157.06462	7.7
161.05978	54.5
161.09622	11.4
163.07555	36.8
165.05690	1.5
165.07039	6.6
165.09135	3.9
166.07773	1.4
167.07191	2.8
167.08562	11.6
169.08392	7.5
169.12248	43.7
174.06769	3.2
174.99219	2.7
175.07582	3.9
176.98904	4.2
177.09094	2.2
178.07668	2.4
179.06981	1.3
179.08911	4.8
181.06439	3.9
181.08630	3.5
182.07297	1.5
185.04224	10.3
189.09117	47.1
192.09343	2.2
193.06480	4.4
193.10172	3.9
195.08096	15.1
197.06027	3.0
203.05290	4.9
203.08501	1.4
207.08267	2.8
207.10168	24.5
209.06023	2.2
209.09554	2.7
210.06790	5.2
210.84592	1.5
211.07521	3.4
212.08322	3.6
221.05956	6.2
221.09706	7.9
223.07463	7.8
224.08357	2.2
224.45781	1.7
225.05496	1.6
225.09030	7.0
227.07237	1.9
227.10645	22.1
235.07364	1.7
237.08994	2.3
238.06253	4.2
238.09859	1.8
239.07230	1.4
240.07883	2.4
249.09030	3.5
253.08647	9.6
253.12282	10.7
255.10207	18.9
267.10291	4.8
269.08130	3.1
270.08786	1.9
281.11670	4.8
285.11194	15.9
287.12778	32.8
313.14273	8.8
331.13623	100.0
331.16953	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91041	1.2
53.03936	1.7
55.01856	1.7
56.31699	1.2
65.03931	1.5
69.03416	1.5
71.54907	2.4
79.05474	3.3
80.91795	1.2
81.07065	3.3
83.04985	1.5
91.05484	31.4
93.07048	1.7
94.04238	2.3
95.04988	7.7
98.98473	53.2
103.05447	3.8
105.07027	4.4
107.04958	7.7
107.08560	1.3
109.02840	1.5
109.06507	4.7
111.08050	1.7
115.05471	2.0
117.03337	1.2
117.06980	3.0
119.04958	20.5
121.06522	7.2
121.10152	1.8
122.03631	8.2
123.04437	1.9
123.08118	2.0
128.06215	3.6
129.07013	14.5
131.04900	6.3
131.08575	1.6
133.02849	1.8
133.05589	1.2
133.06508	3.5
135.08078	6.9
136.05228	4.8
137.05984	91.7
143.04898	3.1
145.06517	3.4
146.03651	1.4
147.04430	2.0
147.08044	1.8
149.05978	15.2
150.06746	2.0
151.03941	5.9
151.07552	100.0
152.06184	2.9
152.07910	1.7
153.01819	3.2
153.06914	1.5
157.06476	14.2
161.05983	11.9
161.09607	3.6
163.03940	2.2
163.06303	1.9
163.07559	25.7
165.06995	10.5
165.09122	5.7
166.07770	3.0
167.07196	1.9
167.08557	14.5
169.06497	4.1
174.06728	6.3
174.99188	3.5
175.07539	4.3
176.98909	6.1
177.06976	2.6
177.09175	2.9
178.07640	4.0
178.08907	2.1
179.08949	7.5
181.06416	4.1
181.10194	1.4
182.07291	4.5
183.08072	2.1
189.07399	2.0
189.09106	36.8
192.09399	1.7
193.06477	8.3
193.10095	7.5
194.07268	3.8
195.08073	24.3
196.08771	2.4
197.05943	7.3
203.08604	2.9
205.06488	2.6
206.07378	2.3
207.08340	2.0
207.10112	8.7
209.05920	4.2
209.09665	4.4
210.06781	10.9
211.07509	6.3
212.08337	5.6
213.05461	1.6
218.05568	1.8
219.08054	1.9
220.08784	2.5
221.06071	7.9
221.09608	14.1
223.07565	10.4
224.08363	4.4
225.05531	2.9
225.09108	11.1
227.07158	2.6
227.10666	29.9
234.06657	1.3
237.05457	2.6
237.09059	2.7
238.06398	7.3
238.09831	3.1
239.06947	2.8
240.07835	4.8
241.08687	2.2
241.12196	2.2
249.09102	8.6
251.06973	1.3
252.07762	2.6
252.99573	1.6
253.08629	16.5
253.12245	18.8
254.09155	1.6
255.06358	2.4
255.07277	2.0
255.10202	32.5
256.07355	1.3
256.10837	1.3
257.08505	1.8
267.10211	5.7
269.08051	5.8
269.11459	2.5
270.08527	1.5
271.07144	2.7
272.10461	3.8
278.34113	1.3
279.94647	1.3
281.11734	7.7
285.08545	2.3
285.11264	20.1
287.12790	63.8
301.14160	2.5
313.08066	3.8
313.14429	15.9
331.04462	1.3
331.12006	17.4
331.15482	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	331.1542
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.46186	1.3
53.03946	2.0
53.35456	1.3
55.01872	1.8
56.50580	1.2
61.38551	1.2
67.05495	1.6
69.07059	1.5
69.24030	8.6
69.24435	3.5
70.06599	1.9
76.10111	1.3
79.05485	3.6
81.07056	3.4
86.09692	1.8
91.05491	27.1
94.04194	1.7
95.04964	5.4
98.09682	2.3
98.21471	2.4
98.98481	85.0
100.98875	1.6
103.05471	5.0
105.07034	4.3
107.04979	8.9
109.06525	6.6
111.04452	1.9
114.05524	1.9
115.05505	2.7
116.07029	1.3
117.07021	1.9
119.04962	17.8
121.06519	5.4
121.32954	1.3
122.02850	1.3
122.03659	8.4
123.04438	2.3
126.09162	4.9
128.06190	5.4
129.07033	12.0
131.04932	5.6
131.08568	1.7
133.06500	2.1
133.10159	1.7
135.04451	1.5
135.08040	5.5
135.13776	1.2
136.05209	2.9
137.05989	74.9
143.04918	1.9
145.06473	1.9
147.04457	2.0
147.08015	1.8
148.05219	1.6
149.06003	13.4
151.03886	4.2
151.07562	100.0
152.06161	3.7
153.06992	1.8
157.06537	9.1
160.05231	1.4
161.06013	15.5
161.09665	5.1
163.07550	24.6
165.06999	11.4
165.09140	4.7
166.07675	2.9
167.08563	17.9
169.04945	4.4
169.06407	1.4
169.09787	16.0
174.06808	7.0
174.99208	4.1
175.07556	4.6
176.98894	7.5
177.07010	2.3
177.09068	2.6
178.07735	7.9
179.08640	3.7
181.06528	2.7
181.08733	1.5
182.07333	4.1
183.08066	2.3
187.10831	4.1
189.09140	30.7
191.08653	1.6
192.69621	1.6
193.06503	6.2
193.10187	8.1
194.07295	2.5
195.08099	24.6
196.08801	1.8
197.06062	5.3
199.07405	1.8
203.08702	2.4
206.07364	2.2
206.74243	1.5
207.08392	1.5
207.10254	7.5
209.05992	1.6
209.09586	3.0
210.06779	7.1
211.07518	5.1
212.08258	4.4
219.08101	2.2
221.06035	10.9
221.09607	10.0
222.10422	1.7
223.07573	12.9
224.08327	4.9
225.05508	2.5
225.09114	12.5
227.07127	2.1
227.10675	29.6
237.05585	1.6
237.09048	3.1
238.06244	6.4
239.07108	3.5
240.07919	3.8
241.08475	2.5
249.09058	5.4
252.07681	1.6
253.08611	12.5
253.12341	17.0
255.06895	2.0
255.10194	30.4
267.10162	5.4
269.08072	4.0
269.11755	3.1
270.08823	1.6
272.10434	2.9
281.11819	7.0
284.10400	2.0
285.11258	19.5
287.12814	53.2
298.11838	1.6
311.09686	2.0
313.14429	14.9
331.11813	2.3
331.15634	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	331.2118
Annotation	oscr#17
Peak:m/z	Relative Intensity
55.01879	2.0
55.05515	14.9
56.96554	1.6
57.03460	0.9
57.07063	0.6
67.05523	3.3
69.03432	0.8
69.06727	1.0
69.07079	12.5
71.53783	0.9
79.05492	2.6
81.07058	3.5
83.04997	1.3
83.08630	36.3
91.05469	1.1
93.07048	5.1
95.04980	1.1
95.08611	4.1
97.06544	2.3
97.10181	5.0
98.98479	100.0
100.98905	2.2
105.07033	1.2
107.08600	1.7
107.36080	0.7
109.10138	1.1
111.08098	12.9
116.99528	1.5
118.20905	0.6
119.08654	1.4
121.10152	2.9
123.04455	0.7
125.09634	4.4
127.03942	1.3
129.09154	1.7
133.10172	1.0
137.06020	1.3
139.07562	9.7
139.11212	5.8
140.01140	1.2
143.04855	0.9
143.10687	1.0
144.05312	0.7
151.07506	1.5
152.07950	0.8
157.08626	9.0
157.09912	1.0
157.12300	2.6
165.09100	0.8
171.11754	0.7
174.99268	4.7
175.01630	1.4
175.09682	46.0
176.98955	10.0
178.08661	3.7
179.08989	4.4
189.09702	1.0
189.11194	6.2
252.99727	2.0
254.99492	1.2
294.34845	0.8
295.19095	2.6
301.03848	0.7
313.20108	2.9
326.58835	0.7
331.08224	2.7
331.12738	2.0
331.17090	3.8
331.22931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.248
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.01874	0.8
55.05261	0.8
55.05512	9.1
56.96564	1.0
57.03419	0.8
57.07068	2.2
59.05012	0.7
67.05505	6.1
67.39405	0.6
67.39818	0.5
69.03423	0.9
69.07073	20.3
71.05011	1.0
77.16953	0.6
79.01294	0.7
79.05497	5.4
81.07058	10.1
83.04990	2.8
83.08630	6.5
85.06538	0.9
87.04475	1.9
88.07626	0.7
91.05494	1.4
93.07045	7.9
94.07396	0.7
95.04984	1.2
95.08592	6.2
97.06528	3.2
97.10168	8.9
98.21507	1.3
98.98470	100.0
100.98874	1.6
101.06037	2.0
102.06350	0.7
105.07051	0.9
107.08585	3.7
109.10174	1.8
111.11732	1.8
115.05441	1.2
116.05853	0.7
116.99522	1.9
119.08596	2.1
121.10138	8.0
123.04462	0.7
123.11731	1.1
125.09628	6.7
125.13279	1.0
127.03934	1.6
131.08524	0.7
133.10075	0.8
135.08069	1.3
135.11687	1.9
137.06001	1.3
137.09612	1.0
139.11186	14.0
140.01093	1.5
143.04976	3.2
143.10699	0.6
144.05270	2.2
145.10075	0.8
147.11717	0.7
149.13271	0.7
151.07541	4.0
152.07915	3.5
157.12247	3.8
163.06306	1.1
164.06676	0.9
171.10252	0.8
174.99281	4.5
175.07571	1.1
176.07990	1.7
176.98941	9.5
178.08635	10.9
179.08986	14.9
179.10565	0.8
189.11238	9.9
193.10596	0.9
240.23412	0.7
241.98601	0.7
242.05508	0.6
252.99739	1.6
254.99397	0.7
257.26733	1.3
277.21674	6.7
295.22702	19.4
301.03281	0.8
313.23889	3.1
314.14612	1.3
314.17886	1.3
316.05875	1.5
331.08374	1.9
331.17999	8.9
331.30411	6.6
332.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63094	0.8
53.48888	0.8
55.05507	4.2
56.96561	3.1
57.03426	3.5
57.07081	42.4
58.06581	1.0
58.07403	1.3
60.70807	0.8
65.57806	0.8
66.72065	0.9
67.05509	11.0
69.07069	9.8
70.06598	6.2
71.06931	1.1
71.08636	32.2
71.53522	1.7
71.95341	0.9
75.04480	1.7
76.60619	0.8
81.07059	16.6
83.08622	10.2
85.10188	15.6
88.07633	9.0
89.07964	1.8
90.37199	0.9
91.05451	1.4
93.07040	1.5
95.08614	23.8
97.10182	5.9
98.98473	100.0
99.11749	1.1
100.98907	2.2
102.09188	1.7
103.09491	1.1
106.08678	5.1
107.09022	1.2
109.10169	12.2
111.11723	1.1
119.08538	1.2
121.10151	1.4
123.11686	4.4
125.13307	2.1
127.03931	2.2
135.11740	1.0
137.13269	2.1
140.01024	1.0
141.07875	0.9
143.04947	1.7
144.05238	1.5
147.11740	1.1
151.07510	2.6
151.14799	1.0
152.07925	1.5
162.52464	0.9
173.13239	0.9
174.99240	5.4
176.98923	8.2
178.08685	9.1
179.08974	8.2
193.10484	1.4
194.40054	0.9
234.16591	0.8
239.23714	13.1
257.24817	4.3
279.51773	0.9
287.18842	1.1
287.69131	1.2
313.27377	31.5
313.32758	5.3
314.14490	1.7
316.05719	1.9
331.08188	2.1
331.17453	7.0
331.34021	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80569	0.8
52.30059	0.8
52.84806	0.8
55.05503	6.6
56.96550	2.9
57.03422	2.9
57.07076	54.1
67.05502	13.5
69.07062	10.0
69.93149	3.4
70.06601	7.2
71.04990	0.8
71.06921	1.1
71.08632	37.8
75.04461	2.1
79.01321	0.8
79.05489	1.2
81.06588	1.3
81.07057	18.4
83.08614	11.8
85.06494	1.0
85.10180	18.8
88.07630	8.9
89.07955	2.3
91.05469	1.6
93.07065	2.0
95.08611	30.4
97.10173	7.8
97.99171	1.4
98.98467	100.0
99.11714	1.5
100.98880	2.8
102.09181	2.4
106.08672	4.9
107.04996	1.1
107.08520	1.1
109.10158	15.8
111.11728	1.9
116.99495	1.6
119.08576	1.4
121.06548	0.8
121.10190	1.4
123.11710	7.1
125.13241	1.9
127.03883	1.9
137.05978	1.8
137.13246	3.8
138.06317	1.1
139.14836	1.0
139.76889	0.9
140.01106	1.1
143.04903	2.5
144.05261	3.3
151.07513	3.8
151.14780	1.4
152.07906	3.2
163.06317	2.0
164.06645	1.0
174.99188	4.2
175.07552	0.8
176.07860	2.4
176.98871	8.3
178.08650	11.1
179.09004	12.6
182.12242	0.9
193.10439	1.9
220.06805	1.1
221.22594	2.4
239.23680	14.1
252.99847	1.1
257.24725	3.1
297.41025	1.0
298.27362	1.5
313.27374	39.7
313.32706	5.2
314.14453	1.5
316.05786	1.7
324.57562	1.1
331.08151	2.9
331.17291	8.9
331.33987	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	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.70694	0.5
53.03944	0.7
57.03431	1.2
61.02920	1.8
63.53910	0.6
65.03934	1.3
65.89069	0.6
66.87324	0.6
67.05502	3.0
68.77149	0.5
69.03434	6.5
71.02000	1.3
71.04992	0.7
73.02927	1.5
79.05522	0.6
81.03426	1.8
85.02905	8.0
87.04469	1.6
91.03932	0.7
92.05026	0.7
97.02902	3.6
99.04462	0.6
106.06579	4.0
108.08120	100.0
109.02869	1.4
123.06808	4.1
124.07596	15.5
127.03922	2.2
134.06007	10.1
136.07576	13.4
137.84927	0.6
138.20262	0.8
145.04909	0.8
152.07069	65.8
154.08656	1.8
161.05568	1.1
166.08424	0.6
170.05219	0.7
170.08112	7.3
170.09369	0.6
175.09912	0.5
190.94807	0.6
314.12329	37.9
321.10324	1.8
332.13409	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01870	0.8
57.03434	2.8
61.02922	2.6
62.18908	0.6
67.05499	2.4
69.03434	10.8
70.04288	2.4
70.04692	1.4
72.05334	0.8
73.02908	2.3
73.14825	0.7
79.05486	1.3
81.03424	2.2
81.07051	1.4
83.04985	0.7
85.02910	14.6
86.87448	0.6
87.04461	2.1
93.05819	1.0
96.08109	1.0
97.02909	5.9
99.04472	1.6
101.00912	0.8
106.06551	4.4
108.08120	100.0
109.02941	0.8
109.05254	0.7
123.06831	3.9
124.07595	15.8
127.03928	4.2
134.06020	10.9
136.07574	14.2
137.08411	1.0
145.04976	2.5
152.07068	73.6
154.08669	1.8
159.04994	1.2
161.05531	6.8
168.82422	0.7
170.06062	2.5
170.08115	10.9
170.09399	1.0
177.06139	0.9
219.07120	3.4
221.05174	0.6
226.63115	0.8
231.07140	1.1
242.08134	2.4
245.05136	0.8
246.05258	1.1
251.08640	2.6
314.12317	41.7
321.10318	7.3
322.10767	0.9
332.13428	72.8
333.07867	1.0
333.11417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01876	0.6
55.05511	3.3
57.03431	1.6
57.07081	0.9
59.04986	0.4
61.02926	1.9
65.59161	0.2
67.05504	0.9
68.74985	0.2
69.03436	6.3
69.07104	0.3
69.34761	1.5
69.35172	0.5
70.04078	37.3
70.06596	0.4
70.12021	0.2
71.01351	0.3
71.04990	0.8
71.68965	0.3
73.02915	1.3
78.75343	0.2
79.05502	0.7
79.54141	0.2
80.05019	0.3
81.03429	4.0
81.05814	0.5
81.07066	0.9
83.01366	0.3
83.08620	10.7
85.02908	12.7
86.99110	0.2
87.04484	1.4
87.04922	0.3
91.03972	0.9
91.05502	0.7
93.07043	0.6
93.65136	0.3
95.04969	0.6
95.08607	0.5
95.62585	0.2
96.04500	0.3
96.05638	0.3
96.08142	2.2
97.02896	4.9
97.10155	0.2
98.98473	2.8
99.04459	1.0
101.09673	1.2
105.07047	0.4
106.03718	0.3
106.06557	0.4
107.04974	0.4
108.08134	0.6
108.23837	0.2
109.02885	1.7
112.70392	0.2
116.01717	0.3
119.08530	0.3
122.02722	1.8
124.04809	0.3
124.07597	13.5
127.03943	2.8
131.08557	0.4
137.05978	0.8
145.04897	1.3
147.11774	0.3
152.07077	0.9
152.11830	1.6
162.05537	0.5
169.05043	0.7
169.09679	0.3
170.05318	0.7
170.12889	100.0
171.13211	0.4
175.11226	0.5
188.03717	0.4
193.12215	1.6
211.13322	3.4
245.15234	0.3
256.10397	0.3
314.17432	2.1
320.50406	0.3
332.12933	0.7
332.13785	0.9
332.18185	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	332.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.56083	0.2
55.01874	0.5
55.05267	0.3
55.05512	4.2
56.96567	0.3
57.03435	1.1
57.07086	0.9
59.04989	0.4
61.02940	1.6
69.03432	5.8
69.69141	1.3
70.04078	37.5
71.04987	0.5
73.02918	0.7
74.00389	0.2
81.03412	1.8
83.08620	12.9
85.02908	12.9
86.67757	0.3
87.04472	1.0
91.03954	0.6
96.05634	0.4
97.02894	3.6
98.21404	0.4
98.97576	0.4
98.98463	0.8
99.04473	0.6
101.09649	1.0
109.02900	1.6
110.06009	0.4
110.09628	0.3
115.03942	0.3
124.07624	0.6
127.03923	2.7
129.06976	0.3
139.03918	1.0
145.04967	1.4
152.10678	1.0
152.11830	2.3
170.11826	5.4
170.12901	100.0
171.13181	0.6
194.24550	0.2
206.19402	0.2
219.01805	0.3
249.11461	0.3
311.09659	0.8
311.59894	0.4
314.17450	0.3
320.10123	0.8
332.18152	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	333.082
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.41455	0.9
55.01877	1.6
55.05512	1.8
56.54047	0.8
56.96583	1.0
57.03437	2.4
59.04994	2.9
66.04429	0.9
69.03443	5.0
69.07066	1.6
71.04999	2.6
71.52888	1.0
78.04713	0.9
79.01864	3.7
79.05501	3.3
81.03428	6.7
81.05817	1.1
81.07069	3.3
83.04985	1.5
83.08079	1.0
84.04522	2.2
85.02920	14.2
85.06541	1.1
87.04482	2.8
91.05484	2.1
93.07061	2.6
94.32652	1.2
95.04974	1.3
95.08622	1.9
96.04503	1.4
96.08131	3.2
97.02898	4.7
97.08460	1.6
98.97604	2.1
98.98479	12.8
99.04475	2.4
105.07013	1.5
106.04201	1.2
107.01307	1.7
107.04954	1.8
107.08596	1.1
109.02882	8.4
116.01728	1.5
117.87553	1.0
121.06597	1.5
122.03667	3.0
123.04432	3.3
123.08160	1.3
124.07616	14.1
125.02402	4.2
125.07948	16.4
127.03933	12.8
133.06512	1.5
137.05992	31.1
143.03464	5.7
145.04951	1.6
147.04428	1.6
151.03897	1.1
151.07524	1.2
152.72893	0.9
153.01848	100.0
153.02884	4.8
153.05428	2.2
153.09102	2.4
154.06519	1.8
156.04793	1.8
157.05144	2.5
157.07639	2.2
158.06175	1.1
167.07077	30.3
168.08063	1.3
169.07622	1.3
171.02925	12.3
171.10190	2.5
171.12195	1.1
172.61682	0.9
175.64656	1.1
176.98932	2.0
181.07591	4.3
185.07231	1.3
195.09247	2.3
197.07184	4.3
198.07918	3.1
205.07658	1.1
209.07166	2.6
213.06700	7.5
213.08553	1.2
214.07388	1.4
221.07233	1.2
222.07944	1.6
223.08673	3.9
227.08287	4.7
241.09940	1.3
251.08226	4.4
255.07768	2.3
269.09241	3.7
271.09818	1.5
273.11505	1.2
276.07034	0.9
287.10318	8.7
288.09860	4.5
297.05927	4.3
297.08862	2.7
301.10733	1.3
303.12222	1.5
315.06879	4.3
315.09955	14.1
315.13000	2.0
315.71490	1.0
333.10828	27.5
333.14444	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	333.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
54.43721	0.7
55.05503	1.6
56.96568	1.1
57.03430	1.0
67.05496	1.6
68.05035	0.7
69.03418	2.2
71.04979	1.4
79.05501	1.1
81.03436	1.7
81.07055	2.6
82.07426	0.8
83.04987	1.5
83.06136	0.9
85.02909	4.8
85.06539	1.7
87.17253	0.8
91.05489	1.8
93.07048	1.7
95.01344	2.1
95.04958	1.2
95.08624	0.9
96.04486	2.1
97.02909	1.2
97.06528	0.8
98.97586	1.7
98.98483	11.7
99.04472	0.9
105.07043	2.1
107.04948	1.2
107.08603	2.2
109.02879	1.6
109.10148	0.9
112.99143	1.0
116.98615	1.1
120.08125	1.4
123.04449	2.5
123.11698	0.7
124.07639	1.1
125.05963	0.8
125.09628	1.0
127.03915	2.1
130.06575	0.8
131.08578	0.8
135.08028	1.4
135.11699	1.8
137.05991	3.9
139.03935	1.2
147.04436	1.4
151.07574	1.1
153.01854	5.7
153.03687	0.9
153.05476	1.3
153.09084	3.6
153.12744	2.9
154.06516	4.8
155.06053	0.8
157.07652	1.9
163.03951	1.2
165.12811	0.7
167.07144	4.4
168.08083	3.3
169.07600	1.5
170.09679	1.3
171.02979	1.7
171.10228	4.7
174.13141	1.0
176.99039	1.6
177.00644	1.1
179.05957	1.2
180.06818	1.0
181.07616	11.3
182.05981	2.5
182.08435	1.7
183.02928	1.8
183.09227	1.6
185.07100	1.3
186.09192	1.4
193.07611	2.2
195.05547	1.3
195.09181	7.0
196.07588	3.1
197.07126	11.9
198.07883	7.4
199.08702	1.7
205.07652	1.8
206.08397	1.2
209.07135	6.1
210.07872	1.0
211.04997	1.5
211.08788	5.7
213.06630	13.6
213.10004	1.0
214.07297	1.6
217.09773	2.8
221.07233	3.8
222.07889	4.8
223.08691	13.6
225.06578	3.1
227.08192	6.9
233.07129	2.9
239.08206	4.0
241.06264	1.5
241.09804	4.1
251.08209	11.8
255.07713	6.3
259.10764	1.4
260.09262	1.2
269.09314	9.5
273.12228	1.0
279.07953	1.5
287.10324	23.2
297.08658	5.1
297.12094	1.4
301.11008	0.9
315.09802	20.4
315.13229	1.9
333.10822	100.0
333.14047	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	333.1182
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03930	2.3
53.96778	1.7
54.86475	1.5
55.01852	1.9
56.96579	9.3
57.03428	2.5
61.02917	5.6
65.03942	4.0
65.51251	1.8
68.99797	2.5
69.03416	7.2
70.01224	3.4
70.01643	6.4
77.69393	2.1
81.03413	6.8
81.07045	4.4
81.60981	1.9
83.04972	6.0
85.02904	24.2
87.04474	2.2
89.37740	2.0
91.05458	3.0
93.03407	3.4
97.02904	10.8
98.21426	2.4
98.97578	12.7
98.98478	37.0
100.98910	2.9
105.07079	2.1
108.08101	4.4
109.02860	4.2
109.08485	4.2
110.03648	1.9
111.04449	51.3
116.98640	3.3
121.04021	2.2
123.04423	3.0
124.07561	4.3
125.07909	2.3
127.00723	3.3
127.03903	6.0
134.99620	2.2
135.79822	1.9
137.05965	13.7
139.03894	21.8
145.04973	6.9
149.05980	1.9
152.07111	3.7
153.01862	5.9
153.05498	5.5
153.07381	3.2
153.09084	2.2
156.04189	4.6
158.99654	3.1
163.03944	3.5
167.07036	18.3
170.08124	2.2
170.12852	2.3
171.03282	2.8
171.06537	100.0
176.98959	5.0
177.00598	3.5
183.06500	7.0
189.04321	8.1
195.06473	2.5
231.05440	6.5
237.07559	3.1
297.09644	2.6
315.12439	2.9
315.17722	4.7
333.08737	7.8
333.14352	13.3
333.18860	5.4
351.09760	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	333.1182
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03936	1.9
55.01866	2.9
55.05506	1.9
56.96558	2.6
57.03429	4.1
61.02929	5.2
65.03947	9.6
67.05497	1.3
68.99778	3.7
69.03426	13.7
70.06201	4.4
70.06560	1.2
71.01381	1.2
71.04981	2.4
73.02926	2.8
76.70467	0.9
79.05477	1.1
81.03421	7.0
81.07033	1.1
82.06589	7.2
83.01326	1.1
83.05004	5.8
84.08119	1.0
85.02908	43.3
85.06544	1.2
87.04471	1.7
87.98845	0.9
91.03921	1.0
93.03420	4.1
97.02896	15.6
98.97552	4.8
98.98471	17.8
99.04456	3.0
103.03918	2.9
107.04953	2.2
108.08132	3.0
109.02888	6.2
109.08450	1.7
111.04444	35.7
116.98586	1.2
118.13457	0.8
121.02895	1.4
121.03978	3.9
122.03628	0.8
123.04401	1.8
124.07596	2.6
125.07950	1.6
127.03930	8.8
134.05992	0.8
135.04497	1.0
137.05965	4.3
139.03911	91.4
141.05452	1.5
145.04941	5.1
152.07069	3.8
153.01833	5.7
153.06526	16.6
155.27365	0.9
156.04182	6.0
157.05106	1.1
163.03877	1.2
164.07431	0.8
167.07060	6.2
169.04945	1.3
170.08124	3.3
171.06532	100.0
172.09665	1.3
175.56023	1.1
176.98972	2.4
180.04082	1.0
181.05013	1.1
183.06575	2.7
195.07857	1.2
201.05617	2.2
207.06525	1.7
219.01805	2.2
234.99022	1.1
237.02864	1.9
251.58357	1.0
315.12488	1.7
333.06271	2.5
333.11365	6.5
333.14993	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1331
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
53.03949	1.0
55.05515	1.0
56.96559	2.7
57.03435	1.1
69.07065	1.6
78.04710	2.3
79.05488	2.5
81.03410	1.4
81.07057	2.2
85.02916	1.5
91.05478	2.6
93.07047	2.6
94.04203	2.0
95.04981	1.5
95.08627	2.1
97.06557	0.8
98.97588	2.8
98.98471	6.1
103.05474	0.9
105.07034	3.1
106.04182	0.9
107.04951	1.4
107.08605	2.8
109.02880	3.6
109.06539	1.8
116.98602	1.1
119.04890	1.6
119.08554	1.5
121.06524	1.4
122.03648	7.8
123.04436	6.6
124.05246	1.4
127.03896	1.2
131.04883	1.0
135.11693	2.8
137.05981	92.9
143.00151	0.9
147.04408	1.6
147.11639	0.7
151.03900	2.0
151.07527	2.2
152.04683	2.6
153.05540	1.1
153.07066	1.3
153.12784	4.1
161.06000	0.9
161.09624	1.7
165.07002	2.8
167.07048	100.0
168.07324	0.8
168.92621	0.9
179.07031	1.0
181.06529	1.0
181.08693	1.1
183.08032	3.6
211.07539	3.0
212.04825	0.9
223.03799	1.1
227.06999	2.8
243.10255	1.4
251.19550	0.9
255.06535	1.3
265.43848	0.9
269.08118	0.8
271.09659	2.9
283.09689	2.5
288.09930	26.9
301.10867	1.3
303.12210	7.9
310.14224	1.0
315.12369	2.9
315.17664	1.0
333.13782	1.4
333.18546	0.8
351.14877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98241	0.3
52.93122	0.3
53.20359	0.3
56.05016	0.4
56.96565	0.7
57.03437	0.6
60.66184	0.3
63.39108	0.3
69.03442	0.7
69.06293	0.3
71.05006	0.4
71.25954	0.5
71.26293	0.3
79.05504	0.7
81.03427	0.4
81.07043	0.4
81.48457	0.3
82.23628	0.3
83.05003	0.6
85.02898	1.2
85.06544	0.5
86.09695	0.5
87.04459	0.5
91.05477	0.8
93.07066	0.4
97.02921	0.8
98.97587	0.6
98.98470	4.6
99.04475	0.5
107.04969	1.2
108.05318	0.4
109.02866	0.6
111.04478	0.4
122.03641	0.3
123.04425	1.1
124.07567	0.5
125.07935	0.5
127.03918	1.0
127.96439	0.3
135.04398	0.3
137.05991	4.8
143.08711	0.3
147.04366	0.5
150.05501	0.4
153.01833	2.4
153.05511	0.7
153.09181	0.4
154.05806	0.7
161.04762	0.3
161.05986	0.4
163.03825	0.3
164.10049	0.3
165.07030	0.4
167.07059	6.0
168.06589	0.5
171.09991	3.1
174.14955	0.8
176.98969	0.7
177.11496	0.4
185.09296	0.7
197.07201	0.8
207.06685	0.3
211.07442	0.4
241.09654	0.4
288.09961	0.5
301.10934	0.4
315.09790	1.0
315.13254	0.4
315.17346	0.5
333.15207	100.0
334.15451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03949	3.1
53.09344	1.7
55.01874	3.6
55.05503	2.9
57.03435	7.8
57.07083	15.6
59.05012	9.9
61.02932	10.3
67.05514	8.9
69.03433	27.7
69.07068	12.9
70.73714	4.2
71.04984	5.2
73.02907	4.8
79.05488	2.0
80.59834	1.5
81.03425	10.5
81.07050	4.4
81.61249	1.5
83.04989	2.4
83.08630	4.2
85.02910	75.1
85.06556	10.0
87.04471	3.0
91.03965	4.6
91.05487	1.9
93.07039	6.8
95.05003	3.7
95.08613	52.1
97.02898	21.2
97.06519	6.3
98.98484	4.3
99.04456	4.4
99.08096	13.3
107.08600	6.5
109.02904	7.2
109.06555	8.6
109.10167	17.0
111.08089	9.6
111.11710	3.3
113.09650	61.6
126.15023	1.4
127.03905	15.5
127.11203	44.5
127.12135	2.2
135.11705	17.5
137.06050	3.2
137.13206	2.9
145.04956	19.2
151.07503	2.5
153.12752	100.0
155.14296	8.8
167.07018	1.9
171.13817	57.8
177.12723	1.8
195.13719	2.0
213.14851	4.5
219.23772	1.5
272.11566	1.9
301.11868	11.1
333.05750	1.8
333.14874	2.5
333.19006	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54417	0.9
55.05503	1.6
56.96562	4.1
67.05503	2.2
69.07055	2.9
69.22487	2.6
69.22897	8.5
79.05485	2.3
81.07060	2.8
90.23232	1.3
91.05467	1.3
93.07053	2.0
95.08607	3.3
97.06543	1.7
98.98471	22.3
100.98861	2.5
105.07038	1.6
107.08579	4.0
109.10157	2.2
119.08595	1.3
121.10144	2.4
133.10124	1.2
173.23247	1.3
176.98932	4.7
181.05078	1.8
230.70474	1.2
235.13013	1.6
241.94438	1.1
253.13013	1.4
263.95779	1.2
283.15430	1.2
298.20966	1.4
302.24017	1.2
333.16959	5.1
333.20386	100.0
333.25305	3.0
333.26389	2.8
336.87784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47430	0.8
51.78073	0.7
55.05503	1.0
56.96552	2.8
65.03634	0.8
67.05511	1.0
69.07064	1.0
71.54066	0.8
79.05498	1.1
81.07053	2.1
91.05483	1.2
92.66676	0.8
93.07048	1.6
95.08599	1.6
98.98461	18.0
100.98900	1.2
107.08603	1.4
116.99507	0.9
119.08578	1.5
121.10155	1.1
135.11676	1.3
137.05969	0.9
176.98987	1.9
181.04965	0.8
183.72491	1.0
193.05029	1.1
211.09325	0.8
230.15355	0.8
255.09015	1.5
271.14670	1.0
283.15274	1.0
296.59674	0.8
302.23892	0.9
315.17743	1.4
333.17038	3.6
333.20383	100.0
334.20682	1.2
358.02115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2634
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
55.05513	19.5
56.96569	1.8
57.03433	4.6
57.07069	4.4
65.03910	2.5
67.05509	55.9
69.03418	2.9
69.07072	25.9
70.88383	3.5
71.04982	4.9
79.05493	21.7
81.03429	3.3
81.07060	89.0
83.04963	5.9
83.08617	13.3
85.06556	4.2
91.05488	13.2
93.07045	29.2
95.05003	2.6
95.08613	74.9
97.06529	6.6
97.10167	7.2
97.24802	1.7
98.16918	1.6
98.97544	2.6
98.97813	1.8
98.98470	26.8
99.08088	2.9
100.54084	1.8
105.07039	12.1
107.08601	19.5
109.02877	4.9
109.06548	1.9
109.09463	3.1
109.10162	39.5
111.08094	3.8
111.11729	3.6
116.98675	2.1
117.57731	1.7
119.08586	9.4
121.06501	3.5
121.10150	22.1
123.04429	4.5
123.08055	3.0
123.11710	21.0
125.09631	3.9
127.03965	2.2
131.08578	6.6
133.10126	10.1
135.08003	3.8
135.11702	15.1
137.05984	22.5
137.09602	2.6
137.13257	7.8
139.11165	2.0
145.10133	7.2
147.11716	11.1
149.09660	2.4
149.13266	4.8
151.11130	2.5
151.14885	2.7
153.09117	2.3
159.11694	4.6
161.09537	2.4
161.13298	8.7
163.11201	1.9
163.14783	3.3
165.12756	5.7
167.07053	28.5
173.11830	3.8
173.13284	5.5
175.14909	2.0
176.98947	5.2
177.00433	1.8
179.07045	1.8
179.14307	4.2
187.14755	5.1
191.14313	2.9
195.85522	1.8
201.16100	1.7
209.15356	3.9
211.07571	2.9
223.16866	3.8
243.21066	11.8
261.22137	26.3
279.23199	100.0
288.09991	10.4
297.24219	11.1
347.42236	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	334.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03967	0.8
55.01869	1.8
55.05508	0.8
67.05502	1.2
68.99791	0.9
69.03414	1.3
69.59714	0.7
70.06588	0.9
70.64967	1.4
79.05474	0.8
81.03374	1.0
84.08138	1.3
85.02897	1.8
85.06545	1.0
91.05478	2.1
95.04963	2.9
96.69382	0.7
97.02890	1.8
98.97570	1.0
102.09188	1.0
105.03378	1.2
107.04943	1.0
109.02871	2.8
109.06455	1.3
109.94127	0.8
111.04440	1.5
114.99780	0.8
116.01623	0.9
118.01264	1.4
119.04972	4.6
123.04435	33.1
124.07577	1.1
126.09092	1.5
127.03921	1.1
135.04407	2.9
137.05997	5.7
138.06352	4.4
139.03909	13.2
144.10193	1.5
147.04411	18.0
151.03908	78.1
153.01831	0.9
153.05429	3.6
154.08566	1.6
155.07053	1.3
161.05978	3.2
162.03856	2.2
163.03909	4.4
165.05486	8.2
167.07062	4.2
168.07361	4.6
171.46576	0.7
172.09698	2.7
173.05962	2.7
179.07030	2.1
181.04958	5.4
189.05402	1.3
193.05003	4.3
207.06535	2.9
215.07123	1.4
217.08559	1.0
237.24994	0.7
267.06323	0.8
267.12445	0.8
285.07556	3.1
289.10233	1.0
303.08636	100.0
317.11377	1.2
334.15652	9.2
349.87732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01879	1.0
57.03424	1.5
61.02942	3.2
69.03429	5.4
70.69949	1.0
70.70286	0.6
71.04998	0.8
73.02919	1.2
81.03442	2.4
85.02912	25.0
87.04459	1.2
91.03978	1.5
91.05486	9.6
91.89582	0.5
97.02907	7.3
98.97578	1.5
99.04467	1.6
109.02870	1.7
109.06507	1.0
119.04951	6.5
121.03740	0.4
127.03934	4.4
137.05986	100.0
138.06334	1.1
145.04971	8.7
155.07057	9.7
161.06000	0.6
163.06000	1.2
172.09683	1.8
179.07022	1.6
180.08691	5.4
200.32031	0.5
203.07135	0.8
221.08218	0.7
245.08098	0.9
263.09109	1.3
277.26505	0.6
281.10297	0.7
311.46509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58808	2.0
55.01859	5.2
55.05503	7.1
55.13166	2.2
56.96558	5.0
57.07060	7.8
67.05505	20.1
69.03435	3.8
69.07056	10.2
71.08640	12.0
72.04517	71.1
77.70174	2.0
79.05489	10.5
81.07052	22.9
83.08608	4.1
85.02946	2.4
85.06518	3.2
91.05474	7.3
93.07053	16.7
95.04974	19.9
95.08606	23.4
96.91689	2.2
97.06531	4.6
98.97588	5.5
98.98459	3.4
99.08048	5.3
105.07014	10.4
107.08604	12.4
109.06508	22.7
109.10186	3.5
114.09197	17.2
119.08546	7.7
121.06477	5.4
121.10129	7.0
128.10684	6.0
129.06975	2.1
130.44606	2.0
131.08534	2.7
131.27121	2.3
133.10101	9.7
135.08041	3.1
142.12245	4.1
143.69370	2.3
145.10202	4.3
147.11711	4.6
147.80589	2.7
148.01556	2.1
149.06071	2.4
149.13217	5.3
157.63382	2.3
165.12758	100.0
173.13295	10.0
175.11180	4.6
180.13843	4.0
182.15385	15.9
184.13295	3.0
191.14313	8.4
198.57896	2.1
201.12819	7.3
212.16489	10.7
212.23741	2.3
217.53548	2.2
220.16949	14.5
229.19408	4.1
236.20105	44.9
247.87190	2.5
253.12779	2.5
267.08990	5.3
271.20578	6.2
285.10080	6.7
289.21555	9.5
292.66763	2.6
316.26260	9.0
334.27402	88.6
335.25528	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
56.05014	0.3
57.07080	5.2
58.06604	1.8
69.48821	0.5
69.49224	1.5
70.06598	17.0
71.08603	1.1
72.08167	1.9
84.08152	2.1
85.10158	1.0
86.09722	2.7
88.07635	5.8
89.06007	0.7
93.07051	0.2
98.20831	0.6
102.09201	3.2
114.09135	0.6
123.62005	0.3
132.10210	7.3
146.10664	0.5
146.11766	7.8
179.53775	0.3
184.20622	2.2
210.22188	0.6
228.23250	12.8
272.25851	39.2
273.26083	0.5
281.57135	0.3
316.28320	0.7
334.29526	100.0
335.29877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
57.07077	6.2
58.06599	1.8
60.04530	0.5
69.37872	1.9
70.06595	17.6
71.08640	1.5
72.08154	1.4
84.08146	2.1
85.10165	0.9
86.09273	0.3
86.09713	3.0
88.07633	10.8
89.06037	0.7
98.21629	0.3
102.09183	5.0
114.09186	0.4
121.78599	0.2
132.10214	6.0
146.11771	7.0
184.20659	2.5
210.22186	1.0
212.23633	0.3
228.23238	22.5
272.25845	32.2
273.25992	0.4
284.21063	0.2
316.28397	1.5
334.29517	100.0
335.29865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.99552	1.9
56.02710	1.7
56.96561	2.2
57.03434	2.5
61.02926	3.9
65.18158	2.1
69.03423	8.6
70.06580	4.2
81.03424	3.1
82.99905	2.6
85.02916	10.9
97.02894	5.8
98.21517	4.2
98.97586	6.2
99.05586	2.6
101.00899	12.9
108.08141	16.9
109.07777	2.5
109.08462	13.8
110.08774	2.7
113.00858	5.5
115.02444	3.9
119.01933	9.9
121.01697	2.3
125.07930	3.0
127.03894	5.0
127.08668	2.8
131.01906	7.9
133.03477	4.9
136.06192	6.1
137.07915	4.5
143.01904	8.9
145.03464	7.1
145.04887	2.8
147.05087	2.7
152.07068	7.8
153.07413	8.2
154.04984	2.8
154.07646	3.1
155.01874	10.8
155.03221	3.0
155.08017	5.0
157.01596	2.2
157.03435	6.1
159.04945	2.8
161.02985	8.1
169.03441	4.4
173.02998	8.9
173.04327	4.6
173.06454	5.1
173.09145	3.6
175.04544	3.0
185.02943	6.2
187.00841	2.6
196.99506	2.6
197.03067	3.0
203.03935	4.9
215.00424	5.4
215.03931	2.8
219.01691	2.9
221.05127	8.4
237.02843	2.7
245.05060	8.7
259.06662	7.0
261.08127	2.4
275.02301	6.3
275.06009	5.0
276.02649	2.5
277.07623	3.3
279.09259	5.8
293.07251	2.2
303.01401	7.5
303.05487	4.6
317.13150	8.6
335.07480	100.0
335.13379	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.96553	3.5
57.03426	1.7
61.02916	1.7
65.01849	0.9
66.93559	0.7
69.03425	4.8
69.26920	1.0
70.28640	3.2
73.02895	1.4
81.03416	2.1
82.99828	4.4
85.02897	6.8
85.06535	1.1
86.99314	1.1
87.04462	1.0
91.05501	1.2
97.01414	2.0
97.02870	4.3
98.97581	10.0
101.00883	27.9
103.02461	1.3
108.08110	2.8
109.02881	1.6
109.08458	2.2
110.97564	1.4
111.04456	1.2
113.00868	10.4
113.04465	1.6
115.02428	4.7
116.98608	2.3
119.01151	1.5
119.01928	22.7
120.08096	2.5
127.02395	2.7
127.03888	3.0
128.98596	2.5
129.03958	2.8
130.06502	2.5
131.01918	16.5
131.05559	7.6
133.03462	4.2
137.00839	3.4
137.03035	0.9
137.05983	3.0
137.83838	0.8
138.82852	1.0
143.01909	88.2
144.02095	1.2
145.03455	7.9
145.04909	1.8
146.99591	1.0
147.01413	1.7
147.05052	1.4
148.04811	1.2
149.02957	1.3
149.06607	6.4
152.07059	1.2
153.01787	1.7
155.01907	27.9
155.04475	1.4
155.05627	4.7
155.06647	1.0
156.02693	2.4
157.03485	3.8
158.99632	2.7
159.05017	5.3
161.02965	72.0
162.03088	0.9
167.05534	2.4
169.03534	2.3
169.07053	1.5
170.99634	1.2
171.05031	2.7
172.97542	1.1
173.02975	16.3
173.06609	27.6
173.10001	1.1
175.04538	2.3
175.08130	1.0
177.00748	1.1
177.06058	3.1
184.04530	2.1
185.01457	1.0
185.02969	5.0
185.06618	30.5
187.04541	2.3
187.08188	4.1
190.98679	1.1
191.07550	5.5
195.05023	1.1
197.02986	1.1
197.06628	3.1
199.08217	1.5
201.06123	2.0
203.04030	9.8
203.07628	12.2
205.03738	1.1
209.06660	1.3
215.04045	1.5
215.07658	12.7
219.01735	2.1
221.05060	15.6
222.05559	1.0
223.05164	1.0
227.04355	1.1
227.07462	2.1
233.08670	3.1
237.02785	2.4
244.57912	3.4
245.05185	2.9
257.08612	6.7
263.06137	1.3
275.06183	5.5
275.09747	37.5
288.25250	0.9
289.03714	0.9
289.09790	1.3
293.10828	100.0
307.10562	2.0
309.08609	1.1
310.60107	0.9
316.12369	1.9
317.13165	1.7
318.84875	0.9
325.60709	2.5
335.11926	57.3
336.11746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39525	0.7
53.03946	2.0
55.05502	2.3
55.85183	0.7
61.02920	0.8
65.03941	2.8
67.05513	7.7
67.09377	0.8
69.03428	3.3
69.07075	100.0
71.04968	1.2
71.53406	1.6
71.77087	0.8
79.05491	3.1
80.05028	1.3
81.03435	3.9
81.07062	11.3
81.20665	0.8
83.04980	2.3
85.02915	2.6
85.06547	1.2
91.05467	3.0
92.05042	4.1
93.07037	3.6
94.06553	3.5
95.04971	3.5
95.08620	7.2
97.02917	1.3
97.06538	17.4
97.10170	1.1
105.07026	4.6
107.08601	3.5
109.02879	5.0
109.06522	2.3
109.10169	6.0
113.09647	0.9
119.08566	2.8
120.08091	0.8
121.05283	0.8
121.06512	1.3
121.10138	3.3
122.06024	7.3
123.08021	1.7
124.07584	2.3
125.06017	2.6
127.03908	2.6
131.07277	1.6
131.08585	1.8
133.10114	3.1
134.06042	1.3
135.08144	0.9
135.11674	2.1
137.05972	4.6
137.09634	1.2
137.13211	1.1
138.05518	5.1
140.06204	0.9
140.07088	7.5
142.08719	1.3
143.02020	0.9
143.08571	1.2
144.08075	1.9
145.08899	2.6
145.10143	3.3
146.09648	3.6
147.04469	1.6
147.06953	0.9
147.08130	0.9
147.11685	1.1
148.03912	2.5
149.09697	1.7
150.05518	81.9
151.11086	1.1
152.07039	1.4
153.01848	1.0
157.08893	2.4
159.08049	1.1
160.07552	0.8
161.08339	2.8
161.09596	2.1
162.09137	2.2
163.11234	1.0
164.03447	1.1
166.05022	25.2
168.06505	1.3
171.08109	0.8
172.07553	1.1
172.11156	4.6
173.08360	2.0
173.09692	1.3
174.12807	5.2
175.14851	0.9
176.03415	8.3
178.05008	2.2
182.04552	1.1
185.08302	1.7
186.07646	2.0
186.09193	1.3
188.10738	1.7
190.08656	1.0
190.12251	3.9
194.04497	2.9
200.07034	1.0
200.10786	7.0
202.12280	7.1
204.10249	1.1
216.10175	4.3
218.08392	1.1
218.11780	29.0
226.08873	0.9
227.11761	0.9
228.10213	15.6
229.13402	2.2
234.11212	2.3
243.11278	1.6
244.09650	2.8
245.12862	3.2
246.07578	1.0
246.11284	24.3
253.09747	0.9
255.11301	1.5
256.09641	1.2
257.09299	1.3
271.10797	4.4
272.09097	4.1
273.12357	3.6
274.10684	2.8
287.10245	8.0
289.11813	12.8
290.10010	2.0
291.13269	1.3
299.10358	6.1
299.20190	1.2
299.25726	0.9
317.11340	33.3
317.21210	2.7
318.09842	1.3
335.12384	34.8
335.22339	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06425	0.3
55.01878	9.4
57.07055	1.5
67.05486	1.0
69.03407	1.1
69.07054	0.9
69.70924	2.0
71.01371	0.6
71.04974	0.6
72.87255	0.3
73.02915	0.8
76.85780	0.4
79.05476	0.7
81.03413	0.6
81.07021	0.4
85.02904	2.2
85.06542	0.7
91.05464	1.0
93.07024	0.6
94.06553	0.4
95.08609	0.8
96.04515	0.4
97.02883	0.8
98.97590	0.6
101.00867	1.0
101.06007	0.4
107.08574	0.4
108.04457	1.0
109.02888	0.4
109.10145	0.9
113.02361	0.6
118.65701	0.4
119.01914	1.0
122.06046	1.8
123.04421	0.4
124.03980	0.5
124.07615	1.0
127.02377	0.3
127.03955	0.5
131.01921	0.5
131.08522	0.4
137.04953	0.4
137.05974	1.4
138.05461	0.7
140.07065	0.8
143.01846	0.6
144.08076	0.6
145.03471	1.5
147.04453	0.7
148.07553	0.4
150.05531	1.9
151.03911	0.9
155.10670	1.1
157.03415	1.1
158.09673	0.4
159.10197	0.7
161.02957	0.4
162.09100	0.7
163.03893	1.5
166.05020	0.5
167.01947	0.4
168.06564	1.9
170.09579	0.5
172.07565	0.9
172.11230	0.6
173.02934	0.5
173.10722	1.0
174.09233	0.6
176.03424	0.6
178.08644	2.2
182.08174	0.5
183.09201	1.1
184.07538	1.7
185.02962	1.5
186.07747	0.8
186.09233	0.6
187.08638	0.8
189.07495	0.5
189.10295	0.6
193.04929	1.0
194.08209	0.5
197.10799	0.8
198.05446	0.4
198.09273	1.8
199.08801	1.9
200.07086	1.3
200.09100	0.7
200.10941	2.2
201.06606	1.2
201.10243	6.2
202.08682	1.5
203.03996	0.4
205.09801	0.5
206.08168	0.5
211.08647	0.6
212.07068	1.3
213.10234	1.6
214.07338	1.1
215.08144	2.6
215.11780	0.9
216.07082	0.4
216.08971	1.5
217.09717	3.2
219.11305	1.0
220.09888	0.4
225.10260	1.4
226.08704	2.8
226.10655	0.5
227.08145	3.1
227.11790	0.9
228.06517	0.8
228.10492	4.2
229.06090	0.4
229.09714	7.8
230.08403	0.7
230.10530	1.2
231.11201	0.7
233.05132	0.5
242.06808	0.4
243.07661	1.1
243.11308	7.9
244.08586	1.5
245.02707	0.4
245.09245	4.7
245.12991	0.7
247.10825	1.6
253.09756	1.4
254.08107	2.3
255.11316	1.0
256.08444	0.6
257.09253	16.5
258.10168	1.7
261.12430	0.7
265.11884	1.1
271.10770	10.1
272.09274	1.4
273.12247	1.0
275.06152	2.4
281.09091	0.5
287.10309	2.9
289.11917	5.5
299.10269	12.1
300.08365	0.5
302.09055	1.0
303.09763	0.8
305.11194	0.4
307.12900	2.7
317.11343	100.0
318.11691	0.8
335.12390	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05505	8.9
57.03437	16.3
57.07070	2.2
59.60734	2.5
67.05173	3.9
67.05507	52.4
68.17955	2.5
69.07058	9.9
79.05497	25.6
81.07065	55.3
83.08614	4.9
91.05485	11.3
93.07046	24.5
95.08617	40.4
97.10240	3.0
98.21558	4.2
105.07050	10.7
107.08616	17.4
109.10159	20.6
119.08552	8.4
121.10141	16.0
123.11707	6.7
131.08597	7.4
131.15968	2.8
133.10147	6.0
135.11688	8.5
135.91177	2.7
137.13223	2.6
145.10146	7.0
147.11697	6.1
149.13278	8.1
159.11699	5.7
161.13210	4.4
167.65907	2.5
173.13280	6.0
261.22156	7.3
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	3.9
53.78545	1.1
55.05260	1.6
55.05511	17.4
57.03440	13.8
57.07079	1.4
60.46201	0.9
65.03946	2.4
67.05507	68.4
69.07074	15.6
70.69861	3.0
71.04987	2.0
79.05496	33.9
81.07059	61.0
83.04977	2.0
83.08615	5.8
85.06533	2.4
91.05486	17.4
93.07043	36.7
95.04964	2.6
95.08610	52.1
97.06530	2.5
97.10163	1.7
105.04565	1.2
105.07054	8.8
106.85051	1.3
107.08608	17.0
109.09462	2.2
109.10162	20.4
111.08055	1.9
117.07042	3.5
119.08592	9.2
121.10156	14.6
123.11713	6.2
131.08588	6.0
133.10136	6.4
135.11687	8.8
137.09578	1.3
137.13275	2.3
145.10110	5.2
147.11681	4.6
149.13277	6.5
159.11694	4.1
161.13261	2.4
163.14822	1.3
173.13242	3.8
175.14771	1.6
187.14821	2.6
243.21111	3.2
261.22189	4.7
335.25809	100.0
336.26111	1.9
343.91251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	3.3
55.05268	1.3
55.05514	17.0
55.73595	0.6
57.03149	1.2
57.03436	18.4
57.07060	3.3
62.21518	0.7
65.03934	3.4
67.05505	73.3
69.03430	0.9
69.06732	1.3
69.07072	17.4
71.04983	3.2
71.08623	0.8
79.05495	37.4
81.07058	63.6
83.04961	2.5
83.08617	6.4
85.06538	1.7
91.05480	20.4
93.07045	41.6
95.04955	3.4
95.08611	53.4
96.40064	0.7
97.06514	2.9
97.10175	2.8
99.08080	1.7
103.05467	0.7
105.04486	1.5
105.07034	14.2
107.08597	21.5
109.06515	2.2
109.10156	21.1
111.08073	1.1
115.68571	0.7
117.07014	5.2
119.08575	12.7
121.09318	1.4
121.10140	16.3
123.08039	1.9
123.11686	6.5
124.93706	0.8
129.07036	1.4
130.87778	0.7
131.08578	8.4
133.10129	10.4
135.08102	0.8
135.11690	9.8
136.39381	0.9
137.09598	1.4
137.13271	2.1
142.07845	0.8
143.08611	1.6
143.49142	0.9
145.10121	5.5
147.11693	5.9
149.09593	1.0
149.13290	4.7
157.10133	2.4
158.10916	0.7
159.11703	4.4
161.09749	1.0
161.13223	3.6
163.14824	2.5
165.12752	0.9
169.10088	0.8
171.11807	1.1
173.13254	5.0
175.14859	2.2
185.13217	1.1
187.14867	2.6
193.52873	0.9
197.13242	0.9
199.14876	1.7
201.16315	1.0
238.81677	1.0
243.21138	2.9
261.22198	4.8
304.13901	0.8
317.24820	1.2
325.91391	0.9
335.25818	100.0
336.26196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03953	2.9
55.01875	1.0
55.05272	1.1
55.05518	18.3
56.75793	0.6
57.03447	19.1
57.07072	1.7
65.03937	2.5
67.05514	71.8
69.06733	1.2
69.07079	16.5
69.70303	3.3
71.05002	1.1
79.05504	35.7
79.30936	0.7
79.55870	0.6
81.03442	0.9
81.07068	62.7
83.04956	1.7
83.08647	6.3
85.06558	1.2
91.05490	15.1
93.07059	35.5
95.04969	2.5
95.08619	54.3
97.06540	2.3
97.10172	2.2
99.08113	1.1
105.04516	0.9
105.07050	11.6
107.08611	17.4
109.06537	2.0
109.10170	19.8
111.08121	1.2
117.06995	3.0
118.12526	0.7
119.08601	7.5
121.10157	14.6
123.08073	1.1
123.11727	7.1
131.08583	5.5
133.10162	6.7
135.11710	8.6
137.09592	0.8
137.13246	1.5
139.11258	0.8
145.10117	4.6
147.11707	3.9
149.13295	5.4
159.11742	3.3
161.13258	3.3
163.14827	1.7
173.13264	3.0
175.14993	0.9
187.14923	1.0
243.21089	1.6
261.22131	4.5
279.23209	0.6
317.24878	1.2
335.25833	100.0
336.26328	0.9
354.56003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
52.92099	1.2
68.34948	1.0
69.89047	5.3
69.89392	2.0
70.85246	1.0
71.14648	1.3
76.88530	1.1
94.08677	1.2
120.61991	1.6
151.36209	1.3
176.68356	1.1
337.08539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.4
66.81693	1.5
69.03422	5.0
69.89350	8.3
70.06580	2.3
71.21600	1.4
73.02929	2.6
85.02914	8.8
97.02914	3.1
98.97578	4.2
101.00894	9.3
103.00650	1.7
113.00886	2.7
118.28839	1.4
119.01933	8.6
127.02428	4.2
127.03933	2.2
131.01895	6.7
133.03514	3.3
139.02499	2.2
143.01904	4.1
145.03459	12.6
147.03122	1.8
153.03981	2.0
155.01927	5.3
157.03479	8.3
161.02911	2.0
169.03482	2.3
173.02907	7.6
177.02437	1.9
185.03084	2.8
187.00729	1.7
189.02367	3.7
201.02370	2.2
203.04082	1.8
215.00375	3.0
217.01967	11.2
221.05029	3.6
229.01872	4.1
230.55142	1.5
231.03566	1.9
232.79793	1.5
235.02940	1.7
235.06683	2.7
245.05029	3.0
247.02988	5.3
247.06656	2.7
265.04004	2.1
273.08182	2.9
275.06174	3.0
276.69885	1.5
277.07730	1.8
291.09180	3.2
319.04919	1.6
337.08658	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72663	3.1
55.01869	7.8
56.96544	6.2
57.03441	6.6
61.02926	14.3
68.99806	3.5
69.03426	11.0
70.70420	4.9
70.70758	8.0
71.04993	12.2
73.02916	8.8
79.05486	4.4
81.03414	14.1
81.28438	4.1
83.04990	4.8
85.02899	25.2
87.04467	13.5
89.06042	38.4
91.05458	5.4
97.02908	36.4
97.06557	3.6
97.98930	4.0
98.27361	3.6
98.97587	13.5
101.02354	4.8
103.05465	18.6
105.07056	11.2
107.04984	4.8
109.02903	6.5
115.02554	3.5
115.05463	8.4
117.07052	4.0
118.04194	8.8
119.04990	4.3
127.03935	11.2
129.06996	6.1
130.04124	6.1
131.04939	71.4
133.06482	9.6
137.06026	3.9
139.03897	5.0
141.06947	17.3
144.05727	6.1
145.06529	7.3
146.03683	10.1
147.04445	10.5
147.07994	5.1
155.04922	4.8
155.31375	4.0
157.06525	12.0
159.04422	12.9
161.06004	26.9
163.03905	3.7
167.06996	5.2
169.06473	21.0
171.04480	9.6
172.05241	5.2
173.06071	12.2
174.03143	4.9
175.07582	4.8
176.04698	11.8
181.04990	6.8
185.06039	9.2
185.08069	4.1
186.06798	9.3
187.03897	29.1
187.07576	6.8
188.04733	11.1
189.01842	11.2
189.05510	23.7
190.06284	6.4
191.07051	73.9
193.08571	6.6
197.05945	19.7
199.03864	4.1
200.04645	4.8
201.05492	6.0
201.09175	7.9
202.06367	4.2
203.03354	7.9
203.07030	8.2
204.04166	35.9
205.04924	5.6
205.08592	9.5
213.05515	10.6
214.06247	9.1
215.07031	27.9
216.04169	4.9
217.04968	17.1
217.06792	3.9
217.08707	7.2
218.05768	13.4
219.06557	54.0
220.74908	3.8
221.08110	7.6
229.04970	5.3
229.08669	12.4
231.03003	6.5
231.06564	9.3
233.08060	7.6
235.06021	7.1
242.05717	8.3
243.06592	22.3
245.04425	25.5
245.08131	16.9
247.06093	4.3
247.09604	18.1
249.07658	10.1
257.08069	28.0
260.06836	40.8
262.04797	12.9
263.05521	19.7
263.08868	4.0
273.07556	12.2
275.09134	100.0
275.11908	5.8
277.07098	60.9
287.05530	14.5
291.08597	5.1
301.07178	13.5
301.11615	5.7
305.11462	7.2
314.16623	4.3
319.08246	18.7
319.12982	7.4
337.10129	8.5
337.14133	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	337.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59985	2.4
55.01869	6.9
55.05519	2.7
56.96574	4.5
57.03440	3.8
58.51833	2.3
61.02924	10.6
62.84507	2.4
68.99794	2.5
69.03426	8.6
69.40319	11.1
69.40738	9.0
71.01379	2.8
71.04995	8.1
72.50978	2.3
73.02933	3.4
79.05497	3.4
81.03419	4.6
83.01334	2.9
85.02910	11.3
85.06536	9.8
91.05500	7.3
93.07043	3.8
95.04982	2.5
97.02888	5.3
97.04012	5.7
97.06556	5.0
98.97575	9.6
101.02390	4.0
102.52516	2.7
103.05479	19.0
105.07055	9.4
107.04971	2.8
109.02909	5.4
115.05451	9.5
116.98666	2.7
117.07056	4.9
118.04170	9.0
119.04978	2.8
119.08557	2.7
121.17407	2.4
122.06036	3.9
123.04423	6.0
124.07628	4.9
127.03925	7.7
129.03409	4.3
129.07036	5.9
130.04121	3.1
131.04950	52.5
133.06451	12.3
136.07532	2.8
137.06012	4.9
139.03864	2.6
139.07545	2.7
140.07921	3.9
141.06989	18.0
143.04889	6.1
144.05701	3.7
145.06503	8.7
146.03673	6.9
147.04434	6.7
148.05234	3.9
151.93919	2.5
152.07043	3.4
153.01855	3.6
154.08745	2.5
155.04904	6.0
157.02902	7.0
157.06511	10.5
157.08640	4.0
157.12238	4.1
158.06056	11.0
158.07243	4.1
159.04404	9.3
159.08087	5.2
160.05196	3.8
161.05983	23.2
163.03943	3.9
169.06458	18.1
170.03654	3.4
171.04434	8.6
172.05203	5.6
173.06003	11.3
175.03838	5.9
175.08678	14.8
176.04701	11.7
177.05557	5.7
178.06381	5.9
181.05022	5.5
183.04504	3.6
185.06023	10.6
186.06795	8.3
187.03941	33.9
187.07555	10.4
188.04736	7.1
189.01880	11.6
189.05571	18.2
190.06274	3.8
191.07051	57.5
193.08646	6.2
197.05974	19.9
199.04002	3.5
200.04688	5.6
201.05490	4.7
201.09032	4.8
202.06348	2.8
203.03453	9.1
203.07028	5.5
204.04192	36.5
205.05055	4.8
205.08618	8.4
206.05638	3.1
211.07603	4.6
212.05138	2.6
213.05522	10.2
214.06305	8.2
215.07066	21.9
216.04254	6.0
217.04974	16.9
217.08646	5.8
218.05865	12.1
219.06573	53.0
221.08127	4.1
225.05479	2.5
229.08623	13.5
231.02965	6.2
231.06467	12.2
232.07426	4.4
233.08064	11.7
234.05252	4.0
235.06046	8.7
241.04947	3.7
241.09415	2.7
242.05875	4.5
243.06552	18.5
244.03564	3.2
245.04515	26.5
245.08180	16.8
247.06078	3.1
247.09628	17.0
249.07561	10.6
251.29607	2.7
257.08090	25.0
260.06830	43.0
261.07382	3.6
262.04761	12.8
263.05569	11.1
263.98993	2.7
273.07736	8.7
275.09183	100.0
277.07089	54.5
287.05515	14.6
291.08606	4.6
298.93570	2.6
301.07092	10.0
301.11954	4.3
319.08206	21.2
319.12772	15.5
337.09277	19.8
337.14182	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	337.1105
Annotation	Firocoxib
Peak:m/z	Relative Intensity
55.53909	0.4
57.77792	0.4
64.87863	0.5
67.56907	0.4
69.94894	2.1
69.95235	0.5
76.34845	0.5
98.21430	0.6
101.00918	0.9
106.98264	0.5
125.39507	0.5
131.01886	0.5
141.29507	0.4
152.25966	0.4
155.01984	0.5
157.03421	0.9
223.97585	0.5
235.06691	0.7
337.11380	100.0
338.11789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.02372	3.6
53.03940	6.3
55.01871	7.9
55.05513	79.8
57.03426	9.5
57.07070	7.8
59.05010	6.0
59.58549	2.7
63.94151	2.7
67.05507	38.9
69.03440	20.7
69.07071	90.1
71.01354	9.9
71.04990	43.3
71.33626	4.3
73.02910	3.3
79.05497	30.7
81.03400	5.8
81.07061	100.0
83.04987	24.7
83.08615	16.6
85.02931	7.1
85.06538	12.5
91.05479	28.5
93.07045	89.3
95.04984	20.8
95.08610	85.3
97.02882	5.3
97.06544	17.0
97.10175	95.0
98.97574	4.7
99.04475	6.8
99.08098	6.5
105.07031	45.2
107.05006	3.0
107.08598	71.7
109.02879	6.6
109.06528	19.0
109.10157	62.5
111.08084	11.9
111.11729	19.3
116.98574	3.4
117.07013	6.1
119.08588	39.9
121.06528	15.5
121.10143	70.5
123.08095	18.8
123.11738	25.2
125.09621	23.9
127.07590	5.4
127.11201	7.8
128.98607	3.4
129.07004	4.6
131.08566	10.8
133.10141	31.5
135.08046	9.6
135.11702	46.6
137.09625	23.4
137.13251	5.2
139.11180	42.8
141.09087	7.0
143.08563	5.8
143.10641	23.6
145.10121	37.0
147.08110	5.5
147.11690	22.7
149.09636	14.3
149.13258	17.1
151.07555	6.7
151.11203	16.7
153.12747	12.7
155.10706	10.1
157.10124	12.0
157.12225	19.1
159.11700	18.0
161.09648	12.1
161.13261	8.4
163.07553	4.3
163.11177	31.0
163.14845	5.7
165.09106	8.0
167.10741	6.9
171.11696	7.6
173.13264	13.2
173.63043	2.9
175.11194	9.4
175.14828	7.2
177.12703	7.7
179.10722	6.5
181.10635	3.5
181.12210	21.8
183.12073	3.0
185.13293	4.3
187.11235	5.8
187.14825	5.4
189.08966	3.4
189.12823	4.5
193.12286	4.0
195.11813	3.6
195.13708	4.2
199.14832	6.8
201.16333	3.3
203.14450	5.7
207.13649	3.4
209.15504	3.7
215.10719	4.6
215.17923	4.3
221.15277	5.1
245.15468	3.3
255.21022	4.0
259.51828	6.2
273.22168	10.8
275.20001	4.3
283.20575	10.8
291.23145	18.5
293.21152	8.2
301.18274	5.6
301.21643	43.5
316.28937	3.0
316.53470	15.3
316.56790	3.5
319.22690	46.8
337.10394	10.9
337.23752	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	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99436	0.9
53.03950	2.1
55.01867	3.6
55.05508	1.8
55.91437	0.9
56.96560	3.3
57.03452	5.1
61.02932	9.5
67.05502	3.0
69.03434	16.7
69.07063	3.9
71.04993	3.8
71.54575	1.3
72.39087	0.9
73.02920	4.1
81.03423	9.0
81.07072	1.7
83.01346	1.3
85.02910	100.0
87.04459	3.9
91.03965	6.7
93.07054	1.4
95.08615	55.5
96.08913	1.0
97.02896	24.0
97.03517	1.3
98.97591	5.9
99.04438	4.6
104.05788	1.0
105.07024	3.9
107.08579	2.5
109.02889	6.3
113.09650	75.6
115.03983	1.9
116.98604	1.3
119.08570	1.3
123.11671	1.0
127.03928	23.8
131.00266	1.1
133.10146	1.2
137.05931	1.0
141.12752	2.2
141.57098	0.8
145.04967	38.0
159.10208	9.4
161.09598	1.4
163.06020	7.2
163.11240	1.4
167.07082	1.0
170.99649	1.0
219.01720	2.5
237.07962	1.7
248.06210	1.2
250.08009	1.2
257.06686	1.0
338.07312	1.1
339.13943	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	338.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34806	0.3
50.78691	0.3
53.03955	1.7
55.01871	2.5
55.05509	0.6
55.94553	0.3
56.05041	2.4
56.96575	2.6
57.03443	4.5
59.05012	0.6
60.05645	0.4
61.02654	0.4
61.02936	6.9
67.05521	0.3
67.19083	0.3
69.03433	16.0
69.07060	0.4
70.03758	0.8
70.04168	1.4
70.06590	2.1
70.98135	0.7
71.01337	0.5
71.05004	1.8
72.04525	0.5
72.08147	0.5
73.02924	4.2
73.82201	0.4
74.06086	9.3
81.03422	6.9
81.07059	0.3
83.01346	0.7
83.04977	0.6
84.08138	0.4
85.02912	40.8
85.06561	1.0
86.03261	0.7
86.06046	0.4
86.09695	0.8
87.04478	3.0
88.07631	3.4
89.55317	0.3
91.03963	3.0
95.05013	0.6
95.75304	0.3
97.02898	16.4
97.06501	0.6
98.03249	0.4
98.20797	0.5
98.97595	4.0
99.04471	3.1
99.97897	0.4
101.00907	1.8
105.03396	0.6
109.02899	4.4
110.97594	1.1
111.04469	0.5
112.11259	1.9
115.02405	0.4
115.03997	0.6
116.98631	2.0
119.01918	2.8
120.01992	0.5
121.01695	0.5
127.02458	0.7
127.03927	10.7
128.04163	0.3
128.98647	1.4
130.12288	98.7
131.01904	1.3
131.96196	0.4
133.03494	0.8
134.99675	0.5
137.06013	0.5
140.10747	0.4
143.01912	2.8
144.01999	0.4
145.01706	0.6
145.03500	2.3
145.04976	7.7
146.03615	1.1
146.99683	0.8
153.01929	0.5
155.01912	1.8
156.01991	0.7
157.03470	1.2
158.03989	0.4
158.06029	1.4
158.08122	0.5
158.11769	1.4
158.99706	1.0
159.03227	0.6
159.06636	0.3
161.02986	1.5
161.06639	0.5
163.02748	0.6
163.90355	0.4
166.54976	0.6
166.56342	2.0
167.04454	2.3
167.05687	1.3
169.03503	0.6
171.03618	0.4
171.05028	1.7
172.05118	0.4
173.02998	1.6
174.03082	0.5
174.04491	0.5
174.99022	0.7
175.02747	0.5
175.04488	0.6
175.99539	0.8
176.07306	2.0
176.12834	100.0
177.00734	1.0
177.04227	0.4
180.27611	0.3
183.04976	0.7
185.02937	2.2
185.06613	2.9
186.03200	0.4
186.06767	0.4
187.04507	0.6
189.06076	1.3
189.97360	0.5
191.03990	0.6
193.00168	0.4
197.02913	1.3
197.04779	0.5
197.06662	0.8
200.12727	0.4
201.00739	0.5
201.06181	0.5
203.04012	0.9
203.07684	1.1
213.06070	1.0
215.03941	0.6
218.02132	0.8
219.01801	1.0
221.05042	1.6
222.05183	0.7
223.04747	0.4
227.04100	0.7
231.07155	4.1
232.07274	0.5
233.06975	0.5
237.02740	0.7
243.07195	0.8
244.99785	0.5
245.05089	5.8
246.05324	0.8
248.07437	4.2
248.57755	0.6
256.59634	0.5
257.05594	0.3
257.07858	2.5
261.08334	0.5
263.00732	0.7
263.06161	1.2
264.01056	1.1
273.08096	1.4
273.97382	0.5
275.06076	1.1
287.09860	0.6
290.11612	0.4
291.98236	0.5
292.17661	0.7
302.15915	0.7
305.07327	0.5
305.10776	0.7
320.16895	0.6
333.10739	1.8
338.09827	2.0
338.13556	1.3
338.18082	11.7
351.10309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.9
55.30531	3.2
57.03432	6.6
59.47000	3.2
61.02930	51.3
69.03421	7.5
70.58337	10.8
71.01355	3.4
73.02920	22.0
73.57835	3.1
74.57588	3.2
81.07078	5.5
83.01320	3.7
83.91254	3.1
85.02431	5.4
85.02916	68.6
91.03963	63.8
91.04523	4.2
93.07004	3.7
95.01337	41.2
95.08621	8.0
95.57284	3.1
96.01329	3.4
97.02895	34.3
99.04432	4.2
101.02406	4.8
103.03937	11.5
105.23850	3.7
109.10164	5.0
115.03935	4.5
127.03935	28.6
141.01842	100.0
145.04977	36.8
159.02910	13.3
163.06042	29.7
189.11006	3.3
339.12195	3.7
341.92453	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	339.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52684	4.1
61.02927	50.8
61.06451	3.9
62.68740	3.7
69.03418	7.5
69.38619	29.8
73.02926	30.1
81.03415	4.6
85.02906	83.7
91.03964	60.2
91.05437	5.4
95.01323	38.5
97.02885	41.6
98.21534	8.7
127.03925	29.8
141.01836	100.0
145.04965	34.3
159.02902	11.3
163.06026	29.9
168.23119	3.7
178.37164	4.0
180.75856	3.6
229.80296	4.4
294.05145	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	339.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.8
56.96571	10.2
57.07058	12.0
61.02928	30.0
64.71638	3.5
67.05505	6.3
69.03418	7.0
69.07084	5.6
70.06093	9.5
70.06510	8.3
73.02921	15.9
77.43511	4.0
79.05502	7.8
81.03422	4.4
81.07063	9.6
82.71432	4.3
83.04965	4.9
83.08611	4.5
85.02480	5.4
85.02908	43.2
91.03957	32.6
91.05479	10.9
93.07050	10.0
95.01356	27.1
95.08609	9.8
97.02888	30.2
97.06522	3.9
97.35278	3.7
98.97576	31.6
103.03976	6.1
105.07024	14.5
107.08581	8.9
109.02848	5.9
109.06493	4.8
109.10147	9.6
110.80122	3.9
113.09885	3.6
116.98631	20.6
119.08578	23.7
121.06487	4.3
121.10140	31.0
127.03912	12.3
133.10107	19.8
135.11717	4.6
141.01839	63.4
145.03995	4.5
145.04942	20.9
147.11705	24.1
151.11278	4.5
157.10135	7.4
159.02899	10.5
163.06023	20.6
175.11179	11.1
187.87350	3.9
193.96735	3.9
207.58859	3.7
274.97452	32.0
283.16928	100.0
292.98599	15.5
297.98956	5.3
339.14774	9.3
339.19623	5.2
339.23529	25.5
339.27100	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.7
57.07071	3.5
59.53007	1.9
61.02929	42.7
67.05493	2.9
69.03413	7.2
69.32822	16.0
71.01353	2.3
72.49471	2.2
73.02922	15.3
74.77426	2.0
81.03412	4.0
81.07044	6.2
85.02912	72.1
91.03956	43.7
93.07040	2.8
95.01333	32.5
95.08595	4.5
97.02897	37.0
99.00787	4.5
101.02388	3.1
103.03942	5.2
105.69390	2.3
106.99442	2.2
109.10140	3.2
113.02377	4.7
115.03918	5.5
119.00781	2.1
119.08575	5.6
121.10139	6.0
127.03931	21.4
133.10118	6.8
141.00740	5.0
141.01836	100.0
145.04980	28.1
147.11679	2.5
159.02867	9.9
161.13123	2.4
163.06021	24.1
175.11168	3.3
189.54535	2.2
283.16916	20.7
339.22928	4.6
339.27203	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	339.092
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03437	9.4
61.02923	51.3
69.03439	4.9
73.02930	20.1
81.03436	4.5
84.38348	4.0
85.02414	7.4
85.02904	71.5
91.03957	56.9
91.92258	4.4
95.01322	36.5
95.89095	4.1
97.02894	40.1
101.02401	4.4
109.67495	3.7
113.02345	5.9
127.03938	25.0
127.63981	3.5
141.01826	100.0
145.04965	29.2
159.02925	13.8
163.06027	32.5
182.63184	4.6
229.06789	4.7
234.33220	4.5
248.28258	4.4
263.01633	3.9
264.40509	4.1
309.20596	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	339.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01869	6.1
55.05505	18.0
57.03414	14.6
57.07065	10.0
58.83291	4.5
61.02935	41.1
67.05512	28.6
69.03423	27.0
69.07072	34.7
69.70020	8.6
69.70429	23.2
71.04995	12.5
73.02921	23.5
79.05486	20.8
81.03403	14.8
81.07056	75.5
82.49845	4.2
83.04971	13.1
83.08601	16.4
85.02909	77.2
85.06545	6.2
91.03953	57.5
91.05495	22.6
93.07046	42.6
95.01335	31.6
95.04964	12.8
95.08620	54.1
97.02888	39.8
97.06515	9.5
97.10157	17.3
99.04443	12.5
103.03969	8.4
105.07024	36.5
105.84106	4.7
107.04929	4.6
107.08597	42.9
109.02872	10.4
109.06543	10.8
109.10162	38.3
111.08080	10.5
113.09700	5.4
115.03932	6.5
117.03361	11.3
117.07018	5.0
119.08597	23.1
121.02864	9.3
121.06484	9.2
121.10118	33.8
121.36132	4.5
123.04431	5.7
123.08034	6.4
123.11700	19.8
124.47140	4.7
125.09653	7.1
127.03937	29.9
127.07598	5.5
127.11230	4.5
129.06998	7.2
131.08600	14.5
133.10120	21.2
135.08052	8.3
135.11676	16.9
137.05946	19.8
137.09627	10.8
137.13258	9.3
139.11203	8.5
141.01819	100.0
143.08546	13.2
145.02856	27.7
145.04970	29.4
145.10153	11.4
147.11674	18.2
149.05978	9.4
149.13254	16.0
151.11197	8.6
155.10658	6.6
157.10104	8.0
157.27217	4.6
159.02901	7.1
159.08032	7.2
159.11676	9.6
161.09555	12.2
161.13191	7.6
163.06006	31.9
163.07335	6.4
163.11124	6.6
165.09052	6.1
165.12732	10.5
167.10663	7.7
171.11765	10.1
173.09674	5.6
173.13268	7.9
175.11038	5.7
175.14825	7.5
177.05446	60.4
177.09183	9.1
187.14877	5.4
190.07750	7.2
191.08513	7.5
191.17874	5.9
201.16309	8.6
218.07159	9.1
219.08002	10.4
235.07542	8.6
247.07578	13.6
260.43915	5.1
263.06909	7.6
264.07849	9.4
265.08405	5.6
279.10254	15.9
285.22134	7.2
292.07364	6.6
303.19717	8.9
303.23181	17.2
307.09637	29.1
311.12689	10.4
321.17044	9.4
321.20679	8.6
321.24283	20.6
324.09921	6.4
332.44772	4.7
339.08862	7.3
339.12335	71.9
339.16754	6.9
339.18246	11.1
339.22601	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	339.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86403	3.6
61.02681	4.2
61.02932	38.6
69.03436	9.2
73.02917	22.2
73.74915	3.4
83.01338	4.2
85.02910	71.3
91.03961	50.3
92.01469	3.9
95.01333	31.7
97.02901	42.1
103.86726	3.8
109.10204	3.8
115.03936	5.5
124.04247	4.1
125.08533	4.6
127.03892	21.7
133.11238	3.7
141.01828	100.0
145.04970	25.0
159.02893	9.7
163.06026	17.0
184.70531	3.8
361.06641	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	339.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.5
60.81299	3.2
61.02930	48.4
67.05505	5.1
69.03428	9.0
69.07057	3.7
73.02917	25.1
81.03442	5.5
81.07072	7.2
85.02440	4.5
85.02917	79.1
91.03960	54.3
91.05492	4.4
95.01334	36.0
95.08588	3.3
97.02890	37.3
99.00833	3.6
99.04434	5.4
103.03929	5.5
111.04462	2.9
113.02287	3.0
115.03911	6.0
127.03928	24.0
139.03915	4.5
141.01843	100.0
144.26614	3.4
145.04968	36.6
147.11667	3.3
158.10989	2.8
159.02870	9.6
163.06030	32.9
178.81235	3.8
180.34961	2.9
186.73862	2.9
189.11298	3.6
318.54688	3.3
322.54309	3.3
339.12540	3.6
359.80283	3.3
362.64325	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	339.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61985	3.9
55.01848	3.9
55.05487	4.9
57.03424	6.0
61.02929	45.8
67.05524	8.1
69.03413	11.5
69.07063	8.0
69.38671	24.6
70.04073	5.0
71.04974	3.7
73.02922	25.1
79.05482	6.1
81.03413	7.6
81.07046	16.0
83.04962	4.9
85.02448	5.3
85.02910	78.0
91.03960	58.4
91.05484	4.1
92.97137	3.6
93.07058	6.4
95.01329	37.5
95.04943	4.0
95.08607	7.5
97.02892	41.0
97.10172	6.8
97.76121	3.8
99.00832	3.7
103.03927	10.0
105.07045	9.1
107.08573	9.8
109.10196	9.1
110.03323	4.1
113.02356	5.9
115.03921	4.2
119.08541	4.7
123.11683	6.2
127.03918	31.6
131.03410	4.0
131.81274	4.2
133.10086	7.5
135.08002	3.4
135.11681	4.5
139.03848	4.3
141.01834	100.0
142.83469	3.8
145.04961	33.8
159.02869	11.0
163.05989	32.1
163.35515	3.9
182.97945	3.7
189.06598	3.4
243.52933	3.9
295.09515	3.6
303.22977	4.1
307.09567	5.4
311.13159	4.1
339.12283	12.7
339.17722	9.6
363.96912	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	339.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.5
57.03436	6.1
59.46656	3.0
61.02924	35.2
65.23036	3.0
69.03424	9.1
71.04465	8.2
71.04961	3.9
73.02912	23.5
81.03425	4.5
85.02440	4.2
85.02906	61.8
90.89008	3.5
91.03959	47.6
93.07072	5.2
95.01315	32.2
95.08601	5.3
97.02898	34.3
101.02371	4.1
103.03941	6.0
113.02386	5.5
127.03898	25.3
135.52176	3.8
141.00746	5.0
141.01833	85.3
145.04935	31.7
159.02888	13.5
163.06020	29.7
174.59723	3.4
259.02374	3.6
339.17831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
57.03422	10.1
58.56379	2.3
61.02656	3.4
61.02936	48.0
67.05494	4.6
69.03413	8.3
69.07058	6.7
69.42607	3.3
69.43017	15.2
71.01382	3.2
71.04994	4.2
73.02579	2.9
73.02916	20.5
79.05476	5.4
81.03409	5.5
81.07045	11.2
85.02912	70.7
91.03967	53.2
91.05486	6.8
93.07029	8.4
95.00766	3.1
95.01335	39.0
95.04982	3.2
95.08584	7.1
95.92119	2.2
97.02895	39.0
97.06563	3.8
97.10182	6.1
99.00793	4.1
99.04469	4.1
101.02361	3.1
103.03961	6.2
105.07036	6.9
107.08607	5.3
109.02834	2.9
109.10146	6.9
113.02350	3.4
115.03933	2.7
119.03599	2.4
119.08636	4.8
121.10137	5.8
127.03230	2.4
127.03934	24.7
131.08568	2.9
133.10136	7.8
137.05977	3.9
139.03827	2.7
141.01833	100.0
145.04964	26.2
147.11687	4.3
149.06033	3.4
151.11188	2.8
159.02878	7.7
163.06036	26.5
175.27095	2.3
177.05437	7.1
209.49951	2.6
247.07678	3.8
255.76297	2.8
277.08298	2.6
307.09677	3.8
339.12213	10.4
339.17789	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	339.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
56.96561	1.0
69.03426	1.2
70.68050	0.4
70.85692	1.2
71.04976	0.4
79.60222	0.4
81.03430	0.6
81.07043	0.5
83.04966	0.5
85.02918	2.3
97.02890	1.3
98.97577	2.1
116.98650	1.1
123.04399	0.7
127.03919	1.1
133.71022	0.4
137.05954	0.9
145.05014	0.7
147.04433	1.0
153.01952	0.5
158.99646	0.6
166.32314	0.4
177.00621	0.5
177.05324	0.9
178.74065	0.4
185.04214	1.0
190.70894	0.4
195.05077	0.9
213.06163	0.7
219.01778	0.8
263.71176	0.5
282.56433	0.6
291.07474	0.5
291.18408	0.4
294.05847	0.5
309.08176	0.7
321.14401	0.7
339.10547	100.0
340.10931	0.9
357.10086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05500	1.9
56.96554	2.5
57.03436	1.1
57.07068	0.8
61.02901	1.1
64.02975	0.8
65.03917	1.1
67.05511	4.3
69.03413	3.5
69.07059	2.0
69.47204	6.2
69.52545	0.8
70.06581	1.6
71.05008	5.4
72.79158	0.8
73.02899	3.7
79.05489	5.8
81.03408	3.3
81.07060	13.1
83.05000	1.2
85.02904	7.5
85.06543	3.5
91.03944	1.6
91.05486	6.8
93.05747	1.0
93.07047	2.9
94.06557	3.1
95.04995	1.2
95.08601	1.6
96.04509	1.4
96.08110	2.4
97.02367	0.8
97.02884	4.2
97.06507	1.9
98.97577	5.7
105.07001	1.5
106.06575	1.2
107.04945	1.7
108.08109	2.2
109.02882	1.3
109.06535	1.2
109.10088	0.9
110.06053	9.2
110.97556	1.4
111.04466	1.1
112.07660	0.9
112.99115	0.9
116.98624	2.1
117.93270	0.9
119.04942	12.5
120.04467	2.4
122.06024	20.8
123.04455	1.8
123.06818	2.9
123.11710	0.9
124.07594	19.7
126.05504	1.0
127.03895	2.9
128.98653	0.9
130.01746	0.8
130.08591	0.9
131.04958	1.4
133.06465	1.1
134.06013	16.8
136.07582	84.3
137.05946	1.1
138.05504	3.2
140.07086	6.5
141.09117	1.7
141.12744	8.1
142.09476	1.8
145.02817	1.9
145.04958	1.2
147.04416	50.1
149.06004	1.0
150.05504	8.5
152.07069	93.5
154.08620	3.0
158.08157	1.2
158.99640	1.5
159.13815	5.2
161.05971	1.5
163.03897	1.7
163.08688	1.0
164.07069	100.0
166.08641	1.2
167.07094	1.4
168.06500	4.1
170.08134	17.5
172.11226	1.2
173.95569	0.8
175.07500	1.0
177.00728	1.6
177.05373	8.4
177.14813	2.3
178.04999	3.4
182.08131	28.8
184.09671	1.8
200.10754	1.6
214.12288	1.4
219.01836	1.1
232.13251	1.2
237.02660	1.7
242.11795	2.0
243.11104	0.9
249.05312	1.3
249.07704	1.7
260.12866	4.7
285.12393	2.5
295.16556	1.4
303.13403	55.7
321.10995	1.5
321.14493	18.1
339.10614	10.6
339.15488	7.2
340.13834	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	339.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.7
56.96562	1.2
57.03424	1.5
57.07051	2.5
59.04986	1.4
61.02904	1.5
67.05508	28.7
69.03421	3.1
69.07072	2.5
69.97926	3.7
71.04995	67.4
71.08627	1.6
79.05493	4.0
81.03420	2.0
81.07059	71.6
83.08606	2.1
83.51606	1.0
85.02912	8.4
85.06081	1.2
85.06546	19.1
95.08621	8.4
97.02898	2.7
97.10178	1.3
98.21424	1.2
98.97588	2.5
99.08090	2.4
106.95499	1.1
109.02882	1.4
110.06014	1.8
119.04906	1.3
122.06055	5.2
123.11715	16.8
127.03928	2.3
127.36809	1.0
136.07574	4.9
141.12746	100.0
147.04411	2.9
150.05484	3.2
152.07060	1.2
154.08612	3.6
159.13812	67.1
164.07054	3.4
168.06573	1.1
177.05424	1.2
177.13435	2.1
177.14873	30.2
182.08083	3.4
219.01772	1.4
243.95058	1.2
275.10739	1.1
279.10718	1.1
303.09619	1.1
303.13315	1.1
307.09518	1.4
321.14374	3.0
339.12204	2.3
339.15601	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	340.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.96564	1.3
57.03429	1.0
59.50303	0.7
62.06068	0.7
69.03434	3.7
71.04989	0.7
71.53313	0.8
71.53747	0.8
81.03407	2.6
81.29525	0.7
83.04958	0.9
84.96017	0.8
85.02894	5.7
97.02895	3.7
98.97595	3.3
101.06003	1.2
109.02882	1.7
110.07151	2.0
111.04486	0.9
116.98598	1.0
120.08118	1.7
123.04314	0.8
127.03923	2.5
136.07581	1.6
143.07033	2.3
145.04933	1.2
158.99626	1.0
160.07623	5.9
166.04990	0.9
170.99681	0.8
172.07603	0.8
174.09149	1.0
177.00650	1.0
178.05035	1.8
178.08669	5.9
179.03461	1.3
187.54131	1.7
202.08655	2.0
206.86731	0.7
212.95134	0.6
219.01720	1.0
220.09720	1.4
237.02762	1.9
286.10645	0.8
304.11826	0.8
322.12833	1.6
340.10068	100.0
340.13681	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	340.1028
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03954	0.4
55.01873	0.2
55.05501	0.2
57.03425	0.5
61.02940	1.1
61.57013	0.1
69.03439	2.5
70.63764	0.3
71.04998	0.3
73.02911	0.4
74.58209	0.1
74.94852	0.1
81.03425	1.2
84.04406	0.1
85.02910	5.8
87.04452	0.4
91.03926	0.3
91.21763	0.1
94.06584	0.2
97.02895	2.3
97.10178	0.2
98.21440	0.2
99.04441	0.2
104.05009	0.8
109.02875	0.7
122.06010	0.5
125.09592	0.2
127.03915	1.3
132.04469	4.8
143.10686	0.5
145.04977	0.8
154.21492	0.1
157.22047	0.2
160.03976	0.4
160.07602	0.3
178.05003	100.0
179.05342	0.6
185.73145	0.2
340.10175	1.4
340.13708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0873
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02377	0.2
53.03952	0.2
55.01889	0.2
56.96551	0.2
57.03435	0.3
59.05002	0.2
61.02918	0.4
61.97533	0.2
67.05492	0.3
69.03435	1.2
69.71961	0.4
69.72375	0.5
71.09692	0.2
73.02914	0.2
77.03954	0.2
79.05490	0.3
81.03407	0.5
81.07044	0.2
85.02921	2.2
87.04448	0.3
89.03929	0.6
93.07037	0.4
95.04958	0.2
97.02914	1.3
98.97576	0.6
99.04448	0.5
105.03413	0.5
107.04950	0.2
109.02882	0.6
113.03461	0.3
115.80595	0.2
117.03435	0.2
123.04443	8.8
123.05334	0.4
127.03925	0.7
131.05014	0.2
132.99490	0.3
133.02873	7.5
135.04439	1.7
136.07629	0.2
137.05946	1.1
139.03893	0.2
144.05568	0.2
145.04967	0.3
147.04428	0.4
151.03922	4.4
153.01817	0.3
161.02422	0.4
161.06035	0.3
166.94502	0.2
167.07056	0.3
175.07562	0.2
178.04948	0.3
179.03413	100.0
180.03737	0.6
187.07573	0.3
202.74557	0.2
217.08505	0.3
219.01747	0.2
248.08231	0.2
251.56396	0.2
270.08948	0.2
277.08572	0.2
291.10266	0.5
307.25787	0.2
311.12802	0.2
323.12457	0.6
341.08563	1.7
341.12347	2.4
341.17487	0.2
359.02600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00882	0.4
71.03993	0.9
85.02933	0.4
117.09133	1.0
117.61065	0.3
117.61906	0.4
155.95413	0.4
163.09657	0.4
174.50255	0.4
180.06343	100.0
181.06651	0.6
185.04253	0.8
324.68915	0.4
330.22342	0.4
342.11612	36.7
357.57486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.8
61.02942	0.9
62.06068	0.5
69.03429	3.0
70.06588	0.5
71.13567	0.4
72.08133	0.5
73.02934	0.6
76.56057	0.4
81.03403	0.5
82.51963	0.4
85.02906	5.8
85.55184	0.5
87.04446	1.0
91.03951	0.4
95.98962	0.4
97.02888	3.1
101.00878	0.8
104.07076	1.6
109.02888	0.8
119.01947	0.6
127.03938	2.1
143.01955	0.6
145.04970	1.3
150.41452	0.4
161.02939	0.6
162.07835	0.4
167.01907	0.5
173.03017	0.7
179.05713	0.4
179.55301	1.1
180.06326	100.0
181.06593	0.6
183.05063	0.6
185.04233	0.5
203.03973	0.5
207.55750	0.4
214.05618	0.7
224.07132	0.4
237.35709	0.4
251.57498	1.2
252.58125	0.6
260.58041	0.5
340.09253	0.6
342.11667	50.4
343.12033	0.6
358.09952	1.1
359.11731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1397
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
53.03937	1.7
55.01868	1.2
57.03460	4.2
61.02937	39.3
69.03441	11.9
70.97593	1.4
70.97921	1.5
71.05008	1.4
73.02927	14.2
77.44199	0.8
77.98747	1.0
79.05513	0.9
81.03440	5.6
85.02917	100.0
87.04490	1.6
91.03973	50.2
96.04501	1.5
97.02906	39.8
99.04475	5.1
101.02387	1.2
103.03949	1.7
104.94873	1.0
109.02893	4.7
114.87949	0.8
115.03939	4.0
127.03937	30.6
144.06587	1.2
145.04982	41.5
146.82635	0.9
163.06049	40.7
180.08694	2.6
325.11426	1.7
342.13873	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	342.1394
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
50.62658	1.7
51.35553	1.6
55.01876	2.0
56.72906	1.6
57.03426	4.9
61.02925	43.1
67.05518	2.7
69.03424	11.0
71.04990	2.9
73.02917	13.8
79.05482	1.9
81.03404	5.9
81.07040	2.7
84.25119	1.7
85.02905	100.0
87.04472	2.4
91.03953	55.1
93.07055	2.4
95.08598	2.4
97.02895	38.3
99.04447	6.8
107.08610	2.3
109.02873	5.1
115.03912	3.7
119.08602	2.5
127.03915	29.8
145.04958	46.5
145.10211	1.6
163.06013	35.1
180.08588	2.0
255.09010	4.5
267.08942	5.0
285.10043	6.3
342.13913	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	342.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97092	1.3
55.01846	2.1
55.05494	1.8
56.96561	2.0
57.03429	5.6
61.02928	39.2
67.05518	2.0
69.03429	13.9
71.04993	3.7
71.53519	2.0
71.65216	1.5
73.02914	17.3
75.49783	1.4
79.05495	2.0
79.18002	1.8
81.03405	5.1
81.07034	1.6
85.02904	100.0
87.04494	2.1
89.58056	1.4
91.03959	52.5
91.04530	3.2
91.05476	1.8
93.07059	2.6
97.02885	37.8
99.04437	4.3
109.02871	5.7
115.03923	3.5
117.05458	2.0
127.03906	30.1
133.89948	1.6
135.11736	2.6
137.05913	1.7
138.06201	1.7
145.04968	52.7
163.06021	50.1
178.08658	2.0
237.08058	1.6
255.09001	4.0
255.15982	2.1
267.09058	4.6
273.10107	2.5
285.10052	7.2
313.14264	1.8
342.13712	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
56.96560	1.2
57.03443	6.4
59.08788	0.6
61.02917	2.8
69.03447	4.3
69.07076	0.8
69.74379	3.4
71.04995	2.8
71.08637	1.3
71.28133	0.7
73.02895	1.1
79.05503	1.3
79.14931	0.8
81.03420	2.6
81.07057	3.1
85.02921	15.4
85.06544	1.9
85.62655	0.7
87.04452	1.5
87.13544	0.6
91.03947	1.1
96.51544	0.6
97.02878	5.7
98.97573	2.4
99.04478	0.6
99.08102	13.5
101.06010	0.9
109.02896	1.1
109.06546	2.8
116.98657	0.9
117.09143	100.0
127.03915	4.7
127.07561	4.3
129.06703	0.7
134.06047	1.2
137.06000	1.3
138.06377	0.8
145.05000	3.3
152.07066	1.2
162.05489	4.0
163.06186	0.9
163.09669	16.0
178.08670	0.9
179.19711	0.7
180.03804	1.0
180.06480	5.2
342.11896	3.0
343.13702	2.1
361.81879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25139	0.7
55.05518	7.1
57.03436	1.4
57.07086	12.2
61.02926	2.0
65.97755	0.7
69.03435	2.5
69.26832	4.9
69.27236	1.9
70.06607	1.8
81.03424	1.9
83.08632	2.2
85.02916	13.3
86.09663	0.7
89.06045	30.3
89.21260	0.7
91.07962	0.9
92.86010	0.9
97.02898	3.4
98.97616	1.2
101.09668	15.7
107.07082	31.9
109.02890	1.3
120.35234	0.8
127.03930	3.1
131.00009	0.7
137.06000	1.6
143.40036	0.8
145.04945	3.0
155.05739	0.7
163.13316	100.0
180.10175	1.0
191.21364	0.8
272.88516	1.0
293.99753	0.8
307.11774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53447	0.5
69.39982	1.6
69.40392	3.2
98.97590	4.1
101.44685	0.6
101.87766	0.6
116.98587	1.3
119.01965	1.0
177.01035	4.0
183.00052	0.9
192.98805	0.7
198.97888	1.9
201.00926	1.1
216.98914	5.7
219.02025	8.6
220.02179	1.8
221.01649	0.8
222.97992	1.9
234.96490	0.8
234.99959	6.9
240.98961	13.7
243.01918	1.2
253.01164	0.7
259.00037	34.5
260.00098	2.8
261.00436	1.1
261.03070	7.8
262.03287	0.8
264.98737	3.8
273.98660	1.5
276.98196	0.8
277.01080	14.0
278.01065	1.3
283.00015	100.0
284.00101	6.6
284.99960	0.9
301.01071	88.6
302.01205	6.4
303.01541	0.8
318.98560	2.7
319.02222	2.4
319.97818	1.4
320.02109	0.7
324.02740	2.1
325.01044	19.0
326.01233	0.9
337.98871	1.0
343.02151	75.8
344.02176	3.0
360.99536	1.2
361.03275	13.3
366.03693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0447
Annotation	Irisoid E
Peak:m/z	Relative Intensity
65.35627	0.4
70.92688	0.9
74.48801	0.5
81.07043	0.5
91.05461	0.6
93.07068	0.5
95.08633	0.5
109.10094	0.4
115.05447	0.7
118.06647	0.4
119.08660	0.5
133.06491	0.6
158.03456	0.5
173.05957	1.1
184.88643	0.4
186.03120	0.9
199.03804	0.9
201.01906	0.8
201.05511	2.3
214.02547	2.5
222.72330	0.5
228.04170	0.7
229.01366	1.6
229.04948	3.0
241.01332	1.5
242.02017	5.3
256.03549	0.8
257.00717	1.2
257.04361	0.5
269.00827	2.1
270.01578	2.4
271.12375	0.8
272.03244	0.8
282.01602	0.9
283.02280	1.0
284.03198	1.5
285.00345	4.0
285.03946	10.0
297.00269	1.0
298.01111	1.5
299.01852	2.9
300.02637	0.6
310.01068	2.0
312.02652	2.3
312.99762	19.4
313.03439	18.2
314.00604	0.8
327.01364	5.2
328.02136	33.1
329.02460	0.6
342.28949	1.0
343.04486	100.0
344.04819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
51.27839	1.3
54.25763	1.4
55.01871	1.8
55.05496	2.2
56.96571	2.5
67.05497	4.5
69.03429	3.6
69.07057	5.5
79.05489	4.1
81.06659	1.4
81.07072	11.2
83.08630	3.4
85.02895	4.8
85.06558	2.0
91.05478	4.8
93.07046	6.8
95.04951	4.0
95.08593	6.1
97.02907	2.9
97.06523	2.2
98.97594	1.6
103.05489	11.8
105.07050	17.3
107.04967	6.1
107.08586	4.6
109.06520	4.6
109.10148	4.2
115.05434	5.0
117.07003	2.2
119.08530	3.9
119.39897	1.4
121.10148	4.8
122.03644	2.1
123.04401	2.7
123.08041	2.6
123.11649	2.0
129.07018	2.8
131.04944	18.6
131.08516	1.7
133.06493	9.3
133.10167	2.8
135.08023	2.7
135.11685	3.9
137.05994	25.9
137.09642	2.7
137.13237	2.1
139.03926	9.7
141.07005	3.2
145.06439	1.9
145.10175	2.3
146.03619	9.1
147.04379	3.7
148.31644	1.4
149.05988	2.8
151.03902	1.5
151.07591	6.8
159.11697	2.2
160.05296	2.3
161.06004	100.0
162.06525	2.1
163.07567	41.0
163.11176	5.6
165.07053	2.4
169.06462	2.9
175.07576	45.8
176.06171	1.5
177.06987	2.2
177.09087	1.8
178.07730	2.7
179.08530	6.1
181.06476	2.7
181.08667	2.0
181.12170	2.5
187.07657	1.9
189.07175	1.8
189.09045	2.0
190.07797	5.3
191.03456	2.4
194.07291	7.6
195.07942	3.2
203.08472	2.4
204.09291	2.1
205.06602	7.2
205.10172	9.9
206.07161	2.2
207.08078	7.7
208.08836	2.1
209.05984	2.7
209.09685	2.3
211.07549	1.7
215.08591	4.1
218.07246	5.4
219.08101	3.0
219.10068	2.2
221.05977	4.2
221.09628	3.4
222.06781	8.5
223.07574	2.6
224.08363	6.3
225.08990	1.6
232.08812	3.8
233.05997	2.8
233.09627	16.1
234.06940	3.3
234.10262	2.3
235.07526	10.2
236.08302	3.5
237.05508	4.9
237.09148	14.4
239.10759	2.3
241.08604	3.6
247.07628	3.1
249.05501	1.7
249.09129	4.1
250.06288	8.5
250.09932	6.9
251.07033	4.0
251.10754	1.7
252.07817	6.0
253.08635	3.0
254.09360	1.9
260.08319	2.9
261.09085	13.4
262.09860	3.5
263.07028	4.9
264.07825	5.1
265.08621	43.6
265.12247	10.1
266.09360	3.1
267.06509	1.5
267.10144	10.5
269.08087	5.8
277.08694	3.7
278.09494	11.9
279.10172	5.4
281.08032	2.5
282.08942	4.2
283.09558	1.9
284.10483	6.9
293.11761	29.8
294.12604	1.7
295.09695	3.3
296.10452	3.3
297.11264	22.8
299.12845	15.5
310.11984	3.5
311.09189	3.0
311.12811	62.9
312.13739	1.7
325.14417	16.5
343.11826	4.6
343.15411	55.8
343.22015	2.5
357.83951	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01860	1.2
67.05488	1.9
69.07051	3.5
69.42966	6.0
69.90531	0.8
70.70673	0.9
79.05490	3.0
81.07057	6.0
91.05495	5.4
94.04214	0.9
95.04958	1.2
95.08590	3.8
98.20752	1.5
103.05464	15.6
105.06390	1.4
105.07033	14.0
107.04961	5.6
107.08592	2.5
109.06513	3.7
109.10181	1.0
115.05431	5.3
117.07012	1.0
118.04131	0.9
119.04948	1.3
119.08588	1.7
119.22861	0.8
121.10155	1.1
122.03644	0.9
129.07007	1.1
131.04021	1.7
131.04936	18.4
133.06508	8.0
133.10149	1.8
135.08113	2.0
135.11719	1.4
137.05978	28.3
141.06992	2.3
143.06068	1.1
146.03627	10.0
147.04405	1.9
149.05952	3.6
151.07536	7.9
158.07303	1.6
160.05206	1.2
161.05986	100.0
162.06708	1.7
163.07545	46.0
165.07007	2.3
166.07834	1.8
167.08580	1.4
169.06512	3.2
173.09642	1.5
175.07553	39.5
177.05614	1.1
177.07059	1.4
177.09125	1.1
178.07806	1.8
179.08568	5.7
181.06450	2.6
181.08514	2.0
189.07018	2.3
190.07730	5.5
191.08565	2.1
193.06517	1.2
193.10040	1.0
194.07333	7.6
195.08041	2.3
196.08801	1.3
201.09161	3.0
202.07727	1.3
203.08569	3.4
204.09383	1.1
205.06496	6.9
205.10172	10.5
207.08098	7.8
208.08829	2.1
209.06049	1.4
209.09612	3.5
210.06688	1.3
211.07576	1.0
215.08554	4.2
217.06490	1.0
218.07338	5.0
219.08061	3.5
219.09995	1.6
221.06032	6.5
221.09616	3.8
222.06778	9.8
222.10361	3.2
223.07549	3.4
224.08360	6.6
225.09027	1.9
231.07988	1.9
232.08846	2.9
233.05971	3.1
233.09622	14.8
234.06734	2.9
234.10431	3.8
235.07530	11.0
236.08331	3.1
237.05476	3.9
237.09088	14.7
238.06149	1.4
239.07167	2.1
239.10657	4.2
240.08044	1.0
241.08623	2.9
243.08063	1.1
247.07526	1.9
249.05487	3.2
249.09132	3.9
250.06204	10.4
250.09886	8.8
251.07025	2.8
251.10703	1.5
252.07867	5.7
253.08568	3.3
254.09453	2.5
260.08136	1.7
261.09155	12.6
262.09869	2.3
263.07083	4.0
264.07855	4.4
265.08606	39.2
265.12173	8.2
266.08951	1.0
267.06354	0.9
267.07370	1.2
267.10141	10.3
268.10852	0.9
269.08075	8.2
275.10611	1.4
277.08670	2.1
278.09409	11.8
279.10135	3.6
281.08121	2.0
282.08856	4.9
283.09726	1.7
283.13205	2.3
284.10455	7.6
293.11713	29.3
294.12500	2.0
295.09595	3.7
296.10446	1.8
297.11240	27.1
297.14587	1.3
299.12769	18.5
310.12039	4.8
311.12781	65.4
312.13281	2.4
325.10736	1.4
325.14325	14.3
338.04755	1.0
343.15402	57.7
344.15707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
52.54995	1.4
53.03942	2.8
53.43704	1.3
54.94241	1.5
55.01855	2.8
57.03436	1.5
65.03930	3.0
69.03413	3.1
69.64400	1.4
70.12321	1.4
71.04957	2.8
71.53023	1.5
71.53408	2.4
79.05483	5.4
79.71186	1.5
81.03409	2.9
81.07041	3.9
85.02911	4.0
91.05497	16.1
93.07035	3.9
94.04177	1.6
94.58368	1.6
95.04970	3.9
97.02886	2.0
98.97515	1.8
102.04691	4.0
103.04881	2.5
103.05489	22.3
105.03424	2.7
105.07048	13.3
106.04151	5.0
107.04310	2.0
107.04972	31.3
107.08635	2.7
109.06490	3.1
115.05478	14.1
117.06986	4.3
119.04917	5.1
120.05701	1.9
121.06496	6.1
122.03654	5.5
122.07257	6.4
123.04404	3.0
125.05992	2.4
127.81378	1.7
129.07005	3.6
130.04167	8.9
131.04948	19.7
133.06499	13.6
135.08061	9.0
137.05997	99.1
141.06990	5.2
145.06456	2.5
146.03636	9.2
147.04425	17.9
147.08072	3.0
148.08792	2.1
149.06003	8.2
151.03891	3.8
151.07536	11.9
153.09145	2.3
158.07257	2.9
160.05138	3.0
161.06001	62.8
162.06798	28.5
163.07568	49.4
163.11157	3.8
165.06914	2.4
166.07782	3.3
169.06490	3.5
173.09595	2.6
174.06631	1.9
175.07581	54.4
177.05482	3.1
177.09178	10.2
178.07739	2.2
179.08595	1.9
181.05034	9.8
181.06419	3.3
181.08612	12.4
181.12215	3.9
187.07616	2.1
189.09076	1.9
189.86920	1.6
190.07799	4.7
193.08559	2.7
194.07304	4.5
195.08096	2.1
201.09073	5.8
203.08563	2.1
205.06464	6.1
205.10139	6.9
207.08101	7.5
209.05986	1.6
209.09587	4.6
211.07584	3.4
218.07256	5.0
219.08121	4.1
219.10158	18.0
221.06010	3.0
221.09656	2.8
222.06773	8.8
222.10382	2.5
223.07487	3.0
224.08241	4.5
225.08987	2.5
232.08878	2.8
233.05870	3.1
233.09665	14.8
234.10260	2.4
235.07623	8.7
236.08238	4.8
237.05374	2.6
237.09218	11.5
239.06987	2.2
239.10670	3.9
247.07545	2.3
249.09087	3.4
250.06183	6.0
250.09875	5.9
251.06969	4.6
251.10605	2.7
252.07741	3.3
253.08530	2.3
254.09335	3.6
261.09177	9.3
262.09781	2.4
263.07132	2.0
264.07828	3.3
265.08594	25.5
265.12134	6.4
266.09531	2.6
267.10275	8.3
269.08038	8.8
275.10791	1.8
278.09293	4.5
279.10114	2.3
281.08151	3.2
282.08807	6.4
282.12009	2.0
283.13345	2.3
284.10651	8.7
293.11740	23.0
295.09668	4.0
296.10333	2.0
297.11276	45.4
297.14688	3.9
299.12823	43.9
310.11923	6.7
311.12827	100.0
313.14413	2.8
315.15707	1.9
325.10785	2.0
325.14429	27.2
343.15363	54.2
356.45462	1.6
360.11450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
53.03934	2.0
55.01860	3.9
61.52957	1.2
63.99218	1.3
67.05498	2.8
69.03431	2.0
69.07040	1.4
70.02552	1.4
71.04977	1.7
71.27163	2.7
77.93540	1.1
79.05490	11.2
81.03414	2.0
81.07058	2.1
84.27842	1.4
85.02895	2.4
86.09688	1.6
87.04461	1.5
91.05482	17.1
93.07040	4.0
94.04186	2.8
95.04958	2.8
102.04691	5.5
103.05462	18.7
105.03400	2.4
105.07027	18.5
106.04157	3.2
107.04954	34.8
107.08575	2.8
109.06497	3.8
115.05450	13.3
116.06229	1.8
117.03336	1.3
117.06987	5.6
119.04914	4.7
119.08576	2.2
121.06487	4.5
122.03598	5.0
122.07284	8.9
123.04408	2.6
125.05941	1.5
127.03924	1.4
128.06218	1.7
129.06941	2.8
129.22003	1.2
130.04163	9.2
131.04918	18.8
131.08510	1.8
133.06505	11.0
135.08055	8.4
137.05978	92.7
141.06985	4.4
143.04938	2.4
145.06464	4.2
146.03635	7.7
147.04427	14.2
147.08046	4.3
149.06003	8.3
151.03886	4.2
151.07530	12.8
153.05431	2.2
158.07330	1.5
160.05153	1.9
161.05983	63.1
162.06763	30.8
163.07541	51.9
163.11159	3.0
165.06996	3.7
166.07814	2.9
167.07082	1.6
169.06442	3.7
173.09621	4.3
175.07553	49.2
177.05453	2.3
177.09102	7.9
178.07727	3.2
179.06984	1.9
179.08563	4.4
179.10712	1.6
181.05096	8.0
181.06422	2.7
181.08594	13.0
181.12196	3.9
189.09081	4.0
190.07748	6.2
191.08583	3.3
193.06538	1.7
193.08586	4.0
194.07182	6.5
195.08064	2.8
201.09056	5.2
203.08542	2.4
205.06477	4.3
205.10184	7.8
205.11720	1.5
207.08031	7.2
209.05943	2.8
209.09583	3.9
210.06651	1.4
211.07547	2.9
215.08542	2.3
218.07237	4.8
219.08084	3.7
219.10144	22.6
221.05971	3.0
222.06723	6.8
222.10257	1.8
223.07619	3.0
224.08363	4.2
225.09180	2.2
232.08755	2.2
233.05907	3.7
233.09607	15.3
234.06776	2.6
234.10420	2.0
235.07440	9.0
236.08264	2.8
237.05377	2.9
237.09088	13.5
238.09906	1.6
239.07001	2.9
239.10582	4.4
241.08557	1.6
247.07463	1.9
249.05510	1.9
249.09056	4.3
250.06229	4.8
250.09874	5.9
251.07080	3.1
251.10593	2.3
252.07837	4.0
253.08426	3.6
254.09283	4.6
255.10272	1.6
261.09131	9.2
262.09842	2.5
263.06885	2.3
264.07782	5.0
265.05920	2.2
265.08575	24.6
265.12134	8.7
266.09360	1.8
267.07312	1.9
267.10144	11.8
269.07993	8.1
269.11838	1.9
277.08612	2.2
278.09415	4.2
279.10095	3.8
281.08011	3.7
281.11627	1.8
282.08868	9.0
283.09860	1.5
283.13272	3.7
284.10416	8.8
293.11737	20.3
294.11972	2.1
295.09540	3.9
296.10339	2.2
297.07797	3.0
297.11215	50.9
297.14700	4.9
298.11386	1.4
299.12787	47.3
310.11942	5.6
311.12753	100.0
312.13235	2.6
313.14328	3.3
325.14297	28.4
343.15356	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.16916	0.9
55.01865	2.4
55.05508	2.4
57.03437	4.6
57.07075	1.1
59.04986	0.9
61.02937	5.1
67.05509	2.4
69.03434	14.9
69.07068	3.4
69.30979	2.4
69.31396	5.3
71.01342	1.1
71.04993	3.2
72.08223	0.9
73.02917	2.8
74.31051	1.0
79.05497	5.5
81.03429	6.8
81.07059	8.6
83.04977	6.4
85.02910	33.5
87.04471	2.3
91.03959	3.1
91.05490	6.7
93.07052	10.2
94.50915	0.9
95.04967	18.5
95.08622	2.7
97.02897	11.5
97.06508	4.5
98.97604	1.1
99.04460	2.7
101.02384	0.9
103.03919	1.3
105.07048	11.4
107.04988	1.8
107.08607	12.7
109.02903	4.3
109.06538	2.8
109.10143	1.3
115.03960	1.5
116.01662	1.0
117.07052	2.9
119.08600	5.0
121.06501	5.2
121.10152	19.9
123.04430	3.7
123.08073	1.9
125.06009	11.4
127.03928	9.9
129.07053	1.6
130.07809	3.5
133.06496	1.5
133.10127	1.6
135.04370	1.0
135.08092	2.2
135.11691	9.4
137.06012	5.4
142.49397	0.8
143.08595	1.2
145.04965	7.6
145.10124	21.5
147.04396	1.6
147.08070	1.8
148.08849	1.4
149.06001	1.7
151.07486	1.3
161.06003	1.2
161.09616	2.3
163.07559	7.5
163.11189	100.0
165.09126	2.4
167.07080	2.4
170.25452	0.9
173.09605	1.3
175.07608	1.1
175.11206	1.2
181.04977	2.9
181.08598	4.7
181.12233	22.9
183.10251	1.3
191.07095	2.2
205.12251	2.6
251.02820	0.9
297.11172	1.1
307.15466	1.5
332.12799	0.9
343.04745	5.9
343.08060	1.5
343.13452	15.6
343.17529	2.0
344.18713	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01861	2.6
55.05505	1.4
56.96574	0.9
57.03426	4.0
57.07075	1.2
57.97920	0.8
59.06545	0.8
61.02923	4.3
67.05503	2.3
69.03091	1.1
69.03430	15.9
69.07060	1.9
70.06592	1.2
71.04970	3.3
72.08131	1.0
73.02907	2.5
79.05493	6.2
81.03423	6.2
81.07062	8.0
83.04991	6.8
85.02910	31.8
85.06552	1.7
87.04457	2.1
91.03964	1.7
91.05481	5.9
93.07052	11.2
95.04971	17.8
95.08573	2.2
97.02899	11.1
97.06522	4.0
98.97572	1.9
99.04443	1.2
103.05435	1.5
105.07034	10.6
107.04991	1.7
107.08601	12.6
107.33672	0.9
109.02863	2.6
109.06519	4.0
115.03931	1.0
117.05714	0.9
117.07029	3.9
119.08562	4.5
121.06507	3.4
121.09319	1.7
121.10146	22.8
123.04430	2.2
123.08050	2.2
125.06001	11.3
127.03931	7.2
129.07021	1.4
130.07817	4.2
133.06503	2.2
133.10124	2.0
135.08064	2.5
135.11693	8.9
137.05949	3.0
137.09587	1.6
139.03912	1.7
143.08553	1.1
145.04971	7.6
145.10124	20.0
147.04419	1.7
161.05956	2.4
161.09576	2.0
163.07559	8.0
163.11185	100.0
165.09045	1.3
167.07060	3.0
175.07570	1.0
175.11092	1.0
178.77710	1.0
181.04903	2.3
181.08681	4.9
181.10620	0.9
181.12245	17.5
191.07063	2.2
193.06767	0.8
193.08646	1.1
205.12273	1.1
223.13370	1.2
307.15298	1.5
325.11047	1.0
343.04376	3.3
343.13837	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	4.4
55.01862	3.6
55.05511	14.0
56.96561	2.1
57.03424	7.0
57.07070	5.4
59.04993	3.7
65.03927	4.4
67.05506	25.3
67.16064	1.6
69.03429	10.3
69.07056	7.5
71.05004	14.4
79.05493	19.3
81.03434	3.3
81.07056	26.0
83.04993	7.8
83.08628	4.1
85.06539	3.6
91.05483	28.1
93.07048	57.5
95.04971	49.6
95.08610	68.3
95.50466	1.8
97.06534	17.2
98.20774	3.2
99.04472	1.7
103.05470	2.6
105.04507	2.4
105.07033	68.0
107.04956	3.8
107.07875	2.2
107.08595	39.9
109.06544	13.4
109.10137	6.0
111.08076	4.0
115.05471	4.5
117.07005	23.0
119.07814	1.9
119.08591	26.9
121.05747	1.9
121.06514	12.6
121.10167	12.6
123.08070	24.2
125.09579	2.3
128.06165	2.9
129.06995	5.0
130.07793	13.0
131.08583	8.5
133.06491	5.1
133.10141	14.6
135.08060	23.1
135.11673	11.7
137.05995	2.0
137.09592	4.6
143.08557	7.5
145.06528	1.9
145.10126	64.5
146.07213	2.4
147.08040	12.7
147.11711	4.0
149.09622	5.0
149.13190	1.6
151.07549	38.0
153.09036	3.0
155.08510	2.2
155.10721	2.1
156.09348	3.3
157.10162	9.0
159.08025	2.5
159.11700	6.2
161.09569	8.0
161.13251	2.8
163.11185	45.7
165.09126	13.6
167.08531	1.9
169.10176	2.3
171.11723	6.9
173.09659	3.4
173.13274	4.2
175.11159	5.7
177.09108	5.8
179.07024	2.5
179.10825	2.7
181.10124	3.9
183.11736	3.1
185.13228	4.2
187.11174	4.3
187.14856	2.9
189.12679	9.3
191.10776	1.9
191.14352	3.6
195.11644	2.7
197.13292	2.6
198.10452	1.8
199.11234	2.0
203.14348	6.4
207.11804	1.7
207.13782	3.9
209.13324	2.5
209.15363	5.1
213.12776	1.9
213.16403	1.8
215.14366	2.2
217.07440	1.7
217.12318	2.0
221.13403	2.1
221.15369	29.7
225.16385	2.8
227.14413	2.1
233.15359	3.2
240.23296	1.8
241.15776	3.3
245.15393	2.3
263.16461	6.5
269.15234	1.9
272.68744	1.6
273.09814	2.2
274.19479	1.8
286.19342	3.5
287.16580	2.3
325.21640	10.0
325.25119	3.0
326.22186	2.0
338.94745	1.9
343.22696	100.0
344.18713	20.7
344.22827	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.76087	1.6
53.03939	1.9
55.01863	3.8
55.05513	21.9
57.03424	6.5
57.07062	8.5
59.04986	5.5
65.41706	1.5
67.05505	27.6
69.03416	5.8
69.07040	7.6
70.97467	4.3
70.97813	2.9
71.04993	18.3
79.05495	19.5
81.03413	3.6
81.07059	36.3
83.04981	4.3
83.08595	9.6
84.91315	2.1
85.06522	3.8
91.05476	21.3
93.06478	3.3
93.07047	49.4
95.04962	38.8
95.08608	60.1
97.06538	12.9
97.10165	9.5
98.77971	1.9
103.05456	2.1
104.46768	1.9
105.07033	55.9
107.08598	44.2
109.06519	9.4
109.10153	7.7
111.08076	3.2
115.05409	3.2
117.07011	20.0
119.08575	20.6
121.06487	12.5
121.10162	14.4
123.08084	18.7
123.11690	15.3
125.05923	2.9
125.09617	6.2
128.06218	2.9
129.06993	3.4
130.07813	13.2
131.08577	5.2
133.06477	5.3
133.09348	1.7
133.10141	16.6
135.08029	20.3
135.11678	12.5
137.09583	3.8
137.13303	3.7
139.11136	1.8
141.12712	2.6
142.07780	2.3
143.08594	9.1
145.10129	63.8
145.11290	3.0
147.08023	9.6
147.11699	4.7
149.09619	3.9
151.07536	33.1
151.11122	3.2
153.09245	2.1
155.14319	3.0
157.10161	7.6
159.08148	1.9
159.11710	5.9
161.09605	7.0
161.13286	3.0
163.11182	48.6
165.09196	13.1
169.10182	2.8
169.12128	2.2
171.11681	4.2
173.09601	2.4
173.13292	4.2
175.11246	4.6
177.09048	4.1
179.06943	2.4
181.10164	3.0
181.12219	2.6
183.11708	3.7
187.11185	3.3
187.13290	19.4
189.09271	2.8
189.11215	6.3
189.12782	5.5
197.09563	2.0
201.12814	1.9
201.14806	5.1
203.14328	7.1
207.11877	2.4
207.13788	5.5
209.15358	4.3
217.12193	2.4
221.13390	2.7
221.15356	24.8
225.12764	2.6
233.15146	2.3
241.15881	2.4
263.16513	8.3
268.64951	1.9
277.05151	1.8
279.13571	1.8
286.19385	2.3
287.20023	2.1
307.22964	2.7
325.21545	6.9
325.24371	2.5
343.22684	100.0
344.18533	6.3
344.22641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	3.7
55.01882	3.6
55.05510	13.2
56.96572	2.6
57.03426	6.5
57.07082	7.9
59.05001	4.9
65.03927	2.2
67.05517	20.1
69.03425	8.9
69.07060	5.5
69.51450	11.2
71.05001	19.0
72.85474	1.6
79.05502	16.3
81.03409	2.0
81.07067	22.5
83.04967	6.5
83.08621	1.9
85.06535	4.1
91.05486	22.4
93.07050	49.2
95.04375	2.2
95.04979	39.4
95.08613	61.8
97.06527	13.4
103.05452	2.5
105.07043	58.2
107.08601	39.3
109.06533	15.8
109.10148	5.2
115.05428	3.3
116.06231	2.4
117.07018	18.7
119.08581	23.9
121.06522	12.8
121.10147	12.2
123.08080	18.7
125.05972	4.0
128.06213	2.6
129.07019	4.5
130.07822	11.1
131.08542	5.6
133.06491	4.1
133.10135	12.2
135.08067	18.1
135.11691	13.4
137.05988	3.4
137.09581	4.7
143.08560	7.1
145.10135	60.3
147.08037	8.6
147.11716	3.3
149.09619	3.7
151.06419	3.4
151.07538	29.4
153.09045	1.9
155.08568	2.3
156.09406	2.2
157.10135	6.9
159.08008	2.8
159.11702	6.8
161.09637	6.0
161.13261	2.9
163.07605	2.5
163.11198	48.5
165.09140	12.1
169.10162	2.8
171.11685	4.7
173.09549	1.7
173.13277	2.6
175.11237	3.6
175.14783	1.9
177.09105	6.2
179.07030	5.5
179.08620	1.7
181.12250	2.7
182.11119	2.2
183.11687	2.1
185.13266	2.3
187.11113	4.6
189.09106	2.2
189.12744	7.0
191.10661	2.6
191.14322	2.8
197.13228	2.8
201.12682	2.0
203.14339	5.7
207.11888	2.4
207.13799	7.2
209.13362	2.2
209.15347	4.9
213.12627	1.9
221.15364	26.9
233.15451	3.1
262.32178	1.9
263.16415	7.0
266.59680	2.2
269.15268	2.2
287.16751	2.5
287.19992	3.1
307.20215	2.2
325.21841	9.5
343.22687	100.0
344.18616	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73901	2.0
53.03938	2.5
54.13350	1.8
55.01866	4.0
55.05516	18.0
56.96564	3.6
57.07067	8.3
59.04986	4.2
62.11610	2.5
66.45532	2.1
67.05502	24.6
69.03430	7.9
69.07071	100.0
69.34160	15.4
71.05015	3.3
79.05487	13.1
81.06586	3.5
81.07059	65.8
83.04958	3.3
83.08629	11.1
85.02902	4.0
85.06539	7.8
91.05502	10.0
93.07047	23.6
95.04961	6.7
95.08611	38.5
97.02841	2.2
97.06538	6.2
97.10156	5.3
98.21513	5.3
98.97583	2.5
99.08102	8.9
101.06013	4.8
102.98042	2.0
103.05450	5.2
105.07029	15.9
107.04958	4.0
107.08605	16.3
109.06496	5.3
109.10159	30.8
111.08091	6.2
111.11720	27.7
115.05457	2.1
117.07040	1.9
119.08587	9.8
121.06494	4.3
121.10133	17.0
123.08088	5.0
123.11707	30.8
125.09619	4.3
127.03914	2.3
127.11237	3.7
129.06979	2.2
129.12704	3.2
131.04901	5.6
131.08549	2.1
133.10115	5.8
135.08035	3.6
135.11670	9.2
137.05980	10.8
137.09608	2.5
137.13239	9.1
139.03908	5.3
139.11174	22.5
145.10052	4.6
146.03596	4.7
147.04420	2.7
147.11638	5.7
149.05954	2.3
149.13225	7.3
151.07530	4.4
153.12759	6.5
157.12160	2.7
159.11621	3.1
161.06006	25.0
161.13278	4.6
163.07536	9.5
163.11169	9.3
165.12686	5.1
167.07095	2.6
167.14214	2.3
175.07545	12.2
175.14801	2.5
179.14200	2.9
181.05003	2.5
181.08554	3.7
181.12254	3.1
183.13829	2.6
189.09134	4.8
194.07268	3.5
219.10284	2.7
222.06561	2.9
224.08426	2.2
233.09497	3.4
235.07567	4.5
250.06100	3.6
261.09271	2.2
263.06824	3.2
265.08606	8.8
267.10236	3.7
271.24158	3.2
289.25174	7.7
293.11679	5.7
295.26306	11.8
297.11188	9.6
299.12769	3.1
307.26321	23.6
311.12695	17.2
325.14206	6.4
325.27383	4.9
343.11606	8.2
343.15424	18.5
344.18591	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.0
55.28137	0.8
57.03437	1.0
57.07075	4.7
59.04994	1.7
60.53035	0.7
67.05505	9.0
68.49968	0.8
69.03416	3.2
69.07071	100.0
69.90818	3.5
71.04995	2.0
71.08621	1.3
73.02929	1.3
73.06528	0.7
79.05484	4.7
81.07059	36.3
83.04989	1.4
83.08629	6.5
85.02888	1.1
85.06549	6.4
86.90742	0.8
91.05470	2.9
93.07044	12.2
95.04945	2.1
95.08612	31.8
97.06529	4.7
97.10164	3.2
99.08088	3.6
101.06017	1.6
105.07033	5.7
105.64776	0.9
107.04988	1.2
107.08595	10.0
109.06531	1.5
109.10165	13.3
111.08092	5.5
111.11722	26.8
117.06951	0.9
119.04980	1.2
119.08600	3.8
121.10150	10.8
123.04391	1.1
123.11719	14.3
125.05952	1.1
125.09581	1.6
125.13294	1.1
127.11179	3.5
129.12766	1.6
131.04860	0.8
131.08598	1.2
133.10127	1.9
135.08083	1.2
135.11694	6.8
137.05997	3.9
137.09599	1.3
137.13268	4.6
139.11186	23.2
145.10054	1.9
146.03688	1.0
147.11691	2.7
149.13246	2.5
151.11229	1.3
151.14790	3.8
153.12778	7.0
157.12230	6.2
159.11700	1.9
161.05994	7.6
161.13225	1.5
163.07544	1.7
163.11169	4.0
163.14813	2.3
165.12778	3.7
171.13785	1.0
175.07605	3.8
175.14859	1.1
181.12202	1.3
187.14764	0.9
189.09045	0.9
191.03383	6.7
194.07147	1.0
209.09749	0.9
215.17854	0.8
222.06647	1.2
237.18520	1.3
237.64532	0.8
247.45767	0.8
250.06271	1.2
261.09015	0.8
263.23718	3.0
265.08585	2.5
277.25134	1.5
278.93625	0.9
289.25253	3.4
293.11670	2.0
295.26239	4.3
297.11234	2.5
307.26297	24.1
311.12845	5.2
325.14240	1.1
325.27383	16.0
343.08163	1.9
343.11646	2.5
343.15399	7.7
343.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01857	2.9
55.05309	2.2
55.05514	22.5
57.03444	3.4
57.07087	14.5
59.04991	4.6
64.16174	2.0
67.05512	26.3
68.25629	2.1
69.03446	4.7
69.07072	98.8
71.04985	6.1
71.08628	2.9
79.05494	15.1
81.07059	100.0
83.04966	2.8
83.08634	17.6
85.02924	3.5
85.06538	19.8
91.05463	9.4
93.07042	35.4
95.04957	9.1
95.08612	62.7
97.06528	11.1
97.10148	5.3
98.96883	2.0
98.97555	2.2
99.08102	14.1
99.41201	1.8
101.05994	3.2
103.05469	2.7
105.07041	16.8
107.04951	2.9
107.08601	30.7
109.06502	5.6
109.09470	2.5
109.10165	36.0
111.08083	17.7
111.11724	26.7
113.05953	2.3
113.09605	2.8
115.05449	2.8
117.07055	2.0
119.08604	12.4
121.10140	23.3
123.08080	4.5
123.10812	3.5
123.11710	53.8
125.09633	2.8
125.13291	2.9
127.11206	11.3
131.04915	2.7
131.08565	4.3
133.06419	2.1
133.10101	5.9
135.08005	2.1
135.11722	21.6
137.05980	7.6
137.09607	4.4
137.13255	14.6
139.03862	3.0
139.11183	18.3
145.10123	5.8
146.03667	2.5
147.11690	12.0
149.13260	6.9
151.07571	3.0
151.11221	2.2
151.14876	3.0
153.12747	25.6
157.06393	3.3
159.11668	6.1
161.05986	16.3
161.13298	4.4
163.07545	4.3
163.11171	9.5
163.14838	3.0
165.12773	12.8
169.12233	1.8
169.48137	1.8
171.13780	3.8
173.13257	2.8
175.07507	7.3
175.14822	1.9
177.16418	3.5
179.14308	3.1
181.08618	3.6
181.12239	4.2
189.09123	4.2
191.03407	2.8
194.07230	2.6
209.19037	2.6
229.15765	2.6
233.09608	2.8
237.09009	4.8
237.18484	3.0
241.08591	2.3
250.09975	2.4
265.08643	6.3
265.11884	2.0
269.08224	2.3
269.11487	2.0
277.25201	6.1
278.09384	2.4
279.10144	2.0
284.10352	2.4
289.25278	11.0
293.11621	3.4
295.26337	13.4
297.11212	5.3
299.12726	3.3
307.26340	44.1
311.12723	10.7
325.14438	4.7
325.27432	11.6
343.11630	6.7
343.15573	12.2
344.18677	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	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01867	1.0
55.05515	10.3
57.07066	3.5
59.04984	1.3
67.05515	12.0
69.03427	2.1
69.07071	21.7
70.11645	1.9
70.12041	1.9
71.04992	4.5
71.08612	1.3
79.05487	10.1
81.06587	1.6
81.07059	33.3
83.04998	1.0
83.08616	10.0
84.96925	0.9
85.06525	3.4
91.05484	8.2
93.07051	39.1
95.08609	35.9
97.06528	4.4
97.10156	6.9
99.08080	2.3
105.07039	12.9
107.08601	47.6
109.10163	24.3
109.22173	1.1
111.08067	4.0
111.11705	3.4
113.09626	1.2
119.08576	13.1
121.10152	37.4
123.08089	1.0
123.11720	15.4
125.09628	4.1
125.13265	1.2
127.11218	5.9
131.08578	4.4
133.10124	10.3
135.11699	34.1
137.13269	4.6
139.11185	3.6
145.10121	8.8
147.11705	21.1
148.12474	1.0
149.13264	100.0
151.14784	2.6
153.12767	2.5
159.11653	4.9
161.13255	5.9
163.14880	2.7
167.14339	1.2
169.42368	1.1
173.13321	3.7
175.14830	10.4
177.16399	24.7
187.14859	1.8
189.16370	8.2
191.18010	7.6
193.15871	2.8
195.17448	18.0
201.16370	3.6
203.17963	12.1
205.19534	1.2
209.19064	2.0
215.17946	2.2
217.19504	1.4
229.19463	1.5
255.20950	1.7
257.22672	3.2
269.22650	1.5
285.25864	1.5
325.28857	9.1
343.29947	32.6
344.19092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01873	1.3
56.96568	1.3
57.03438	2.5
58.06584	1.4
61.02932	4.2
69.03077	0.9
69.03429	9.4
69.03774	1.0
69.97058	2.8
70.06599	2.7
71.04987	1.1
73.02916	2.4
75.87873	0.5
79.71259	0.5
81.03415	4.0
83.06084	0.9
85.02907	27.2
87.04460	1.6
89.06071	0.6
91.03959	2.0
91.05474	1.2
97.02888	9.1
98.21560	0.8
98.97578	2.2
99.04445	2.4
106.02917	2.1
107.04954	0.6
109.02879	2.7
110.06047	0.8
113.90601	0.5
115.03899	0.9
119.04918	0.8
120.04460	3.3
123.04461	0.8
124.03949	2.5
127.03912	5.3
131.04967	0.6
136.07562	1.3
137.05984	1.9
145.04964	5.5
147.04427	2.8
151.07555	1.2
158.99632	1.1
162.05467	0.7
164.01659	96.8
164.07051	1.6
164.08298	1.2
165.01892	0.5
165.05469	1.9
182.02708	100.0
182.08151	1.9
183.03040	0.9
192.10135	0.9
199.07718	0.7
201.05632	0.5
211.07469	0.6
223.07498	0.7
225.69609	0.5
235.07568	0.7
237.02907	0.7
237.05205	0.5
238.09868	0.7
250.09837	0.9
255.10246	1.1
267.10037	0.6
268.08234	1.2
269.07724	0.6
281.11569	1.6
282.12411	1.7
284.10175	0.6
316.14725	1.1
344.07758	3.6
344.14154	2.8
344.18530	24.0
345.15112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1027
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
54.36975	0.2
57.03427	0.5
59.04983	0.4
59.13155	0.2
61.02917	0.6
69.03430	1.9
73.02917	0.4
74.31681	0.2
79.32891	0.2
81.03410	0.8
85.02901	3.0
87.04495	0.4
91.03934	0.2
92.43372	0.2
96.57559	0.2
97.02914	1.5
98.97578	0.4
99.04449	0.4
109.02880	0.6
109.05081	0.2
127.03909	0.9
134.04631	7.0
136.85124	0.2
137.05846	0.2
140.02722	0.4
152.05739	1.2
152.06821	0.3
164.07028	0.4
165.02319	3.3
165.11217	0.3
167.02654	0.8
182.04968	100.0
183.05180	0.5
196.10228	0.2
276.36169	0.2
281.15665	0.2
310.74551	0.2
344.10236	34.8
344.18256	1.5
345.10413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.3
57.03430	0.5
58.06582	0.4
58.69402	0.2
59.05004	0.5
59.86041	0.2
61.02917	0.8
69.03429	2.8
69.78799	0.9
70.06584	0.3
71.04983	0.3
73.02898	0.5
81.03438	1.0
85.02432	0.3
85.02911	4.1
87.04464	0.5
97.02924	1.3
98.20714	0.2
98.97588	1.0
99.04479	0.4
103.07608	0.3
107.03575	0.3
107.04968	0.4
109.02887	0.6
109.05129	0.4
116.98605	0.4
119.04910	0.2
122.05968	0.2
124.03959	0.2
127.03947	1.1
128.98640	0.3
134.04633	7.6
135.03046	0.2
136.07585	0.4
137.06024	0.2
140.02788	0.6
145.04919	0.3
147.04445	0.4
151.07494	0.3
152.05707	0.9
158.99658	0.2
161.39645	0.2
164.01611	0.3
164.07047	0.9
165.02339	3.5
165.11273	0.7
167.02614	1.1
171.06441	0.3
182.04974	100.0
183.05200	0.3
192.10191	0.4
219.01712	0.3
222.10558	0.2
237.02873	0.4
243.06468	0.2
251.10695	0.2
267.10278	0.3
268.05969	0.3
281.11823	0.4
282.12570	0.3
344.10251	36.9
344.18582	9.0
345.10614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.57882	0.3
55.01867	0.5
56.96566	0.7
57.03429	1.0
61.02927	0.8
65.03932	0.3
67.05518	0.5
69.03436	3.8
71.04994	0.9
71.53587	0.5
73.02909	1.0
77.65953	0.3
79.63837	0.3
81.03427	2.7
83.04966	0.4
85.02427	0.7
85.02907	7.2
87.04489	0.5
91.05486	14.4
92.03890	0.3
93.05817	0.4
95.04950	0.8
97.02902	3.8
98.97604	0.7
99.04467	1.2
101.00877	0.5
103.48580	0.4
107.04961	1.5
108.08114	1.7
109.02877	3.7
111.04473	0.4
118.06551	0.9
119.04955	13.5
121.06561	0.5
123.04432	4.3
127.03927	4.4
136.07585	100.0
138.05489	0.4
143.01913	0.8
144.48216	0.4
145.04994	1.3
146.06042	1.1
147.04399	2.2
148.07562	1.2
150.31348	0.4
155.01920	0.4
155.03581	0.3
161.03046	0.4
164.07089	5.9
165.05482	7.3
166.05043	0.5
173.03056	0.4
173.04462	0.9
182.08142	23.7
204.69196	0.4
208.21805	0.4
219.59250	0.4
222.47035	0.3
232.06929	0.4
240.56105	0.4
258.77524	0.4
262.10507	0.5
280.11862	1.1
290.10233	0.8
291.08514	0.4
298.12796	0.7
304.01892	0.6
308.11313	4.3
326.08572	0.7
326.12338	5.3
343.61285	0.7
344.09207	2.6
344.13434	14.9
344.18494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
57.03441	7.0
61.02930	16.4
69.03432	30.2
71.04970	1.3
71.52592	1.4
73.02925	27.3
77.63945	1.1
81.03413	6.2
82.99869	2.3
85.02907	51.4
87.04462	3.2
91.03970	11.5
96.02434	1.3
97.02895	23.1
99.04453	5.0
101.00896	8.2
101.02395	3.7
109.02913	2.8
111.02911	2.9
113.00856	3.1
115.03168	1.5
115.03913	2.6
117.02930	2.4
119.01910	7.6
123.02949	4.9
127.02409	4.2
127.03928	30.9
129.02930	3.5
131.01933	4.4
132.03476	3.5
134.04576	1.9
138.03459	5.0
139.02409	2.1
143.01900	16.1
145.03447	10.1
145.04988	8.0
147.03964	5.0
153.03949	13.0
153.54109	1.7
155.01912	32.3
156.02126	1.2
157.03510	7.3
157.99846	1.3
158.99931	1.4
161.02960	11.0
162.04491	3.2
165.03914	2.5
167.01939	5.1
169.03531	6.7
173.02965	20.7
173.04330	2.0
174.03198	1.9
174.04515	11.9
174.54626	3.2
177.00977	8.2
179.01767	1.2
182.99887	1.6
183.05009	27.3
183.55122	3.4
185.02965	16.2
186.03035	2.8
187.04538	4.8
192.05525	2.0
196.03073	1.4
196.57994	1.2
196.99608	1.3
197.02974	5.2
199.04582	1.6
200.98308	1.4
201.00919	11.0
203.04024	11.6
204.05617	4.5
205.03786	1.5
209.02789	2.1
211.04626	2.2
215.04074	5.8
219.02016	100.0
220.02267	1.8
221.02817	1.8
221.05130	1.9
222.02133	1.4
227.04074	2.5
234.06619	38.1
234.56886	5.8
238.95686	3.9
242.03645	5.1
242.97134	1.6
245.05121	27.0
246.05188	2.5
249.98337	1.3
255.07156	13.0
255.57184	1.6
256.00482	1.7
256.97150	8.5
257.05072	5.2
262.05365	2.3
263.06271	5.9
264.07681	57.6
264.57761	11.1
273.03833	1.4
275.06140	3.4
280.97034	1.6
287.06161	2.5
298.97739	40.4
303.00674	1.6
303.04337	1.7
304.05276	1.5
305.07104	8.0
306.07526	1.7
313.00052	1.7
321.99390	7.7
327.01434	1.9
347.08289	10.5
365.09473	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	345.0606
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
55.05502	0.8
56.96551	0.8
57.03431	0.7
57.99002	0.4
61.02917	0.5
67.05492	1.6
69.03413	0.7
69.07074	0.7
69.29154	3.7
79.05487	0.9
81.03411	0.6
81.07057	1.2
83.08606	0.6
83.16772	0.4
85.02909	0.5
88.08142	0.4
89.12708	0.4
91.05496	0.6
93.07043	1.3
95.08596	1.3
97.02901	0.7
98.97598	0.8
105.07024	0.7
107.04955	0.6
107.08581	1.1
107.72948	0.4
109.10154	1.5
115.05431	0.5
117.27486	0.3
119.08569	1.2
123.08021	0.7
127.03912	0.4
131.04887	1.2
133.02827	0.5
133.06430	0.4
133.10170	0.8
137.05966	1.0
137.09612	0.6
143.08533	0.5
145.06519	0.7
145.10143	0.7
147.08115	0.4
147.11690	0.6
151.03958	0.5
151.07590	0.4
157.10143	0.6
158.03656	0.7
165.09178	0.4
171.04440	0.8
173.06006	0.9
175.03938	0.5
176.30547	0.4
186.03079	1.6
197.02277	0.6
198.03136	0.5
199.03915	1.0
201.05505	2.4
203.03421	1.0
214.02646	2.3
215.03351	1.0
224.08221	0.8
228.04256	1.2
229.04997	2.5
229.07483	3.6
229.14384	0.6
231.02879	2.6
241.01373	1.7
242.02090	5.0
247.08507	1.2
256.03558	1.0
259.02414	3.0
267.09085	1.1
269.00790	1.9
270.01529	3.0
271.02399	1.7
274.04669	0.8
284.03165	0.8
285.03964	9.0
285.10333	0.8
287.01849	6.8
291.19608	0.5
297.00183	0.8
299.01779	1.1
299.09018	0.8
299.12119	0.6
301.03467	1.7
302.04047	0.6
312.02655	2.2
313.03436	29.2
313.10538	2.2
314.04086	2.2
315.01370	19.5
315.04465	0.5
316.02103	0.7
320.13849	1.4
327.12259	0.7
329.02933	2.9
329.97910	0.5
330.03711	28.6
345.06067	100.0
345.18991	1.6
346.06479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0605
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
60.65387	0.4
66.24319	0.3
69.30469	2.5
69.30881	0.8
80.11964	0.3
101.67786	0.3
112.78168	0.4
115.05459	0.8
117.06960	0.5
119.33563	0.3
131.04971	0.4
143.04889	0.3
145.06494	0.8
145.73708	0.3
147.04362	0.5
154.03912	0.4
155.04881	0.6
158.03639	0.7
161.06010	0.5
171.04393	0.9
173.05995	1.2
175.03885	0.8
185.73515	0.4
186.03102	1.3
187.03897	0.6
198.03123	0.6
199.03871	1.1
201.05415	2.8
203.03391	1.7
213.01889	0.4
214.02603	2.0
215.03378	1.0
225.01880	0.5
226.02574	0.5
227.03381	0.7
228.04211	1.2
229.04932	3.1
231.02922	2.6
239.06963	0.4
241.01332	1.8
242.02097	6.1
243.02702	0.5
256.03763	1.1
257.04510	0.7
259.02414	3.3
269.00867	2.2
270.01584	3.4
271.02319	1.0
274.04727	0.7
283.99835	0.4
284.03140	0.8
285.03925	9.6
286.01059	1.0
286.04477	0.8
287.01843	8.0
297.00293	1.3
299.01837	1.4
299.08990	0.6
299.98953	1.1
301.03455	1.7
302.04083	0.8
312.02750	2.1
313.03400	34.7
314.04013	2.2
315.01340	22.7
316.02051	0.8
329.02872	3.3
330.03696	31.6
331.04135	0.5
345.06039	100.0
346.06415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0606
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
53.74013	0.3
56.34421	0.3
63.43776	0.4
70.48548	1.2
79.84875	0.3
81.07049	0.6
82.68991	0.3
84.05134	0.3
84.35304	0.3
93.72530	0.3
115.05392	0.4
131.04863	0.4
137.05965	0.4
145.06485	0.9
147.04431	0.6
157.06404	0.6
158.03641	0.6
161.06032	0.4
163.07668	0.4
164.76573	0.4
170.03627	0.7
171.04411	0.5
173.06015	0.8
175.03912	0.7
177.44092	0.3
185.05852	0.5
186.03159	1.4
187.03906	0.5
197.02367	0.6
199.03937	0.5
200.04585	0.4
201.05478	2.4
203.03415	1.7
213.01836	0.5
214.02620	2.1
215.03432	0.7
225.01788	0.6
227.03337	0.5
228.04303	1.2
229.04933	2.3
231.02895	3.3
241.01424	2.0
242.02115	5.0
243.02762	0.7
246.05156	0.4
256.03781	1.1
257.00821	0.6
257.04434	0.6
259.02408	3.4
269.00729	2.0
270.01599	3.0
271.02368	1.4
274.04785	0.5
284.03036	0.7
285.03961	9.6
286.01147	0.9
287.01868	7.2
297.00485	1.2
299.01996	1.8
299.09103	1.0
299.98981	0.6
301.03470	1.4
302.04196	0.4
312.02512	2.0
313.03430	29.8
314.04166	1.7
315.01349	19.8
316.01852	0.9
327.12405	0.8
329.02957	3.2
330.03708	28.7
345.06061	100.0
346.06375	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	15.4
55.01879	29.1
57.03433	10.2
61.02925	3.1
66.56831	1.8
67.05499	2.9
69.03087	3.0
69.03437	44.9
69.03815	2.1
69.47275	2.7
69.47684	9.2
71.01366	24.1
71.04998	7.0
73.02919	7.2
79.05508	4.3
81.03426	75.4
81.07070	4.2
83.01346	5.9
83.04974	3.6
85.02911	100.0
87.12534	2.1
91.05485	5.9
93.03416	2.6
93.07040	2.8
95.01346	17.2
95.04974	6.5
95.08644	1.9
97.02902	42.5
99.00820	3.5
99.04464	25.0
101.02396	4.2
103.03944	10.0
107.04972	2.1
109.02891	99.7
111.04454	3.9
113.02383	10.8
115.03934	2.3
119.04963	5.2
119.08577	2.6
121.02900	3.3
123.00788	3.9
123.04458	4.1
125.02386	8.5
127.03934	59.4
131.03474	2.4
135.04431	2.0
137.02339	4.7
137.05972	3.5
139.03897	4.7
141.01843	41.8
143.03389	2.4
145.04974	6.4
147.04416	8.1
151.03958	3.3
155.03429	5.3
159.02924	4.5
163.03928	2.4
165.01904	2.3
165.05492	13.2
169.01297	3.8
169.04984	6.7
175.03911	12.8
183.02921	14.0
187.02411	8.8
187.06023	29.1
193.05035	7.6
201.03918	10.7
201.05571	2.0
205.04994	2.4
221.04391	3.3
225.03960	2.3
229.03348	3.9
231.02975	1.9
242.02232	3.2
249.03986	2.1
267.05069	18.1
270.01678	1.7
271.08496	1.8
285.03687	2.8
287.01849	2.8
313.03326	12.1
313.11008	2.8
315.01453	7.0
318.30533	1.8
327.07208	2.0
330.03674	11.8
345.05896	21.1
345.08203	31.6
345.18900	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	345.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.1
55.01625	2.0
55.01875	25.4
55.05512	2.6
57.03447	7.7
61.00696	1.5
61.02924	3.2
65.03950	1.7
67.05515	3.1
69.03082	2.3
69.03436	38.1
71.01354	22.5
71.04987	5.9
71.54887	2.2
73.02918	8.8
76.53046	1.4
79.05495	3.4
81.03422	71.0
81.07063	3.6
83.01334	6.7
83.04989	7.7
85.02908	86.7
91.05487	5.0
93.07017	2.2
95.01332	16.6
95.04956	5.8
97.02898	34.5
99.00841	4.3
99.04467	25.2
101.02386	4.9
103.03924	11.0
107.04989	1.7
109.02886	100.0
109.06477	2.0
110.03712	1.8
111.04433	4.2
113.02369	10.6
115.03915	1.8
119.04936	5.3
121.02906	4.8
123.00784	3.8
123.04442	3.6
125.02358	7.9
127.03922	63.9
128.39215	1.6
131.03403	2.1
135.04408	2.6
137.02336	5.8
137.05977	4.7
139.03951	3.0
141.01842	44.5
145.04936	6.3
146.03456	1.6
147.04399	8.0
149.02359	2.9
155.03430	5.1
159.02911	5.0
163.04053	1.7
163.30383	1.5
165.01848	2.4
165.05458	16.2
169.01329	4.4
169.04980	8.1
175.03908	10.1
183.02879	10.5
187.02368	9.0
187.06030	25.6
193.04993	7.2
201.03966	13.5
205.05013	2.1
208.46075	1.8
221.04361	3.3
229.03453	4.6
231.02750	1.8
239.05539	2.7
249.03986	3.2
267.04999	17.3
282.12149	2.5
285.03662	2.5
285.06384	3.2
285.11084	2.0
287.01532	2.0
288.71179	1.7
313.03445	9.8
315.01389	6.2
327.07220	2.5
330.03699	7.1
345.08066	42.8
345.13150	3.7
345.14551	2.3
345.18884	17.7
346.19797	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	345.1338
Annotation	5,7,3',4'-Tetramethoxyflavanone
Peak:m/z	Relative Intensity
53.03957	3.6
55.01863	5.6
55.05518	4.3
61.02922	1.7
65.03945	5.0
67.05513	12.2
69.03442	6.9
69.07069	12.2
71.05003	6.0
71.54166	2.8
79.05504	7.7
81.03420	10.6
81.07059	19.8
83.04996	2.0
83.08632	6.8
85.02918	9.3
85.06557	2.8
91.05483	11.2
93.03439	2.1
93.07058	8.3
93.95564	1.9
95.04983	6.4
95.08617	22.8
97.02895	4.2
97.06541	4.7
99.04517	3.0
103.05488	6.1
105.07069	7.3
107.04990	10.7
107.08610	5.3
109.02898	6.4
109.06516	3.8
109.10171	36.1
111.04440	12.2
111.08068	2.3
115.05479	4.5
117.07034	4.4
119.04953	2.2
119.08623	7.9
121.02918	13.1
121.03764	2.7
121.06545	6.0
121.10179	5.7
123.04424	3.7
123.08172	2.6
123.11735	6.5
127.03954	4.4
129.07013	2.7
131.04939	14.6
131.08589	3.7
133.06525	4.1
133.10164	2.2
135.04463	2.7
135.08150	3.0
135.11749	2.3
137.06000	40.2
137.09642	22.1
137.13318	3.4
139.03932	9.1
140.07092	5.5
141.07077	3.4
141.09225	2.0
142.07904	2.1
143.08580	3.5
144.05707	1.9
145.06465	10.1
145.10135	2.1
147.04433	4.2
147.08066	4.6
147.11790	4.1
148.05235	2.3
149.06020	3.1
151.03922	3.9
151.07555	9.3
153.05568	4.1
153.07025	7.0
153.12732	1.8
154.07852	2.6
155.08640	4.6
155.10710	3.1
157.06525	3.9
159.08041	4.1
160.08896	2.3
161.06064	6.0
162.06747	3.0
163.03996	3.5
163.07578	18.1
165.07051	12.9
165.09134	19.1
165.12849	2.4
165.16447	7.7
166.07816	2.3
167.03436	3.2
167.07083	7.0
167.08594	4.7
168.05847	4.1
169.06531	6.4
170.07324	2.7
171.08125	3.1
173.06046	4.6
175.07635	7.8
177.09138	38.8
177.16411	2.1
178.07742	8.5
179.08626	7.8
181.05003	9.5
181.06560	11.5
182.07312	5.2
183.08060	8.5
183.17551	1.9
185.06085	3.1
185.09740	2.3
188.08409	2.1
189.09126	2.2
191.07054	4.6
193.06599	4.1
193.10257	3.9
194.07370	3.8
195.08122	9.1
196.05286	2.6
196.08929	6.4
197.05965	10.1
197.09682	2.2
198.06743	13.3
199.07620	4.1
201.11290	4.0
202.07819	2.2
203.10631	2.2
205.06508	2.5
206.07434	3.3
207.08089	10.0
209.06117	4.9
210.06845	8.1
211.07573	23.3
211.11256	5.8
212.08318	2.9
213.05550	6.0
213.09171	5.1
221.06116	2.4
221.09731	6.4
223.07542	11.4
224.04785	2.8
224.08246	9.2
225.05623	5.7
225.09138	3.5
226.06248	19.4
227.07024	4.3
228.07814	3.3
234.06876	2.8
234.67529	1.7
235.07635	7.5
236.08418	3.2
237.05566	3.9
238.06302	8.7
238.09961	6.3
239.07060	48.7
239.10602	21.6
240.07854	7.2
241.05069	4.2
241.08603	10.3
243.06641	10.1
249.09245	4.5
251.07155	7.0
252.07971	7.0
253.08760	6.6
254.05893	3.8
255.06502	12.1
256.07269	9.4
265.08813	2.4
266.09283	1.9
267.06668	8.3
267.10294	20.9
268.07404	8.0
269.04254	1.7
269.05469	2.6
269.08127	20.8
270.08972	3.1
271.06128	4.1
271.09564	4.3
281.08453	3.4
281.11810	4.0
283.06171	3.6
283.09689	2.5
284.06989	4.2
284.10480	4.4
285.11163	16.1
286.08514	12.3
295.09671	9.1
296.10577	5.7
299.09283	90.7
299.12918	37.7
299.15958	3.2
300.12488	2.1
311.21579	1.9
312.10306	2.2
313.03555	2.9
313.10709	83.2
314.11450	3.3
317.13818	8.8
327.12399	48.7
330.03778	2.4
345.06326	8.5
345.13516	100.0
345.18710	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	345.1336
Annotation	5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
52.41027	1.9
53.03939	2.6
55.01868	2.3
55.05520	2.9
58.26823	1.9
62.22393	1.7
65.03935	4.2
65.90559	1.9
67.05493	4.5
68.99802	1.6
69.03413	3.8
71.05270	2.9
79.05480	4.9
81.03414	4.9
81.07053	8.1
85.02892	5.2
91.05468	7.4
93.03436	2.7
93.07040	3.2
95.04982	3.8
95.08598	2.2
95.54163	1.9
96.02130	2.4
96.53202	1.8
97.06487	2.4
103.05457	5.2
103.06069	1.6
105.07040	4.4
107.04960	9.2
107.08598	4.2
109.02892	2.2
109.10154	6.8
111.04441	12.1
115.05487	4.0
117.06985	6.1
119.04935	2.5
119.08631	1.8
120.41203	2.1
121.02880	10.3
121.06541	4.1
122.03703	2.8
123.04411	3.2
123.08056	2.0
123.11725	3.4
125.06007	2.2
129.06998	4.6
130.92612	1.7
131.04959	13.3
133.06519	3.0
135.04414	2.2
137.06004	36.5
137.07051	2.8
137.09604	6.4
139.03918	5.2
143.08585	3.3
144.05789	2.0
145.06523	9.6
147.04416	3.4
147.08051	2.0
148.05128	1.8
150.55295	1.7
151.07530	8.5
151.28342	2.2
152.06184	3.2
153.06992	6.3
155.08549	5.2
155.10756	2.3
157.06525	2.8
159.08017	3.7
160.08820	2.7
161.05969	7.2
162.06725	3.4
163.03938	4.8
163.07556	22.6
165.05681	2.7
165.06993	14.1
165.09137	9.6
167.07094	4.3
167.08533	3.6
168.05768	2.9
169.06473	3.2
170.07294	3.9
170.60924	1.7
171.08133	1.9
173.06001	3.2
175.07635	2.4
177.09129	55.4
178.07799	9.3
179.08589	4.3
181.04959	8.1
181.06502	9.1
182.07347	3.8
183.06598	2.0
183.08084	7.5
183.13942	1.7
185.09612	2.5
188.08412	2.4
191.07007	3.8
191.08595	2.1
193.06471	3.0
193.10153	4.4
194.07259	3.6
195.08067	7.3
195.10046	4.0
196.05209	2.4
196.08820	5.9
197.06062	8.9
197.09656	2.7
198.06816	10.7
199.07518	3.4
199.99905	2.2
202.07768	4.1
203.08612	2.8
205.06395	2.3
206.07361	4.4
207.08113	10.4
207.09776	2.1
209.05989	5.4
210.06752	10.7
211.07544	23.0
211.11096	4.1
213.05431	6.3
213.09296	2.7
213.16611	1.8
221.05905	3.4
221.09615	7.0
221.11667	3.6
223.07506	8.5
224.08377	11.1
225.05487	3.4
225.09084	3.9
226.06261	16.4
227.07022	4.1
234.06836	3.5
235.07529	5.8
236.08392	2.3
237.05507	3.5
238.06187	6.1
238.09923	4.7
239.07074	51.7
239.10614	19.6
240.07751	5.6
241.04956	5.0
241.08685	8.8
243.06548	8.5
249.09102	4.3
251.07126	4.9
252.07832	5.9
253.08636	7.5
253.12285	2.6
254.05672	2.6
255.06516	11.8
256.07370	10.6
256.10870	1.8
267.06564	6.9
267.10187	19.8
268.07385	8.5
268.10345	2.0
269.05023	3.5
269.08090	16.2
270.08774	4.6
271.05780	2.5
271.09698	3.0
277.08514	2.5
281.08051	2.2
283.06027	5.0
284.07315	3.4
284.10355	6.0
285.11224	23.6
286.08365	13.5
295.09637	9.8
296.10425	5.8
299.09131	83.4
299.12772	40.5
312.10059	2.7
313.10709	78.3
317.13797	7.9
327.08432	2.7
327.12283	55.1
328.12674	2.7
345.06226	4.1
345.13358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03922	1.4
55.01868	1.9
55.05510	5.9
56.96558	1.8
57.07070	2.3
65.03937	6.4
67.05491	6.2
69.03415	2.9
69.07069	13.7
70.20935	1.1
70.83241	1.8
70.83581	2.0
71.04967	1.7
79.05469	4.0
81.03400	2.7
81.07056	21.2
83.08611	3.1
85.02879	2.0
85.06535	3.9
91.05470	3.8
93.03403	2.5
93.07044	6.3
95.04945	2.6
95.08611	13.4
96.02129	5.7
97.02839	1.4
97.06536	1.7
97.10150	1.5
99.08116	1.4
105.07027	3.1
107.01327	2.6
107.04916	1.2
107.08581	5.6
109.02862	1.4
109.06509	1.2
109.10161	8.8
110.97630	1.3
111.03720	1.5
111.04452	25.5
111.08072	3.2
111.11695	2.5
115.05469	1.8
117.07016	1.7
119.08545	1.5
121.10126	4.5
123.04436	3.1
123.11714	7.8
125.05980	1.1
125.09625	1.3
128.06221	1.4
129.06967	2.7
130.73450	1.1
131.04909	2.5
131.08589	1.3
132.60484	1.2
133.10101	1.5
135.08006	1.1
135.11690	3.2
137.05989	7.2
137.09605	2.7
137.13225	3.2
139.02934	1.5
139.03914	16.6
139.11150	1.7
142.07753	1.5
144.05655	2.3
145.06477	3.2
145.10165	1.1
147.04399	3.0
147.08031	1.5
149.13222	4.8
153.05486	3.1
153.06978	6.4
153.12764	2.3
154.07817	1.6
155.04927	1.7
155.06082	1.1
155.08559	3.0
157.06526	3.6
157.10152	1.5
159.08023	6.2
160.08861	5.4
161.05957	6.7
161.09610	2.6
162.06717	1.3
163.07582	1.8
165.05751	1.6
165.06906	5.5
165.09135	3.0
167.03387	5.9
167.07152	1.5
167.08554	2.3
168.05721	4.3
169.06525	2.4
170.07243	2.3
171.08046	2.5
172.05016	1.1
173.06110	2.0
175.07507	2.3
175.21997	1.1
177.09158	1.3
178.07719	1.4
179.08533	7.3
181.06482	7.1
182.07253	3.5
182.08896	0.9
183.08075	4.8
185.05986	5.4
185.09608	1.9
187.07581	5.1
188.08334	7.8
189.09119	2.5
191.06981	1.5
193.06451	1.5
195.07986	5.8
196.05188	2.5
196.08809	3.8
197.05977	4.2
197.09592	3.9
198.06757	19.8
199.07523	3.3
200.08311	2.3
206.07275	2.5
207.08093	6.5
208.08817	4.1
209.06046	5.5
209.09511	1.2
210.06697	3.9
211.03931	1.3
211.07571	11.9
211.11078	5.4
212.08226	1.9
213.05469	7.9
213.09062	3.7
215.06975	2.5
221.06015	1.7
221.09686	5.5
222.10451	1.6
223.07541	6.4
224.04654	2.2
224.08281	6.3
225.05437	2.5
225.09169	5.7
226.06265	7.0
227.06967	4.1
228.07806	4.5
234.06694	3.1
235.07524	6.7
236.08354	3.5
237.05505	2.4
237.09077	3.8
238.06181	1.6
238.09900	11.8
239.07036	24.3
239.10674	14.1
240.07805	9.5
241.04962	5.8
241.08553	10.8
242.02028	1.7
243.06580	13.8
249.09128	5.4
250.09982	1.4
251.07036	3.3
252.04152	1.3
252.07823	4.1
253.04884	1.2
253.06084	1.4
253.08595	11.5
253.12349	5.5
254.05777	2.6
255.06506	4.7
255.10229	1.1
256.07309	17.1
256.10974	2.9
257.08078	1.3
258.08841	2.9
259.02249	1.4
263.06982	2.2
265.08911	1.4
266.09500	2.3
267.06531	5.1
267.10132	29.3
268.07315	19.6
268.10422	2.5
268.81293	1.3
269.08075	25.9
271.09775	6.3
271.13202	6.1
277.08649	1.8
281.08014	3.4
281.11624	5.1
283.09607	2.1
284.06815	4.3
284.10406	9.2
285.04019	2.1
285.11310	2.8
286.08261	7.9
287.01810	1.9
291.26895	1.8
294.08881	1.4
295.09689	9.8
296.10449	11.7
297.07605	1.3
297.10950	1.5
299.09219	100.0
299.12708	18.8
300.09552	2.0
309.11044	1.7
309.27649	2.9
312.09927	3.1
313.03467	12.7
313.10669	22.2
314.04071	3.4
315.01297	7.4
317.13910	2.5
327.12271	81.2
328.12384	2.1
330.03696	9.9
345.06180	34.2
345.13278	62.4
345.17590	3.0
346.13699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.4
65.25893	0.3
66.22292	0.3
69.03434	0.6
70.06585	0.9
70.12169	1.3
81.07047	0.4
85.02901	1.3
86.09699	0.5
91.05466	0.5
92.16512	0.3
97.02873	0.4
98.97595	1.2
101.77892	0.3
116.07123	1.1
118.04178	0.3
119.04916	0.3
122.03625	0.6
122.93832	0.3
123.04483	0.5
127.03999	0.5
131.04964	0.8
137.05978	6.1
147.04439	0.5
148.04764	0.4
148.50015	0.3
153.01932	0.5
158.91382	0.3
165.05527	0.5
165.06970	0.3
165.08908	1.8
165.10271	1.0
166.81667	0.3
167.07068	0.8
180.48277	0.3
183.09929	1.4
183.11351	1.3
191.07001	1.4
203.05260	2.6
252.07767	0.4
265.08832	0.5
270.08887	0.6
271.02301	0.4
271.12909	0.6
285.11081	0.5
287.11060	0.7
300.12378	0.4
309.08447	0.4
313.10892	1.5
313.14651	0.4
327.14133	1.3
345.15219	100.0
346.15588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
59.71484	1.1
67.53028	1.3
69.03425	2.3
69.37206	9.1
71.04993	2.4
79.05490	3.3
81.07057	3.2
85.02928	2.0
86.99074	1.2
91.05479	4.2
93.07039	2.2
94.04172	2.7
95.04980	1.5
95.08609	1.9
96.93373	1.2
97.02852	1.3
103.05466	8.3
105.07032	8.5
106.12158	1.1
107.04996	1.7
107.08639	1.8
109.10195	1.1
119.04963	1.5
121.06469	2.4
121.10137	2.2
122.03642	9.8
122.06010	1.4
123.04440	2.5
128.06258	1.6
131.04926	12.1
133.06506	15.2
135.08081	6.9
137.05991	100.0
139.36649	1.4
140.07115	2.1
145.06502	3.4
147.04425	1.4
147.08109	1.3
149.06055	2.2
151.07574	5.6
163.07556	31.6
165.05585	1.2
165.09140	2.8
171.08067	1.8
172.03937	2.2
175.07607	3.2
177.09111	6.9
177.16397	1.7
189.09138	2.4
191.07076	1.9
203.10464	1.2
204.06593	3.8
210.06833	1.5
225.08905	1.4
235.07527	2.0
253.08698	2.1
259.07825	2.9
263.10919	2.1
285.11261	4.4
295.09952	1.4
295.13214	2.1
299.09128	3.0
299.12494	1.7
313.10754	5.8
327.12277	4.6
345.06216	4.9
345.13831	5.4
345.18887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76564	0.9
53.03950	1.5
55.01890	0.9
55.05510	2.0
55.18954	0.9
57.03446	1.3
67.05508	2.8
68.15431	0.8
69.03436	3.7
69.07076	3.1
69.89545	3.4
79.05504	3.3
81.03419	2.5
81.07066	4.6
83.08642	1.5
85.02914	2.6
85.06558	1.5
91.05466	4.1
93.07050	3.9
94.04210	2.6
95.04976	1.6
95.08620	8.1
97.02895	1.4
97.10169	1.0
99.08103	4.7
103.05481	10.7
105.07063	5.1
107.04956	1.9
107.08615	9.4
109.06535	1.1
109.10175	5.3
111.08112	1.5
117.07074	2.3
119.04941	1.0
119.08604	1.6
121.06515	2.7
121.10162	15.2
122.03672	9.6
123.08044	1.6
123.11736	0.9
125.09633	1.7
127.03956	1.3
131.04951	13.7
132.03986	0.9
133.06514	13.7
135.08066	6.5
135.11720	2.7
136.05074	1.0
137.05994	100.0
137.09592	5.6
137.13220	2.2
138.06355	1.3
143.08565	1.5
145.06497	2.7
147.04439	1.0
149.05960	1.6
151.07555	5.5
155.00490	0.9
157.06412	1.2
158.99724	1.1
163.07568	31.6
165.09135	4.9
167.07095	1.1
171.08054	1.7
175.03773	1.1
175.07600	2.2
177.09125	17.8
177.16403	29.1
183.10184	1.2
183.13919	1.4
189.09082	2.1
195.10249	1.3
195.17462	6.6
203.10760	2.0
206.07388	1.0
207.08165	1.2
210.06732	1.0
213.18521	14.3
221.11629	1.1
235.11162	1.2
263.10840	1.2
266.15558	0.9
267.10114	1.6
285.11264	0.9
295.09833	1.3
295.13257	2.3
299.09338	1.9
299.12790	2.0
313.10806	2.1
327.15701	1.2
345.06131	3.1
345.13489	2.9
345.18823	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	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04240	0.7
67.05504	1.6
69.03432	0.9
69.41362	0.8
70.55120	1.6
79.05476	1.3
81.07044	1.3
83.05070	0.7
85.02942	0.7
88.22306	0.7
91.05489	3.3
93.07027	1.2
95.05004	0.7
95.08623	1.3
103.05483	8.2
107.08572	2.1
109.10195	0.9
111.04427	1.6
115.05441	1.4
117.07052	3.9
119.04957	1.0
121.06513	2.6
121.34366	0.7
122.03646	2.9
123.08091	1.4
123.11687	0.9
128.06259	1.2
131.04939	15.3
133.06441	0.7
135.08054	2.3
137.05991	43.3
137.09618	1.0
143.08586	1.5
144.74629	0.6
145.06509	1.9
147.08008	1.0
149.06001	1.3
149.09601	0.8
151.07562	12.7
159.08107	0.8
161.06009	1.4
162.06773	2.3
163.07556	37.1
165.09100	1.7
171.08025	1.0
175.07541	3.3
177.09125	100.0
178.09526	1.1
181.06613	0.8
195.10184	8.6
203.10730	0.9
207.08035	0.9
211.07631	1.1
221.11734	7.1
235.07550	1.2
239.07039	2.1
239.10829	0.9
243.06503	0.8
253.08638	1.4
267.10175	2.0
284.10443	0.9
299.09128	4.8
299.12778	3.0
313.10599	3.5
327.12360	2.7
345.06238	1.2
345.13229	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	345.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76564	0.9
53.03950	1.5
55.01890	0.9
55.05510	2.0
55.18954	0.9
57.03446	1.3
67.05508	2.8
68.15431	0.8
69.03436	3.7
69.07076	3.1
69.89545	3.4
79.05504	3.3
81.03419	2.5
81.07066	4.6
83.08642	1.5
85.02914	2.6
85.06558	1.5
91.05466	4.1
93.07050	3.9
94.04210	2.6
95.04976	1.6
95.08620	8.1
97.02895	1.4
97.10169	1.0
99.08103	4.7
103.05481	10.7
105.07063	5.1
107.04956	1.9
107.08615	9.4
109.06535	1.1
109.10175	5.3
111.08112	1.5
117.07074	2.3
119.04941	1.0
119.08604	1.6
121.06515	2.7
121.10162	15.2
122.03672	9.6
123.08044	1.6
123.11736	0.9
125.09633	1.7
127.03956	1.3
131.04951	13.7
132.03986	0.9
133.06514	13.7
135.08066	6.5
135.11720	2.7
136.05074	1.0
137.05994	100.0
137.09592	5.6
137.13220	2.2
138.06355	1.3
143.08565	1.5
145.06497	2.7
147.04439	1.0
149.05960	1.6
151.07555	5.5
155.00490	0.9
157.06412	1.2
158.99724	1.1
163.07568	31.6
165.09135	4.9
167.07095	1.1
171.08054	1.7
175.03773	1.1
175.07600	2.2
177.09125	17.8
177.16403	29.1
183.10184	1.2
183.13919	1.4
189.09082	2.1
195.10249	1.3
195.17462	6.6
203.10760	2.0
206.07388	1.0
207.08165	1.2
210.06732	1.0
213.18521	14.3
221.11629	1.1
235.11162	1.2
263.10840	1.2
266.15558	0.9
267.10114	1.6
285.11264	0.9
295.09833	1.3
295.13257	2.3
299.09338	1.9
299.12790	2.0
313.10806	2.1
327.15701	1.2
345.06131	3.1
345.13489	2.9
345.18823	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	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05502	1.6
56.37922	0.8
57.03428	0.8
58.15927	0.7
65.03951	1.5
67.05498	2.1
69.03420	2.6
69.07073	1.5
70.54059	1.1
70.54382	1.8
79.05486	2.8
81.03409	2.8
81.07049	4.2
83.04967	0.8
83.08613	1.1
85.02903	1.5
91.05476	5.1
93.03442	1.0
93.07027	3.3
94.04176	1.4
95.08596	3.7
97.02892	1.2
98.97583	4.5
103.05470	9.4
105.07032	2.2
106.90107	0.8
107.04944	2.0
107.08620	2.9
109.02889	1.0
109.06556	0.8
109.10136	2.2
111.04440	2.8
115.05440	2.0
117.07007	4.7
119.04904	1.7
119.08578	1.8
121.06532	3.8
121.10137	1.8
122.03658	4.0
123.04431	0.9
123.08051	2.6
123.11691	3.5
125.06108	0.8
126.09090	0.8
127.03918	1.1
128.06183	1.2
131.04929	16.6
131.08528	1.5
133.06425	1.0
135.08093	1.2
137.05981	47.7
137.09602	2.1
139.03894	2.0
141.12808	1.0
143.08620	1.7
145.06467	3.1
146.07304	0.7
147.11708	1.5
149.05978	2.3
149.09637	0.9
151.07556	11.7
158.99576	1.1
159.08063	1.9
161.05966	3.9
162.06732	2.7
163.07559	41.1
165.06976	1.3
165.09114	2.0
165.12718	1.2
167.07109	1.4
169.76393	0.8
171.08003	1.0
173.01247	1.1
175.07559	5.0
177.09114	100.0
179.08553	1.6
181.06519	1.5
183.13850	1.4
185.05962	1.2
188.08379	1.2
189.09029	1.0
192.06480	1.2
195.08302	1.6
195.10161	8.8
198.06694	1.7
203.10684	1.7
207.08078	2.7
209.06012	1.5
211.07486	1.0
213.05553	1.2
219.01872	1.0
221.11676	8.2
223.07660	1.3
224.08278	1.0
229.06015	1.2
235.07523	1.6
238.09914	1.5
239.07097	3.9
239.10684	3.3
241.08583	1.4
243.06514	1.6
244.99750	1.1
249.09277	0.9
251.06973	1.6
252.07890	1.2
253.08582	1.3
255.99196	0.9
256.07373	1.6
257.05536	0.9
265.08514	1.3
267.06357	0.8
267.10147	4.4
268.07385	2.6
269.08093	3.4
271.09607	1.3
281.11981	0.8
284.10379	1.0
295.09641	2.2
296.10376	1.4
299.09125	15.2
299.12766	5.3
311.12775	1.8
313.03488	1.2
313.10809	5.1
327.06143	1.9
327.12323	12.9
327.16046	1.6
334.87714	1.0
343.15540	1.5
345.06509	2.9
345.13303	12.5
345.17178	1.8
345.21417	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	345.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95033	0.4
53.03936	1.0
55.01873	1.2
55.05496	1.4
57.03436	0.8
57.07064	1.4
61.02919	0.8
67.05508	2.7
69.03433	6.9
69.06684	0.5
69.07069	11.2
71.04997	2.8
71.08636	0.8
71.54000	1.0
73.02901	0.5
79.05489	2.1
81.03416	1.9
81.07056	17.4
82.28870	0.5
83.04978	3.4
83.08641	1.1
85.02909	10.2
85.06544	3.5
85.53030	0.5
91.05495	1.2
93.07050	0.9
94.06582	3.3
95.04980	0.7
95.08607	3.9
97.02893	2.7
97.06518	2.7
97.10178	0.5
99.04460	2.5
99.08094	9.7
105.07034	1.6
107.08614	3.2
109.02899	0.7
109.06520	3.9
109.10157	2.2
111.08080	1.2
112.07616	0.6
113.06032	0.8
115.05521	0.5
116.04939	1.2
119.08585	1.0
121.10152	9.6
122.06048	5.3
123.04410	0.7
123.08063	1.8
123.11724	4.7
125.09639	8.0
127.03925	0.8
127.07532	2.4
129.05447	0.5
131.04915	1.2
137.05980	4.4
137.09621	1.7
137.13225	1.7
139.11197	8.4
140.07069	8.2
144.04482	2.9
145.05011	1.6
146.05988	1.8
147.11687	2.0
151.07558	1.0
162.05499	1.4
163.07547	2.1
165.09050	0.7
165.12791	5.1
172.03947	13.4
174.05566	0.5
175.07532	0.5
177.09119	4.3
177.16356	0.5
183.13815	100.0
184.14091	0.8
190.04988	0.6
204.06566	22.0
206.08159	4.3
239.05959	0.6
300.12347	0.6
309.75183	0.5
313.11740	0.6
314.33942	0.5
327.13431	0.5
338.00061	0.5
345.06137	1.0
345.14731	3.4
345.19043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05514	4.8
55.21298	1.1
61.02917	1.6
67.05498	3.3
69.03413	1.5
69.07082	10.4
69.27012	4.3
69.27438	5.6
69.62022	1.2
71.05011	2.3
73.02927	7.7
79.05504	3.5
81.07067	10.9
81.16098	1.3
83.08620	5.2
85.06531	3.0
91.05506	2.2
93.07064	9.9
95.08617	21.4
97.10177	5.2
98.20737	1.5
99.08112	15.2
103.05508	1.4
105.07051	2.2
107.08607	23.4
109.10163	7.3
111.08088	8.7
113.09660	1.5
121.10162	42.6
123.11734	1.2
124.07574	1.2
125.09632	4.0
131.04916	1.4
133.06442	1.8
135.11687	9.2
137.05981	12.4
137.09604	1.4
137.13290	5.9
140.07101	2.3
149.13258	3.3
155.85716	1.3
163.07544	5.1
167.07089	2.1
172.03949	2.8
177.09155	2.2
177.16412	100.0
178.16727	1.8
195.17458	18.7
204.06570	4.5
213.16463	2.3
213.18529	42.6
299.09027	1.5
299.12674	1.9
313.10938	1.9
327.12509	1.9
345.05984	2.2
345.13321	2.6
351.70248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2275
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.03939	1.0
55.01873	2.7
55.05516	29.0
56.34292	0.6
56.96560	2.1
57.03433	1.5
57.07077	0.9
59.04983	0.7
60.53473	0.4
63.46992	0.4
65.03953	0.5
67.05176	0.9
67.05509	11.9
69.03437	4.1
69.07072	15.8
70.31794	0.5
71.05000	0.6
71.53142	0.5
71.53510	0.5
79.05502	11.2
81.07063	13.4
83.04980	3.4
83.08626	20.7
85.02922	0.8
85.06536	1.4
89.87470	0.5
91.05479	2.6
93.07047	8.9
95.04957	0.9
95.08604	4.8
97.02885	0.6
97.06545	3.1
97.10180	50.8
98.97594	0.6
101.09665	0.9
104.99277	1.1
105.07050	1.4
107.04897	0.5
107.08607	12.8
109.06548	0.8
109.10172	2.4
111.08078	1.3
111.11717	1.3
117.07013	1.8
119.08568	1.4
121.10145	6.4
123.08108	0.7
123.11792	0.6
125.09644	42.8
127.98751	0.5
133.10130	0.6
135.08070	4.3
137.05969	0.9
137.09621	1.3
139.11191	13.3
143.10672	3.2
150.35312	0.5
153.09117	15.6
157.12254	6.7
161.09593	0.6
165.07762	0.5
165.09099	2.1
171.10175	8.2
171.11627	0.6
189.11237	100.0
190.11496	1.0
190.95428	0.6
191.11774	0.6
203.12744	2.5
233.35370	0.6
242.02121	0.9
262.98102	0.9
270.01755	0.6
271.02292	0.6
272.15335	0.9
273.18497	1.7
279.27847	0.5
283.66077	0.7
285.03992	1.4
287.01868	1.1
291.19629	1.3
301.67255	1.3
304.17355	1.0
309.20612	4.6
313.00095	0.7
313.03403	3.5
313.17883	1.0
315.01486	2.7
315.04691	0.7
327.21677	7.5
330.03705	4.5
343.47519	0.5
345.06082	12.7
345.09894	0.8
345.18869	5.1
346.06488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68410	1.6
52.04041	1.8
55.01859	2.4
55.05517	9.2
55.36700	2.0
57.03444	3.4
57.66047	2.0
62.87370	1.6
67.05493	7.6
69.03427	15.1
69.03785	2.5
69.07061	14.4
71.04989	3.5
71.08618	1.8
71.54523	3.3
77.79098	1.9
79.05502	7.0
81.03407	6.8
81.07054	23.9
83.08620	8.4
85.02898	7.1
85.06538	4.0
87.04486	2.4
88.11255	1.9
91.04954	1.5
91.05480	8.2
93.07037	15.7
94.04169	3.2
95.04976	3.9
95.08614	31.5
97.02895	5.9
97.10169	5.6
98.97596	4.4
99.08084	16.4
103.05465	8.5
105.07045	9.8
107.04968	2.7
107.08582	30.9
109.02892	2.1
109.06516	4.9
109.10152	11.6
111.08088	7.5
115.03902	3.0
117.06973	2.1
119.08594	5.8
121.06484	2.1
121.10149	44.8
122.03659	5.8
123.04414	3.2
123.11729	3.5
123.71116	1.6
125.09641	7.2
127.03905	3.2
131.04948	11.1
133.06494	13.2
133.10173	2.5
135.08046	5.4
135.11691	13.9
137.05981	79.9
137.09631	10.7
137.13240	6.9
145.05072	1.8
147.11719	2.4
149.13251	3.4
151.07542	6.4
163.07545	25.7
165.07117	1.8
165.09140	12.3
172.13303	3.1
173.13586	2.6
175.07588	3.8
177.09134	11.3
177.16385	100.0
183.13902	3.9
189.09079	2.1
191.07101	4.4
192.88298	1.8
195.17430	24.2
212.70055	1.9
213.18491	47.5
213.20444	3.1
299.09171	2.5
313.10681	4.9
327.08899	2.0
327.12244	2.7
345.06006	3.8
345.13452	6.0
345.18817	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	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.05516	22.4
56.96571	6.4
57.03430	3.6
57.07066	11.4
59.04999	5.6
65.03952	4.4
67.05503	29.5
69.03416	8.1
69.07072	53.7
70.07421	4.1
71.04987	6.7
71.08636	4.7
71.55267	5.4
79.05513	19.2
80.66365	3.1
81.03448	8.3
81.07061	100.0
83.04990	6.1
83.08620	21.2
85.02908	10.1
85.06538	14.7
85.94146	3.6
91.05484	19.3
93.07050	41.1
95.04966	6.6
95.08610	66.9
97.02819	5.6
97.06519	8.8
97.10147	3.9
98.22617	4.2
98.97570	8.8
99.08089	10.3
103.05467	5.5
104.69169	3.9
105.07033	23.5
107.04999	7.9
107.08611	45.9
109.02877	6.9
109.10159	51.8
111.04424	7.4
111.08083	15.4
111.11707	12.6
113.06031	3.5
113.15116	3.7
116.13055	4.3
119.04967	12.2
119.08595	17.3
121.02882	5.8
121.10159	28.3
122.03658	5.2
123.04437	5.3
123.08111	4.4
123.11707	29.7
125.09644	5.1
125.44340	3.4
131.04950	11.7
131.08551	4.5
133.06459	4.2
133.10181	6.0
135.07980	3.1
135.11697	18.6
137.06000	38.9
137.09610	22.3
137.13261	17.0
138.09038	3.4
139.03906	5.3
139.11191	7.1
145.10100	7.3
147.04431	39.4
147.11665	10.6
149.13261	21.9
153.12741	13.8
155.08514	4.4
155.14288	3.6
161.09608	3.8
161.13321	6.3
163.07477	8.1
163.14835	5.2
165.05470	5.3
165.06915	4.3
165.09111	17.1
165.12733	8.4
165.16461	4.4
167.03387	4.1
167.07140	8.8
167.14366	5.7
175.07549	7.6
177.09113	7.5
179.08539	4.7
181.06499	6.9
183.10172	5.9
183.13835	4.7
189.09161	4.8
191.07036	9.7
191.18239	4.1
198.06790	3.9
201.11081	4.0
205.19525	5.0
207.08092	6.6
210.06699	5.1
211.07553	6.6
213.05470	3.8
217.19479	4.1
223.07567	5.4
224.08289	4.9
225.09120	5.1
227.07016	4.8
234.06813	4.1
235.07481	3.4
237.09238	4.0
238.06229	3.4
239.06906	8.5
239.10814	8.4
252.07777	4.1
253.05003	4.7
253.08603	9.2
267.10153	13.3
268.07385	4.8
269.08044	7.6
270.08740	4.2
271.09491	4.8
271.13330	3.9
279.26855	6.5
281.11411	4.4
285.11249	8.4
291.26852	16.5
295.09598	12.0
299.09177	33.5
299.12723	8.4
309.27866	5.6
313.10635	29.0
327.12115	27.6
330.03723	7.5
345.06317	17.4
345.10001	5.0
345.13339	45.1
345.18915	51.0
359.00760	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01871	2.2
55.05513	16.0
57.03433	2.0
57.07074	9.1
59.05002	3.6
67.05507	22.0
69.03423	2.6
69.07070	62.8
69.68663	3.4
69.69070	3.5
70.07419	1.2
71.04999	2.5
71.08629	3.4
71.09018	1.3
78.61781	1.1
79.05491	13.6
81.07060	100.0
83.08624	16.5
85.06148	1.2
85.06550	13.6
87.93293	1.1
89.06035	1.7
90.75859	1.1
91.05482	5.6
93.07043	29.9
95.05008	1.8
95.08609	68.5
97.06544	7.8
97.10152	5.5
99.08103	8.5
100.17796	1.4
105.07027	6.0
107.08598	24.1
109.10164	26.8
111.04440	1.5
111.08090	16.4
111.11723	14.5
113.09637	1.7
114.84593	1.2
115.07583	1.5
119.08595	5.8
121.10157	13.8
123.04461	1.1
123.11717	33.0
125.09608	1.9
125.13294	1.6
127.11186	3.2
133.10094	2.9
135.11691	11.6
135.51686	1.1
137.05934	3.2
137.09616	2.1
137.13261	28.4
139.03914	1.5
139.11191	3.1
147.11688	3.7
149.13261	30.2
151.14864	2.9
153.12752	17.8
155.14290	8.2
159.11694	1.3
161.13269	1.6
163.14851	5.5
165.09160	2.1
165.12753	1.5
167.14328	6.3
171.13812	3.2
173.15402	3.1
177.16379	2.2
185.15379	1.1
187.07455	1.3
191.18033	2.6
211.07462	1.5
223.07506	2.1
225.09375	1.2
234.65404	1.2
238.09950	2.1
239.07114	2.1
239.10551	1.5
240.08171	1.3
252.07544	1.4
253.08675	2.0
267.10117	2.2
269.08121	2.7
273.12192	1.3
273.25714	2.8
279.26797	4.5
291.26898	9.7
297.27682	2.6
299.09204	8.1
299.12451	1.8
309.27838	14.3
313.03348	1.8
313.10733	3.5
315.01157	1.4
327.12192	5.8
327.28879	2.6
345.06073	5.1
345.13293	8.0
345.18893	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	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
53.67632	0.6
55.01870	2.6
57.03444	6.2
60.04548	1.7
61.02932	10.5
69.03431	15.8
70.06598	1.6
70.78825	1.5
71.04993	2.3
72.08133	0.8
73.02913	3.1
78.19768	0.8
79.05505	3.7
81.03423	7.2
83.57173	0.8
85.02909	100.0
86.09695	1.0
87.04454	1.6
91.03951	5.8
91.05466	1.4
93.07069	0.8
96.08276	1.0
97.02893	22.8
99.04480	4.3
101.02387	1.2
103.05471	11.6
107.04955	2.2
109.02877	8.4
115.03926	1.3
117.17173	0.8
121.06510	81.6
123.78259	0.8
127.03926	23.5
131.04947	2.4
138.09190	1.3
139.07535	3.1
145.04968	49.3
149.06001	1.9
153.05559	0.9
163.06023	12.3
167.05699	0.8
167.07059	13.4
169.04953	1.0
176.07086	2.1
180.08774	1.1
184.07416	1.5
184.09636	0.9
185.08147	1.5
245.76041	0.8
260.07574	0.7
329.12292	1.5
346.25891	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	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
54.16865	3.8
55.05514	26.5
56.96561	7.8
57.03444	7.8
57.07072	6.2
59.04989	3.8
65.03929	6.8
65.36457	3.2
67.05513	79.1
69.03456	3.7
69.07081	27.2
69.19566	34.5
71.04991	4.9
73.40018	3.1
79.05492	31.8
81.07060	70.7
83.04995	9.5
83.08644	22.1
83.09040	4.2
85.02863	3.5
85.06538	5.7
85.50375	3.6
86.28326	3.3
91.05489	25.0
93.07047	37.8
95.04993	9.7
95.08618	35.0
96.08908	4.8
97.06542	9.6
97.10186	16.8
97.95647	3.6
98.97591	45.7
105.07066	21.0
107.04942	3.8
107.08603	41.0
109.06531	7.8
109.10168	57.5
111.08067	6.7
111.38398	3.3
112.99157	4.0
116.98626	11.1
117.07038	12.7
119.08599	24.2
121.10166	14.4
123.11707	3.4
125.09618	20.3
131.00174	8.7
131.08556	13.1
133.10136	19.8
134.30762	3.3
134.99689	3.7
135.08023	3.7
135.11696	13.0
137.06076	5.5
137.09633	6.0
145.10136	9.7
147.11685	14.6
149.01282	7.3
149.09637	10.3
149.13289	16.6
155.10712	20.2
158.99658	18.6
159.11707	11.2
161.13309	6.3
163.11159	8.2
165.09187	5.1
172.19250	3.7
173.01254	10.5
173.11761	100.0
173.13193	6.8
177.00745	9.4
177.12709	4.7
189.11227	18.5
191.02296	9.3
191.06801	3.7
195.13847	43.2
201.00693	4.1
202.98625	6.6
213.14862	21.2
219.01891	6.5
244.99728	12.1
257.19003	9.0
275.20078	86.2
282.77536	3.7
288.02133	5.6
293.21155	20.7
300.09555	4.5
314.03687	17.1
316.01791	8.8
328.12460	5.9
331.04083	14.5
346.06381	47.4
346.13431	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	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95439	0.4
56.96564	0.4
57.07058	0.5
61.02890	0.5
67.05493	0.4
69.03427	1.1
70.06582	1.7
70.99850	0.6
71.32590	0.8
72.56075	0.4
73.02903	0.8
81.03406	0.7
82.99831	3.5
83.00312	0.5
85.02908	3.6
97.02866	1.4
98.97577	1.2
101.00876	18.6
113.00864	1.9
113.03480	0.6
119.01914	14.0
124.69266	0.4
127.03920	0.7
131.01881	2.4
137.02917	0.6
137.05933	0.5
138.05516	0.5
143.01892	100.0
144.02022	1.5
145.03442	0.9
155.01869	1.2
158.99626	0.8
161.02951	72.6
162.03072	1.0
167.05562	0.7
167.07050	1.4
173.02937	1.6
177.00656	0.4
184.04568	1.3
185.06592	1.0
185.09201	4.9
197.06581	0.9
203.04004	46.5
204.04126	1.0
209.06537	0.5
215.06505	0.6
219.01808	0.5
221.05045	0.6
227.07564	2.2
237.02789	0.6
244.04399	0.5
245.05063	1.1
257.05948	1.1
263.06107	0.9
266.06470	1.1
286.85553	0.4
287.09738	17.7
301.12445	0.6
329.11411	0.6
347.12317	6.8
358.11423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1316
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.51109	0.6
56.96550	1.2
61.02942	1.0
69.03444	2.0
69.85948	2.6
70.04078	0.9
73.02918	0.6
81.03413	1.2
82.75851	0.5
85.02909	3.6
97.02899	1.9
98.21458	1.1
98.97584	1.9
109.02908	0.8
116.98634	1.2
123.04453	0.7
127.03944	1.2
137.06024	1.0
139.40642	0.6
142.72487	0.6
145.04944	1.1
158.99698	1.2
167.06892	2.6
184.09796	0.6
185.04219	3.1
185.07878	10.2
186.12485	0.7
199.56076	0.6
203.05286	5.6
217.84927	0.5
219.01962	0.9
229.53818	0.5
230.88339	0.5
272.10544	1.0
285.13144	2.7
301.12619	15.7
339.45374	0.6
347.13123	100.0
347.16876	53.1
348.13528	1.4
348.17358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03944	4.7
55.01870	5.5
55.05507	3.4
56.96561	2.4
60.04522	6.6
62.08435	2.2
66.85947	2.1
67.05495	3.9
69.03439	7.2
69.07083	3.9
70.06580	2.0
71.05004	2.5
71.36540	1.9
71.53797	2.4
79.05492	16.2
81.07045	6.0
83.04984	5.6
85.02895	3.8
85.06525	2.8
91.05490	24.2
93.07043	11.6
94.40892	2.4
95.04978	6.9
95.08621	3.8
97.02937	2.8
98.97591	6.5
103.05483	10.2
105.07030	8.0
107.04961	30.8
107.08553	5.3
109.06501	3.0
117.07057	3.2
119.04954	8.7
119.08590	5.1
120.44592	2.5
121.06504	28.3
123.04403	18.3
124.05265	4.8
124.06428	1.9
125.05991	4.9
127.03844	3.1
127.11163	2.6
128.06230	7.2
129.06996	27.6
131.04953	8.6
131.08607	6.5
133.02808	5.8
133.06528	7.2
135.04378	5.1
137.05991	29.2
139.09459	3.0
140.04665	2.4
145.06480	4.5
147.04427	51.4
147.08073	14.3
148.05141	2.6
149.05994	29.3
151.03917	4.4
151.07571	7.8
152.04681	2.6
153.05473	18.7
153.06874	4.7
155.07150	2.4
155.08542	2.8
157.06473	14.6
160.05244	5.0
161.06020	11.6
161.09636	2.4
163.07536	12.7
165.05475	7.4
165.07004	9.6
166.06256	5.7
166.07745	2.3
167.07069	77.0
167.08574	6.7
167.10699	4.3
169.06561	2.8
175.07555	100.0
177.06982	4.5
177.09204	4.5
178.05029	7.7
179.07018	7.8
179.08450	4.2
180.07869	11.5
180.26906	2.5
181.05125	2.6
181.06558	7.7
181.08594	72.2
181.10182	3.8
182.07111	2.5
183.08177	4.1
185.11703	6.8
189.09073	5.5
191.08592	4.4
193.08653	13.1
194.07330	2.5
195.08029	12.3
197.05957	4.9
198.06818	5.2
208.08812	5.2
209.06036	5.9
209.09567	3.3
210.06671	2.8
211.07536	10.4
213.05363	4.1
213.09171	4.8
219.08170	7.3
221.06042	3.7
222.06787	4.3
223.07587	7.2
223.11272	3.2
225.09103	4.3
226.06293	5.7
227.07079	3.4
237.05482	3.5
237.09087	3.9
239.07066	7.4
240.07761	3.4
241.08694	6.4
243.10149	5.5
247.07565	4.0
251.07086	6.0
251.10674	5.9
253.08604	5.5
255.06464	2.7
258.08920	2.9
265.08649	4.3
269.08133	10.0
269.11346	3.0
271.09634	14.1
272.10437	3.0
273.11261	2.8
279.10165	4.5
283.09692	6.6
283.13242	5.3
285.11295	4.5
288.09985	6.3
297.11200	8.5
301.10748	26.9
303.12372	11.2
311.12921	4.1
329.10526	3.0
329.14105	14.3
347.15894	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	347.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01865	5.0
55.05497	4.7
56.13992	2.2
56.96552	5.2
60.07664	2.3
60.38504	2.2
63.01667	2.1
65.03938	4.8
67.05496	8.7
69.03413	4.5
69.07049	4.0
71.04977	3.4
71.54537	2.6
76.11013	2.2
77.42439	2.3
78.04684	2.5
79.05501	14.1
81.03418	5.2
81.07043	6.2
83.04977	3.6
83.08591	2.7
85.02905	7.4
91.05484	33.5
93.07050	21.2
95.04968	11.8
95.08594	6.4
97.06532	3.5
98.97575	5.7
99.04472	3.7
103.05472	11.3
105.07038	15.9
107.04955	38.6
107.08591	6.3
109.02872	4.5
109.06516	3.1
109.10145	6.3
111.04415	3.0
115.05399	4.3
117.06995	7.7
119.04943	6.6
119.08557	10.8
121.06506	30.5
121.10110	4.5
123.04437	24.6
123.08091	4.2
124.05135	5.6
125.05988	5.8
125.09584	2.6
127.03873	2.5
128.06229	10.2
129.07005	35.1
131.04916	6.5
131.08575	7.7
133.02882	2.8
133.06516	4.2
133.10120	4.9
135.04420	8.8
135.08093	5.5
137.05972	30.8
137.09621	2.9
139.04010	2.6
140.04610	3.3
141.06982	2.5
143.08542	3.2
145.06511	5.4
145.10132	3.8
147.04405	55.4
147.08060	19.1
149.05988	27.0
149.13210	2.6
151.03911	8.5
151.07544	11.4
152.04669	4.2
152.06136	2.7
153.05476	22.1
153.06670	3.8
155.06989	2.9
155.08585	2.6
157.06508	17.7
157.10048	2.3
159.08017	3.4
159.11620	3.4
161.05971	9.6
161.09599	2.8
161.72746	2.6
163.07573	11.1
165.05473	7.6
165.07001	9.6
166.06238	7.7
167.07051	100.0
167.08574	7.6
169.06447	3.1
169.10049	2.5
175.07549	98.7
177.05486	4.5
177.07050	3.4
177.09070	3.2
179.07013	5.7
179.08492	4.8
180.07825	8.9
181.05099	4.4
181.06567	9.3
181.08595	87.8
181.10165	6.4
182.07224	4.6
183.08047	3.3
185.06000	3.0
187.07553	2.4
190.04099	2.5
191.07057	4.0
191.08615	5.6
193.08603	12.5
193.10153	2.5
194.07256	3.6
195.08084	12.3
197.05908	4.2
197.09570	2.5
198.06799	5.2
205.06522	2.4
208.08896	4.1
209.05991	6.4
209.09639	7.1
210.06760	4.9
211.07498	9.1
213.05661	3.5
213.09074	4.8
219.08081	5.8
221.05946	3.1
222.06793	3.2
223.07529	10.4
223.11121	3.7
225.05515	3.3
225.09067	5.8
226.06239	5.8
227.06993	5.0
228.07858	3.8
236.08276	5.3
237.05432	4.7
237.09053	4.4
239.07005	9.7
240.07881	6.6
241.08574	8.5
243.06435	3.9
243.10182	7.6
251.07140	2.9
251.10593	6.9
253.08569	4.8
265.08585	3.5
269.08090	10.9
269.11783	3.6
270.08600	3.9
271.09689	22.4
271.12430	3.8
272.10388	2.4
279.10226	6.0
282.08380	4.8
283.09552	7.3
283.13199	4.2
285.11081	3.5
286.08240	3.3
288.09818	5.9
297.11188	10.1
299.88782	2.3
300.09662	3.1
301.10712	34.3
301.14053	4.5
303.12180	9.3
311.12814	4.8
315.11594	2.9
317.10242	3.7
317.13593	2.8
327.42511	2.5
329.10419	4.0
329.13733	24.0
347.07693	5.0
347.14734	29.5
347.18719	4.0
365.09238	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1491
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03955	4.7
54.12862	1.7
55.01872	6.3
55.05507	3.1
65.03951	3.3
67.02831	1.6
67.05502	5.7
68.99796	2.0
69.03433	2.3
69.07058	3.4
71.53751	3.1
76.83112	1.9
77.03934	3.0
79.05499	14.1
81.03429	4.2
81.07050	6.0
83.05003	2.2
83.05976	1.8
83.08608	2.2
85.06548	3.1
91.05490	23.6
93.07049	14.4
95.04977	8.5
95.08592	3.3
97.15240	1.9
98.97578	6.2
101.35213	1.9
103.05459	9.3
105.03435	2.4
105.07045	7.4
106.04257	1.8
107.04967	34.4
107.08611	2.9
107.63834	1.7
109.02883	3.6
109.06545	4.1
109.10181	2.2
111.04449	3.6
115.05451	3.4
116.98623	2.5
117.07021	7.4
119.04974	4.2
119.08587	7.2
120.05756	3.0
121.06503	28.7
121.10119	3.3
123.04428	23.2
124.05202	5.2
125.06033	4.2
128.06219	9.2
129.07008	34.6
131.04939	6.6
131.08563	7.6
133.02856	3.5
133.06506	7.0
133.10107	2.7
135.04398	6.3
137.05977	27.1
138.03181	1.9
139.03883	3.0
140.04707	2.8
145.06468	5.0
145.10246	2.0
147.04416	50.4
147.08038	17.0
148.05219	2.2
149.05988	29.7
149.07111	2.0
151.03954	7.1
151.05194	2.1
151.07570	7.5
152.04694	4.9
152.06149	3.2
153.05490	19.3
153.06886	3.4
154.06282	2.9
155.07152	2.9
155.08578	3.0
157.06482	21.6
159.07977	2.9
160.05190	4.9
161.06003	9.8
163.03911	3.1
163.07539	9.8
165.05499	7.6
165.07034	7.2
166.06378	9.9
166.07544	2.0
167.07059	100.0
167.08578	7.9
169.06471	2.2
171.07933	2.8
173.05983	4.3
174.06810	2.3
175.07552	92.0
176.08076	2.4
177.07005	4.4
177.09157	4.4
179.07021	5.5
179.08505	2.9
180.07825	13.4
181.05113	2.1
181.06561	7.2
181.08606	74.7
181.10202	4.4
182.07172	2.6
183.08073	4.2
185.08037	1.7
185.09636	3.9
187.07599	2.4
189.09129	3.7
191.07045	2.7
191.08575	5.6
193.06856	2.2
193.08629	16.3
194.07321	3.0
195.08070	12.8
197.05948	2.2
197.09601	5.0
198.06802	4.9
199.07607	2.8
203.06966	2.0
207.08121	3.4
208.05246	2.0
208.08760	3.5
209.05922	4.0
209.09584	2.8
210.06787	2.3
211.07507	8.3
213.05577	4.3
213.09105	4.1
218.07452	2.0
219.08057	5.1
221.05971	3.5
222.06572	2.0
223.07544	8.3
223.11201	3.5
225.05544	2.9
225.09140	6.3
226.06271	7.9
227.07028	3.5
227.10834	2.8
228.07692	2.9
235.07619	2.4
236.08459	3.4
237.05386	4.1
237.09077	4.0
239.06982	7.7
239.10667	3.4
240.07828	4.7
241.08575	6.9
243.10135	8.4
247.07555	3.7
251.07053	5.7
251.10641	6.0
253.08633	5.0
255.10176	4.3
256.07288	2.3
257.08133	2.3
258.52747	1.9
265.08542	4.3
269.08084	10.5
269.11755	3.7
271.06644	2.7
271.09674	19.1
279.10141	2.5
282.08377	7.9
283.09702	6.7
283.13293	5.3
285.07629	3.0
286.08441	3.1
288.09909	6.9
291.09012	2.8
293.11829	2.7
297.11224	9.3
300.09631	3.9
301.10672	32.7
303.12302	9.0
311.12857	5.2
311.17380	3.5
315.12103	2.9
317.13727	4.9
329.10223	3.8
329.13867	22.1
329.17749	3.2
347.15067	20.6
347.19193	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	347.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01872	2.7
56.96558	2.2
57.03443	5.0
57.07076	1.1
59.59807	0.8
63.61718	0.9
65.18502	0.8
69.03419	2.8
70.06596	2.0
71.04986	1.5
71.53156	1.4
71.80791	0.9
75.04475	3.8
79.05479	1.2
81.03420	1.6
81.07067	1.8
83.04992	2.5
85.02905	4.8
85.06552	1.5
86.09702	3.7
91.05489	5.8
93.07050	1.6
95.04982	3.3
97.02891	2.8
97.06525	0.9
98.97581	3.6
99.04446	2.3
103.05444	2.1
105.07024	1.0
107.04945	3.2
109.02905	1.5
109.06512	1.1
111.04440	1.1
113.29064	0.9
116.07064	1.2
119.04932	3.6
119.08604	1.1
121.06509	9.3
122.03685	1.4
123.04469	2.3
125.05994	2.3
127.03911	1.8
131.04916	2.1
131.08517	1.1
133.06470	1.1
135.04431	1.0
137.05988	13.8
138.09140	1.2
139.67130	0.9
141.06966	2.3
149.05997	23.7
149.09517	1.0
151.03949	1.1
151.07550	20.0
152.06219	3.9
153.07004	20.3
163.03885	0.8
163.07570	1.5
165.06992	5.1
167.07167	1.7
167.08578	2.6
167.10655	2.0
169.06490	8.6
170.07256	2.0
175.07530	1.8
177.05550	1.5
177.09167	1.0
178.05002	1.9
179.07085	1.1
180.05678	1.6
180.18674	0.9
181.06491	27.1
182.07248	1.8
183.08060	1.7
185.04657	0.8
185.08113	1.5
185.09636	1.4
187.07483	1.6
193.06387	1.6
195.08041	6.0
196.05267	1.3
197.05991	15.7
198.06781	5.0
201.09200	1.7
203.05887	2.5
207.04468	9.4
209.05994	8.7
209.07971	2.0
210.06795	1.3
211.07562	14.4
213.09151	20.4
214.06323	1.7
215.07018	2.4
219.01924	1.2
221.06918	1.6
223.07536	2.3
225.05502	5.6
226.06293	2.2
227.06937	1.7
227.10748	0.9
229.08586	3.0
239.06981	6.4
241.08604	24.3
242.09312	2.1
243.06604	2.0
255.10115	1.8
257.08124	2.7
258.08908	69.1
270.08765	1.7
271.09723	11.6
272.10458	100.0
273.11224	50.1
279.10141	1.1
299.12793	1.4
301.12509	1.6
311.12860	3.3
314.11459	2.5
329.11053	2.0
330.10291	1.0
347.09732	1.3
347.12949	3.5
347.16345	3.3
361.53580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.28720	0.8
55.01873	1.3
56.96574	1.5
57.03428	2.7
61.02918	3.4
66.60463	0.7
69.03425	5.9
69.93740	0.7
70.06596	0.8
71.27581	0.7
71.54107	1.0
73.02907	1.1
79.05484	1.2
80.61657	0.9
81.03413	2.4
81.07043	1.5
84.04488	1.3
85.02910	24.0
91.05489	14.3
93.07056	1.4
95.04978	2.2
95.08603	0.9
97.02898	7.8
98.97569	2.9
99.04454	1.7
105.07058	1.6
109.02874	2.4
109.06535	0.8
116.98660	0.9
119.04936	12.7
121.06469	1.5
123.08131	1.2
126.05522	0.9
127.03929	5.3
127.20299	0.9
130.06483	1.5
133.06421	1.0
136.05212	1.4
136.06143	1.5
137.05968	3.3
138.09158	1.5
140.07104	0.9
145.04953	6.1
149.05998	2.3
151.07547	100.0
152.07828	1.4
153.01831	0.9
153.06987	1.2
154.07411	1.1
154.08664	0.9
162.09166	0.8
165.09102	1.3
167.07138	1.0
167.10794	0.9
168.04837	1.2
168.06541	0.7
168.10167	1.3
169.08633	14.4
172.07582	1.1
175.07526	1.2
180.08749	1.8
181.06496	1.8
181.08684	1.5
182.06818	2.7
186.05705	1.1
186.11263	3.7
193.08624	1.7
198.06361	1.9
208.09631	1.6
211.07484	1.0
212.07851	1.3
214.09441	1.6
226.05667	0.9
235.09792	0.9
237.02797	1.0
241.08698	1.0
242.08804	1.6
258.08810	1.5
259.09253	7.8
272.10187	2.3
273.10812	12.2
274.11523	4.7
276.79053	0.9
277.10638	1.9
313.12076	1.0
318.09198	1.0
346.49719	0.8
348.10541	1.3
349.13766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62466	1.0
51.27434	1.0
55.05506	5.2
56.96561	2.0
57.03420	1.3
57.24827	1.2
66.36449	1.1
67.05489	3.2
69.03437	4.0
69.07061	2.6
71.04985	5.9
71.54208	1.5
79.05503	6.8
81.03429	1.4
81.07052	20.0
83.04996	1.5
85.06503	1.1
91.05484	4.9
93.07043	16.2
95.08597	3.1
97.06508	1.7
98.97578	2.2
99.04465	5.9
105.07024	26.5
105.07678	1.8
107.04964	1.8
107.08595	18.5
109.06521	3.7
109.10184	1.7
117.07011	3.3
119.04959	1.3
119.08597	8.7
121.06509	8.7
121.10139	24.1
127.07539	1.5
130.07806	1.5
131.08565	2.7
135.08055	5.3
135.11711	8.4
137.06052	1.0
139.07555	1.3
143.08621	1.3
145.10126	26.8
147.04459	1.4
147.11713	3.9
149.06046	1.6
149.09645	2.5
152.26865	1.1
153.08965	1.1
163.11186	93.6
173.09645	3.0
181.12256	9.3
191.10674	33.9
208.84425	1.1
209.11737	100.0
227.12794	21.7
307.40625	1.4
313.12900	2.2
324.16711	1.2
347.67416	3.4
348.18088	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	348.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05523	0.4
56.96572	0.7
57.03439	2.2
59.73764	0.4
61.02925	2.1
61.91531	0.3
69.03435	6.9
69.07079	1.0
69.84669	2.0
70.04082	70.7
71.03791	0.4
71.04987	1.0
73.02923	1.4
79.05519	1.3
81.03424	2.3
81.07061	5.1
85.02910	14.3
87.04470	1.4
91.03980	1.0
95.04992	0.5
95.08594	0.5
97.02895	5.5
98.97592	1.2
99.04469	1.1
99.08099	6.3
101.02409	0.5
109.02888	2.1
110.97612	0.5
111.04491	0.6
112.05110	0.4
116.98670	0.6
119.40353	0.3
123.04451	1.3
123.08100	1.5
127.03926	3.3
136.06212	1.5
137.06020	0.4
137.46530	0.4
141.18475	0.4
145.05009	1.5
150.10229	1.8
151.07521	0.8
158.99817	0.4
168.10228	3.9
168.11398	1.5
169.04871	0.4
171.06531	0.6
178.24567	0.3
186.12404	100.0
187.12833	0.9
217.08588	0.3
251.08528	0.4
300.84131	0.4
315.85318	0.3
348.13403	2.5
348.17517	22.0
350.64661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24975	1.2
63.14660	1.4
63.34873	1.2
66.21550	1.5
67.03729	1.5
70.03388	6.3
78.95325	1.4
98.21440	1.5
101.00867	5.3
119.01931	3.0
131.01884	3.9
137.04732	1.4
143.01843	2.1
145.01662	2.5
163.02660	1.6
168.99858	4.0
169.03418	2.1
169.06833	4.9
170.28838	1.4
173.03008	2.5
187.05798	2.3
187.07866	4.0
196.99387	2.4
215.00317	4.9
217.19527	1.5
229.01906	3.4
232.32034	1.5
247.02930	6.9
256.52841	1.5
259.64743	1.4
284.62503	1.5
289.04062	2.2
331.09839	2.0
349.05301	51.2
349.10956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25965	1.3
53.03949	12.3
55.01876	10.1
55.05510	3.8
56.96556	2.3
57.03429	8.3
61.02915	4.6
65.03944	1.5
67.01858	1.6
67.05506	8.8
69.03432	67.1
69.07069	4.1
71.01357	5.0
71.04986	12.2
71.54195	1.9
73.02910	4.9
73.31523	1.3
76.28983	1.4
79.05480	6.5
81.03419	64.3
81.07048	7.9
83.04974	6.6
85.02908	51.9
91.03952	2.5
91.05472	5.9
91.13200	1.4
93.07038	5.4
95.01327	2.2
95.04964	6.5
95.08611	4.0
97.02893	38.2
97.06517	3.2
99.04457	26.8
99.69461	1.5
101.02382	3.5
103.03946	5.4
105.07043	8.7
106.77763	1.8
107.04993	3.8
107.08585	4.0
109.02883	45.3
111.04432	7.8
115.03935	5.4
117.06995	2.0
119.04957	1.9
119.08561	4.0
121.02876	1.7
123.04425	6.4
123.08110	1.8
125.02431	1.9
127.03921	69.5
129.05511	3.9
131.08591	2.9
133.10103	3.5
135.04425	1.5
137.06026	1.8
137.41023	1.7
139.03882	8.5
141.05441	2.1
143.03403	3.5
145.04950	13.3
145.10124	3.5
147.04439	3.5
151.03934	3.3
157.04924	1.8
159.11729	2.6
162.23213	1.4
165.05475	5.9
169.04994	6.1
187.06021	100.0
205.05177	1.5
205.07068	3.0
253.07014	5.2
267.09106	3.3
271.08090	5.1
275.20166	5.2
283.08112	1.7
285.10120	2.9
331.10297	1.8
349.11325	9.2
349.20081	4.0
349.23907	4.5
374.14487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1131
Annotation	Stilbericoside
Peak:m/z	Relative Intensity
50.79175	1.4
53.03949	13.7
55.01884	12.4
55.05501	4.0
55.68421	1.7
56.96581	1.6
57.03441	8.1
61.02922	4.5
67.05515	9.7
69.03438	69.4
69.07053	5.1
69.18069	3.5
69.18481	13.0
71.01351	3.6
71.05004	11.7
73.02917	6.2
79.05482	6.3
81.03427	68.0
81.07048	5.8
82.54682	1.3
83.04975	6.6
85.02915	54.3
91.05464	7.3
93.07053	5.3
95.04961	4.8
95.08582	4.5
97.02902	37.0
97.06547	1.5
99.04465	28.5
101.02348	2.0
103.03952	5.8
105.07061	7.5
107.04945	3.2
107.08617	3.8
109.02891	45.4
109.06444	1.5
111.04430	3.4
115.03937	4.3
117.07008	2.0
119.04918	2.2
119.08582	5.2
121.10175	1.4
123.04453	4.1
125.02338	1.8
127.03931	73.4
129.05434	5.4
131.08549	2.1
133.10097	4.3
135.08031	1.5
137.05920	1.8
139.03923	9.0
141.05478	1.3
145.04996	11.7
145.10100	2.3
151.03923	4.2
158.96008	1.4
159.11710	2.4
165.05495	4.7
169.04968	3.3
173.04414	1.6
175.03926	2.1
181.04988	1.9
185.13268	1.8
187.06032	100.0
193.04970	3.9
194.10109	1.6
204.48050	1.4
205.05025	1.8
205.07112	2.5
229.07190	1.8
253.07205	4.9
267.09033	2.0
271.08160	3.4
275.20111	6.0
285.10147	4.6
313.09232	2.2
331.10336	2.0
331.22339	1.9
349.11423	8.1
349.20114	4.3
349.24225	3.3
349.28513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1395
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.93694	0.5
55.01866	1.8
55.05512	3.1
67.05512	1.0
69.03413	1.3
71.53571	0.9
73.00191	0.5
79.05489	0.9
81.07066	1.6
83.04969	1.9
83.08575	0.7
85.02905	1.3
87.16271	0.6
89.42170	0.6
91.05492	1.3
97.02902	0.8
98.97581	1.0
105.07061	1.0
107.08597	0.6
109.02899	0.7
109.04687	0.5
109.10164	1.1
111.04437	0.8
115.05453	1.3
121.06519	0.9
122.06004	0.9
123.04439	0.8
124.07590	1.0
131.04987	0.8
131.08643	0.7
137.06007	0.7
139.03831	0.9
140.07065	1.1
143.04939	1.3
145.09998	0.6
149.06006	1.3
151.03865	1.9
159.04308	0.6
160.07535	0.7
161.06024	0.7
167.06995	0.8
171.04439	1.2
175.07422	1.1
175.08713	1.7
177.05388	3.3
178.08632	2.2
181.05000	1.5
183.09210	0.9
186.09198	0.8
187.08670	1.1
188.04852	0.8
189.10263	0.6
196.09898	0.8
197.10690	1.0
197.84038	0.6
199.08662	3.0
201.10249	1.5
203.07039	2.3
207.06589	1.3
211.08730	1.6
211.12201	1.3
212.09407	0.9
213.10246	1.4
215.08208	4.3
215.11792	3.0
217.09752	12.6
225.10158	1.7
226.08727	0.7
226.55560	0.7
229.09785	2.4
230.10396	0.6
231.06548	7.0
231.11301	2.1
239.08278	1.2
239.11778	6.0
243.07646	1.7
243.11366	5.5
245.08757	0.7
245.12964	0.8
249.07635	2.5
253.09941	1.0
256.09637	0.7
257.09406	2.9
257.12723	3.0
261.12390	1.6
267.11307	7.4
271.10828	5.0
273.12268	2.8
275.10291	2.4
285.12366	10.1
287.13712	1.3
289.11746	2.7
293.11188	1.3
295.10812	8.1
301.11679	1.1
303.13449	4.1
313.08304	1.2
313.11816	18.3
319.12894	8.8
321.14459	0.9
331.12903	21.8
349.13925	100.0
350.14130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05504	4.2
57.07056	2.4
66.63763	1.7
67.05493	5.2
69.07069	10.3
69.70614	10.7
70.01561	1.8
71.04996	2.2
79.05492	4.0
81.07066	8.8
83.08627	4.3
91.05494	2.6
93.07047	7.4
95.08611	6.9
97.06535	4.2
97.10159	1.8
101.88380	2.1
105.07039	3.7
107.08613	7.0
109.06506	6.4
109.10160	4.6
119.08631	4.5
121.10147	5.7
123.08076	57.1
123.11674	2.7
125.09652	1.8
133.10129	3.1
135.08073	3.5
137.09641	4.5
147.11580	2.8
159.11687	3.0
179.14287	5.1
194.02342	2.3
275.20126	3.1
292.47034	2.1
293.21057	12.8
349.18451	4.0
349.27396	100.0
369.71716	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	350.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05524	0.9
61.02933	1.6
65.03951	5.2
68.99802	1.9
69.03453	4.5
69.91526	1.5
69.91943	2.7
81.03418	1.8
83.04995	2.8
85.02913	13.9
85.63332	0.8
93.03418	4.4
96.25259	0.7
96.66019	0.7
97.02890	4.6
99.04456	1.2
109.02895	1.1
111.04459	24.8
121.03996	2.6
123.04472	0.8
127.03902	4.4
139.03925	74.5
145.04984	2.6
156.04214	3.3
171.06546	100.0
172.06947	0.9
180.08711	2.0
336.99448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89330	4.3
55.05513	10.8
57.03429	7.0
61.02923	5.7
67.05494	9.3
69.03413	14.0
69.07063	7.6
69.75483	20.0
71.04994	61.8
79.05487	10.9
81.03420	16.6
81.07061	100.0
83.04976	10.6
83.08582	7.5
85.02908	55.8
85.06527	23.1
86.09702	13.8
91.05502	11.2
93.06474	7.9
93.07037	66.8
95.04935	8.4
95.08604	29.2
97.02877	13.5
97.06541	10.5
98.20841	5.8
98.97597	9.2
99.04463	6.5
105.07027	11.8
107.08597	71.1
109.02831	5.6
109.10161	11.2
122.02750	7.2
123.83247	5.1
125.09686	5.2
127.03904	14.3
131.08719	6.0
133.05031	5.4
133.10143	7.4
135.11690	71.9
137.13280	27.1
145.04971	21.6
145.10074	5.5
153.12773	18.3
163.06044	5.1
178.74583	4.8
189.05630	4.6
192.92239	5.3
193.12282	13.9
211.13229	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05519	0.8
56.96553	0.9
57.07082	4.1
58.06604	1.9
60.04501	0.5
67.05492	0.6
68.05016	0.6
69.03414	0.8
69.07053	0.8
69.17901	3.1
69.18319	0.8
70.06596	19.5
71.04977	0.5
71.08642	2.1
72.08163	3.4
79.05518	0.6
81.03404	1.1
81.07051	1.4
84.08145	3.5
85.02888	0.8
86.09710	3.8
87.04493	0.5
88.07625	2.1
89.06036	2.1
91.05466	0.8
93.07042	0.7
95.08597	1.8
96.31247	0.4
97.02876	0.5
97.06516	0.5
97.07618	0.6
98.20710	0.7
98.97572	1.6
105.07041	4.1
107.08585	0.9
109.02870	0.5
109.10163	0.6
114.09154	2.0
114.10292	1.1
115.10633	0.5
116.98648	0.4
119.08576	0.7
121.10147	0.4
123.04479	0.5
127.03875	0.6
132.10213	7.2
133.10136	2.5
139.03857	0.9
146.11766	8.1
153.01790	0.8
156.17477	2.3
161.09648	1.9
161.13219	0.6
163.11143	0.6
174.12708	0.4
175.36798	0.3
176.12822	1.7
179.10614	0.4
179.14285	0.4
181.77023	0.4
182.19041	1.7
184.20660	0.4
189.09183	0.6
190.14426	1.1
200.18492	0.4
200.20030	1.9
244.22736	40.2
247.18900	0.9
288.25357	14.8
289.21158	0.7
306.23715	3.1
326.16379	0.9
350.29022	100.0
351.29337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13260	2.6
50.34976	2.6
54.23452	2.6
54.94388	2.5
56.96560	3.3
71.52734	4.4
73.27696	2.7
88.18059	2.4
88.47900	2.5
98.97571	7.4
101.00896	12.6
112.89565	8.1
113.00902	3.3
117.79702	3.0
119.01884	9.4
124.99082	4.8
127.02369	9.1
131.01862	4.4
133.03424	10.8
143.00188	7.0
143.01924	14.0
144.97069	2.8
145.03477	19.0
155.01831	9.8
156.65269	2.9
157.03427	8.4
161.02922	8.2
173.02939	12.9
175.04465	8.4
185.01212	3.2
185.02936	7.4
187.04457	7.7
189.02449	10.0
203.00652	3.6
203.04005	22.6
210.04573	3.1
213.00673	3.2
215.04060	6.0
221.05043	5.2
231.01404	3.5
231.03415	7.0
245.05064	19.8
249.02692	3.5
253.00882	2.5
263.06113	21.0
267.03787	3.0
268.98282	13.1
281.55820	2.5
291.03632	10.6
291.06039	4.8
307.41312	2.6
309.04550	4.7
309.06897	4.2
350.97656	3.9
351.06894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23578	1.1
55.01866	1.6
56.96541	1.3
57.03440	6.8
59.11061	1.1
61.02920	3.3
61.81703	1.1
64.55172	0.9
67.05489	2.3
67.17999	1.0
69.03075	1.8
69.03432	24.1
69.07081	1.3
71.01351	6.4
71.53783	1.0
73.02905	4.6
79.05506	1.2
81.03422	1.3
81.07050	3.1
83.01328	1.7
83.04939	1.6
83.08611	1.2
85.02905	34.8
87.04462	2.3
88.86588	1.1
91.05468	2.9
93.07052	2.8
95.01331	37.9
95.04956	1.4
95.08591	1.3
96.59592	1.2
97.02293	1.8
97.02897	30.2
97.28757	1.1
98.97601	1.7
99.00815	2.8
101.02373	2.3
103.03938	3.5
105.07006	3.0
107.08629	1.5
109.02885	1.2
113.02367	8.6
115.03934	18.2
116.98623	1.1
119.08559	1.7
123.00783	2.0
127.03870	1.3
129.05463	1.2
131.03383	1.5
133.10162	1.8
135.11591	1.1
138.13492	0.9
141.01830	100.0
147.11679	1.4
157.04964	22.6
159.02855	4.4
161.09680	1.3
169.01340	2.9
175.06056	9.7
205.03479	1.7
267.09076	1.3
272.82831	1.0
285.10199	1.9
322.69025	1.0
333.08099	8.3
333.24243	1.2
351.17911	2.1
351.21701	2.0
351.25858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21290	0.6
54.27071	0.6
56.96297	0.9
56.96569	14.0
57.03429	0.8
58.06612	0.7
61.02942	1.2
65.97295	0.5
67.05513	0.7
69.03446	3.9
71.05001	1.1
71.52831	1.0
71.95274	0.7
73.02937	1.1
81.03416	2.2
84.96032	2.3
85.02910	8.1
86.09707	0.8
91.05474	0.6
91.26917	0.5
96.36644	0.6
97.02898	4.0
98.97591	100.0
99.04456	0.8
101.00885	3.2
109.02864	1.4
110.97576	9.7
112.99143	2.0
113.00914	0.9
115.82298	0.6
116.98633	28.5
119.01919	4.9
121.01629	0.7
124.99108	1.9
127.00663	1.2
127.03912	2.7
128.98631	6.7
131.00188	1.7
131.01900	1.3
133.01672	1.0
134.99667	4.8
140.00194	0.9
140.98653	1.5
141.03857	0.6
143.00201	4.0
143.01903	2.8
144.13855	2.2
144.98080	1.5
145.01707	2.1
145.03459	2.6
145.04976	1.6
146.99693	1.0
147.03296	3.9
147.04349	1.2
152.98605	2.0
153.01834	2.0
155.01930	1.5
157.03497	1.0
158.99667	36.8
161.01230	2.6
161.02963	2.6
162.03358	1.1
162.99089	0.8
163.02740	1.5
165.04308	0.9
170.99667	4.5
171.01213	1.0
171.03293	4.6
171.04807	1.1
173.02945	2.0
173.04747	0.6
175.02858	0.7
177.00720	22.4
183.04985	1.1
185.01208	1.2
185.02943	0.9
187.02867	0.6
188.55054	0.9
189.00833	3.2
189.02393	2.0
189.04329	8.7
190.14392	2.0
191.02286	0.8
193.03770	0.8
195.05064	2.5
199.04445	0.7
200.02348	0.9
201.00722	2.2
201.02469	0.6
201.04356	0.8
202.73421	0.6
203.02260	0.9
203.04045	1.1
205.00153	0.8
207.01695	0.7
207.05527	1.2
213.00674	1.1
219.01776	14.4
219.03648	1.2
219.05092	0.9
219.07823	1.1
221.05008	2.2
231.01534	1.1
231.03741	3.0
231.05415	1.9
237.02837	13.4
237.06325	0.7
245.05029	2.8
249.02753	1.5
249.06410	1.0
255.03970	1.0
263.06070	1.1
265.05615	0.9
267.03760	0.9
270.06552	0.7
273.08508	0.6
291.03851	5.8
291.07465	21.1
303.01163	1.4
309.04938	4.1
309.08566	57.1
332.10327	3.2
336.06827	0.7
351.09589	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	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54094	0.4
55.01876	0.6
55.05494	2.2
56.96555	2.1
57.03418	0.6
65.80907	0.5
67.05486	1.3
69.03405	2.0
69.07077	0.9
70.66197	0.9
71.04975	2.0
77.30128	0.5
79.05489	1.8
81.03426	1.0
81.07067	2.2
83.08622	3.9
84.04508	2.3
84.96023	0.6
85.02903	2.7
85.06524	1.4
87.04466	1.0
91.05468	1.1
93.07045	1.0
95.04989	0.7
95.08613	0.8
97.02885	1.7
97.06551	0.8
98.97575	2.1
99.04453	0.8
101.09660	0.7
103.07581	2.2
105.00172	0.6
105.07007	1.3
107.08597	1.9
108.08927	0.9
109.02866	1.3
109.10177	0.5
119.08616	0.6
120.08121	0.7
121.02877	0.6
123.04424	1.4
124.02299	0.6
127.03916	2.0
131.04935	0.7
135.04414	0.4
135.11713	4.3
136.12032	3.7
137.05917	0.7
139.03886	1.4
143.46083	0.5
145.04984	0.8
146.19911	0.5
149.49498	0.5
151.03845	0.6
153.01750	0.6
153.09102	0.7
153.12746	1.7
154.09415	1.0
155.07011	0.5
163.03931	0.8
164.21577	0.5
167.07178	0.5
171.10217	0.8
171.13821	1.3
172.10504	0.9
179.00128	1.3
180.73593	0.4
185.04230	8.4
188.02280	0.5
189.05237	22.9
197.01166	0.7
200.09401	0.6
201.10243	1.4
202.34274	0.5
203.05299	1.9
205.08914	2.3
213.10307	0.8
214.11140	0.7
215.11769	2.5
219.11307	1.2
222.11649	0.5
227.02357	0.8
237.00668	0.8
241.09718	1.2
242.03282	0.8
242.10501	1.2
242.53566	1.4
243.54404	0.5
247.06046	3.7
248.06429	2.1
249.02695	0.7
255.01874	0.8
257.04584	0.7
259.10785	0.9
260.11566	0.6
266.63910	0.6
269.09311	0.7
277.11563	0.8
287.10214	0.9
291.04150	0.6
297.12039	0.7
309.55304	1.0
315.09692	2.2
315.13416	1.8
333.10730	4.8
333.14465	2.8
351.10550	100.0
351.15372	11.9
352.10956	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	351.1189
Annotation	bisanthene
Peak:m/z	Relative Intensity
53.03931	0.9
55.01883	5.8
55.05510	0.8
56.96563	1.2
57.03435	0.6
59.04625	0.7
67.05495	1.8
69.03420	2.0
69.07102	0.6
69.63897	4.1
71.04990	1.5
72.78767	0.7
73.06551	1.1
79.05488	0.9
81.03424	1.1
81.07056	1.2
85.02910	4.6
89.06025	2.2
91.05483	1.4
93.07049	0.8
95.08638	0.7
97.02885	2.0
98.20750	1.1
98.97606	4.0
101.06048	1.3
105.06997	1.5
108.04469	0.9
109.02885	1.5
109.10137	2.1
116.98632	1.1
119.05075	0.6
122.06023	0.8
123.04427	0.7
127.03950	1.4
135.11667	0.7
137.06039	1.1
138.57173	0.7
139.03897	1.7
140.26050	0.6
150.05507	1.6
153.09091	0.7
162.05664	0.7
166.04982	0.7
168.06546	0.8
172.07632	0.7
175.08788	1.1
185.07182	1.9
185.10715	1.3
186.07956	0.8
187.04961	0.9
187.08618	1.0
189.06721	0.9
189.09056	1.4
197.10666	0.8
199.08653	4.4
200.09467	6.9
201.06619	2.3
201.10234	7.5
203.08212	2.1
204.06522	1.4
210.98694	0.7
212.05795	1.2
212.09224	0.8
213.06671	3.7
213.10214	12.9
214.07378	3.9
214.10960	4.5
215.08340	5.2
215.11804	21.3
217.06155	1.4
217.09746	5.0
218.08211	0.8
219.01816	0.9
219.07729	2.7
219.11276	10.7
223.08722	1.3
226.11000	2.0
227.08212	7.3
227.11772	1.6
228.08987	1.2
228.12579	1.5
231.07692	2.9
231.11241	2.7
232.08461	4.9
233.09183	3.6
237.02745	0.9
237.06602	1.1
241.06062	3.1
241.09749	15.8
241.13219	3.6
242.06871	3.4
242.10539	10.8
243.07622	3.0
243.11232	3.0
245.05479	0.9
245.09193	8.9
246.07578	2.6
251.08032	1.0
254.10538	1.0
255.07645	10.0
255.10669	0.8
256.12131	3.6
259.07080	3.8
259.10770	6.4
260.07968	5.1
260.11548	3.8
261.08798	2.2
261.12558	1.4
263.10062	0.7
269.09244	11.6
269.12820	3.7
271.10825	1.9
272.11682	1.3
273.08688	9.4
275.06863	1.2
277.11823	2.8
279.07504	0.8
282.10080	1.1
287.10284	13.7
287.13885	3.2
289.11835	2.8
289.15216	0.8
291.09872	1.2
297.08713	12.7
297.12366	7.0
300.11163	2.3
301.11865	0.7
305.11343	3.5
315.09753	44.2
315.13400	19.4
316.09976	0.9
333.10809	82.3
333.14505	19.6
334.11069	1.3
351.11792	100.0
351.15564	98.7
352.12061	1.6
352.15878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1228
Annotation	Pseudosemiglabrinol
Peak:m/z	Relative Intensity
53.03950	0.6
55.01864	1.2
55.05505	0.9
65.03931	0.7
66.99178	0.4
67.05499	1.1
68.99786	5.7
69.03409	2.1
69.07061	0.8
70.28829	0.5
71.05004	0.7
71.27757	0.5
71.28122	0.5
73.02965	0.4
74.57462	0.4
78.57299	0.4
79.05480	0.6
80.62595	0.4
81.03409	2.0
81.07056	1.2
83.04990	0.7
85.02890	1.6
85.06583	0.4
91.05495	2.4
93.07011	1.7
94.27928	0.5
95.04952	1.4
95.08603	0.8
97.02881	1.2
97.06505	0.6
98.97588	0.9
99.04462	1.1
103.05497	0.5
104.48518	0.4
105.06383	0.8
105.07036	9.8
107.04978	0.6
107.08552	1.4
109.02864	1.8
109.06514	0.6
111.00806	6.5
111.04431	2.0
113.19170	0.5
115.05451	0.5
117.07007	0.5
119.04949	0.8
119.08566	2.1
119.81309	0.4
121.06461	0.9
123.04424	2.8
127.03919	2.8
128.06230	1.0
129.06996	1.0
133.06477	1.2
133.10129	5.9
135.04434	0.8
137.05969	1.0
137.09589	0.7
139.03906	41.6
141.06972	1.5
143.08575	0.7
145.10091	1.0
147.04356	0.9
149.02365	0.6
149.05951	0.5
151.03856	0.8
151.07529	1.2
153.05435	0.8
153.06949	1.1
155.08575	3.8
157.06419	0.8
158.07268	0.5
160.05202	1.3
161.05959	1.6
161.09639	5.6
163.03920	13.4
163.11198	1.1
165.06999	1.1
167.07123	0.5
167.08569	1.6
168.05721	2.4
169.06490	4.4
169.10121	1.8
173.05965	3.1
173.09642	0.8
175.03868	0.8
175.07584	2.6
177.05502	1.0
178.07796	1.1
179.08542	6.0
179.10590	1.5
180.09221	0.6
181.06465	1.3
182.07303	0.9
183.08012	2.9
185.09647	0.4
186.06715	1.4
187.07521	2.5
189.05452	1.0
189.09088	1.3
191.06984	0.6
193.10114	1.0
195.08051	2.0
196.05211	1.3
196.08690	0.6
197.06001	8.3
197.09634	12.5
198.06587	0.6
199.07347	0.4
201.09109	21.5
207.08095	2.7
207.09802	0.6
210.06769	8.7
211.07547	5.3
211.11163	1.7
212.08266	1.3
213.09140	3.7
213.97510	0.5
221.09604	1.1
224.08318	0.7
225.09109	40.2
226.09903	3.3
229.08682	0.7
231.07959	0.9
235.07608	1.1
236.08275	0.5
237.05469	0.6
238.06268	1.1
239.07028	0.7
239.10664	6.6
241.02356	0.5
241.08578	0.8
241.12277	2.8
247.07504	0.6
248.08307	1.6
249.09035	1.5
259.11304	0.6
261.08911	0.5
263.07187	0.6
263.10675	1.1
265.12180	0.7
267.10175	10.5
275.07062	1.4
276.07837	3.2
277.08514	1.2
277.12241	0.9
279.06476	0.8
280.07095	0.7
281.08276	0.5
281.11737	0.7
287.06973	1.3
290.09332	0.5
291.10275	0.7
292.07379	0.5
293.08005	0.7
294.08810	1.5
295.06039	5.3
295.09241	0.7
303.06467	2.4
304.07297	2.3
305.08014	4.5
305.11734	1.7
308.06870	1.2
309.07678	4.2
309.11047	0.9
315.09906	0.6
317.07706	0.6
318.08707	0.9
321.07587	18.0
322.08359	30.7
323.09058	4.0
323.12793	1.5
333.11130	11.0
336.09940	1.0
351.12234	100.0
352.12485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64709	0.5
52.26821	0.6
55.05516	0.7
67.05502	2.0
69.03418	0.7
69.07056	2.1
79.05477	1.5
81.07043	2.1
83.08600	1.0
85.02944	0.5
91.05478	1.2
92.82578	0.5
92.94653	0.5
93.07015	1.6
94.04137	0.7
95.08600	1.6
98.20683	0.9
101.05923	0.6
105.06979	1.2
107.08582	1.7
108.52536	0.6
109.10146	1.5
119.08594	0.7
121.10144	0.9
122.03632	4.3
133.10188	0.9
135.11684	1.4
137.05975	100.0
138.06305	0.8
147.11674	1.0
149.13223	0.6
153.12804	1.2
170.15396	2.4
182.15382	4.2
207.39473	0.6
269.10608	0.9
301.66962	0.6
306.20599	6.8
312.38800	0.7
315.23187	0.8
340.82480	0.7
351.25958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01870	2.7
55.05506	6.0
56.96558	2.2
57.03422	2.5
57.07061	7.3
59.04993	6.5
65.53383	1.6
67.05511	12.9
68.25636	1.4
69.03439	9.4
69.07075	13.7
70.63428	1.4
71.04999	11.9
71.31467	3.0
73.02917	1.5
78.03458	8.3
81.03420	15.4
81.07066	4.5
83.08619	19.2
85.02913	12.5
85.06550	13.3
93.07025	3.5
95.04980	2.7
95.08620	3.5
97.02900	6.1
98.97570	5.1
99.04455	3.9
99.08069	1.7
101.06008	6.1
106.02927	38.9
107.04956	1.7
109.02872	10.7
109.10171	47.0
113.06004	18.5
120.08123	1.9
123.04436	1.6
124.03963	59.5
127.03933	5.9
127.11202	5.1
129.09126	44.4
131.04918	1.8
137.09637	6.0
138.74164	1.4
139.03949	2.8
141.05464	2.9
155.07153	3.3
155.10678	70.8
167.07086	2.3
167.17703	1.7
172.07553	3.4
173.11751	100.0
177.05501	2.1
190.08568	2.6
240.41376	1.7
250.07118	24.8
259.03677	1.5
268.08188	16.2
280.10712	3.5
311.05429	2.0
311.09778	2.6
352.13885	26.1
372.78964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.05513	2.0
66.41897	0.7
67.05509	16.4
67.05841	1.6
69.03433	2.3
69.07069	1.8
70.57928	2.3
71.04987	2.9
72.08169	1.6
79.05504	2.5
80.79354	1.0
81.07068	12.1
84.21493	0.9
85.02920	4.2
91.05505	1.2
93.07053	2.6
95.04936	0.9
95.08623	12.4
97.02940	1.2
97.06530	1.0
99.04475	4.5
99.08092	2.0
105.07096	0.9
106.06568	0.8
109.10169	68.2
111.08093	1.9
119.08613	3.5
123.04398	1.1
131.04915	1.7
136.06165	1.0
137.09633	36.4
139.03935	3.0
155.10686	100.0
172.07571	1.3
173.11758	36.6
190.08684	1.0
201.70958	0.9
216.06596	1.2
262.73062	0.9
280.66379	0.8
352.14578	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	0.8
55.05499	0.8
56.05026	0.4
56.96561	1.5
57.03430	1.5
58.06603	13.6
59.05011	0.6
61.02928	3.3
61.17256	0.3
67.05503	0.7
68.18813	0.4
69.03078	0.7
69.03436	8.5
69.07074	7.0
69.50297	2.7
70.06600	2.7
71.04996	1.0
71.08643	0.4
72.08154	0.6
73.02919	1.7
76.07634	0.6
81.03423	3.2
81.07077	0.5
83.08660	0.4
84.08144	1.2
85.02908	20.2
85.06546	0.5
86.09705	5.3
86.27118	0.4
87.04467	1.6
88.07627	1.0
88.11262	2.2
90.17178	0.3
91.03974	1.2
95.81231	0.3
97.02899	8.2
97.29881	0.3
98.20718	0.7
98.97595	4.1
99.04461	1.4
99.97910	0.5
109.02878	2.5
110.97627	0.7
116.98667	1.0
119.01914	0.8
126.12798	19.8
127.03915	3.8
128.98639	0.4
141.14084	0.4
143.00221	0.4
143.01894	0.8
144.10130	1.2
144.13841	66.5
145.04965	2.8
153.01868	0.5
155.07037	0.7
158.99678	1.4
160.00114	0.4
160.48537	0.4
161.03009	0.9
162.05487	1.0
163.02768	0.4
170.99734	0.4
172.13351	4.6
173.08084	0.5
177.00728	0.8
190.05016	2.2
190.14388	100.0
191.14780	0.8
214.14276	0.6
219.01788	1.1
220.02129	0.4
237.02824	0.5
245.05032	0.4
262.06964	0.4
292.07779	0.6
306.19189	0.6
310.08865	1.3
316.17349	0.9
352.10220	0.8
352.15942	0.5
352.19650	12.4
353.08572	0.5
363.27698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01848	0.9
55.05505	0.9
56.96557	1.6
57.03444	2.8
58.06595	1.7
59.05003	0.7
61.02931	3.0
67.05478	0.7
69.03427	10.7
69.07063	2.1
70.06591	14.2
70.36935	1.9
70.37305	0.6
71.04974	1.1
71.08633	3.5
72.08140	0.8
73.02906	1.9
74.02431	0.7
78.56216	0.6
81.03432	4.7
81.07066	1.6
83.04954	1.2
84.05305	0.7
84.08137	2.4
85.02903	25.1
85.06550	0.7
86.03194	0.9
86.09696	6.8
87.04464	1.7
88.07621	1.1
88.10770	1.1
88.11268	14.9
91.03952	1.7
91.05444	0.7
97.02898	9.5
98.97556	2.3
99.04436	2.1
100.11203	1.1
109.02893	3.0
109.06480	1.7
110.97530	0.9
116.07096	3.6
116.98634	0.9
119.01888	0.9
124.07587	0.8
126.12789	20.3
127.03927	6.1
128.98593	0.9
137.05994	3.0
144.13832	57.4
145.04941	4.4
145.14130	0.8
147.04387	1.8
149.19449	0.6
155.06972	3.1
162.05428	1.3
167.07069	1.1
172.09700	1.2
172.13319	6.3
173.08092	2.4
174.70187	0.6
182.99658	0.8
190.05014	1.7
190.10757	2.3
190.14380	100.0
191.14729	1.1
214.14497	0.9
219.01788	1.6
221.04924	0.7
237.02827	2.2
238.03197	0.7
241.06117	0.6
247.05469	0.9
265.06735	0.6
311.05698	0.8
316.17612	1.1
334.18704	1.2
352.10211	1.4
352.15576	0.7
352.19638	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	353.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.9
56.96568	4.4
61.02917	6.6
67.05489	4.0
68.99790	8.8
69.03428	4.2
69.07053	2.3
69.90402	8.5
70.85323	2.4
71.05003	3.0
73.02892	2.9
81.03388	3.0
84.08146	5.1
85.02905	11.1
86.09703	10.5
86.21726	2.4
87.00839	6.2
87.10037	3.3
91.05473	5.2
97.02884	6.9
97.06524	2.9
98.97591	6.8
99.04488	3.5
103.05502	5.2
105.07052	4.8
109.02841	3.7
111.04478	20.1
115.05489	13.1
116.98572	2.6
119.04948	6.6
121.02849	3.6
123.04433	4.2
127.03860	3.8
129.01859	10.7
131.04962	4.4
133.06482	4.3
135.04480	3.7
137.05977	3.2
139.03925	19.7
140.04634	2.5
143.04918	9.7
147.02931	9.6
147.04407	16.8
149.05968	3.8
151.07536	3.2
153.01880	5.2
153.05438	3.5
156.09311	2.5
159.04399	3.3
161.05983	8.1
162.03116	8.3
163.03964	2.5
167.03438	5.1
171.04410	13.5
175.03929	3.2
175.07504	5.8
177.05499	50.0
179.06984	3.6
185.04250	14.3
185.05623	2.4
188.04610	5.1
189.05489	10.3
191.03201	4.0
191.06984	5.6
192.04245	4.9
199.03897	10.0
203.07025	30.3
205.04994	6.6
207.06590	16.9
207.08304	3.4
217.04976	10.0
221.07993	4.2
231.06509	31.7
249.07613	100.0
335.12402	8.4
353.08524	35.5
353.12830	8.2
353.40820	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01867	1.3
55.05507	4.5
56.96568	1.0
57.03437	3.1
57.07068	4.0
59.04992	2.9
61.02915	2.1
67.05505	23.8
68.09808	1.0
68.71427	1.2
69.03429	5.7
69.07074	14.0
69.89056	5.2
70.06601	1.8
71.04997	33.6
71.08629	3.6
73.02936	1.8
79.05496	4.4
81.03419	1.5
81.07063	83.0
82.07380	1.1
83.04983	1.3
83.08626	3.0
85.02901	10.9
85.06550	36.4
91.04968	1.0
91.05482	4.6
93.07060	3.1
95.04964	1.4
95.08611	73.3
97.02905	4.6
98.97593	2.6
99.04452	1.7
99.08103	7.2
105.05543	1.5
105.07027	2.4
107.08561	1.3
109.02891	1.9
109.10175	11.5
111.11752	1.9
114.10297	1.8
117.07017	1.2
119.08595	1.2
122.07158	2.7
123.07976	4.5
124.07561	2.1
127.03915	3.6
128.98660	1.4
131.04895	1.2
131.08612	1.2
133.06503	1.2
133.10181	1.8
135.04454	1.4
136.07562	1.4
137.05997	1.7
137.09657	1.2
137.13251	11.5
145.04982	1.9
145.10143	1.8
147.04335	1.3
149.09665	1.8
155.10721	3.0
155.14310	100.0
156.11031	2.3
156.14629	1.3
159.10236	1.4
160.05080	20.1
167.07092	2.4
167.18700	1.0
173.01318	1.1
173.11864	1.7
173.15392	46.2
174.12180	1.8
191.06975	1.7
191.16441	22.8
192.07709	18.7
201.12468	1.3
202.06726	1.5
233.09514	1.6
249.07413	1.3
265.05042	1.1
311.94556	1.2
325.07001	2.0
327.24048	1.1
335.12228	2.3
353.06842	1.3
353.12885	10.4
354.12976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.05519	16.6
57.03445	6.5
57.07074	6.1
67.05509	86.7
69.07085	13.5
71.00053	2.6
71.04996	5.7
71.53225	3.1
79.05505	41.9
81.07064	94.2
83.08627	9.4
91.05482	25.9
93.07056	62.8
95.08620	65.5
97.10167	5.7
105.07044	18.4
107.08604	40.6
109.10173	29.7
111.11692	3.5
117.07032	7.9
119.08588	18.1
121.10165	32.4
123.08105	3.3
123.11713	17.8
123.34129	2.6
131.08560	20.1
133.10144	15.8
135.11696	28.2
137.09587	3.8
137.13248	6.6
145.10123	17.0
147.11703	13.0
149.13266	20.2
151.11119	3.2
159.11697	16.6
161.13261	10.3
163.14816	12.9
173.13289	16.7
177.16440	6.9
187.14844	11.0
209.15320	3.5
233.22702	7.4
243.21121	27.5
252.34274	2.9
261.22159	100.0
335.25836	10.0
353.27097	24.8
353.79654	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	2.6
55.01857	1.4
55.05270	1.2
55.05515	14.4
57.03446	6.3
57.07079	4.4
57.46388	0.7
62.49268	0.8
65.03932	2.1
67.05511	90.5
67.94144	0.9
69.07078	14.5
70.70045	2.2
71.04990	2.3
71.08611	1.6
75.04479	1.7
79.05501	41.4
81.07064	96.8
83.05000	1.0
83.08639	7.5
85.06563	1.3
91.04973	1.4
91.05493	19.8
93.07052	54.5
95.04982	1.5
95.08615	72.8
96.09003	0.9
97.06551	2.4
97.10186	4.3
99.08082	2.7
105.07047	17.6
107.08604	32.5
109.06517	1.2
109.10170	38.2
111.08066	1.5
111.11718	1.2
113.09666	0.9
117.07018	7.2
119.08584	14.1
121.10150	32.1
123.08080	1.6
123.11719	21.6
131.08588	18.0
133.10147	12.4
135.11702	28.5
137.13249	8.4
139.11154	1.3
145.09048	1.2
145.10149	15.4
147.11719	9.9
149.09634	1.0
149.12056	1.0
149.13271	19.2
151.11235	2.0
151.14798	3.3
153.12839	1.2
159.11714	11.6
161.13274	8.9
163.14854	12.5
165.12778	1.9
173.13277	17.3
173.14696	1.4
175.14879	2.5
177.12744	1.2
177.16432	5.7
179.14249	1.4
187.14851	9.7
189.16382	1.2
191.14441	0.8
201.16409	4.2
205.15857	1.2
215.18001	1.3
217.19678	1.3
227.90614	0.9
233.22653	4.0
243.21106	30.0
261.22171	100.0
262.22205	1.0
263.23972	1.4
279.23224	6.5
335.25830	16.2
353.26913	30.8
367.31357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53790	1.1
53.03937	3.4
53.35601	1.3
55.05523	11.7
56.96563	3.8
57.03433	4.0
57.07070	4.9
65.03951	1.9
66.48734	1.2
67.05511	76.9
69.07073	13.0
70.84698	2.4
70.85023	2.2
71.04990	2.4
71.08619	2.3
79.05498	37.7
81.07063	80.4
83.08624	6.5
85.06544	1.8
91.05485	21.2
93.07050	56.7
95.04961	1.8
95.08612	64.0
97.06516	2.9
97.10141	3.1
99.08145	1.3
105.07031	18.8
107.08602	36.6
109.10161	32.1
111.08069	2.0
116.47106	1.3
117.07007	9.3
119.08592	13.2
119.21867	1.3
121.10156	27.7
123.08049	2.0
123.11720	14.8
131.08582	18.2
133.10139	13.9
135.11687	26.8
137.09543	1.4
137.13243	7.6
145.10159	16.5
147.11713	12.0
147.16566	1.2
149.13263	20.8
151.11183	1.8
151.14873	1.7
153.12723	1.9
159.11697	14.6
161.13249	8.2
163.14844	13.8
171.11751	1.6
173.13277	16.5
175.14848	4.0
177.16486	4.5
179.14276	1.7
182.74792	1.3
187.14859	9.9
191.14456	1.4
201.16339	2.8
205.15886	1.4
207.13895	1.7
215.17947	1.7
229.79654	1.3
233.22604	3.3
243.21092	23.2
261.22159	100.0
262.22495	1.3
263.23782	1.5
279.23294	4.7
281.10648	9.8
284.91183	1.2
299.11789	3.1
304.12152	1.5
306.12897	1.3
335.25839	9.5
353.26987	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.37234	0.9
53.03943	2.4
55.05519	16.3
57.03438	5.5
57.06402	0.9
57.07079	4.3
62.35046	0.8
65.03937	2.5
67.05512	91.0
69.07075	13.7
69.27648	1.5
69.28059	5.4
71.05001	2.2
71.08643	1.9
71.56330	0.8
75.04488	2.0
79.05502	40.1
81.07066	100.0
83.04989	1.0
83.08636	7.9
85.06544	2.6
85.72123	0.8
86.34693	0.8
91.05492	18.9
93.07055	52.5
95.05005	1.8
95.08617	69.3
97.06533	3.9
97.10177	3.3
99.08105	2.3
103.05580	0.9
105.07046	15.4
105.07697	1.7
105.96738	0.8
107.08605	34.8
109.06537	1.4
109.10168	38.4
111.08096	2.5
111.11754	1.2
117.07022	8.6
119.08595	14.3
120.03883	0.9
121.10154	31.7
123.08019	1.0
123.11722	21.0
125.09608	1.3
131.08578	19.1
131.09535	1.3
133.10146	13.7
135.08119	1.1
135.11710	26.2
137.09645	1.6
137.13286	8.0
139.11221	1.3
145.10130	15.2
147.11703	12.0
149.13277	21.1
151.14836	2.5
159.11697	14.3
161.13249	9.5
163.11186	1.2
163.14839	13.2
165.12819	2.2
173.13271	15.7
175.14862	4.0
177.12766	1.9
177.16377	4.7
179.14401	2.0
187.14874	10.0
191.14313	2.1
201.16447	3.1
205.15862	1.5
219.17482	1.2
225.45139	0.8
233.22678	4.4
234.87570	0.9
243.21115	28.2
261.22171	93.4
262.22568	1.1
263.23715	1.2
279.23135	6.1
335.25864	16.4
353.26920	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01873	1.2
55.05263	1.3
55.05511	15.7
57.03427	3.4
57.07078	6.5
65.03933	2.6
67.05506	81.0
68.05842	1.2
69.02721	1.0
69.07064	12.5
70.31351	3.7
71.04992	2.9
71.08627	4.5
72.08159	1.3
74.13997	0.9
75.04468	1.1
79.05492	41.8
81.07058	88.7
83.04990	1.5
83.08624	8.3
85.06537	2.3
91.05479	24.9
93.07044	60.1
95.04974	2.7
95.08607	67.4
97.06519	4.2
97.10170	3.9
99.08092	4.3
105.04528	1.1
105.07030	18.5
105.94973	1.0
107.08595	39.5
109.06516	2.2
109.10155	32.9
111.08086	1.6
111.11674	1.0
115.55890	1.1
117.07001	10.1
119.08580	15.1
121.10142	35.2
122.10727	1.1
123.08065	2.4
123.11701	21.7
125.09642	1.5
127.11202	1.1
131.08574	21.3
131.75998	0.9
133.10130	13.0
135.11690	30.8
137.09605	1.2
137.13229	7.2
139.11182	1.7
145.10141	16.5
147.11707	12.7
149.09627	1.1
149.13257	21.8
151.11140	2.5
151.14839	1.5
153.12741	2.1
157.13092	1.1
159.11691	14.8
161.13242	10.1
163.14839	14.2
165.12718	3.2
173.13286	14.9
175.14844	4.0
177.12708	1.5
177.16417	5.3
179.14345	1.8
187.14813	10.7
189.16443	1.0
191.14337	1.9
201.16379	2.7
203.17903	1.4
205.15903	2.1
208.85699	1.0
213.16739	1.0
215.18036	2.4
233.22714	4.3
243.21086	28.9
245.22716	1.1
261.22141	100.0
263.23553	1.1
279.23169	4.0
291.23276	3.7
300.87149	1.1
302.48825	1.0
317.24765	1.6
335.25806	12.1
345.56354	1.2
353.26898	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03935	3.2
55.05510	13.1
57.03437	7.9
57.07088	5.2
67.05516	100.0
67.05882	5.3
69.07089	14.3
71.08631	3.0
71.53664	4.5
79.05498	37.3
79.88197	3.0
81.06589	5.3
81.07067	97.1
83.08627	11.6
91.05496	15.2
93.07056	49.5
94.10705	3.0
95.04953	4.5
95.08621	82.3
97.10184	5.1
105.07051	13.5
107.08604	35.9
109.10172	36.8
117.07037	6.6
119.08591	13.9
121.06485	4.5
121.10167	33.3
123.08049	3.0
123.11721	22.9
131.08609	13.7
133.10149	14.4
135.11714	25.0
137.13298	5.3
145.10121	16.2
147.11665	13.9
149.13301	22.6
159.11693	14.2
161.13284	9.1
161.74561	3.1
163.14827	12.2
165.12891	3.3
173.13307	15.6
175.14874	5.5
177.16393	4.7
187.14865	8.9
201.16574	3.4
243.21170	25.6
253.87292	3.4
261.22150	85.5
279.23294	8.7
335.25940	15.4
353.26797	24.6
362.02924	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	354.1188
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
50.69572	0.3
51.02363	0.3
53.03938	0.4
57.03428	0.4
61.02892	1.0
65.03922	0.4
67.05486	0.6
69.03436	2.5
69.33631	1.1
69.34064	1.2
71.04966	0.7
71.10197	0.3
73.02890	0.5
77.03909	0.3
80.80421	0.3
81.03385	1.0
85.02446	0.3
85.02905	4.0
85.38746	0.3
87.04445	0.6
91.05474	2.5
93.05778	0.3
94.06584	3.5
95.04936	0.6
97.02892	1.4
98.21482	0.5
99.04422	0.7
103.28710	0.3
105.03360	0.7
109.02877	0.5
117.05735	0.8
118.06550	5.1
122.05179	0.3
122.06040	5.0
126.18001	0.3
127.03893	1.1
134.06004	0.7
134.07054	0.4
145.04977	0.9
146.06021	18.3
147.06816	0.5
148.07533	0.4
150.05469	1.2
157.08548	0.6
160.03760	0.5
160.05069	7.7
162.05495	1.0
164.07072	6.9
174.05521	100.0
175.06032	1.1
175.09581	0.8
176.07091	0.6
192.06477	49.7
290.65073	0.4
317.40723	0.3
329.62024	0.3
336.10803	1.3
354.11862	56.1
355.12140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78576	0.3
55.05514	0.3
57.03426	0.3
57.07064	0.4
63.43168	0.3
67.05521	0.4
69.03443	1.0
69.07075	0.4
69.72923	1.1
69.73335	0.5
71.05016	1.3
73.02931	0.3
80.30090	0.2
81.03446	0.5
81.07067	1.5
81.55959	0.3
82.07384	0.8
83.04990	0.5
85.02915	1.7
85.06538	0.6
86.06919	0.4
91.05486	0.6
93.07044	0.3
95.08598	1.4
96.08933	0.7
97.02904	0.7
98.97594	0.4
101.06017	0.4
102.94949	0.3
103.51628	0.3
109.10169	0.3
120.46126	0.2
125.84927	0.3
127.03961	0.3
131.04938	0.7
132.05588	0.6
133.06419	0.4
134.08191	0.2
145.04997	0.3
155.14316	0.9
156.14680	1.2
157.08684	0.4
157.12233	0.7
159.39980	0.3
160.05084	88.3
161.05371	0.6
163.03943	0.4
173.15414	0.6
174.05449	0.3
174.15768	0.9
177.05507	0.7
191.16422	0.3
192.07704	100.0
193.08002	0.4
203.86943	0.3
221.41667	0.3
224.69569	0.3
249.11107	0.6
308.15100	0.4
354.12778	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	354.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.6
55.01868	4.4
56.96577	2.4
57.03440	4.0
59.04996	1.7
61.02925	6.3
69.03437	28.1
69.83112	10.1
71.04990	4.5
73.02924	100.0
81.03417	24.9
83.05000	2.2
85.02914	66.7
85.06550	4.8
86.09718	4.7
87.04475	2.7
91.03967	84.6
97.02905	63.7
97.06529	2.7
98.97588	4.0
99.04462	10.1
105.07052	2.2
109.02885	28.8
109.06544	2.6
110.97527	2.1
115.03963	1.9
115.07579	3.4
116.98583	2.5
121.06490	2.4
123.04466	1.7
127.03931	65.0
127.56867	1.7
129.90910	1.9
134.07140	7.1
137.07831	1.9
139.07521	4.0
145.04971	58.2
153.01842	2.3
157.08620	5.6
163.05984	5.1
175.09692	4.2
177.05661	2.4
192.06506	3.0
199.06013	2.7
217.07108	47.8
235.08168	34.1
242.32243	1.9
250.08037	3.6
301.12866	3.2
312.35287	1.8
354.12485	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88247	0.7
50.93742	0.7
53.03934	1.3
56.96560	0.8
57.03426	0.8
58.02889	0.8
61.02930	16.9
63.30760	0.6
69.03433	2.0
69.07055	0.8
70.10226	2.1
73.02893	1.5
79.05496	35.6
85.02911	5.0
87.04510	0.9
91.05469	2.3
93.06472	1.5
93.07049	23.6
95.04977	1.3
97.02870	1.8
97.06535	18.4
98.97553	2.2
109.02860	1.0
116.98636	1.0
121.06512	9.3
127.03941	1.3
139.07545	100.0
145.04990	1.4
157.08611	58.0
168.08623	0.7
174.05550	1.2
175.09663	32.9
192.04070	1.0
192.06500	1.1
219.01833	0.8
222.05554	0.9
354.11621	1.4
355.10025	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.8
57.19181	2.7
59.68944	2.2
60.92345	2.2
67.05502	13.0
69.07058	3.8
69.44445	19.1
70.06595	11.5
79.05482	3.3
81.07062	11.5
83.08609	2.8
88.07627	13.1
91.05466	2.4
93.07050	3.5
95.08609	8.9
102.09165	6.2
106.08656	8.8
109.10128	2.7
117.63550	2.5
137.05899	2.2
137.15779	2.3
172.73515	2.3
177.00462	2.3
242.52032	2.4
336.32632	4.8
354.33685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85221	0.4
58.46918	0.4
61.22686	0.4
70.27246	0.5
70.27590	1.4
73.04726	0.5
73.27414	0.3
77.01985	0.4
81.03403	0.7
85.02923	0.6
86.91291	0.4
89.06019	0.6
98.97552	0.5
110.06065	0.5
131.18919	0.5
134.70392	0.4
136.07568	1.2
164.07062	1.2
177.01584	1.4
182.08180	2.1
185.04266	2.3
192.03925	13.1
193.04715	6.8
217.12936	0.5
218.42807	0.4
221.05571	1.3
227.31505	0.5
324.08118	2.6
337.10397	0.9
341.81714	0.4
355.10010	100.0
356.10162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56439	0.9
53.03944	2.7
55.01868	3.9
56.96582	1.3
57.03440	4.2
57.36570	0.8
59.05001	0.9
60.42465	0.8
61.02927	1.6
63.75975	1.1
68.59978	0.8
69.03431	22.7
69.66783	3.3
69.67193	2.0
71.01351	1.0
71.04988	8.9
72.38346	0.8
73.02912	1.5
73.04753	2.4
81.03421	29.3
85.02910	4.1
85.50350	0.8
87.04472	1.7
89.06046	4.6
91.05788	3.0
93.07082	1.0
97.02887	3.0
98.20748	1.8
98.97591	4.1
99.04459	10.4
103.07488	1.1
104.05040	1.4
110.06017	1.2
116.98645	1.0
117.05508	3.3
121.06487	1.0
127.03934	2.0
128.55865	0.9
128.98593	1.0
130.02846	1.0
131.04982	0.9
133.07640	1.4
135.06624	1.1
137.05917	2.1
142.58051	0.9
145.04910	1.1
146.07295	1.4
147.04535	1.0
147.05470	4.2
148.03926	2.8
149.05986	1.6
149.07135	1.8
151.07570	1.6
157.04019	4.1
158.99677	1.4
160.08694	0.8
163.03969	4.9
164.07080	2.4
165.05394	1.2
175.05054	3.5
177.05399	1.2
177.06660	10.0
177.09062	1.8
180.07767	1.2
182.08192	1.9
191.94658	1.0
203.02570	1.4
203.04518	25.1
204.07748	2.7
205.06107	4.9
219.01797	2.2
221.05582	100.0
236.57120	1.0
237.02818	3.8
246.10361	0.9
259.10516	0.9
263.06693	1.4
265.47589	0.8
268.97781	1.0
285.00885	2.1
287.12625	0.9
305.11661	2.9
319.09305	10.1
337.10324	38.7
337.13916	2.0
338.13626	6.2
355.11224	33.6
355.15640	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	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08858	3.5
52.63494	3.0
53.03946	3.7
55.05505	10.0
57.03429	12.2
63.91573	3.1
64.26141	3.5
67.05508	9.7
68.07128	3.4
69.03434	36.1
69.07064	12.8
71.01366	5.5
71.04990	39.2
71.38679	4.4
72.10596	3.4
75.04472	9.8
79.05495	10.8
81.03421	4.8
81.07049	15.5
83.04990	23.6
83.08619	3.9
85.02429	6.5
85.02911	85.3
85.06559	6.0
87.04491	5.0
91.05476	24.8
93.07063	19.2
95.04995	17.3
95.08612	13.8
96.35439	3.7
97.06536	5.2
98.97619	4.0
103.05465	10.4
105.07027	23.7
107.04967	17.3
107.08613	13.6
107.74582	3.6
109.06537	9.1
109.10168	20.4
111.04468	13.0
113.06026	7.3
115.05476	8.3
117.07024	11.2
119.04958	5.7
119.08541	7.2
121.06511	23.6
121.10123	14.1
123.04435	11.5
123.08077	6.2
123.11736	4.4
125.09614	5.4
128.06236	5.3
129.05484	12.4
129.07014	16.0
131.04922	18.0
131.08647	4.1
133.06490	14.6
133.10129	13.6
135.08022	8.4
135.11716	7.4
137.05957	26.0
137.09576	8.2
139.11168	9.2
145.06493	15.2
147.04448	4.9
147.08083	9.0
149.06013	30.2
151.07558	13.9
157.06461	10.1
159.06596	5.1
159.08014	6.6
160.05258	6.4
161.05981	79.5
161.09630	7.0
163.07562	15.2
163.11269	4.6
165.05490	5.3
165.09142	8.5
167.07047	100.0
173.06001	12.1
174.06754	8.2
175.07558	52.4
175.14784	4.2
177.05496	27.6
177.12584	4.2
179.07053	16.9
181.08586	25.8
187.07603	9.9
189.05522	6.5
189.09099	25.7
191.07050	6.2
193.08635	29.7
197.08008	3.6
199.07562	4.1
205.08485	7.1
207.06461	29.9
207.10205	9.3
209.08096	28.9
213.09169	5.7
215.07092	4.3
219.08163	5.1
221.08087	11.3
236.08278	4.3
247.09697	6.4
249.09187	8.4
251.10867	5.9
259.09720	4.3
277.08447	8.0
277.12204	7.9
279.10324	9.9
296.10382	4.1
301.21591	4.6
305.11719	14.3
309.11414	8.4
311.12753	44.0
323.12720	7.8
337.13992	10.1
337.23770	5.2
355.15076	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05503	0.7
57.03419	0.5
59.79940	0.3
63.76594	0.5
67.05501	1.0
69.03437	0.7
69.07043	0.9
71.04996	0.6
71.53508	0.3
73.96604	0.3
79.03588	0.3
79.05481	0.5
81.07056	1.5
83.04972	0.6
83.08645	0.6
85.02895	0.7
85.06556	0.4
91.05461	0.4
93.07044	1.2
95.04956	0.7
95.08595	1.2
97.06573	0.6
100.07631	0.5
100.11256	0.8
105.07025	0.7
107.08604	0.9
109.02862	0.4
109.10150	0.9
111.04484	0.6
111.08102	1.4
117.07027	0.4
119.08585	0.8
121.06598	0.5
121.10150	0.7
121.54424	0.3
123.11713	0.3
127.03897	0.4
133.10127	0.6
135.11679	0.4
137.06015	0.5
137.09618	0.4
139.21530	0.4
147.08067	0.4
158.12581	0.5
161.09682	0.5
165.05545	0.5
167.06969	0.4
175.07527	0.4
177.09203	0.6
179.10622	0.4
182.15408	1.2
187.49089	0.3
193.04962	0.5
201.03735	2.9
201.05434	0.7
203.05316	1.0
210.14940	1.6
228.16019	0.7
234.12389	0.4
291.10272	0.4
305.11761	0.6
316.94247	0.3
337.07114	0.8
337.21173	0.7
355.17291	100.0
356.17551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05511	35.1
56.96561	3.6
57.03422	8.2
57.07078	16.8
60.18873	2.5
64.30869	2.3
67.05510	94.5
69.03404	2.3
69.07075	38.8
70.57130	4.5
70.57451	4.6
71.08622	8.3
79.05501	28.6
81.03442	3.0
81.07063	100.0
83.08622	36.2
85.02895	3.1
85.10181	5.5
88.07643	2.7
91.05477	23.4
93.07047	31.3
95.04990	2.4
95.08611	95.3
97.06519	10.2
97.10168	22.9
98.97585	4.0
99.08075	5.1
105.07026	19.7
107.08603	26.6
109.10162	52.2
111.08079	5.8
111.11712	7.0
119.08581	22.6
119.26144	2.6
121.06481	3.6
121.10149	30.7
123.11712	24.6
129.05469	3.3
131.08582	4.2
133.10127	19.7
135.11673	13.3
137.05991	3.8
137.09613	3.2
137.13257	9.5
139.11195	3.3
147.11682	17.3
149.06042	4.6
149.13286	16.1
151.07536	5.1
151.11185	2.4
151.14784	6.3
155.14343	3.0
161.13292	12.6
163.14778	15.3
165.16373	9.1
175.14816	12.6
177.09148	5.0
179.18002	6.5
189.16383	8.9
201.09096	3.1
229.07458	15.9
230.07861	7.5
245.09557	2.9
245.22652	44.7
247.08563	9.9
252.09029	3.1
263.23727	59.7
305.11682	9.8
306.12625	3.6
337.14215	6.9
337.27338	42.0
355.15396	6.9
355.28473	10.5
355.33725	5.5
356.35162	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	355.2843
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03945	3.1
55.01859	4.0
55.05510	33.4
56.59132	2.6
57.03426	10.1
57.07072	13.8
62.96148	2.6
65.03909	3.0
65.16800	2.6
65.82178	2.6
67.05505	93.0
69.06725	3.7
69.07068	48.9
69.44597	18.8
70.06586	2.7
71.04991	3.3
71.08634	6.0
77.03882	2.7
77.17441	2.4
79.05497	27.7
81.06582	5.6
81.07055	100.0
83.08623	31.6
85.06535	5.7
88.07616	8.4
91.05451	23.7
93.07039	36.2
95.04926	4.5
95.08607	94.4
97.06520	13.7
97.10171	22.3
98.21506	3.2
99.08109	3.6
100.38832	2.4
105.07024	15.4
106.08612	2.9
107.08577	29.8
109.10156	55.9
111.08062	6.1
111.11742	6.5
113.09619	3.9
119.08578	16.8
121.10146	34.1
123.08067	3.2
123.11705	24.5
133.10127	23.0
134.78461	2.9
135.11703	20.0
135.40193	2.7
137.05980	8.8
137.09605	3.1
137.13243	7.2
139.11183	3.6
141.12741	3.0
147.11711	15.2
149.06000	4.6
149.13272	18.1
151.07568	6.3
151.11191	2.8
151.14789	11.3
161.13281	18.2
163.14812	14.2
165.16388	8.6
173.13383	3.1
175.14815	12.1
177.09106	10.0
177.16315	4.9
179.17990	4.3
181.15909	3.2
189.16388	6.2
201.09030	3.7
245.22672	58.0
263.23676	53.8
285.11182	5.1
291.10272	4.1
305.11734	8.0
337.14334	6.6
337.27341	46.5
355.15561	8.3
355.28363	12.0
355.33929	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.05514	51.2
57.03439	18.3
57.07082	7.9
60.81830	1.8
64.38309	2.3
67.05507	54.1
69.07069	59.2
71.04986	5.2
71.08631	4.5
76.44353	1.6
77.85734	1.5
79.05489	19.1
81.06585	3.5
81.07060	65.4
83.08147	3.1
83.08617	41.2
85.06542	4.9
85.10191	1.9
88.07615	2.2
91.05455	10.9
92.22897	1.9
93.07050	25.5
94.79161	1.8
95.08607	55.1
97.06519	7.6
97.10171	23.3
98.97550	1.8
99.08073	3.6
105.07043	8.6
107.08599	11.4
109.10152	22.5
111.08075	3.2
111.11721	8.7
117.72420	1.7
119.08569	7.1
121.06482	2.9
121.10155	15.1
123.08054	3.8
123.11701	8.4
125.09642	3.1
133.10112	6.1
135.11674	6.9
137.05963	5.7
137.09613	2.8
137.13220	3.2
139.11186	2.1
146.07240	3.5
146.97070	1.7
147.11653	6.7
149.13234	6.1
151.07516	5.1
151.11272	2.0
158.19609	1.8
161.13257	5.9
163.14871	3.9
175.14807	4.0
177.09138	3.2
179.14253	2.2
201.09171	2.6
239.15276	1.6
245.22609	4.7
263.23706	6.8
281.24808	1.7
284.10577	3.4
285.11005	3.2
305.11752	5.5
306.12408	3.5
315.92096	2.0
323.12851	2.1
337.14209	4.1
337.27377	12.2
355.15387	4.6
355.28375	100.0
355.33823	18.1
356.29025	1.9
378.70932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01880	4.0
55.05502	2.8
56.96578	4.0
57.03450	7.4
58.03761	1.3
61.02918	7.3
69.03429	19.5
69.59439	5.7
69.59849	3.2
70.99903	2.0
71.01368	2.1
71.05003	2.4
73.02923	12.9
75.30180	1.3
81.03420	6.9
82.99860	1.8
83.01347	1.8
83.04977	3.2
85.02914	42.0
86.03250	2.3
87.04471	4.1
91.03955	4.1
91.05496	2.8
95.01331	2.2
97.02905	15.6
98.97595	6.7
99.04463	5.5
99.05104	1.4
101.00892	23.5
101.02378	11.5
102.00980	2.0
109.02882	2.5
110.97567	1.9
111.00809	3.0
113.00903	5.4
113.02346	2.6
115.02453	4.1
115.03949	2.1
116.98604	1.9
119.01937	23.6
119.04971	2.3
120.02043	2.6
121.01685	2.0
123.04463	2.0
127.02460	2.1
127.03934	13.0
129.00011	1.4
129.01917	2.0
131.01917	8.5
131.03448	7.4
133.03481	1.9
136.06192	2.3
136.07591	12.6
139.02472	2.1
143.01912	18.4
143.03465	2.3
144.01968	2.0
144.99893	2.0
145.01662	2.5
145.03426	4.8
145.04976	16.8
147.04405	1.9
149.02946	1.6
153.01828	2.7
155.01849	6.6
156.02069	1.9
157.01506	2.1
157.03484	6.7
161.02986	14.5
161.04250	2.5
162.03137	1.8
163.02719	2.6
165.05476	2.3
167.00752	2.0
167.01974	2.9
168.99844	2.6
169.03499	1.4
171.01389	3.5
173.03096	9.2
174.03009	2.1
175.02470	4.3
176.01454	2.7
176.07069	3.9
181.00539	3.5
181.03572	1.3
184.55081	1.7
185.03020	9.4
186.03110	2.3
187.00877	2.2
188.01262	2.0
189.02365	2.4
189.03937	2.7
190.01122	8.9
194.08119	3.2
194.10414	4.4
195.01402	5.2
199.02707	1.5
201.01955	5.5
202.01143	5.3
202.51529	1.8
203.04007	4.5
205.04651	1.8
208.01086	4.0
209.01826	2.1
211.01648	3.6
212.04100	9.5
213.02437	6.9
214.00981	2.0
214.51292	1.4
215.00378	5.6
215.02090	2.9
215.07501	2.0
217.01706	4.0
221.05034	2.5
223.01707	4.1
224.02362	1.5
224.04504	1.6
228.07480	1.4
229.01506	6.8
230.05093	3.5
231.03271	8.1
232.02170	7.1
237.07927	3.2
244.02214	8.0
244.52235	1.6
245.05142	2.4
247.02568	4.1
247.04869	2.9
248.05211	1.6
253.02542	10.1
253.52664	3.3
254.05238	1.8
257.01016	11.9
258.01556	1.7
259.02646	8.2
262.03159	5.2
265.57605	2.5
266.05066	2.4
274.58374	2.3
275.02216	16.9
276.02374	2.6
277.03513	9.7
285.00357	11.6
289.01923	3.2
303.01376	100.0
304.01685	8.1
305.01355	1.8
305.11041	2.9
307.02820	2.6
314.99506	1.8
317.03558	6.2
324.98428	2.1
333.00623	2.8
334.00995	1.7
335.02206	2.7
356.09317	25.2
361.00436	18.2
362.00684	2.7
368.09140	1.6
379.01495	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	356.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89054	3.4
56.96565	9.2
57.03427	6.6
57.94155	2.9
61.02928	4.6
69.03426	13.0
69.71178	20.4
71.04981	6.7
73.04759	3.7
81.03407	15.4
85.02916	25.3
94.40628	3.1
97.02900	13.5
98.20844	6.8
98.97598	14.4
99.04430	6.7
106.06565	15.0
110.97563	4.6
116.98581	6.0
117.22228	3.6
120.08132	3.7
127.03929	6.5
128.98657	3.4
130.06546	64.6
132.04482	43.5
132.08133	8.1
136.07585	8.5
137.06009	7.6
137.07916	4.0
145.05009	6.1
146.05998	14.2
147.04449	4.6
148.07593	48.9
153.69859	3.2
158.06070	17.1
158.99724	4.0
164.04221	4.6
164.07074	4.8
165.05392	3.9
166.04955	4.7
167.07088	4.1
176.03503	3.6
176.07079	100.0
177.07607	3.5
182.08118	4.8
183.08305	4.0
194.04539	17.1
194.08124	30.0
194.12012	3.4
219.01822	9.3
221.05612	5.9
222.05922	11.4
237.02924	6.6
338.10864	4.9
339.13800	13.5
355.07141	5.3
356.12921	13.8
356.16782	6.6
366.74835	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.0
60.59126	0.3
67.05523	0.3
69.03428	0.6
71.53751	0.4
71.89199	0.3
79.05483	0.4
81.03431	0.4
81.07066	0.6
85.02885	1.0
91.05465	1.7
93.07075	0.5
95.04980	0.4
95.08610	0.7
97.02882	0.7
97.06491	0.4
98.97575	0.8
105.07012	0.4
107.04986	0.5
109.02876	0.5
116.98658	0.4
119.04967	0.5
119.08542	0.6
121.02876	0.4
121.06471	0.5
123.04465	1.7
127.03911	0.4
131.08519	0.7
135.07997	0.4
137.05971	1.4
139.03885	2.0
140.98650	0.3
146.35802	0.3
147.04398	1.2
149.05949	0.3
149.09590	0.5
151.03949	0.5
153.01785	0.8
158.01735	0.3
158.99666	0.5
161.06062	0.6
163.03978	0.7
163.07567	0.5
165.05507	0.4
167.07063	0.8
177.05435	0.7
181.04947	0.4
195.10007	1.7
203.05374	0.4
203.07222	0.5
205.05038	0.5
205.08592	0.8
207.06551	0.4
210.56506	0.4
213.07820	0.5
221.05791	0.3
237.02863	0.4
239.93967	0.3
266.05182	0.3
357.15219	100.0
358.15619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.4
55.01870	3.4
55.05509	13.5
56.14494	2.3
57.03434	3.1
57.07054	4.3
61.29982	1.8
66.14049	1.8
67.05505	13.3
69.03442	14.0
69.07073	23.8
71.04989	8.7
71.53940	3.2
73.02897	2.4
74.28555	1.9
76.38272	1.8
79.05499	10.6
79.31786	1.8
81.03419	5.8
81.07062	34.4
83.04984	5.2
83.08150	1.8
83.08600	9.9
85.02908	14.4
85.06535	6.7
86.01852	1.8
91.05468	10.2
93.07048	31.2
95.04965	9.5
95.08609	74.7
97.02882	6.6
97.06534	3.7
97.10170	8.3
99.04456	2.9
99.08101	13.9
103.05495	2.4
105.07041	22.2
107.04983	4.8
107.08592	47.5
109.02888	2.9
109.06496	5.6
109.10164	23.7
111.04429	4.8
111.08073	7.0
111.11729	2.6
113.09637	3.3
115.03899	3.4
117.07021	3.0
119.08600	20.4
121.06499	4.2
121.10146	86.0
123.04440	4.2
123.08066	4.7
123.11694	22.6
124.85970	2.3
125.09619	5.7
127.03941	4.6
129.05437	2.4
129.06955	2.5
131.08582	7.2
133.10143	13.4
135.08051	4.1
135.11729	16.5
137.06001	19.5
137.09592	4.4
137.13223	6.2
137.14238	2.0
139.03821	2.6
139.11179	5.0
139.32094	2.2
141.06946	2.3
141.54861	2.3
143.05013	2.5
145.06482	3.5
145.10126	8.3
147.11682	7.3
149.05943	2.7
149.09644	5.6
149.13231	8.3
151.03891	2.5
151.07559	2.8
151.11176	2.7
153.01740	3.4
153.05460	3.0
157.10054	3.0
159.11707	7.2
161.05974	4.3
161.09650	3.1
161.13263	4.5
163.07549	3.4
163.14815	4.6
165.12741	2.1
167.07077	5.3
169.10187	2.0
171.11673	3.6
173.13321	4.0
175.07494	4.5
175.14838	8.6
176.07898	2.0
177.05431	2.6
177.09132	7.0
177.12784	2.6
177.16391	100.0
179.10635	2.4
180.07886	2.0
185.13295	2.2
187.14812	4.9
189.09158	2.6
189.16409	4.0
195.17366	3.8
196.13412	2.3
201.16385	3.9
203.07001	6.1
205.08676	4.4
205.15872	4.3
217.15784	3.4
219.17488	5.5
235.07527	2.5
238.82779	2.2
243.06483	2.4
247.16792	2.5
249.18367	1.9
257.04370	2.3
263.07053	3.7
277.08649	2.9
279.10086	2.9
285.18454	5.1
286.08313	5.0
293.07956	2.8
297.11169	3.5
303.19757	3.7
303.22961	4.1
307.09677	2.8
321.20566	7.4
325.10635	5.1
327.12238	4.8
339.12299	4.5
339.21719	4.9
339.25510	2.7
357.09308	3.7
357.13388	14.9
357.18488	3.3
357.22781	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	357.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54355	1.8
55.01870	3.7
55.05507	8.0
57.03440	3.8
61.02937	2.8
64.02782	1.8
66.79475	1.7
66.85004	1.7
67.05511	12.4
69.03415	8.0
69.07064	13.3
71.04974	3.3
77.30828	1.7
79.05489	7.2
80.73720	1.9
81.03419	4.7
81.07065	21.5
83.04977	5.3
83.08616	8.2
85.02894	10.3
85.06538	4.2
87.04507	2.0
91.05473	6.2
93.07047	23.3
94.81075	2.1
95.04947	5.5
95.08608	72.7
97.02892	4.8
98.20779	6.9
99.08096	7.1
105.07036	12.5
107.08605	38.8
109.02922	2.4
109.06525	2.6
109.10151	11.6
111.04443	1.8
111.08095	3.7
111.11698	3.3
117.07031	3.0
119.08571	13.0
121.06652	1.9
121.10148	66.3
123.08060	15.2
123.11707	20.2
127.03882	2.3
128.59987	2.0
131.08621	3.5
133.06519	2.4
133.10118	10.5
135.08022	1.9
135.11725	12.1
137.05974	5.0
139.11218	2.0
145.10115	4.2
147.11687	5.8
149.09660	3.7
149.13286	4.5
151.11191	3.1
157.10132	4.6
159.11697	5.7
161.06046	2.2
161.13271	6.5
163.07495	2.7
163.14821	3.5
171.11743	2.9
173.13274	3.2
175.07520	2.6
175.14816	5.9
177.16388	100.0
179.10721	2.2
181.12279	2.1
187.14778	3.0
189.16335	2.5
195.17383	4.4
199.14880	2.3
201.16393	3.6
207.11835	2.3
213.16399	2.6
219.17462	3.2
239.05948	2.9
243.17502	3.5
266.35605	1.9
285.18604	2.4
303.19577	3.6
321.20633	4.9
327.69675	2.2
339.21643	4.7
357.13385	7.2
357.22815	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	357.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
55.01867	6.5
55.05516	31.8
57.03438	4.1
57.07076	5.8
61.02929	3.2
65.03924	2.2
65.87560	1.8
67.05511	21.4
69.03440	13.1
69.07072	51.8
69.26555	7.3
69.26977	10.7
71.04994	5.7
73.02953	2.1
74.75280	1.8
76.16814	2.2
79.05503	14.9
81.03411	6.1
81.07065	52.7
83.04996	10.1
83.08612	10.4
83.19202	1.7
83.19982	1.9
85.02908	18.4
85.06528	11.1
91.05473	14.1
93.07052	32.7
95.04967	8.1
95.08614	100.0
97.02891	6.2
97.06540	8.8
97.10175	43.6
98.20758	3.7
98.24225	2.0
99.04498	3.1
99.08099	30.2
105.07040	22.5
107.04965	4.4
107.08596	41.7
109.02882	6.5
109.06522	5.8
109.10158	28.1
111.04449	3.6
111.08086	16.7
111.11722	25.4
113.09655	2.6
115.03942	3.2
117.07014	2.4
119.04971	4.0
119.08598	19.5
121.06512	4.6
121.10149	64.6
123.04436	10.1
123.08083	4.9
123.11717	40.8
125.09650	6.9
127.03917	3.9
129.05515	2.4
129.06946	2.3
131.04982	2.6
131.08572	6.4
133.04926	2.3
133.10146	18.1
135.08040	5.3
135.11703	16.3
137.06006	16.4
137.09613	5.2
137.13260	5.6
138.93269	1.8
139.03886	2.1
139.11201	14.0
143.08606	6.0
143.10664	8.9
145.04999	2.1
145.06485	2.3
145.10139	9.6
147.04399	5.0
147.11728	12.9
149.05991	2.5
149.09624	5.4
149.13251	8.8
151.03951	3.9
151.07513	4.4
151.11208	2.8
151.14763	2.8
153.01860	2.7
153.09059	3.0
153.12683	3.8
157.10146	7.3
157.12257	8.4
159.08018	3.4
159.11720	9.6
161.05922	3.6
161.09641	3.9
161.13275	10.4
163.03925	4.1
163.07529	6.9
163.11165	3.9
163.14810	7.0
165.05423	2.3
165.09099	4.4
165.12723	4.3
167.07095	4.4
167.10654	2.9
169.10107	3.5
171.10280	2.3
171.11728	5.5
173.13239	5.8
175.07564	3.4
175.14836	10.5
177.05513	3.0
177.12772	3.1
177.16396	67.1
179.08525	2.6
179.14313	2.4
181.06691	2.0
183.10205	2.9
185.13251	2.9
187.14825	5.5
188.04800	2.1
189.11226	3.4
189.12811	2.1
189.16393	4.2
191.14272	2.5
193.15868	3.7
195.17509	7.3
199.14941	3.2
201.16405	6.0
202.93527	2.2
205.08586	13.0
205.15866	2.8
207.17545	2.3
217.15895	3.3
219.17458	4.5
223.16907	3.2
227.14357	2.1
235.17102	2.2
243.17464	5.0
247.07513	2.2
249.18626	2.3
251.16377	2.1
253.08586	3.3
255.12579	2.5
263.16391	2.8
279.09918	3.2
279.19577	2.6
285.18546	3.1
297.11090	2.2
303.19638	6.4
303.23169	10.5
307.09555	5.1
321.20551	11.2
321.24268	22.5
325.10895	4.3
327.12210	2.0
339.12198	3.2
339.21591	6.6
339.25314	9.2
357.13150	24.3
357.22696	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	357.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.72323	1.8
55.01867	8.4
55.05502	10.8
57.03438	5.3
57.07070	2.8
59.04986	1.8
59.36396	1.7
61.02925	2.6
65.03942	1.9
67.05499	18.3
69.03419	11.6
69.07072	43.9
69.30300	4.8
69.30719	11.2
71.05006	2.4
72.33353	1.6
73.02912	2.0
74.21937	1.9
79.05486	9.8
81.03416	5.2
81.07059	33.1
83.04977	7.3
83.08622	8.4
85.02915	18.9
85.06539	6.4
88.32393	2.3
91.05481	12.1
93.07044	27.2
95.04977	5.9
95.08610	100.0
97.02890	5.7
97.06512	3.1
97.10166	8.0
98.20782	3.5
99.04447	2.9
99.08107	30.2
103.03923	4.1
105.07015	13.9
107.04955	3.2
107.08592	38.0
109.02888	5.2
109.06539	6.8
109.10170	21.5
111.04446	3.6
111.08077	12.5
111.11725	29.4
113.09676	2.2
115.03940	2.3
115.05482	3.3
117.07014	2.7
119.04930	4.4
119.08570	17.0
121.06534	5.2
121.10152	66.3
123.04461	6.5
123.08080	6.5
123.11711	31.3
125.09641	5.6
127.03886	4.7
129.06982	3.2
131.08592	6.2
133.04950	2.2
133.06482	2.7
133.10138	16.2
135.08064	3.8
135.11694	12.9
137.05984	9.3
137.09721	2.4
137.13261	5.3
139.11176	8.5
143.08490	3.2
145.04968	2.9
145.10147	9.2
147.04408	4.5
147.11693	9.0
149.09607	3.1
149.13242	9.6
151.11174	2.3
153.01833	2.4
156.09297	2.2
157.10153	3.9
159.11710	10.0
161.13251	7.9
163.07533	5.1
163.14813	8.3
165.05565	2.7
165.09143	3.6
167.07118	4.6
169.10229	2.4
173.13283	5.6
175.07523	2.2
175.11096	1.9
175.14886	10.5
177.09145	2.7
177.12843	2.8
177.16399	74.4
181.15845	2.1
183.11644	2.6
185.13316	2.3
187.14844	5.0
189.09024	1.9
189.16393	5.4
191.10594	2.0
192.17572	1.9
193.15997	3.0
195.10172	2.1
195.17474	6.8
201.16377	7.9
203.17924	2.2
205.08623	11.9
215.14343	2.3
217.15848	2.8
219.07913	2.9
219.17465	6.8
227.14284	2.0
231.17403	4.2
237.18398	2.8
243.17351	2.5
247.07426	1.8
255.17081	2.2
261.18454	3.5
265.08490	2.3
267.17511	2.9
270.08908	2.2
285.18579	4.3
297.10956	3.4
303.19601	7.6
303.23053	3.5
307.09470	2.6
313.10690	3.6
321.11316	1.9
321.20563	14.8
321.24197	4.6
325.10974	2.3
339.12329	2.5
339.21625	10.8
357.13107	15.0
357.22763	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	357.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.2
55.05518	16.5
56.96559	4.2
57.03434	4.2
57.07057	4.2
61.02919	4.5
65.05342	1.7
67.05505	19.8
69.03421	9.0
69.07070	55.5
69.35983	10.8
69.36388	3.6
71.04993	5.4
73.02918	4.1
73.93948	2.1
73.98286	1.8
77.12692	1.6
79.05484	12.5
79.36805	1.6
81.03397	7.7
81.07063	37.3
83.04970	7.0
83.08619	9.7
83.18919	1.7
85.02911	20.0
85.06532	10.0
91.03941	2.1
91.05481	10.9
93.07050	32.0
95.04975	9.3
95.08611	100.0
97.02876	7.4
97.10149	6.9
98.97629	2.2
99.04443	2.5
99.08095	34.3
103.03925	3.4
105.07027	18.0
107.04951	2.5
107.08601	41.9
109.02866	4.9
109.06506	3.8
109.10155	22.8
111.04453	5.3
111.08074	14.4
111.10962	2.3
111.11717	34.5
117.07018	3.1
119.08588	19.9
121.06503	6.4
121.10146	74.7
123.04475	4.9
123.08067	4.2
123.11716	33.5
127.03906	3.8
129.05421	2.6
129.07019	4.4
130.01143	2.2
131.08559	8.1
133.04926	2.5
133.10117	12.9
133.13570	2.2
135.08025	3.8
135.11736	12.3
137.05931	5.8
137.13239	5.8
139.11153	5.5
143.08595	5.3
145.04956	3.0
145.10135	9.1
147.04430	2.6
147.07973	2.9
147.11653	12.8
149.09595	2.9
149.13235	14.6
151.07550	2.7
151.11156	2.9
153.01840	3.3
155.08601	2.8
157.10139	5.5
159.11670	9.4
161.05942	2.5
161.09567	3.2
161.13248	12.5
162.51128	2.2
163.07478	3.6
163.11160	4.0
163.14836	9.9
165.05511	3.2
165.09099	5.1
165.12823	2.3
171.11705	4.4
173.09644	2.8
173.13280	3.4
175.14815	8.9
177.12805	2.9
177.16397	78.2
178.63628	2.0
179.66005	2.0
181.15935	3.0
183.10181	2.7
185.09746	2.2
185.13297	2.6
187.14845	5.3
189.16365	4.8
195.17455	7.1
197.13345	3.6
199.14935	2.7
201.16397	8.2
203.14388	3.1
205.08649	9.5
205.15839	2.8
207.17487	2.1
207.55133	2.1
213.16383	4.0
217.15831	2.5
219.17404	4.7
227.14278	3.5
231.17439	3.2
237.18562	2.9
243.17453	4.2
255.12125	2.0
259.11154	2.7
261.18478	2.2
267.09192	3.1
279.19482	4.7
285.18573	4.9
303.19504	6.2
303.76126	2.3
321.20786	10.3
333.14395	3.8
339.21521	10.7
357.13287	8.8
357.22705	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01861	1.5
55.05269	2.3
55.05510	30.3
56.05843	1.5
57.03426	3.3
57.07072	15.1
67.05172	2.3
67.05505	26.6
69.07067	45.1
69.49755	9.4
70.06607	7.3
71.04984	2.2
71.08640	10.6
79.05490	13.6
81.07059	34.4
83.08154	1.7
83.08619	29.4
84.67532	1.4
85.06525	2.8
85.10178	4.1
88.07629	9.1
89.07969	2.2
91.05492	3.7
93.07040	19.1
95.08610	35.4
97.06531	10.0
97.10163	20.6
99.08094	2.3
102.09174	3.6
105.07021	3.0
106.08650	5.9
107.08588	16.7
109.10163	17.2
111.08086	4.9
111.11713	7.1
119.08569	3.0
121.10146	36.1
123.11697	6.3
125.09617	2.8
125.13194	1.7
129.09155	1.7
135.11702	27.5
137.13257	3.2
149.13284	10.2
151.14813	4.1
153.12703	2.9
157.99840	1.3
163.14821	6.1
165.16406	4.6
167.14305	1.8
177.16379	4.2
191.17909	2.0
195.17421	1.6
247.24222	33.0
265.25266	33.9
277.35336	1.4
283.26315	4.1
339.29034	29.2
339.34402	7.4
357.26282	14.8
357.35538	100.0
380.09015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71802	1.2
53.89326	1.1
53.91249	1.1
55.01861	1.4
55.43449	1.2
56.96555	3.2
57.03421	2.0
61.02929	1.7
69.03415	3.5
70.06585	1.8
71.46051	1.6
72.08147	1.7
81.03411	3.9
85.02924	9.1
91.94692	1.3
94.06560	2.7
95.05016	1.4
97.02891	3.3
98.97585	4.4
98.98366	1.2
109.02898	2.2
110.06027	2.1
119.04913	1.4
122.06007	2.9
123.04460	1.4
127.03937	4.8
137.05989	3.8
145.04929	1.5
147.04420	3.9
150.05490	4.2
153.01810	5.2
167.11803	1.9
170.04919	1.6
178.05000	2.3
178.08546	3.9
188.05939	1.7
196.03725	98.4
196.06041	52.2
196.09698	4.9
200.89417	1.3
206.08167	1.6
213.12361	3.9
214.03842	3.6
219.01683	2.1
232.04901	3.6
237.02931	2.0
240.12402	1.3
256.05167	1.4
277.07480	1.8
352.10440	1.4
358.08975	100.0
358.14771	4.7
359.13110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1496
Annotation	Bakankoside
Peak:m/z	Relative Intensity
50.85596	0.3
53.03930	0.7
55.01858	1.3
55.05494	1.0
56.96564	3.4
57.03439	2.6
59.04957	0.3
61.02928	3.0
61.35595	0.3
67.05492	0.9
69.03089	0.5
69.03431	6.7
69.77394	1.3
69.77809	0.7
70.06578	0.5
71.05002	2.5
71.57261	0.4
72.08134	0.5
73.02910	3.1
79.05475	0.9
80.05021	0.4
80.49766	0.3
81.03412	3.0
82.06545	0.5
83.04961	0.8
84.96021	0.6
85.02908	14.9
85.03432	0.8
86.03219	0.5
86.09653	0.4
87.04452	1.6
90.05509	0.4
91.03973	0.9
91.05469	2.5
95.04955	0.4
96.04526	0.4
97.02892	8.3
98.03252	0.5
98.97590	7.0
99.04463	3.1
100.04762	0.4
101.00903	2.3
101.02371	0.6
103.00637	0.8
103.05470	0.6
105.07007	1.6
108.08115	3.0
109.02890	1.8
110.06055	0.7
110.97546	0.8
111.04410	0.6
112.99139	0.7
113.00880	0.5
114.05523	0.8
115.02465	1.0
115.03966	0.8
115.05450	0.9
116.98606	2.0
117.05759	3.6
118.06465	0.6
119.01921	3.3
120.01998	0.4
120.08080	0.5
122.05977	0.6
122.09639	0.5
123.04342	0.9
123.06832	1.9
124.07567	1.1
124.99132	0.6
125.02229	0.4
127.02415	0.8
127.03916	4.4
128.04303	0.6
128.98613	1.0
130.06516	1.6
131.01917	1.5
131.07343	0.6
132.07196	0.6
132.08098	8.3
132.52315	0.4
133.01665	0.6
133.03474	1.2
133.05173	1.2
134.06007	4.5
134.99695	0.6
136.03772	0.7
136.07576	7.6
137.06000	0.5
138.05502	0.4
139.03979	0.5
143.00157	0.6
143.01897	2.4
144.02086	0.4
145.01674	0.4
145.03554	2.4
145.04945	3.9
146.99576	0.5
147.06796	4.5
148.07578	20.7
149.05812	0.6
149.08319	0.6
150.05460	0.8
150.09152	10.0
152.05135	0.5
152.07077	9.5
153.01833	1.3
153.05736	1.6
153.07819	1.1
155.01888	2.1
156.02103	0.4
157.03429	2.0
158.99651	1.2
160.04912	0.6
160.07585	20.3
161.01196	0.6
161.02969	2.7
162.03041	0.5
162.06557	0.5
163.06290	0.6
164.07013	0.7
166.08633	1.2
168.03601	1.1
170.08147	0.4
170.99651	0.9
171.01401	0.8
171.05090	1.0
173.01176	0.6
173.02960	1.9
175.02715	0.5
175.04506	1.0
176.04578	0.4
176.07100	0.6
177.00691	0.8
177.04163	0.6
178.06114	2.0
178.08640	54.2
179.09232	0.5
180.10217	1.1
182.99646	0.5
183.05054	0.5
185.02834	1.9
186.03157	0.5
186.53345	0.9
187.54137	0.5
188.04514	0.4
188.09204	1.1
191.03937	0.4
194.08081	0.9
195.08435	0.8
195.53941	1.3
195.56517	0.5
196.04051	2.4
196.06961	1.5
196.09692	60.0
196.54730	1.8
197.02916	0.7
199.04539	0.7
201.00722	0.4
203.02368	0.6
203.03943	1.9
209.03021	0.5
212.07582	0.5
214.03867	1.4
219.01717	2.1
219.07108	0.8
221.05046	3.9
221.06795	0.5
222.05235	0.5
223.04622	0.5
223.07953	0.5
226.08241	0.6
227.03992	0.6
228.01756	0.9
231.07234	0.4
232.06985	0.6
232.96466	0.6
237.02802	1.3
239.07727	1.1
240.06796	0.4
244.99661	0.5
245.05087	7.9
246.05060	1.3
249.02905	0.5
251.07475	1.3
254.56557	1.1
255.03922	0.5
255.06558	2.0
256.07806	1.1
257.08591	0.5
259.06631	3.1
262.05850	1.2
263.06158	1.7
267.56021	1.1
268.06201	0.5
268.56708	0.9
275.01999	0.9
276.56531	1.3
277.03299	1.2
277.06512	0.5
277.57391	1.7
278.03860	0.5
298.04874	0.7
299.58191	0.4
303.01407	3.5
304.01505	2.1
305.01819	0.6
311.09570	1.1
314.12598	0.6
316.08749	0.8
317.07111	1.1
321.10269	0.6
322.10651	3.6
335.08191	1.6
340.08453	0.6
340.12454	1.9
358.11050	5.8
358.14984	100.0
359.15018	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	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.6
57.03436	1.0
57.07082	7.8
58.06594	1.3
67.05505	7.3
69.07074	4.9
69.77903	0.9
70.06263	0.9
70.06603	9.6
71.08637	8.3
71.19949	0.8
79.05489	6.1
79.38707	0.9
79.48117	1.0
81.07072	9.3
83.04980	2.5
83.08623	2.9
88.07628	9.4
90.73127	1.0
91.05493	5.5
93.07049	9.0
95.04974	1.5
95.08611	6.3
97.06521	3.1
97.10146	1.3
99.08096	4.7
102.09176	3.9
104.12257	0.9
105.07016	3.1
106.08687	8.3
107.08621	4.6
109.10174	3.0
111.08092	1.1
117.07037	1.8
119.08593	3.4
121.06517	1.0
121.10150	4.0
131.08589	2.1
133.10147	5.2
135.11697	3.3
139.11168	3.6
145.10126	2.1
147.11684	3.2
149.13239	3.6
151.11298	1.9
159.11710	1.7
161.13234	2.4
163.11137	1.8
175.14845	2.0
193.71869	0.9
195.13762	2.3
206.08162	2.8
228.98817	1.2
229.00955	1.2
241.19521	1.9
259.20639	2.4
277.21643	7.4
305.24863	2.6
337.17987	1.2
340.35812	6.2
358.16553	1.2
358.28329	4.3
358.36807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93463	0.4
55.01865	0.6
56.96579	1.5
57.03434	0.9
61.02925	0.9
67.05483	0.4
69.03438	2.3
69.41470	3.1
70.06582	0.6
71.04980	0.7
72.08158	0.7
77.65590	0.4
81.03426	1.3
81.07051	0.8
84.08121	0.4
85.02921	6.1
86.09725	0.7
87.04487	0.6
91.05477	1.0
95.08623	0.7
97.02911	2.8
98.97590	2.7
99.04399	0.8
101.00899	1.3
107.04934	0.5
109.02889	0.9
109.06515	0.6
110.97600	0.6
112.99123	0.5
119.01950	2.5
123.04452	0.5
127.03912	2.3
131.01907	0.8
133.02869	2.8
137.05989	8.4
143.01947	1.4
145.04962	1.6
147.04483	0.7
150.54445	0.5
151.03960	0.8
153.01863	0.6
158.99736	1.1
161.02943	1.8
165.05501	3.3
170.42267	0.5
179.05414	0.6
182.05867	0.5
185.04356	0.7
191.06868	0.5
196.03830	0.9
197.04242	1.7
197.07959	10.7
201.00691	0.8
203.05327	2.1
219.01775	0.8
228.45383	0.5
231.05435	0.6
237.02890	0.9
239.02664	0.6
239.07709	1.9
249.06706	0.6
257.08777	0.6
261.02908	1.1
299.09991	0.6
359.13156	100.0
360.13361	1.2
376.98840	0.5
377.13098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1339
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01871	6.2
57.03436	4.3
61.02915	3.5
67.05491	3.4
69.03434	11.4
69.07094	3.0
69.78202	9.5
69.78622	4.4
73.02931	27.4
81.03419	4.2
83.04984	3.3
85.02908	18.1
86.09705	4.9
91.05466	5.7
95.04961	3.0
97.02928	6.0
98.97591	6.7
104.85293	2.8
109.02905	5.0
113.06046	3.0
116.98577	4.0
119.06059	16.1
123.04448	8.2
123.06881	2.7
125.06008	40.3
127.03934	3.8
131.04922	4.0
137.05998	23.7
137.07018	4.4
144.89926	2.7
147.04503	3.9
147.05580	9.3
148.03976	5.3
148.06337	52.8
149.06029	5.2
149.07121	68.5
151.03926	100.0
151.05026	6.1
151.07521	4.2
153.01871	3.3
157.54721	2.6
163.07645	3.0
165.05394	3.9
165.06622	37.6
166.07408	8.9
167.07068	3.4
175.07611	4.4
179.06740	19.7
179.08351	31.9
179.10587	3.3
187.07491	3.3
190.40202	2.7
191.07027	6.6
197.07904	87.4
197.09535	14.1
197.13037	2.8
204.11008	2.4
208.09769	7.5
263.56012	2.5
359.07767	3.4
359.14435	71.2
359.16891	47.0
360.14365	5.0
371.99164	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01878	1.3
56.96556	0.9
57.03434	1.7
61.02918	3.1
65.50689	0.8
67.05493	1.9
69.03438	7.4
69.07063	1.3
69.99683	3.0
70.06590	4.6
71.04973	1.0
72.08154	0.9
73.02921	2.0
81.03409	4.3
81.07064	1.0
83.05003	1.0
85.02908	24.2
86.09708	1.8
91.03949	1.6
91.05486	3.6
93.07030	4.5
93.34513	1.0
95.04977	1.4
95.08613	2.1
97.02891	7.3
98.97590	3.5
99.04477	1.1
103.05461	0.8
105.07026	5.3
106.02895	1.3
107.03227	1.0
107.08601	32.9
109.02871	2.4
109.06515	0.8
109.10158	7.4
113.05995	0.8
119.04900	1.3
119.08587	2.3
121.06509	1.5
123.04427	3.2
124.03978	1.3
125.04265	0.9
127.03922	3.9
133.10132	15.6
135.08087	0.9
135.11693	7.7
136.07654	1.1
137.05937	5.8
137.09625	4.5
139.03926	1.5
145.04976	6.3
149.05852	1.0
149.09592	0.8
151.11183	2.3
161.09607	3.4
163.07558	1.8
179.10684	16.9
181.08694	1.4
185.43445	0.9
189.09187	1.1
191.07024	1.1
197.11731	76.0
208.09781	3.1
222.08313	1.0
359.16763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
54.08027	0.3
55.01863	0.9
55.05505	0.6
57.03435	1.2
61.02913	1.6
65.06524	0.4
67.05503	0.7
69.03426	2.8
69.07079	0.4
69.54445	1.6
69.54861	0.7
71.04968	0.6
73.02911	0.7
79.05486	1.2
80.69930	0.3
81.03409	0.8
81.07053	2.1
85.02905	7.9
86.09719	0.4
87.04478	0.4
91.05488	2.9
93.07045	5.2
95.04926	0.4
95.08626	1.7
97.02913	1.9
97.06528	0.5
99.04458	0.4
103.05457	0.5
105.07032	5.7
107.04988	0.4
107.08593	29.4
109.02889	0.9
109.06528	0.9
109.10151	1.7
111.04494	0.4
119.04939	0.6
119.08575	4.9
121.06505	0.9
121.10143	5.8
123.08125	0.8
123.11710	0.7
125.09579	0.6
127.03905	1.4
131.08533	1.1
133.10136	14.6
134.79861	0.3
135.11655	0.7
136.13254	0.3
137.05968	3.0
137.09604	1.1
139.07536	0.9
139.24983	0.4
143.08585	0.8
145.04982	0.7
149.09608	3.3
151.03865	0.5
151.07558	0.7
151.11192	6.8
153.05493	0.6
161.09624	5.4
167.06999	0.4
167.10680	12.5
179.10666	13.0
197.11729	100.0
198.12027	1.2
202.18242	0.3
341.13803	0.7
359.15097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01874	1.6
55.05523	1.1
57.03433	2.2
61.02950	3.0
65.03948	0.7
67.05511	2.2
68.87586	0.7
69.03433	7.4
69.07088	0.9
70.06592	1.2
71.04997	1.2
71.53703	1.2
72.29553	0.6
73.02917	2.5
79.05503	3.2
81.03444	2.9
81.07061	4.5
83.04986	0.6
85.02919	24.3
85.06557	1.2
86.09711	1.5
91.03983	0.8
91.05491	4.9
93.07056	7.8
95.04985	1.6
95.08645	3.3
97.02905	6.6
97.06533	1.5
98.97620	0.8
99.04480	0.8
100.64340	0.6
103.05466	1.0
105.07043	8.6
107.04928	1.0
107.08610	31.7
109.02893	2.2
109.06544	0.9
109.10179	2.5
111.04454	0.7
111.08092	1.0
118.06512	1.2
119.04987	1.2
119.08624	5.6
121.06525	2.2
121.10153	8.1
122.03649	0.9
123.04469	1.4
123.08060	0.9
123.11741	1.5
127.03927	4.6
131.04929	1.7
131.08598	1.2
133.02881	1.1
133.06503	0.7
133.10143	18.2
135.04387	0.7
135.11726	1.6
137.05981	7.8
137.09683	2.0
139.07532	1.8
139.11264	0.8
141.05482	1.0
143.08543	0.8
145.04982	4.2
147.04416	1.6
149.02367	10.5
149.05974	1.4
149.09624	3.6
151.03914	0.8
151.07567	1.9
151.11198	7.6
153.05530	1.1
161.05997	1.9
161.09642	4.8
162.06761	0.8
163.03922	8.1
163.07573	1.4
167.07101	1.1
167.08542	0.7
167.10701	13.0
175.07507	1.2
177.05560	0.9
178.08684	0.7
179.07141	1.4
179.09143	1.0
179.10689	17.9
180.11075	0.7
181.04947	3.9
187.07466	0.8
191.07076	1.6
197.11758	100.0
200.13957	0.8
203.05229	0.7
208.09680	1.3
225.93797	0.6
265.08377	0.8
279.10205	0.9
295.09921	0.7
297.11325	0.9
299.12900	0.9
313.10797	1.1
327.12241	3.0
341.13956	2.0
359.13132	1.2
359.16708	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03942	1.7
55.01855	1.1
56.22513	0.7
57.03434	1.8
61.01929	0.8
61.02917	1.8
67.05482	1.3
68.58624	0.7
69.03139	0.6
69.03436	6.6
70.82022	1.7
70.82381	1.1
71.04963	1.0
73.02901	1.2
79.05492	1.6
81.03384	2.4
81.07056	1.3
85.02905	25.7
91.05473	3.0
93.07050	5.3
95.04959	2.3
97.02884	5.8
105.07032	6.2
107.08598	18.6
109.02866	2.3
109.10154	1.3
119.08566	1.6
121.02890	2.1
121.06494	2.0
123.04410	1.2
123.11710	1.0
127.03079	0.8
127.03911	4.2
133.10127	18.9
135.11693	16.7
137.05984	2.2
137.09630	1.5
145.04947	2.9
151.11215	1.3
161.09660	9.0
179.10680	34.2
185.29233	0.8
197.11739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03924	0.5
54.08027	0.3
55.01863	0.9
55.05505	0.6
57.03435	1.2
61.02913	1.6
65.06524	0.4
67.05503	0.7
69.03426	2.8
69.07079	0.4
69.54445	1.6
69.54861	0.7
71.04968	0.6
73.02911	0.7
79.05486	1.2
80.69930	0.3
81.03409	0.8
81.07053	2.1
85.02905	7.9
86.09719	0.4
87.04478	0.4
91.05488	2.9
93.07045	5.2
95.04926	0.4
95.08626	1.7
97.02913	1.9
97.06528	0.5
99.04458	0.4
103.05457	0.5
105.07032	5.7
107.04988	0.4
107.08593	29.4
109.02889	0.9
109.06528	0.9
109.10151	1.7
111.04494	0.4
119.04939	0.6
119.08575	4.9
121.06505	0.9
121.10143	5.8
123.08125	0.8
123.11710	0.7
125.09579	0.6
127.03905	1.4
131.08533	1.1
133.10136	14.6
134.79861	0.3
135.11655	0.7
136.13254	0.3
137.05968	3.0
137.09604	1.1
139.07536	0.9
139.24983	0.4
143.08585	0.8
145.04982	0.7
149.09608	3.3
151.03865	0.5
151.07558	0.7
151.11192	6.8
153.05493	0.6
161.09624	5.4
167.06999	0.4
167.10680	12.5
179.10666	13.0
197.11729	100.0
198.12027	1.2
202.18242	0.3
341.13803	0.7
359.15097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99097	0.7
55.01875	1.0
56.96561	1.5
57.03437	2.4
65.03951	1.0
66.78013	0.6
67.05496	1.8
67.80302	0.7
68.04399	0.6
68.99791	1.8
69.03423	2.3
69.07060	0.8
70.06599	8.4
71.04989	1.1
71.53535	0.8
72.08147	1.2
77.03944	0.7
77.12948	0.6
79.05487	1.3
81.03397	0.9
81.07053	1.6
83.01343	1.1
85.02917	5.5
86.09717	2.0
87.04465	0.8
90.58515	0.7
91.05488	6.5
92.05876	0.6
93.07054	2.4
95.04987	6.3
95.08627	1.5
97.02898	3.2
98.97597	2.2
105.03416	0.9
105.07048	2.4
107.04958	1.6
107.08595	2.4
109.02902	0.9
109.06512	1.2
115.05437	1.1
116.98631	1.3
117.07036	3.7
119.04955	8.1
121.02874	0.9
121.06492	3.2
123.04446	62.2
123.08069	1.0
124.07580	0.8
127.03970	3.9
133.06509	1.0
134.10515	0.8
135.04456	3.7
135.08064	3.7
136.07567	2.6
137.06013	6.2
138.06403	0.8
138.09160	0.8
139.03932	1.8
143.04982	1.0
145.04965	3.1
145.06506	2.7
147.04433	31.2
149.05998	3.3
151.03943	3.0
157.06514	1.9
158.99684	0.8
159.08304	0.7
161.05984	4.6
163.03934	6.3
163.06223	0.9
163.07552	13.1
165.05499	16.9
165.06845	0.9
167.07036	1.3
173.06006	6.8
175.07547	3.3
179.07043	5.6
181.04991	2.1
185.05975	1.9
187.07544	1.4
189.05524	1.4
190.08661	16.1
191.07053	76.5
197.11719	1.6
198.12166	1.3
202.08638	1.1
203.07047	6.0
207.06520	2.1
208.09718	33.5
220.09694	1.8
221.08130	3.5
225.07071	0.7
233.04593	1.4
297.11224	0.8
297.58987	0.7
324.12366	0.9
325.10751	10.1
342.13571	3.9
343.11792	22.2
358.08142	0.8
360.14426	100.0
361.14526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
55.01873	0.7
57.03438	0.9
67.05502	0.7
68.99784	1.0
69.03428	0.4
69.18697	3.5
70.06245	0.4
70.06603	3.3
70.88013	0.4
71.01344	0.3
79.05479	1.0
80.17287	0.3
81.07040	1.2
83.01326	0.9
85.02924	0.4
91.05473	1.6
92.59965	0.3
93.07076	0.5
95.04971	1.9
95.08627	0.8
103.05434	0.5
105.03391	0.6
105.07031	0.5
107.04979	0.7
107.08585	0.9
117.07013	2.0
119.04953	2.6
121.06530	3.4
123.04444	20.2
133.06535	0.6
135.04387	1.8
135.08058	3.0
135.62483	0.3
136.07594	1.8
137.05952	1.9
139.03859	0.5
145.06490	2.8
147.04420	6.0
148.05211	0.4
149.06004	2.4
151.03906	1.1
157.06467	1.0
161.05983	1.6
163.03912	1.5
163.07559	12.4
165.05505	3.9
167.07028	1.1
173.06015	7.1
175.07542	1.1
176.04681	0.5
179.07056	4.5
185.05997	0.7
188.07074	0.7
189.05481	0.6
190.08659	11.6
191.07048	59.0
203.07065	3.1
208.09709	100.0
209.10034	1.1
215.06952	0.5
220.09723	1.5
221.08093	0.7
325.10684	4.1
342.13373	4.1
343.11768	2.5
348.70264	0.4
360.14447	33.9
361.14590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
56.96568	0.6
57.03450	1.8
67.05508	1.2
68.99812	1.6
69.03445	1.7
69.07101	0.6
69.18656	4.3
70.06602	3.4
71.01393	0.6
71.04993	0.4
72.08163	2.3
77.70512	0.4
79.05504	1.3
81.03408	0.7
81.07067	1.4
83.01362	0.9
83.04965	0.6
84.04555	0.6
85.02917	2.4
86.09715	0.8
91.05482	2.6
93.07039	1.2
95.04970	2.7
95.08645	1.3
95.46833	0.4
97.02899	1.7
98.20766	0.8
98.97588	2.6
105.07037	1.6
107.04986	1.6
107.08652	1.4
109.06541	0.6
115.05472	0.8
117.07029	2.9
119.04953	3.5
119.08569	0.8
121.02877	0.7
121.06529	3.7
122.02688	0.5
123.04442	29.2
125.02361	0.6
127.03938	1.1
131.04907	0.5
133.10068	0.5
135.03517	0.4
135.04437	2.3
135.08051	3.2
136.07552	2.6
137.05980	2.4
139.03900	2.6
145.04982	1.4
145.06509	2.3
147.04424	11.8
148.05238	0.8
149.05988	2.3
151.03917	2.9
152.10797	0.6
157.06525	1.0
158.99736	1.0
161.05988	2.8
162.05435	0.7
162.09068	0.7
163.03918	1.9
163.07556	14.1
165.04335	0.6
165.05519	5.5
167.07056	1.0
170.83891	0.4
170.99649	0.6
172.07544	0.5
173.06012	6.5
175.07593	1.2
176.04639	0.5
177.05544	0.4
179.07062	5.9
180.06560	1.0
185.06003	1.0
187.07480	1.1
188.06998	0.5
190.06900	0.7
190.08649	13.7
191.07048	67.1
192.07428	0.6
195.32242	0.4
198.11931	0.6
198.83405	0.5
201.12392	0.8
203.07039	3.7
207.06580	0.8
208.09708	100.0
209.10030	1.1
215.07018	0.5
215.09322	1.4
219.01787	0.9
220.09659	1.6
221.08055	1.3
229.11800	0.7
236.46890	0.4
237.02760	0.5
325.10690	5.6
342.13535	4.4
343.11749	6.1
360.14328	46.6
361.14282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84337	1.2
53.03947	1.7
55.01877	9.1
57.03445	10.5
61.02940	6.4
62.06092	2.5
67.05524	1.4
67.98457	1.2
69.03440	35.4
69.27512	10.6
70.06595	1.2
71.04985	2.8
73.02924	9.4
81.03426	6.8
84.82549	1.0
85.02915	100.0
87.04494	2.4
91.03967	3.7
97.02903	33.7
98.03274	1.1
98.20718	1.4
98.97638	1.5
99.04469	9.8
101.00906	2.3
101.02394	6.7
109.02895	9.3
115.03963	5.7
119.01936	3.9
123.30778	1.1
127.03934	63.1
129.47911	1.2
131.01910	1.2
143.01923	2.6
145.03528	3.1
145.04979	64.8
152.07030	1.9
155.01903	2.4
157.03464	1.5
161.03021	2.2
163.06056	16.2
169.03435	2.2
173.02972	2.8
175.04268	1.4
180.06624	3.9
180.08740	2.0
181.07039	1.4
185.02928	2.9
187.04532	1.4
197.02919	1.5
198.07629	7.4
198.09514	1.5
203.04010	1.6
215.04115	2.2
218.06371	1.4
221.04996	1.9
245.05113	2.5
254.03487	1.5
270.07245	2.7
275.06180	2.5
276.06281	1.2
279.07861	2.6
317.05988	1.2
329.03610	3.7
347.63370	1.3
349.06235	1.6
360.12930	4.3
361.05923	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	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01875	9.5
57.03440	8.0
59.65482	1.6
61.02922	6.4
69.03434	35.5
69.17390	1.4
70.91415	3.9
71.01350	2.2
71.05000	1.8
73.02918	6.8
75.88766	1.2
81.03432	7.7
85.02911	100.0
91.03928	1.6
97.02900	34.3
99.04491	7.5
101.00888	1.7
101.02390	7.1
109.02877	6.6
115.03934	4.8
127.03929	76.5
145.04974	66.8
155.01898	2.8
163.06038	19.7
169.03482	1.7
173.02948	2.4
180.08693	5.2
196.82269	1.4
289.09174	2.6
384.01990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46034	1.6
55.01874	11.5
57.03442	8.6
57.07076	3.0
61.02922	6.3
67.31996	1.7
69.03432	38.6
70.82526	4.7
71.05001	2.7
73.02900	8.5
74.63641	1.6
81.03416	6.3
85.02907	100.0
91.03947	1.7
97.02894	40.1
98.97581	6.4
99.04453	9.8
101.02382	5.4
101.84137	1.8
109.02879	7.3
111.80536	1.5
115.03946	3.9
127.03915	73.7
137.06024	2.1
144.02103	2.0
145.04965	62.6
147.15718	1.6
147.73956	1.6
152.07071	2.0
153.01825	3.4
156.03363	4.9
158.99649	3.3
159.34299	1.8
161.02977	2.1
161.04625	4.1
163.06013	20.5
168.03326	4.5
174.04507	1.9
180.06512	1.9
180.08684	3.8
180.10193	2.1
186.04372	12.0
187.19171	1.7
195.94051	1.6
198.07732	3.2
204.05438	5.2
211.44722	1.6
212.07651	2.2
219.01741	2.4
227.06956	1.8
227.56848	2.2
231.02852	3.0
249.03999	6.8
257.80820	1.7
279.09793	2.5
297.11240	3.3
356.74033	1.8
360.12866	2.6
360.16644	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56087	6.2
55.05516	33.4
59.04961	5.3
59.42955	5.4
61.02908	6.5
67.05502	65.8
67.54538	5.0
69.03433	12.0
69.07069	35.5
71.04990	100.0
71.53661	8.7
72.30339	6.0
73.02896	5.8
79.05487	65.7
81.07067	52.0
83.08604	26.4
85.02901	14.0
87.08103	10.7
91.05468	27.9
93.07039	71.3
95.04964	5.8
95.08617	35.3
97.06512	12.2
97.10155	30.7
105.07008	20.0
107.08554	38.1
108.71735	5.4
109.10151	53.6
119.08563	17.3
119.44587	5.6
121.10139	63.7
123.11666	6.2
125.09642	26.7
127.03902	7.8
131.08545	11.6
133.10153	16.0
135.11700	13.7
137.05952	10.8
142.85046	6.2
145.04965	12.0
145.10138	9.1
147.11681	11.0
153.12749	43.2
155.10693	17.1
159.11693	9.3
173.11746	90.4
189.11249	28.4
190.14319	7.3
192.11021	7.6
195.13799	10.7
213.89815	5.7
227.16415	41.4
257.19159	6.6
275.20032	62.4
307.22592	9.6
360.31253	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	41.3
57.03423	7.7
57.07076	7.0
59.04995	7.7
61.02911	8.2
67.05513	33.2
69.03426	10.1
69.07063	15.4
69.35613	42.3
71.04997	8.6
76.64677	5.2
79.05485	20.8
81.03385	4.9
81.07062	81.1
83.08616	45.9
85.02911	12.3
88.07624	8.6
91.05483	11.9
93.07047	15.3
95.08611	44.4
97.02847	7.7
97.10187	57.2
98.21462	10.9
100.58527	4.7
105.07059	11.3
107.08619	25.6
109.10200	13.2
119.08570	7.5
121.10124	6.9
123.11707	32.7
125.09626	44.0
133.10129	8.3
137.13277	27.2
139.11137	5.9
153.09114	13.5
155.14342	13.9
165.12807	5.9
169.12259	7.8
170.53677	4.9
171.10095	6.4
181.12367	5.9
187.13278	47.2
189.11212	50.9
201.14845	29.1
267.08972	15.7
279.23160	33.9
285.10141	16.8
289.21808	9.6
298.31113	19.8
307.22540	28.8
311.75034	5.9
325.23703	100.0
360.34653	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05513	0.8
56.96553	0.9
57.03436	0.6
57.07072	0.7
61.02918	0.8
61.57191	0.6
67.05488	1.8
69.03428	3.2
69.07064	1.3
70.06558	0.6
70.87538	0.7
70.87868	1.1
71.04979	0.9
72.32115	0.5
73.02895	0.8
79.05490	2.0
81.03415	1.6
81.07042	2.0
83.04974	2.5
85.02898	6.1
91.05466	1.2
93.07027	1.6
95.04939	1.7
95.08595	2.0
97.02891	2.4
97.06539	9.0
98.03280	0.6
98.97575	2.2
99.04453	1.3
103.05484	0.8
105.07034	1.1
107.04958	3.8
107.08586	1.6
109.02867	0.7
109.06500	0.9
109.10127	0.7
115.07578	4.2
116.07107	0.7
119.08641	0.8
121.06489	2.2
121.10167	1.4
122.06015	0.6
123.04430	2.4
123.08067	4.1
125.06013	1.4
127.03918	2.5
129.01823	0.6
133.02881	1.0
135.04376	1.0
135.08026	1.2
135.11670	1.7
137.05963	2.9
137.09659	1.2
139.03934	0.9
143.07024	2.8
145.04971	1.6
145.10103	1.0
147.04413	0.8
149.05959	1.5
151.03885	1.4
151.11221	1.1
151.72435	0.6
153.01895	0.9
154.89767	0.7
161.05995	1.7
163.07552	1.9
163.11180	11.8
165.05460	1.7
165.09125	0.7
167.07036	2.2
181.04965	1.3
181.08690	1.6
181.10609	1.5
181.12225	15.2
191.07057	0.7
199.11604	1.3
199.13298	8.4
209.10049	0.8
237.02701	0.9
303.10510	2.3
343.12991	0.7
361.14590	100.0
361.18399	14.5
362.15005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.23638	0.4
53.03951	1.3
61.02918	1.0
64.18638	0.5
67.05523	1.3
69.03411	1.7
69.93143	2.5
74.94914	0.5
77.03888	0.8
79.05495	7.7
81.03427	0.9
81.07050	2.3
85.02909	4.0
88.71186	0.5
91.05488	4.9
93.07048	14.4
95.04950	1.9
95.08626	0.6
97.02895	1.5
97.06520	1.6
103.05453	0.9
107.04966	0.8
111.04430	0.6
111.08091	1.6
121.06512	18.2
123.04422	1.0
123.08070	7.1
127.03919	1.1
137.05988	1.1
139.07536	15.3
148.00394	0.6
149.05992	8.5
165.09135	0.7
167.07051	100.0
168.07457	1.4
177.32692	0.6
185.08064	2.3
199.09660	31.1
214.87082	0.5
241.11137	0.5
361.14694	3.6
361.18546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
67.05501	6.8
70.10256	14.9
75.27814	3.3
79.05490	13.8
81.07040	6.4
89.47783	3.1
89.83572	3.8
91.05483	32.0
92.17944	3.6
93.07030	9.2
95.04948	6.5
103.05468	12.4
105.07036	10.3
107.04978	25.2
109.06542	5.9
109.10170	5.0
115.05454	8.9
119.04964	15.3
119.08595	4.6
120.23171	3.7
121.06512	15.7
121.10186	4.6
122.03629	11.2
123.08047	4.8
125.06015	3.9
128.06296	6.0
129.07019	11.7
131.04941	10.0
131.08572	4.1
133.06491	5.7
135.04396	5.1
135.08044	11.4
137.05984	100.0
145.06485	6.5
146.07332	4.3
147.04437	9.5
148.05222	7.4
149.06064	7.2
151.07549	94.1
152.06227	3.9
157.06519	11.0
161.05986	97.9
161.09630	20.8
163.07579	33.7
165.07141	4.1
167.07080	20.0
167.08473	7.8
174.06743	9.6
175.07527	11.8
177.09041	7.2
178.07921	4.0
179.07092	5.4
179.08623	3.5
179.10579	5.1
180.07849	4.8
181.08606	23.8
189.09116	71.4
195.08067	15.3
199.13260	4.2
207.10155	64.2
210.06717	4.4
223.07538	6.7
225.09160	9.1
226.30849	3.8
227.10751	16.6
253.08621	9.5
253.12286	8.4
255.10158	17.1
267.10052	4.7
281.11603	5.5
285.11118	19.5
287.12744	44.8
299.12848	6.7
313.14166	20.3
317.13959	7.5
331.15427	21.0
343.15543	4.8
361.06873	4.1
361.13522	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	361.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01869	2.8
56.00885	1.3
59.86642	1.3
71.53374	2.2
75.43228	1.3
77.03950	2.2
79.05499	11.7
80.64378	1.2
81.07064	3.7
85.06538	1.5
90.90315	1.2
91.04969	2.2
91.05494	22.4
92.05811	1.4
93.07043	11.2
95.04969	7.2
103.05496	14.3
105.07031	13.1
106.04205	2.6
107.04967	35.0
107.08595	1.8
109.06521	2.0
113.07232	1.4
115.05476	1.9
117.07034	5.6
118.04146	2.5
119.04947	8.0
119.08598	2.8
120.05774	2.7
121.02866	1.5
121.06528	16.7
122.03642	1.5
123.04449	7.5
124.05226	5.5
125.06010	2.0
127.03932	1.7
128.06253	6.4
129.07021	26.5
131.04936	9.9
131.08588	10.0
133.02878	1.6
133.06511	5.2
135.04425	2.6
135.08087	8.5
136.05252	1.8
137.05997	20.2
138.03133	1.5
138.06784	2.0
143.08585	1.4
144.05756	1.8
145.06503	5.9
146.07278	4.2
147.04431	3.9
147.08040	2.8
148.05159	3.9
149.06029	8.6
150.06754	1.6
151.03943	3.8
151.07559	19.6
152.04662	5.2
152.05956	1.6
153.05504	10.5
153.06703	2.0
155.06009	1.8
155.07133	1.6
157.06506	22.6
158.07297	3.4
159.08034	2.0
161.05994	38.2
161.09645	10.6
163.07573	21.9
163.14832	3.1
165.06987	7.9
165.09167	8.8
166.06300	7.7
167.07080	66.5
167.08546	6.0
169.10094	1.4
171.08141	1.5
174.06790	12.0
175.07581	8.7
177.05550	1.7
177.07016	2.3
177.09131	10.6
178.07823	3.2
179.07104	4.6
179.08623	5.5
179.10663	1.7
180.07884	1.4
181.06799	3.4
181.08614	100.0
182.07324	10.4
183.08038	1.8
187.07579	1.9
189.09125	78.7
190.07770	2.6
190.09831	1.4
191.07016	1.9
191.08630	3.2
191.10561	2.3
193.06522	4.5
193.08533	2.9
194.07312	5.4
195.08073	12.4
197.05980	2.8
197.09627	9.3
199.17128	1.4
207.08141	4.5
207.10211	19.0
208.05142	2.3
208.08890	4.4
209.06134	1.8
209.09572	2.7
210.06792	7.2
211.07617	4.7
212.08400	3.2
213.09045	1.8
218.07391	1.7
219.08121	5.6
219.10106	1.8
221.06041	4.7
221.09634	2.0
222.06802	3.8
223.07567	7.8
223.11180	5.2
224.08315	1.7
225.05574	2.3
225.09126	17.1
227.07063	7.8
227.10747	2.0
229.12270	3.4
233.09599	2.2
235.07439	3.6
236.08406	5.0
237.09145	4.0
239.07062	6.3
239.10732	1.7
240.07808	3.5
241.08647	3.5
242.09459	2.4
247.07651	2.4
251.06998	4.1
251.10764	4.1
252.07921	2.1
253.08600	12.5
254.09450	1.7
255.06511	4.5
255.10225	4.5
256.10947	1.6
257.11697	15.4
265.08545	2.8
267.10272	4.2
268.07346	3.7
269.08234	2.8
270.08905	3.7
271.13406	2.1
279.10217	6.0
281.08069	2.5
283.09686	8.5
283.13391	6.7
285.08020	1.7
285.11237	39.4
289.14377	1.7
295.09930	1.6
296.10516	3.2
297.11237	5.4
299.09512	3.0
299.12787	6.4
300.09821	1.6
302.11526	5.8
310.78433	1.3
311.12845	8.3
315.12289	17.0
317.13879	29.6
329.13965	4.5
331.15405	4.5
343.15442	13.8
361.16476	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
55.01869	2.1
55.05508	2.5
57.03422	1.5
65.03912	3.3
67.05494	3.9
68.84745	1.6
69.03427	3.3
69.07069	4.7
69.89755	8.6
71.04985	2.1
71.37109	1.5
71.43363	1.6
77.03913	1.7
78.04692	2.1
79.05481	14.7
81.07057	9.9
83.04977	2.0
85.06528	3.8
85.10760	1.6
91.05482	27.7
93.07041	13.4
95.04951	4.8
95.08596	6.4
97.06527	2.2
103.05467	16.2
105.03358	2.5
105.04520	2.0
105.07031	15.8
106.04178	2.3
107.04952	41.9
107.08565	4.4
109.06536	3.4
109.10158	3.1
111.04470	2.6
111.08089	1.8
115.05475	4.4
117.07016	6.9
119.04951	6.1
119.08511	4.1
120.05748	3.9
121.06500	17.9
121.10135	2.9
121.87881	1.6
123.04399	5.9
123.08056	1.6
123.11698	3.0
124.05190	4.6
125.05981	3.6
128.06215	8.3
129.07005	23.6
131.04938	14.7
131.08577	11.4
133.02829	3.7
133.06464	6.7
134.03647	1.5
135.04427	2.3
135.08035	8.0
135.11624	2.3
137.05977	26.9
138.06744	1.7
143.04915	1.9
145.06476	4.4
146.03638	2.8
146.07307	2.5
147.04407	4.7
147.08060	3.9
147.11678	2.0
148.05170	4.5
149.05937	7.9
149.13315	2.0
151.03891	2.8
151.07542	20.2
152.04675	3.1
152.06277	2.7
153.05478	12.1
155.07016	3.6
157.06500	20.2
158.07268	2.1
159.08008	3.0
160.05205	2.1
161.05983	43.4
161.09601	10.0
163.03842	3.3
163.07538	31.6
163.14766	2.1
165.05470	7.9
165.07007	9.2
165.09135	7.7
166.06264	10.3
166.07625	2.6
167.07054	62.6
167.08530	4.8
173.05942	2.1
174.06776	10.2
175.07501	6.7
177.05510	2.0
177.09077	7.5
178.07672	3.0
179.07037	8.5
179.08568	4.6
179.10704	1.8
180.07817	10.9
181.05124	3.0
181.06645	3.9
181.08595	100.0
182.07240	6.2
187.07515	2.8
189.09105	80.2
190.07819	2.3
191.08534	4.3
191.10577	2.2
193.06612	2.5
193.08624	4.8
194.07184	2.7
195.08049	10.4
197.05969	3.7
197.09671	10.2
199.07315	1.9
203.10532	2.3
207.08208	2.7
207.10132	20.3
208.08797	5.3
209.05811	2.0
210.06802	3.9
211.07581	5.1
211.16980	2.4
218.07210	1.6
219.08023	5.6
221.05939	3.9
221.09586	1.7
222.06758	3.7
223.07532	7.2
223.11159	4.9
224.03851	2.1
224.08328	3.2
225.05540	2.0
225.09079	14.5
227.07001	7.5
227.10777	1.7
229.12137	2.5
233.09532	1.9
235.07507	4.6
236.08354	3.1
237.05333	1.8
237.09135	3.3
239.07019	2.6
239.10728	3.3
240.07724	4.7
241.08553	3.9
242.09314	2.6
247.07478	2.4
251.06902	4.5
251.10664	7.9
253.08604	14.0
254.09341	2.4
255.06413	2.0
255.10123	6.4
257.07877	1.8
257.11737	17.3
265.08578	2.0
267.06631	1.7
267.10190	3.3
269.08179	2.9
270.08881	4.3
271.13284	3.3
279.10162	4.4
281.07959	2.2
283.10126	13.4
283.13278	12.1
285.07874	2.1
285.11142	28.7
296.10364	2.1
297.11325	3.2
299.09256	2.1
299.12704	4.6
311.12805	5.9
315.12195	18.4
317.13794	27.1
329.13779	5.1
331.15314	4.9
343.15302	13.8
357.37796	2.0
361.16486	15.8
362.06946	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01865	3.4
64.47723	1.8
67.05493	2.1
69.03426	2.5
69.07051	2.1
69.20574	5.1
69.20983	13.3
71.04967	2.6
78.04710	3.0
79.05500	17.0
81.03398	2.3
81.07040	3.8
85.02905	2.8
91.04962	3.4
91.05482	32.3
93.07041	12.7
95.04955	8.5
95.08618	2.6
97.06525	2.4
103.05481	17.7
105.03372	2.4
105.07046	16.5
107.04225	2.5
107.04958	51.2
107.08614	2.6
109.06490	2.2
111.04427	2.7
115.05446	7.8
117.07025	7.2
119.04942	10.4
119.08593	2.3
120.05744	3.9
121.06504	22.7
122.03672	2.9
123.04420	13.6
123.08072	3.5
124.05211	5.2
125.05978	4.1
128.06242	10.8
129.07022	27.7
131.04935	13.2
131.08609	12.2
133.02821	2.9
133.06506	6.3
135.08057	14.2
136.05212	2.9
137.05983	37.0
140.04634	2.0
145.06470	5.8
146.03632	3.4
146.07233	3.9
147.04413	8.2
147.08058	3.5
148.05196	6.4
149.05991	9.0
151.03883	6.5
151.07555	22.7
152.04666	6.0
153.05472	13.8
153.06818	2.5
155.07120	2.4
157.06483	22.3
159.07965	1.8
161.05995	51.9
161.09587	15.6
163.03938	4.0
163.07555	51.5
165.05455	8.0
165.06978	7.4
165.09167	10.9
166.06331	8.9
166.07600	2.9
167.07063	71.7
167.08536	6.5
168.05666	1.9
171.08049	3.2
174.06760	13.9
175.07529	9.0
177.06944	2.7
177.09128	12.0
178.07655	2.2
179.06990	7.7
179.08540	4.7
179.10730	2.9
180.07843	11.8
181.08604	100.0
182.07259	6.3
189.09106	88.8
190.07863	1.9
191.07065	3.0
191.08638	2.8
191.10602	2.6
193.06493	6.3
193.08501	2.1
193.26111	1.9
194.07259	5.5
195.08046	12.6
195.09880	2.8
197.05881	2.9
197.09663	11.4
199.13159	2.0
205.08495	2.1
207.08034	7.6
207.10155	25.7
208.08743	2.8
209.06076	3.6
209.09734	5.6
210.06778	5.3
211.07590	4.5
212.08324	3.4
213.09071	2.0
219.08031	5.4
221.06001	5.4
222.06688	3.1
223.07536	8.3
223.11159	3.7
224.08273	3.3
225.05533	4.5
225.09087	20.8
227.06992	6.0
235.07498	4.0
236.08305	4.8
237.09001	4.4
239.06998	4.9
239.10628	3.2
240.07869	4.7
241.08545	4.4
247.07555	3.7
251.07104	4.4
251.10695	7.1
253.08618	12.4
255.06462	3.9
255.10130	3.6
257.08090	3.3
257.11752	16.2
265.08685	3.2
267.10098	3.6
268.07074	1.9
269.11685	4.2
270.08820	4.1
279.10117	4.5
283.09644	14.3
283.13260	9.3
285.11203	36.1
287.12744	2.1
297.11218	5.7
299.09268	3.2
299.12741	5.4
302.11407	4.1
311.12802	8.5
315.12244	21.3
317.13916	22.1
329.13785	2.8
331.15448	5.8
343.15485	17.1
361.16629	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	361.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05500	1.3
56.96562	0.9
57.03435	0.9
57.07063	0.7
57.67397	0.5
59.05006	0.4
61.02929	0.9
67.05487	1.4
69.03434	4.0
69.07064	2.3
70.06598	0.6
70.82696	0.4
70.92051	0.3
71.04982	1.4
71.53055	0.5
73.02911	1.0
79.05495	1.8
80.72146	0.4
81.03407	1.4
81.07054	1.6
83.04992	3.5
85.02915	6.0
85.06532	0.5
86.09686	1.5
87.10064	0.4
91.05463	1.3
93.07060	2.0
95.04965	1.4
95.08608	2.3
97.02901	2.7
97.06546	13.3
98.97595	1.8
99.04485	0.7
99.08102	0.9
105.07034	2.3
107.04947	1.9
107.08582	1.3
109.02841	0.9
109.10172	1.0
110.97591	0.5
111.04441	0.5
113.05987	1.0
115.07582	6.9
117.07018	0.9
119.08586	1.3
121.06521	2.2
121.10126	2.2
123.04405	1.4
123.08084	7.1
124.61880	0.4
125.06001	2.4
125.09673	0.5
127.03950	2.3
128.04243	0.5
133.02882	0.6
133.06548	0.8
135.08067	1.5
135.11707	2.6
137.06001	2.0
137.09641	2.6
139.11188	1.7
143.00131	0.4
143.07040	3.8
145.04959	1.5
145.10126	1.7
149.06023	1.4
151.03891	0.7
151.11215	1.2
152.10727	0.6
161.05945	0.6
161.09727	0.5
163.07579	0.9
163.11198	17.6
165.05467	0.8
167.07086	2.0
175.07494	0.8
177.00697	0.5
180.10242	0.8
181.04921	0.7
181.08664	0.8
181.10622	1.1
181.12241	21.4
182.12555	0.6
189.09096	0.4
198.11276	1.0
199.09621	0.6
199.11549	1.9
199.13297	12.1
205.12230	0.5
219.01831	0.4
235.07542	0.4
279.07352	0.5
297.07541	0.5
299.09256	0.5
303.10522	1.6
322.67383	0.4
361.14664	100.0
361.18332	7.1
362.15106	1.3
363.34171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.01857	2.3
55.05513	18.9
57.03431	2.7
57.07070	10.9
59.04989	3.6
67.05509	26.1
69.03434	4.2
69.07075	47.7
71.04575	5.7
71.04995	6.9
71.08654	3.3
79.05502	19.1
81.03424	2.9
81.06584	4.8
81.07066	100.0
83.04974	7.3
83.08633	16.4
85.02919	2.8
85.06544	10.7
87.04440	2.6
91.05477	24.6
93.07053	52.7
93.90511	2.7
95.04977	11.3
95.08619	58.9
97.06519	11.7
97.10188	6.2
99.08159	3.4
103.05482	5.2
103.54025	2.3
105.04472	2.6
105.07047	20.5
107.04980	15.2
107.08604	31.0
109.06531	4.5
109.10175	40.8
111.08091	12.6
111.11713	10.3
115.05489	3.1
117.07030	3.2
119.04972	4.2
119.08587	10.3
121.06505	6.7
121.10148	28.0
123.04408	2.7
123.08089	2.5
123.11710	36.0
124.05227	2.7
127.03875	2.5
127.11215	4.1
128.06253	2.9
129.07022	10.0
131.04887	3.7
131.08556	8.7
133.06448	2.5
133.10152	9.1
135.08046	5.9
135.11697	19.3
137.05995	10.4
137.09599	3.1
137.13287	15.2
139.11188	7.8
145.06493	3.4
145.10153	6.5
146.07257	3.5
147.04404	3.4
147.11690	11.4
149.06061	2.9
149.13281	14.4
151.03896	2.7
151.07539	9.1
151.11226	2.8
153.05470	6.6
153.12762	8.5
157.06519	6.9
159.11729	5.0
161.05980	17.8
161.09653	7.4
161.13255	5.0
163.07576	8.8
163.11247	3.6
163.14847	6.8
165.06976	3.9
165.09099	4.8
165.12759	4.9
166.06314	3.3
167.07080	33.9
167.08470	3.8
171.25125	2.2
174.06796	3.0
175.07527	3.5
175.14745	3.1
177.09079	2.9
179.06967	4.2
179.08455	2.9
181.06419	3.7
181.06961	3.9
181.08617	42.0
181.12251	3.9
182.07336	3.6
182.77182	2.7
183.08162	3.1
187.14804	2.6
189.09114	28.5
193.06570	2.6
195.08047	4.5
197.09645	4.1
207.10204	7.3
209.18921	2.9
211.07498	2.6
222.06812	2.5
223.07545	5.5
223.11345	2.9
225.09152	6.0
227.06804	3.6
229.12138	2.7
237.09042	2.5
253.08624	8.2
255.10081	3.8
257.11700	7.4
267.09915	2.5
269.07925	3.1
271.24454	3.3
279.09872	3.0
283.09842	3.3
283.13153	3.6
285.11279	13.0
289.25259	9.3
295.26346	9.2
307.26309	14.3
311.13007	2.9
315.12097	9.2
317.13928	12.3
343.15466	5.9
352.96527	2.4
361.16275	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60146	1.8
55.05498	6.6
55.85844	1.6
57.07066	2.7
67.05508	20.1
69.07064	17.6
69.38471	12.4
71.04999	16.1
79.05480	11.9
81.07056	31.6
83.08617	4.9
84.88956	1.7
85.06547	3.1
91.05492	9.4
93.07039	34.1
95.08048	2.7
95.08604	29.8
97.06519	2.2
97.10182	2.3
99.08077	3.1
105.07027	16.4
107.08594	33.9
108.94427	1.7
109.10155	48.1
111.11733	2.4
119.08586	14.6
121.09322	2.6
121.10147	34.4
123.11699	24.3
125.09602	3.2
127.11195	21.7
129.01801	5.1
131.08575	2.1
133.10117	11.2
135.11684	20.9
136.45978	1.6
137.13234	2.3
145.10109	7.2
147.11688	27.6
149.13252	100.0
151.14902	1.8
153.12720	5.9
157.12103	1.9
159.11702	2.2
161.13257	8.0
163.14801	5.4
173.13268	3.8
175.14847	10.5
177.16367	19.2
185.08276	1.8
187.14735	3.2
189.16383	3.2
191.17917	4.7
195.17442	24.6
199.14697	2.8
200.52718	1.7
203.17952	17.5
209.18985	3.2
213.16435	2.4
213.18546	3.2
217.19560	1.8
257.22601	6.1
325.28897	5.8
343.29950	25.3
361.30850	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	362.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98498	0.4
53.03943	1.1
54.21276	0.4
57.03430	1.2
61.02927	1.5
67.05516	0.8
69.03430	5.0
69.07065	1.2
70.02917	0.4
70.91959	0.9
71.05012	0.6
73.02916	0.9
74.09721	0.6
80.05002	0.5
81.03423	1.9
81.07063	0.4
84.08113	0.4
85.02431	0.7
85.02914	10.0
87.04482	0.9
91.03952	0.6
91.05473	1.6
93.07059	1.1
94.06581	3.3
95.04961	0.8
96.04522	0.6
96.36340	0.4
97.02904	4.0
97.06503	0.4
98.97562	0.6
99.04456	0.5
107.05032	0.5
108.04493	0.4
108.08134	5.7
109.02875	1.7
109.06550	0.6
110.06060	2.6
112.07633	1.0
120.08080	0.6
122.06050	17.1
123.04445	1.0
127.03951	2.2
136.07591	16.1
137.05974	0.5
138.09160	0.8
139.07544	1.3
140.07085	20.6
145.04953	1.7
154.08647	13.9
154.09592	0.3
156.06622	0.5
158.99687	0.7
164.07083	3.9
165.05484	0.8
167.68439	0.4
182.08150	19.8
200.09206	100.0
201.09560	1.2
345.02417	1.2
362.14484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.3
55.01868	4.2
57.03439	8.8
61.02928	5.4
64.79297	1.6
68.99776	2.2
69.03432	55.6
71.01355	16.5
71.04996	10.6
73.02918	8.0
79.05484	2.9
81.03418	100.0
81.07070	1.8
83.01299	1.8
83.04974	4.3
85.02906	68.0
95.01337	15.6
95.04984	5.1
97.02896	61.3
99.00838	3.5
99.04456	18.1
101.02382	2.7
103.03942	5.3
107.04955	3.3
109.02881	48.3
111.04438	10.2
113.02399	12.2
118.97063	1.5
123.00765	2.8
123.04417	4.0
124.56007	2.0
125.02347	3.3
127.03919	46.7
127.04822	3.4
131.03395	2.5
135.04401	3.9
137.02345	7.0
139.03879	3.1
141.01830	31.3
145.04982	6.2
159.02905	9.9
163.03862	3.4
169.04968	1.7
175.03957	2.1
177.03886	2.1
179.03365	2.1
181.04956	26.6
187.06013	37.1
190.69110	1.7
193.05017	4.4
211.05876	2.8
363.09225	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	363.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74933	1.2
53.03951	9.9
55.01882	3.1
55.05511	3.5
57.03441	7.1
58.17126	1.3
61.02930	6.3
61.15887	1.5
65.03942	1.9
67.05514	2.5
67.37078	1.5
68.99806	1.5
69.03437	50.8
71.01362	15.3
71.04999	7.6
71.54181	1.6
73.02936	10.7
79.05498	3.9
81.03427	100.0
81.07052	3.5
81.12241	1.3
83.01357	2.9
83.04985	5.2
84.04514	2.5
85.02917	64.6
91.05492	4.0
91.82965	1.4
93.07028	3.0
95.01345	15.6
95.04974	4.6
95.08591	2.0
97.02900	61.9
97.06551	1.5
98.97585	2.8
99.00801	2.3
99.04477	18.8
101.02393	3.6
103.03951	7.1
103.16300	1.3
105.07057	3.5
107.04982	3.1
107.08617	1.9
109.02895	40.5
109.10133	1.4
111.04478	8.6
113.02375	10.7
117.15307	1.3
119.04996	1.5
121.02841	1.9
121.10145	1.8
123.00844	2.0
123.04472	4.2
125.02383	3.9
127.03931	49.0
131.03404	3.7
133.10139	2.6
135.04451	2.0
137.02376	9.9
137.05978	1.7
139.03893	3.2
141.01846	40.5
143.03386	1.4
145.04974	11.4
145.05959	1.3
145.06476	1.4
151.03886	1.8
153.05482	1.7
159.02913	9.5
165.05449	1.8
167.07072	10.9
169.01385	2.3
169.04997	3.0
175.03952	2.0
177.69907	1.7
181.04956	23.3
183.11617	1.6
187.06029	35.1
193.05052	3.6
201.04085	1.7
205.03545	2.4
205.07166	3.4
209.04620	1.5
215.05501	1.8
229.07196	3.4
245.06491	1.8
267.04938	1.7
285.06149	1.6
318.11081	1.8
363.09155	25.7
363.18228	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	2.7
67.05467	1.2
69.07076	1.0
69.80132	2.4
71.08633	1.4
75.73657	0.8
79.05502	1.4
81.07038	1.4
85.10182	2.1
89.06012	3.6
93.07051	0.8
95.08611	1.7
105.07027	0.8
119.08620	1.0
123.11732	0.7
133.08603	1.6
133.10173	1.1
139.74840	0.8
142.53773	0.7
195.12204	2.4
197.03334	0.8
206.30656	0.7
233.37407	0.8
316.76099	0.7
363.25058	100.0
364.25665	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	363.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01849	5.0
55.05510	21.8
56.96564	11.5
57.03443	4.5
57.07064	9.8
59.05008	4.5
59.81947	3.1
67.05190	3.5
67.05506	25.1
69.03417	11.4
69.07069	44.9
70.83636	7.5
71.05003	4.0
71.08636	6.5
73.02914	6.1
79.05498	16.2
81.03415	4.2
81.07063	100.0
83.04967	4.2
83.08610	18.3
85.02906	25.0
85.06554	16.9
91.05473	11.5
93.07045	35.8
95.04954	10.3
95.08616	65.0
97.02907	8.8
97.06527	11.6
97.10151	7.7
98.97584	11.1
99.08092	10.7
105.07055	24.4
107.04955	7.1
107.08575	34.7
107.91567	4.1
109.02896	9.5
109.06508	4.9
109.10159	41.6
111.08070	13.6
111.11716	8.3
113.93536	3.4
119.08558	11.2
121.02871	16.3
121.06442	3.3
121.10139	24.0
123.04442	7.9
123.08044	6.9
123.11737	32.8
125.09588	3.9
125.13232	4.5
127.03906	9.4
127.11092	3.1
128.06296	4.1
128.49901	3.7
133.10158	9.7
135.07957	3.3
135.11693	19.6
137.05983	6.5
137.09708	4.2
137.13228	25.8
139.11125	7.2
143.08519	5.8
145.10115	10.6
147.11699	10.2
149.13297	18.4
151.07523	4.4
153.12769	15.8
155.14281	7.7
159.11720	5.0
163.14902	6.6
165.12758	11.8
167.07033	80.5
171.11781	6.0
173.13303	5.6
177.16405	8.3
187.07632	4.5
191.17860	3.6
201.14861	4.6
201.93784	3.4
217.19641	4.2
237.02724	5.7
273.25775	7.3
282.15784	5.2
291.26816	22.0
297.28110	6.1
309.27988	18.9
338.66864	13.7
339.17157	4.6
344.66858	5.1
362.67993	21.3
363.18051	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	365.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49218	0.1
51.49456	0.1
58.26068	0.1
65.46471	0.1
70.27352	0.4
70.27695	0.1
75.38097	0.1
100.02294	0.1
101.00890	0.3
113.22913	0.1
119.01952	0.1
136.26260	0.1
143.01901	0.2
157.03430	0.1
161.02930	0.2
167.01859	0.2
173.02983	0.4
180.60944	0.1
185.04237	17.5
203.05286	42.2
224.04474	0.1
245.02721	0.1
245.04965	0.6
263.06171	0.2
275.06128	0.2
357.95581	0.1
365.10568	100.0
366.11047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26146	0.5
70.67681	1.0
70.68037	1.1
90.74132	0.5
100.48403	0.5
101.00861	0.6
104.70517	0.5
132.20146	0.5
143.01874	0.8
185.04237	17.3
203.05280	37.2
204.97147	0.6
245.05122	2.1
256.75027	0.5
365.10574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01876	0.9
56.96570	3.7
57.03444	0.9
61.02917	2.0
69.03426	2.6
69.64279	1.6
69.64680	3.5
73.02920	1.4
81.03415	1.7
81.10130	0.8
82.99829	1.2
83.04951	0.8
84.96068	0.9
85.02910	5.2
85.06539	1.9
89.79873	0.7
91.67205	0.9
97.02913	4.1
97.56242	0.7
98.97602	9.6
101.00896	6.7
110.97575	1.7
112.44401	0.7
113.00877	5.1
113.04563	1.3
115.02457	2.9
116.98670	1.7
117.03979	1.2
119.01942	4.9
127.02436	1.8
127.03947	1.6
128.98676	1.8
129.03943	1.1
131.00357	1.0
131.01941	6.9
131.05563	11.3
133.03493	3.6
137.00862	1.8
141.03990	1.0
143.00183	1.1
143.01907	5.9
143.05556	2.9
145.03500	4.4
145.04979	2.1
147.05022	1.2
149.06619	7.1
155.01909	9.5
155.05591	2.1
156.02730	1.2
157.03488	4.2
158.99684	2.4
159.05058	4.3
161.02998	4.6
161.06613	17.6
163.04549	0.8
167.05562	2.0
167.45430	0.8
169.03403	1.0
169.07153	1.2
170.95944	0.8
171.05092	2.0
173.02972	5.5
173.06622	10.6
175.04561	1.6
177.00739	1.3
177.06227	0.9
179.07703	2.4
181.07060	1.0
183.05042	1.3
185.02919	2.1
185.04300	3.7
185.06583	11.0
187.04495	1.2
187.06210	0.8
187.08217	2.5
189.06117	1.6
197.06622	6.6
199.08157	2.9
201.06128	1.2
203.03957	4.2
203.05418	6.8
203.07681	23.9
209.06619	3.9
215.07655	27.6
217.09189	3.6
221.05045	12.2
221.06955	0.8
227.07707	3.2
229.09212	1.7
230.98204	2.4
239.07748	7.2
245.05099	3.8
245.08795	2.9
246.05174	1.3
248.99225	4.1
253.04951	0.8
257.05316	1.0
257.08755	3.1
258.61530	0.7
259.06610	1.3
261.08258	1.6
262.06058	2.7
267.00348	1.2
269.08609	0.9
275.09946	4.5
277.03384	2.8
279.09225	4.4
287.09775	2.5
303.01318	3.9
304.01834	0.9
305.10846	100.0
306.10983	1.5
323.11945	13.5
365.10217	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	365.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
56.72843	0.9
56.96558	3.5
57.03414	1.9
61.02927	1.2
61.20255	0.9
64.12772	1.1
69.03419	1.7
69.07073	1.2
70.01214	4.3
70.06593	49.9
71.04988	1.1
72.08130	1.4
73.02905	1.2
81.03414	1.3
85.02913	6.6
86.85497	1.1
97.02882	3.6
98.97585	13.4
99.04414	1.5
100.88004	1.2
109.02867	2.0
110.97563	1.5
112.07606	59.2
116.07085	13.0
116.98625	6.4
127.03979	2.1
128.98584	1.4
140.07069	10.2
145.05060	1.6
153.01794	2.0
158.08131	100.0
158.99675	5.1
161.01190	1.3
168.06587	1.4
170.05756	2.0
177.00677	4.7
185.04257	7.6
203.05289	19.8
208.09688	4.4
216.89854	1.1
219.01723	2.8
237.02719	3.4
260.22003	1.1
305.08783	2.0
320.13324	2.4
323.10132	8.1
347.12421	2.3
365.10492	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	366.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20539	1.4
52.02977	1.7
53.03949	5.6
55.01871	7.8
55.05517	2.6
57.03434	3.5
61.02920	6.1
69.03438	37.3
69.91262	1.5
71.01347	2.3
71.04996	7.1
71.53333	2.0
71.53693	1.9
73.02922	6.9
81.03424	23.4
81.07068	3.0
83.08611	3.0
85.02912	100.0
87.00840	43.6
91.05470	2.3
97.02903	31.2
99.04465	13.0
104.28283	1.6
105.01875	73.2
108.04508	3.1
109.02887	28.5
111.04654	1.6
111.08086	2.3
116.03687	1.7
119.08595	2.0
127.03933	76.6
129.01868	3.8
138.10095	1.5
141.09090	2.1
145.04979	37.9
147.02916	3.3
151.07545	1.9
159.02890	13.7
189.04047	2.8
209.11716	4.3
213.03912	2.0
231.04982	22.9
242.78903	1.8
248.07616	2.5
249.06119	8.3
266.35242	1.7
289.03436	2.0
295.11667	4.9
313.12787	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32203	0.9
53.03941	1.3
53.48813	1.2
53.96455	1.0
55.01875	1.3
55.05527	2.4
57.03440	1.4
57.07078	1.5
59.05000	2.4
67.05505	12.3
69.03429	9.1
69.07068	21.9
71.04997	17.8
79.05488	2.0
81.03389	2.0
81.07052	14.6
83.04987	1.1
85.02904	9.5
85.06544	26.4
87.04481	1.8
91.05480	8.8
93.07043	13.0
95.04953	1.9
95.08601	2.8
97.02861	1.7
97.06533	1.1
99.04420	1.8
105.07030	9.6
107.08595	14.3
109.02849	1.7
109.06508	2.4
109.10161	47.5
110.10437	1.2
111.08092	10.5
113.06026	3.1
120.08107	2.0
121.10151	1.5
123.08067	1.2
123.11729	9.3
125.09630	17.3
127.03944	2.6
127.11156	1.3
130.06546	13.5
132.04451	2.2
133.10136	28.3
148.07607	3.8
151.11185	35.0
158.06029	4.6
169.12248	82.5
176.07072	16.5
187.13301	100.0
222.07599	3.4
259.77423	1.0
259.88510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72105	0.7
51.61293	0.9
53.03933	3.1
55.01872	1.2
55.05523	1.7
56.96568	1.6
57.03434	1.6
57.07069	0.8
57.58562	0.7
57.76283	0.8
59.05014	1.0
60.04526	1.0
61.02925	2.1
67.05506	3.3
69.03429	7.0
69.07079	1.8
69.76513	4.0
70.06590	1.6
71.04993	9.0
71.60287	0.8
73.02898	1.3
79.05493	13.5
81.03413	3.0
81.07058	100.0
83.04980	7.0
83.08618	2.8
85.02907	16.1
85.06557	1.0
86.09702	3.9
87.04447	2.2
91.05482	11.6
93.07038	16.9
95.04983	4.2
95.08596	3.7
97.02872	4.6
97.06514	1.4
98.97576	5.1
99.04427	3.9
99.08076	5.0
105.07032	5.4
107.08596	3.6
109.02892	2.1
109.06554	1.5
109.10137	4.9
111.08085	1.7
113.06017	1.0
116.98600	1.7
117.07063	0.8
119.04892	0.9
119.08593	2.7
120.08113	1.6
121.10136	1.7
122.02406	1.1
123.04408	1.0
123.08077	0.8
123.11681	5.8
127.02260	1.0
127.03927	6.7
130.06519	3.2
131.08549	1.2
132.95828	1.5
133.10136	8.6
135.11723	1.6
139.03932	2.2
141.09126	0.8
145.04950	7.1
146.98126	0.8
147.11621	0.8
149.76060	0.8
151.11195	5.9
158.99670	1.4
163.06088	1.9
166.04976	0.8
166.80458	0.8
169.08536	1.1
169.12241	9.4
175.14743	1.3
177.00720	1.3
183.04793	0.8
184.61279	0.8
187.09665	1.3
187.13379	3.7
187.98882	0.9
188.54924	0.8
196.06139	2.0
198.96867	2.6
204.06615	1.4
206.08847	0.8
215.09370	1.8
219.01823	1.1
225.11203	1.8
237.02869	0.9
243.12263	11.2
259.27820	0.8
263.08640	1.5
280.43182	0.9
340.07129	0.9
343.10455	1.1
348.12680	1.6
358.08002	2.8
366.10907	2.4
366.14456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05520	1.0
56.96566	2.5
57.03437	1.2
57.07083	4.5
58.06601	1.4
61.02923	1.6
65.03944	2.4
67.05498	2.2
69.03416	1.9
69.07044	0.8
69.33868	4.1
70.06598	12.6
70.20998	0.5
71.08634	2.6
73.02920	1.1
73.43917	0.5
79.05489	1.9
81.03424	2.3
81.07050	1.7
83.04976	1.0
85.02899	2.6
88.07637	17.6
91.03954	1.3
91.05497	1.7
93.07044	1.6
95.04960	1.2
95.08595	1.1
97.02885	2.4
97.06528	0.5
98.97593	1.3
99.04516	0.6
101.02370	0.6
102.09179	12.2
105.07047	2.4
107.08619	0.9
107.48078	0.6
109.10155	1.0
119.08574	1.4
121.02901	1.0
121.10126	0.7
127.03920	1.3
127.20358	0.5
131.08617	0.8
133.10130	1.0
136.12022	0.5
139.03816	0.8
147.11697	0.7
149.02354	74.0
149.03389	3.3
150.02724	0.6
157.10165	0.6
158.99574	0.7
193.04974	91.0
193.12221	1.5
194.05354	0.6
199.06473	0.6
200.20105	46.9
201.20563	1.0
203.05862	0.7
211.13354	1.7
229.14287	0.5
231.10823	0.6
241.07346	1.0
243.08908	1.3
249.08099	0.6
251.11433	0.7
259.08569	0.9
259.84149	0.6
267.09030	7.6
268.09479	0.8
269.12405	4.1
285.10101	12.6
285.16919	1.8
286.10461	1.2
303.11163	0.6
308.11554	1.2
348.15076	0.6
357.15549	1.1
366.22766	100.0
367.23123	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	367.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13609	0.5
54.21362	0.5
54.57032	0.5
55.01864	0.6
55.05312	0.5
55.05511	5.9
57.03442	4.1
58.06940	0.5
63.22598	0.5
65.03935	1.4
67.17924	0.5
68.20665	0.5
69.03430	1.5
71.04996	1.4
71.53983	0.9
74.50403	0.5
75.04448	1.0
79.05504	0.6
81.03405	1.3
81.07056	1.1
83.04981	27.1
85.02886	1.3
85.06535	1.7
91.05489	3.2
93.07028	0.7
95.04971	13.4
95.08596	0.9
97.02874	0.9
98.91357	0.6
99.04442	2.5
101.05976	0.8
103.05476	1.1
105.07015	4.2
107.04981	2.6
107.77986	0.5
111.04441	19.5
115.05423	1.7
117.05492	1.2
117.07018	6.7
119.04958	0.8
121.02868	8.4
121.06507	1.8
125.06019	0.9
128.06224	2.0
129.07004	1.4
131.04900	2.9
131.08539	1.0
133.06493	5.4
135.04417	0.7
135.08072	2.3
136.05191	2.2
137.05986	8.0
139.03894	0.9
143.08559	1.5
144.05760	0.7
145.06502	8.9
147.04431	1.3
147.08057	1.7
148.05206	0.7
149.05989	1.3
149.09581	1.2
150.06752	1.2
151.07542	100.0
152.07892	0.9
153.06949	1.3
155.08533	1.6
157.06499	0.9
159.08049	1.4
160.05186	1.2
161.05983	2.3
161.09697	0.7
162.06744	1.0
163.07536	5.7
165.05429	0.9
165.09140	4.1
169.10194	0.9
171.08060	3.1
173.06075	1.4
173.09538	0.8
174.06776	1.5
175.07562	8.7
177.09108	25.7
177.10680	1.2
179.07167	0.8
181.05038	0.9
181.06491	1.2
181.08618	1.1
183.08028	1.7
183.10280	0.6
185.05998	0.7
185.09695	0.9
187.07564	4.5
188.08267	0.9
189.05484	1.0
189.09103	7.9
191.07034	7.5
191.10703	0.7
193.08562	2.7
195.10207	2.4
197.09566	1.0
199.07561	2.0
201.09126	2.0
203.10674	5.2
205.08606	1.2
207.10229	1.5
209.08064	3.8
213.09152	1.6
215.10701	2.9
217.08611	3.3
219.10173	1.7
221.11688	6.1
225.09180	1.0
225.11182	9.3
229.08531	1.5
229.12288	1.1
231.10178	2.8
233.11722	1.9
235.09615	3.2
239.12755	1.3
243.10078	0.7
244.27255	0.6
247.09679	1.0
247.13347	0.7
251.12779	21.2
257.11765	2.3
265.07071	0.6
267.12262	2.6
269.13824	2.8
275.12793	4.4
278.15500	0.7
283.11740	2.3
293.13916	2.5
309.13278	1.1
331.15170	1.0
349.16470	9.2
367.17529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.05518	21.9
57.07067	10.8
60.43712	2.3
67.05509	39.1
69.03427	7.9
69.07063	28.8
70.08626	5.3
70.09016	5.8
71.04988	9.5
75.34035	2.6
79.05493	34.1
81.07054	52.5
83.04950	3.5
83.08612	11.3
85.06535	3.9
91.05481	51.7
93.07040	72.8
95.04972	28.6
95.08611	67.3
97.06538	10.6
97.10163	3.8
100.16155	2.4
103.05449	4.3
105.07035	84.4
107.04994	2.6
107.08592	64.3
109.06509	11.3
109.10158	48.9
111.08060	5.2
115.05434	3.5
117.07015	19.6
119.06040	2.7
119.08582	100.0
120.09444	2.3
121.06504	12.6
121.10149	53.7
123.08054	8.6
123.11710	14.4
125.05986	2.9
128.06195	12.8
129.07008	17.3
130.07793	9.7
131.08571	55.1
133.10138	63.4
135.08029	17.3
135.11687	21.1
137.09601	6.9
137.13301	2.7
141.07019	4.8
142.07761	17.0
143.08568	44.3
144.09357	11.1
145.10118	61.7
146.07259	5.5
147.08051	10.3
147.11700	21.7
149.09615	11.2
149.13258	5.4
153.07025	4.6
155.08577	13.3
156.09372	18.5
157.10132	49.8
158.10896	9.5
159.00650	2.6
159.08098	6.1
159.11687	40.9
161.09616	41.6
161.13283	8.6
163.11197	7.3
165.06955	3.6
167.08577	5.1
167.23422	2.5
168.09358	5.6
169.10107	22.4
170.10855	10.1
171.11676	22.0
172.12454	5.5
173.09642	7.2
173.13287	21.2
175.11191	8.7
175.14806	16.7
177.12759	3.6
179.08562	11.2
180.09352	3.8
181.10138	9.1
182.10870	5.7
183.11684	20.4
184.12474	4.3
185.09570	3.8
185.13246	18.7
187.11176	4.9
187.14865	15.0
189.12799	3.8
194.10909	7.9
195.11700	9.0
196.12512	5.1
197.09590	2.7
197.13242	17.5
198.13992	3.7
199.11118	4.0
199.14787	14.4
201.12761	7.8
201.16440	4.4
207.11732	7.1
209.13272	24.9
210.14134	3.3
211.14790	10.7
213.12660	4.3
213.16367	5.5
215.14246	3.2
217.15926	2.8
223.14911	5.0
224.15541	3.0
225.12775	3.1
225.16397	5.8
227.14261	26.0
235.14943	3.0
237.16487	5.5
239.17905	11.5
249.16292	2.9
251.17809	3.0
253.19524	4.4
255.17497	4.5
257.19046	4.4
265.19510	5.1
269.19016	4.3
293.18915	3.5
297.18359	3.0
349.25156	7.7
367.26227	12.2
367.30081	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	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01869	0.4
57.03434	0.5
61.02926	0.8
63.20745	0.2
68.99796	0.3
69.03436	1.8
70.05312	1.0
70.05664	0.3
73.02918	0.3
78.37135	0.2
81.03403	0.9
85.02902	5.8
85.74751	0.3
91.03940	0.3
97.02882	1.7
106.63980	0.2
109.02835	0.2
126.77177	0.2
127.03944	1.2
132.04449	5.4
145.05003	1.3
160.03900	1.2
178.04993	55.1
179.05313	0.6
188.03284	0.3
189.32974	0.2
206.04480	100.0
207.04852	1.5
225.66608	0.2
368.09583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93209	2.0
53.03943	4.6
55.01860	4.7
55.05511	3.4
56.96555	3.6
57.03429	7.0
58.05157	1.9
59.04994	7.0
59.70167	2.1
60.86626	1.9
61.02922	6.0
67.05512	3.1
69.03431	26.0
69.07056	2.4
69.40366	13.0
70.06565	2.8
71.04993	7.2
73.02921	5.8
79.05518	3.4
81.03429	13.0
81.07062	6.1
82.07386	1.9
83.04985	4.7
85.02911	52.4
85.06583	2.0
86.09711	3.8
87.04477	100.0
89.06007	2.4
91.03984	2.9
91.05499	3.9
93.07056	3.4
95.04948	3.6
95.08633	2.3
97.02900	53.9
98.20766	4.3
98.97590	8.5
99.04470	9.6
101.06020	2.5
103.05476	2.0
105.05515	74.0
105.07010	4.7
107.08601	4.9
109.02877	14.8
110.97615	2.1
111.08078	2.6
115.03958	4.6
116.01698	7.0
116.98638	1.9
121.06505	2.0
123.04405	4.6
124.07617	3.1
125.09614	2.8
127.03924	35.7
127.07555	8.8
135.08096	2.8
136.07561	2.1
137.06017	2.8
143.10695	6.4
145.04967	38.4
153.01877	4.7
153.09079	4.9
160.04254	7.2
160.07524	2.1
162.09148	3.3
167.07098	2.7
171.04720	2.4
171.10175	21.7
178.04948	4.5
189.07704	2.4
189.11205	3.4
190.08662	2.2
193.08574	2.4
194.25826	2.1
201.07661	3.3
206.04582	7.6
206.07968	14.9
206.94939	2.0
208.09726	6.3
219.08615	4.5
231.08647	16.9
232.35799	2.0
237.02878	2.9
249.09727	19.1
319.12881	3.0
324.11719	11.2
368.13034	14.5
368.17365	7.6
369.15283	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
55.01866	4.2
57.03436	6.3
59.05003	73.1
61.02910	4.1
67.05495	2.9
69.03435	37.3
69.07062	6.9
69.70253	2.1
69.73846	6.6
69.74257	4.9
71.04984	8.7
72.93816	2.5
73.02902	4.8
79.05486	2.6
81.03423	24.2
81.07041	8.4
83.04981	3.7
85.02909	72.8
85.06536	10.5
87.04472	95.0
88.79163	2.0
91.03954	4.6
91.05483	3.1
95.04981	3.7
97.02894	79.1
98.21452	4.8
98.97583	5.2
99.04464	13.4
99.08099	7.8
103.07603	3.2
105.05508	100.0
107.08549	3.4
109.02878	24.1
109.10105	2.2
111.08105	3.2
125.09599	3.2
127.03920	64.7
127.04810	4.5
129.09142	4.4
130.06529	2.5
135.07980	2.9
137.05927	2.5
140.11501	3.2
145.04974	71.4
153.09140	4.1
153.12770	2.6
160.07619	2.7
163.06010	5.2
167.06915	3.1
171.10208	15.7
178.04991	3.1
189.11217	4.9
206.04515	6.1
206.08096	4.2
206.12932	15.6
213.07635	4.1
224.94931	4.4
231.08647	44.7
249.09697	36.4
259.64661	2.3
265.30035	2.4
266.95819	2.9
315.14456	3.1
343.34979	2.5
368.13547	4.0
368.17657	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	369.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40800	3.9
55.01867	11.5
56.96563	13.3
57.03433	18.8
61.02936	21.3
69.03436	50.8
70.06603	6.3
71.05000	8.0
71.12208	3.8
71.22683	7.1
72.08168	5.6
73.02927	24.2
81.03436	20.0
81.66780	3.7
83.04984	6.3
85.02909	100.0
86.03232	4.3
86.09693	10.7
87.04461	7.1
91.03961	9.8
91.55489	5.0
97.02904	42.5
98.97567	23.1
99.04477	6.8
101.00901	34.6
101.02387	5.8
107.04903	5.5
109.02887	10.6
110.97565	6.7
113.00847	11.4
115.02469	4.5
116.98597	5.4
119.01926	44.4
121.01672	6.7
122.92945	4.0
127.02464	5.4
127.03929	37.6
128.98608	9.5
131.01923	27.3
131.96176	5.4
132.10231	5.2
133.03467	11.7
137.03033	5.7
137.06017	7.3
143.00143	5.9
143.01915	39.9
145.03438	23.6
145.04991	21.5
147.03210	4.3
151.30754	5.1
153.01834	14.8
154.02110	4.9
155.01889	10.2
157.03491	11.0
159.01271	3.9
161.02919	29.6
169.03363	7.1
170.99759	4.2
171.01393	12.7
173.02956	25.9
173.97173	4.9
176.04544	5.0
177.00845	7.2
177.02437	17.6
177.03983	5.2
183.05052	6.6
185.02933	11.1
186.03145	7.6
189.00877	5.8
189.02454	30.3
190.01343	5.6
192.05519	5.9
197.02991	4.8
197.04936	5.3
197.06670	12.9
197.56639	9.7
198.06580	8.1
201.00694	6.9
201.02417	12.9
202.80870	4.5
203.04028	10.8
207.03470	14.0
207.05170	7.0
207.08804	13.3
213.06056	4.3
219.01723	9.2
221.05057	13.5
223.01566	5.6
225.04413	4.8
231.03525	13.5
235.06430	4.3
237.02740	9.2
245.05113	9.0
249.04567	50.6
253.02637	6.2
255.03540	5.7
261.04547	16.9
263.06155	12.6
264.07813	5.8
267.03284	5.6
267.05975	5.7
275.05887	6.9
277.03433	6.5
288.10352	4.5
303.01331	18.6
303.05295	7.5
306.11029	7.2
309.08200	5.8
345.99710	4.9
351.08701	4.6
369.06894	4.8
369.11639	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	369.1335
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03954	0.7
55.01866	2.4
55.05513	2.8
56.96544	0.6
57.03433	0.8
57.07075	3.2
60.85094	0.6
65.03931	1.4
67.05509	2.3
68.99795	4.1
69.03420	3.5
69.07075	3.8
69.68928	2.5
71.04984	1.5
74.41149	0.6
79.05492	2.0
81.03421	1.9
81.07059	2.0
82.39461	0.6
83.04974	1.6
83.47540	0.5
85.02904	1.9
85.06535	3.1
91.05484	4.5
93.03391	0.7
93.07047	1.5
95.04969	2.3
95.08643	1.4
97.02878	1.3
97.06541	3.7
97.10168	0.7
98.20794	0.6
98.97611	1.2
99.04447	2.0
103.05473	2.6
105.07030	6.4
107.04947	1.5
107.08608	1.2
109.02897	1.3
109.10154	0.9
111.00805	2.5
111.04435	5.3
114.63052	0.6
115.05434	3.4
117.07018	2.0
119.04960	1.2
119.08591	2.8
121.02885	1.6
121.06451	0.8
121.10139	0.7
123.04430	13.2
123.08067	0.9
127.03905	2.0
128.06203	0.8
129.06981	1.9
131.04909	6.5
131.08569	1.3
133.06467	1.5
133.10135	4.2
135.04428	1.7
135.08119	0.6
137.02312	0.7
137.05966	3.3
137.09602	0.7
139.03902	100.0
140.04216	0.9
141.07013	1.3
142.07809	1.0
143.04921	5.1
143.08574	2.1
144.05710	0.9
145.06496	2.7
145.10127	2.7
146.03648	0.7
146.91031	0.6
147.04372	4.4
148.05196	1.0
149.02293	1.2
149.05984	9.4
149.09563	0.7
151.03896	3.8
151.07541	1.1
152.06230	0.7
153.01833	1.0
153.05443	0.8
154.07716	0.7
155.08583	1.7
157.06512	1.3
157.10071	1.7
158.07236	1.4
159.04434	1.3
159.08038	0.9
160.05190	3.0
161.04660	0.7
161.05986	14.0
161.09619	6.0
163.03909	35.5
163.07526	1.1
163.11169	1.6
165.05464	1.1
165.06888	1.1
166.99680	0.6
167.02129	1.1
167.03401	10.6
167.07196	1.0
167.08595	2.5
169.06480	0.7
169.10121	2.1
170.07312	0.9
171.08061	1.4
173.05984	8.8
173.09587	4.3
174.03096	1.0
174.06795	2.0
175.03893	2.5
175.07558	4.2
176.04723	2.0
177.05475	4.6
177.09048	0.8
178.07765	0.7
179.03381	0.6
179.07062	0.8
179.08575	1.9
179.10573	2.0
181.06386	0.8
183.08052	1.3
183.59686	0.7
185.05980	0.7
185.09625	2.7
186.06747	0.8
187.07574	3.2
189.05475	14.6
189.07059	1.2
189.09050	2.9
191.06976	0.8
191.10692	5.9
192.04240	0.7
193.08551	0.7
195.08078	4.1
197.05983	1.5
197.09663	1.6
198.06680	1.0
199.07669	1.6
200.08311	0.9
201.05508	2.8
201.09073	5.2
203.10654	4.9
205.08635	1.8
207.06491	7.5
207.10107	1.8
210.06796	1.0
211.07404	1.5
213.05608	1.3
213.09093	3.8
215.03380	0.9
215.06992	0.8
215.10677	8.5
217.08519	1.2
219.10155	20.1
221.06088	0.7
223.07549	1.1
225.09132	3.0
226.09750	0.8
227.07043	1.1
229.05042	0.9
231.08098	0.7
231.10152	13.4
234.06842	0.9
235.07518	0.8
237.05446	1.8
239.07104	1.1
243.10187	4.7
251.07083	0.9
253.08560	0.9
263.06998	3.1
265.04944	1.5
265.09006	0.7
266.05780	1.4
267.06500	1.9
267.10147	1.3
276.07632	0.8
277.08530	0.8
279.06491	2.1
279.10016	0.5
279.13599	0.9
281.07840	0.7
281.11441	0.6
282.05182	2.7
283.06003	7.5
285.07632	4.5
285.10925	1.0
291.06418	1.3
293.08243	0.9
295.06042	8.4
295.09290	0.9
297.07626	1.7
299.05621	1.3
305.07858	0.7
308.06784	7.2
309.07584	10.9
313.07159	0.6
321.07690	1.1
321.11203	1.0
322.08310	2.4
323.09048	0.7
323.12445	0.8
325.10754	2.2
327.12286	0.8
333.11319	1.1
337.10812	0.7
338.16626	1.0
339.12320	6.0
341.13666	5.0
351.12231	30.3
369.13300	45.6
370.13641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03941	0.6
55.01868	1.5
65.03954	0.7
67.05492	1.7
68.99793	3.3
69.03442	1.0
69.07048	0.4
70.92333	1.0
71.47035	0.4
75.70198	0.5
79.05490	1.2
80.60428	0.4
81.03423	0.6
81.07043	0.7
83.04983	1.1
85.02933	0.7
91.05469	1.5
93.03407	1.3
93.07028	0.5
95.04971	0.8
97.02886	1.0
97.06552	0.7
99.04445	0.5
103.05473	1.4
105.07007	2.4
107.04971	0.5
107.08543	0.5
107.64545	0.5
109.84348	0.4
111.00819	1.5
111.04457	3.8
115.05444	0.9
117.07007	1.0
119.08536	0.7
121.02851	0.7
123.04436	8.3
127.03887	0.4
128.06187	0.7
129.07033	1.4
131.04909	3.1
131.08583	1.2
133.06474	0.5
133.10127	1.0
135.04422	0.6
137.06024	1.1
139.03905	100.0
140.04269	0.7
141.06998	0.8
143.04927	0.6
143.08606	0.9
145.06485	1.6
145.10133	1.9
147.04414	1.8
149.05983	6.3
151.03914	3.1
151.07549	0.5
153.05464	1.5
153.06995	0.8
154.07759	0.8
155.08597	1.0
156.95552	0.5
157.06467	1.4
159.08087	0.9
159.11699	0.5
160.05165	2.6
161.05992	6.5
161.09641	1.6
163.03918	21.4
163.07541	0.7
165.05550	0.7
165.06982	0.5
167.03406	0.7
167.07047	2.0
167.08455	0.8
169.06551	0.7
169.10155	1.1
171.08020	0.8
173.05997	3.5
173.09648	1.8
174.06841	0.9
175.03896	0.7
175.07516	4.0
177.05501	1.7
177.09108	1.0
179.03409	12.3
179.08569	1.8
181.05043	0.9
181.06433	0.9
182.07314	0.7
183.08095	0.9
185.05925	0.5
186.06726	1.1
187.07523	2.4
189.05460	0.6
189.09114	7.6
191.10689	8.3
195.08023	1.1
197.05968	0.8
197.09630	1.7
199.07578	1.0
200.08354	1.2
201.05441	1.3
201.09120	7.2
203.10727	1.4
205.04964	0.8
205.08641	0.6
207.06528	0.7
207.10060	0.7
210.06798	1.3
211.07623	0.8
213.09053	2.3
214.06288	1.3
215.10678	9.1
219.10162	10.1
221.06012	1.2
225.05591	0.9
225.09142	2.9
227.07100	0.5
229.04948	2.1
231.10190	6.7
239.10620	0.9
243.10199	9.1
249.05408	0.6
267.06558	1.5
267.09863	0.5
271.05850	0.5
279.06448	1.3
282.05194	0.5
283.06116	0.9
285.07477	1.1
295.06042	10.5
295.09332	0.6
296.06586	0.8
297.07571	0.8
308.06793	0.9
309.07547	3.2
311.05518	1.3
313.07098	19.3
313.10577	1.5
321.07571	1.6
322.08240	1.5
323.09048	1.4
325.10797	2.8
333.11404	0.9
341.13824	1.2
351.12234	9.7
369.13217	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	369.1908
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
53.03935	4.4
54.27425	1.1
55.01864	4.1
55.05506	3.4
57.03432	4.1
57.07060	1.6
61.02909	2.8
62.91211	1.3
65.68135	1.2
67.05523	6.1
69.03428	25.0
69.07053	4.0
70.82271	3.5
71.04973	4.2
73.02930	1.8
79.05486	4.2
81.03429	6.8
81.07065	12.3
83.04983	4.0
85.02909	85.4
91.05492	6.4
93.07037	5.1
95.04957	2.5
95.08620	8.4
97.02897	12.7
97.06551	2.0
99.04462	5.4
105.07025	14.7
107.08573	7.4
109.02868	5.1
109.06519	4.5
109.10159	18.6
111.04441	5.5
111.08074	1.9
115.37730	1.2
117.07035	2.5
119.04989	2.3
119.08571	15.2
121.06503	3.0
121.10145	7.4
123.04438	2.2
123.08064	3.9
123.11714	57.4
125.05168	2.3
125.06005	25.4
127.03952	8.4
129.07039	1.9
130.07832	1.6
131.08589	6.0
133.06505	4.6
133.10120	6.0
137.05948	3.6
137.09578	3.1
139.07561	4.7
141.06972	1.8
143.08600	2.1
145.04950	4.4
145.10124	11.8
147.08070	7.0
147.11703	17.9
149.09627	13.5
149.34131	1.4
151.07542	9.7
151.11188	5.1
156.09338	6.7
157.10066	1.4
159.08087	3.0
161.09642	4.4
161.13235	6.8
163.11214	6.9
165.12732	2.6
167.07094	1.8
171.11694	8.7
174.10422	6.2
175.03908	1.6
187.11255	1.6
189.12761	60.4
190.13095	1.4
191.14268	7.1
193.93617	1.4
207.13811	100.0
225.12852	2.3
225.14880	22.9
255.70900	1.3
307.11603	2.2
333.16986	7.9
351.18039	18.6
360.67780	1.4
369.11475	3.8
369.15143	5.2
369.19095	59.6
388.84677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93132	1.2
53.03941	3.4
55.01862	2.1
55.05502	2.0
57.03430	2.3
61.02945	3.0
66.59585	1.1
67.05501	3.8
69.03431	15.4
69.07070	1.9
69.24312	11.8
69.24642	2.4
69.58730	1.3
71.04985	2.3
73.02925	1.9
79.05499	3.0
81.03414	5.0
81.07069	4.2
83.04979	6.9
85.02432	1.9
85.02906	24.5
87.04471	1.9
91.03944	1.3
91.05470	5.0
93.07046	5.9
95.04980	3.3
95.08596	3.6
97.02905	11.3
97.06496	1.5
98.40314	1.4
99.04460	3.5
105.07034	12.8
106.81719	1.4
107.08607	11.8
109.02880	9.0
109.06507	4.7
109.10114	2.9
117.06994	1.7
119.08582	14.7
121.06542	3.3
121.10152	10.8
123.08056	7.0
127.03916	7.9
129.07036	1.9
131.08604	2.7
133.06488	2.8
133.10130	17.8
135.08060	4.4
135.11691	1.5
137.09595	9.7
143.08553	2.9
145.04976	6.3
145.10144	6.3
147.08058	6.1
147.11703	6.6
149.09618	37.0
149.13260	1.6
151.11191	62.7
156.09372	4.8
159.08055	10.5
159.11711	2.2
160.08905	2.3
161.09628	7.4
161.13261	12.3
163.11198	21.2
163.14867	1.8
165.12807	2.0
171.11696	5.3
173.13226	1.4
174.10408	27.1
175.11224	1.8
179.10690	5.2
189.12753	100.0
191.14293	30.5
205.07057	1.9
207.13803	62.3
209.15361	1.7
279.11652	1.7
288.12244	1.4
304.53531	1.3
313.54572	1.2
369.15244	2.9
369.19131	7.5
375.62314	1.4
394.80154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.5
51.02365	1.2
53.03725	0.5
53.03949	4.5
56.05032	0.7
57.03427	1.9
61.02919	0.6
67.05529	0.5
69.03080	0.8
69.03432	12.4
69.68398	3.0
71.04975	1.6
73.02908	1.3
78.03456	21.8
80.05020	2.3
81.03421	30.9
85.02424	0.9
85.02905	10.6
87.04480	0.7
95.04989	0.6
95.08629	0.7
96.04488	2.2
97.02893	7.8
99.04470	4.2
106.02917	78.0
107.03252	0.6
109.02129	1.0
109.02881	21.0
119.96430	0.5
121.10149	0.9
121.24229	0.5
123.04361	0.5
124.03957	100.0
125.04301	0.7
127.03922	10.6
133.10138	0.7
143.88765	0.5
145.04970	1.3
148.12021	0.4
149.09616	6.4
151.11163	0.7
162.05484	0.6
165.12865	0.7
175.10797	0.5
177.05446	1.1
190.12959	0.6
191.14348	1.4
196.06096	1.5
202.05026	0.7
208.06097	0.8
208.14178	1.3
209.15381	3.1
232.06024	1.1
244.31261	0.5
250.07117	51.1
251.07521	0.6
268.08167	32.3
269.08423	0.8
286.09106	0.9
352.13925	15.7
353.14502	0.6
370.14740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	14.9
57.54986	7.2
61.02927	11.9
68.46909	6.1
69.03454	34.0
70.64230	20.2
71.93356	7.8
73.02921	24.0
80.80217	7.4
81.03442	10.0
85.02914	80.9
97.02903	29.1
98.97586	19.3
99.31832	6.6
101.00882	10.0
109.02891	10.2
119.01904	12.4
119.04911	8.3
127.03942	30.4
137.05988	8.3
143.01921	11.9
145.03497	10.7
145.04965	22.5
157.03445	10.2
158.99686	16.6
161.02975	8.2
167.07092	16.1
170.99643	7.7
173.02922	8.1
183.05072	7.5
185.03020	15.5
191.02408	9.7
191.03975	18.7
200.04454	27.8
200.06157	8.3
203.04082	10.5
245.05112	12.3
251.04417	15.5
257.07681	13.1
281.07083	22.8
284.44171	7.2
290.64209	6.9
306.07294	7.2
371.07401	100.0
371.12943	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97550	6.3
55.01868	8.2
56.96562	12.7
60.32137	6.6
69.03420	22.1
73.04777	43.8
81.03442	8.1
85.02911	31.1
91.05819	87.6
92.12447	7.4
97.02883	19.2
98.20733	21.1
98.97584	22.2
101.06043	10.0
103.05477	7.1
109.06515	15.9
110.97643	9.5
119.82030	8.1
120.08099	35.1
121.10135	16.9
127.03894	12.1
128.98605	9.6
129.05495	17.7
132.26093	8.2
133.10110	8.0
137.05957	9.4
145.04945	11.6
151.07668	8.1
152.05693	8.4
153.01820	15.3
163.12624	6.6
167.07030	12.3
170.64195	7.8
176.04565	18.5
177.04979	11.5
188.66478	6.5
191.14359	19.0
196.03665	8.8
208.07230	9.5
209.07697	21.0
209.12904	24.7
219.01761	20.9
237.02867	35.6
249.07468	8.5
268.97925	9.6
285.01071	34.2
355.07068	27.9
371.07581	100.0
371.13165	54.6
391.16257	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	371.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96556	2.1
57.03387	0.7
57.78212	0.6
69.03422	1.7
73.04742	2.7
80.53783	0.8
81.03410	1.5
84.96021	1.1
85.02897	2.5
91.05825	5.9
95.04962	1.8
97.02876	1.6
98.97583	2.9
101.05996	1.1
101.10182	0.6
106.24067	0.8
107.05017	0.7
109.02911	0.9
110.97575	0.8
111.04488	1.1
116.98613	1.6
120.08133	0.7
121.02901	4.8
127.03918	2.0
129.05502	0.9
139.03894	1.1
146.99667	0.8
147.06522	0.9
158.99553	0.7
161.05984	0.8
191.06827	3.0
194.02095	1.0
203.07112	0.8
209.04596	3.8
209.07819	4.0
237.02821	1.4
249.07486	1.1
251.08041	0.8
267.00027	0.8
268.97818	1.7
269.03033	0.7
285.01047	3.8
303.02164	0.8
329.05484	1.2
347.06506	1.1
355.07016	2.8
362.09824	0.7
371.13120	100.0
372.13330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1494
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03944	3.3
55.01864	4.0
55.05505	3.2
56.96557	2.6
57.03440	3.3
67.05497	5.0
69.03423	6.8
69.07060	2.9
71.19848	2.7
78.04700	2.2
79.05508	13.5
81.03423	6.2
81.07059	9.3
83.04965	4.0
85.02906	6.8
91.05484	17.6
91.91177	2.0
93.07048	8.6
94.04186	3.8
95.04979	8.4
95.08617	5.0
97.02919	4.5
97.06535	2.5
99.04495	2.9
103.05492	2.1
105.07033	9.3
107.04965	21.2
107.08598	9.5
109.06525	6.6
109.10169	5.5
111.04415	3.9
111.08153	2.5
115.05458	3.7
117.07027	3.2
119.04927	3.1
119.08616	4.5
121.06512	2.5
121.10143	6.5
122.03650	9.5
123.04475	5.3
123.08030	2.4
123.11710	2.5
124.05190	3.2
126.44067	2.1
127.03922	3.8
128.06247	5.5
129.05490	2.3
129.07028	11.3
131.04895	4.6
131.08568	15.1
133.10127	4.2
135.04396	2.4
135.08070	5.8
135.11761	2.6
137.05981	100.0
139.03893	3.8
140.04276	2.7
141.07005	4.4
144.05711	7.1
145.06483	3.4
145.10114	5.7
147.11739	2.6
149.06044	5.2
149.09642	6.8
151.03903	7.0
151.07552	8.4
151.11212	4.2
153.01848	2.8
156.05714	22.4
157.06491	8.9
158.07297	4.2
159.08073	16.7
161.06001	3.1
161.09567	2.4
161.13309	2.0
163.03915	4.2
163.07527	5.9
163.11201	5.7
165.07019	2.5
165.12744	2.8
167.07051	52.6
167.10757	2.5
169.06459	4.2
172.05223	4.7
173.13235	2.1
174.06821	7.4
175.07556	9.5
177.05508	8.2
177.95937	2.3
178.07788	4.0
181.04892	3.3
184.05183	3.5
186.06819	4.4
187.07579	24.0
189.07085	2.7
189.09125	7.9
190.07864	4.3
191.07018	2.8
191.08582	2.9
191.10699	4.1
191.14354	8.0
193.06720	2.3
193.08533	4.5
201.09256	2.6
202.06277	6.9
203.05264	22.4
203.08568	5.8
204.07785	3.5
204.09532	2.5
205.06613	3.7
205.08618	6.0
206.07231	9.2
207.08162	4.7
209.06134	2.5
209.08043	3.8
209.15346	10.0
210.15018	3.1
211.07469	4.8
215.07022	6.4
217.06654	2.7
217.08583	81.6
218.07182	10.1
219.08035	9.4
219.10184	7.4
221.06052	3.8
221.09662	9.0
223.07553	4.7
224.04492	2.3
225.09390	2.5
226.06224	5.5
231.08165	10.2
232.08890	4.9
233.09714	15.9
234.06784	16.5
235.07423	15.0
236.08229	5.6
237.05478	2.9
237.09108	2.5
238.09891	4.1
239.06973	15.8
240.07870	2.3
241.08490	12.4
242.05656	4.5
243.08284	2.6
246.06776	4.0
247.07498	8.2
247.09709	31.6
248.08368	4.6
249.09067	29.4
250.06226	3.5
250.09915	4.8
251.07021	7.1
251.10620	4.5
252.07770	11.2
253.08569	3.5
259.07629	3.4
260.08301	4.7
261.09106	30.9
262.06320	5.6
262.09827	3.0
263.07034	11.4
263.10623	2.8
264.07852	4.9
265.08551	9.7
266.09335	9.9
267.10104	3.2
269.08160	5.1
271.06021	6.6
275.07037	2.7
275.10754	2.7
276.07889	3.0
277.08597	27.2
278.09412	16.3
279.06528	6.2
279.10178	6.3
280.07428	7.3
281.08368	3.6
281.11728	11.0
283.09659	5.6
284.06924	2.3
285.07620	49.3
286.08234	3.3
288.07944	2.3
289.08597	8.6
291.06982	2.2
291.10193	5.7
292.07489	2.7
292.10703	4.7
293.08118	8.6
293.11728	27.4
294.08865	7.9
295.09650	9.1
296.10413	8.3
297.07657	3.0
300.09937	56.0
301.10638	10.7
306.08868	9.9
307.09747	7.9
309.11200	29.3
310.12051	3.4
311.09418	4.4
311.12756	8.6
312.10257	2.3
313.10867	10.2
316.93610	2.2
320.10385	4.0
321.11246	38.5
322.11853	4.0
323.09128	8.6
325.10742	4.4
325.34662	2.1
326.11511	20.2
327.12216	5.8
329.32236	2.4
338.11542	3.8
339.01816	2.2
339.12326	45.4
340.12839	2.8
341.13910	21.8
343.15598	2.4
353.13843	67.5
366.09784	2.2
371.14767	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01864	4.0
55.05505	3.2
56.96557	2.6
57.03440	3.3
67.05497	5.0
69.03423	6.8
69.07060	2.9
71.19848	2.7
78.04700	2.2
79.05508	13.5
81.03423	6.2
81.07059	9.3
83.04965	4.0
85.02906	6.8
91.05484	17.6
91.91177	2.0
93.07048	8.6
94.04186	3.8
95.04979	8.4
95.08617	5.0
97.02919	4.5
97.06535	2.5
99.04495	2.9
103.05492	2.1
105.07033	9.3
107.04965	21.2
107.08598	9.5
109.06525	6.6
109.10169	5.5
111.04415	3.9
111.08153	2.5
115.05458	3.7
117.07027	3.2
119.04927	3.1
119.08616	4.5
121.06512	2.5
121.10143	6.5
122.03650	9.5
123.04475	5.3
123.08030	2.4
123.11710	2.5
124.05190	3.2
126.44067	2.1
127.03922	3.8
128.06247	5.5
129.05490	2.3
129.07028	11.3
131.04895	4.6
131.08568	15.1
133.10127	4.2
135.04396	2.4
135.08070	5.8
135.11761	2.6
137.05981	100.0
139.03893	3.8
140.04276	2.7
141.07005	4.4
144.05711	7.1
145.06483	3.4
145.10114	5.7
147.11739	2.6
149.06044	5.2
149.09642	6.8
151.03903	7.0
151.07552	8.4
151.11212	4.2
153.01848	2.8
156.05714	22.4
157.06491	8.9
158.07297	4.2
159.08073	16.7
161.06001	3.1
161.09567	2.4
161.13309	2.0
163.03915	4.2
163.07527	5.9
163.11201	5.7
165.07019	2.5
165.12744	2.8
167.07051	52.6
167.10757	2.5
169.06459	4.2
172.05223	4.7
173.13235	2.1
174.06821	7.4
175.07556	9.5
177.05508	8.2
177.95937	2.3
178.07788	4.0
181.04892	3.3
184.05183	3.5
186.06819	4.4
187.07579	24.0
189.07085	2.7
189.09125	7.9
190.07864	4.3
191.07018	2.8
191.08582	2.9
191.10699	4.1
191.14354	8.0
193.06720	2.3
193.08533	4.5
201.09256	2.6
202.06277	6.9
203.05264	22.4
203.08568	5.8
204.07785	3.5
204.09532	2.5
205.06613	3.7
205.08618	6.0
206.07231	9.2
207.08162	4.7
209.06134	2.5
209.08043	3.8
209.15346	10.0
210.15018	3.1
211.07469	4.8
215.07022	6.4
217.06654	2.7
217.08583	81.6
218.07182	10.1
219.08035	9.4
219.10184	7.4
221.06052	3.8
221.09662	9.0
223.07553	4.7
224.04492	2.3
225.09390	2.5
226.06224	5.5
231.08165	10.2
232.08890	4.9
233.09714	15.9
234.06784	16.5
235.07423	15.0
236.08229	5.6
237.05478	2.9
237.09108	2.5
238.09891	4.1
239.06973	15.8
240.07870	2.3
241.08490	12.4
242.05656	4.5
243.08284	2.6
246.06776	4.0
247.07498	8.2
247.09709	31.6
248.08368	4.6
249.09067	29.4
250.06226	3.5
250.09915	4.8
251.07021	7.1
251.10620	4.5
252.07770	11.2
253.08569	3.5
259.07629	3.4
260.08301	4.7
261.09106	30.9
262.06320	5.6
262.09827	3.0
263.07034	11.4
263.10623	2.8
264.07852	4.9
265.08551	9.7
266.09335	9.9
267.10104	3.2
269.08160	5.1
271.06021	6.6
275.07037	2.7
275.10754	2.7
276.07889	3.0
277.08597	27.2
278.09412	16.3
279.06528	6.2
279.10178	6.3
280.07428	7.3
281.08368	3.6
281.11728	11.0
283.09659	5.6
284.06924	2.3
285.07620	49.3
286.08234	3.3
288.07944	2.3
289.08597	8.6
291.06982	2.2
291.10193	5.7
292.07489	2.7
292.10703	4.7
293.08118	8.6
293.11728	27.4
294.08865	7.9
295.09650	9.1
296.10413	8.3
297.07657	3.0
300.09937	56.0
301.10638	10.7
306.08868	9.9
307.09747	7.9
309.11200	29.3
310.12051	3.4
311.09418	4.4
311.12756	8.6
312.10257	2.3
313.10867	10.2
316.93610	2.2
320.10385	4.0
321.11246	38.5
322.11853	4.0
323.09128	8.6
325.10742	4.4
325.34662	2.1
326.11511	20.2
327.12216	5.8
329.32236	2.4
338.11542	3.8
339.01816	2.2
339.12326	45.4
340.12839	2.8
341.13910	21.8
343.15598	2.4
353.13843	67.5
366.09784	2.2
371.14767	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01863	1.2
55.05500	2.1
57.03429	2.3
59.04983	0.8
61.02924	2.9
62.18509	0.6
64.63078	0.6
67.05484	2.3
69.03082	1.0
69.03429	12.1
69.07060	2.0
69.52599	3.6
71.04974	1.8
73.02893	1.3
79.05482	1.4
81.03426	5.8
81.07047	4.1
83.04977	2.7
83.08613	1.3
85.02905	24.8
87.04457	0.9
91.03952	1.2
91.05468	2.7
93.07033	2.2
95.04974	5.3
95.08610	4.0
97.02906	7.8
97.06521	1.5
99.04443	2.1
99.08078	1.5
100.11265	3.6
105.07040	4.3
106.08089	0.5
107.04951	1.0
107.08600	10.6
109.02876	2.8
109.06512	4.8
109.10152	2.5
111.08145	0.7
119.08594	2.8
121.06541	1.3
121.09317	0.9
121.10143	11.6
122.07306	0.8
123.08070	4.1
123.11687	2.8
127.03918	5.0
129.06958	0.8
131.08527	2.0
133.07556	0.7
133.10117	6.9
135.08057	4.0
135.11719	0.8
137.05980	1.9
137.08649	0.9
137.09622	10.6
137.13260	1.1
145.04974	5.2
145.10158	1.2
146.63846	0.6
147.11682	2.0
149.09633	17.3
149.13251	4.8
150.10202	0.5
151.11185	13.6
153.09087	0.9
155.06966	0.9
156.05688	0.8
163.11174	0.7
163.14764	1.1
165.12761	37.0
167.07039	5.7
173.13289	5.2
175.07516	1.2
187.07556	1.3
191.07056	0.7
191.14304	16.4
192.14766	0.7
193.15909	1.7
209.15366	100.0
210.15523	1.2
217.08595	1.2
247.09615	0.7
285.07639	0.6
293.11758	0.8
298.73834	0.5
300.09772	0.6
309.11084	0.9
321.11118	0.6
339.12424	1.1
353.13885	0.9
362.27246	2.1
362.77649	0.7
371.15082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.207
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.14879	0.8
51.32964	0.8
53.03941	4.0
55.01880	4.5
55.05516	4.5
56.96572	1.8
57.03448	6.6
59.04984	1.6
61.02935	10.2
67.05516	4.0
69.03436	29.4
69.07081	10.9
70.49651	0.9
70.83990	1.8
71.05008	6.9
73.02915	4.5
79.05498	7.2
81.03429	13.8
81.07066	9.1
83.01327	1.3
83.05002	1.6
83.08620	2.0
85.02917	82.1
85.06578	1.6
87.04456	5.0
91.03977	6.0
91.05466	5.9
93.07053	8.4
95.04990	17.7
95.08617	7.6
97.02909	26.1
97.06527	5.4
97.10159	1.6
98.97575	2.1
99.04464	8.5
103.05465	1.2
105.07047	9.3
107.04975	4.0
107.08609	11.9
109.02898	8.8
109.06535	9.4
109.10143	4.9
111.04487	1.1
111.08082	1.4
113.06034	1.2
115.03954	1.0
115.05437	1.8
117.07020	1.4
119.08597	5.6
121.06512	6.4
121.10136	6.8
122.07332	4.6
123.04452	3.0
123.08081	19.1
123.11755	1.5
125.09639	1.4
127.03933	19.0
128.06276	1.3
129.05447	1.8
129.07025	2.2
131.04953	1.6
131.08563	3.5
133.06480	1.3
133.10138	7.2
135.08067	31.6
135.11707	4.5
137.06015	8.9
137.09605	2.3
139.03894	2.9
139.07553	1.4
143.08575	2.1
145.04982	33.2
145.06178	1.3
145.10129	4.2
147.04399	1.2
147.08072	1.7
147.11710	6.9
148.08888	1.2
149.05997	2.0
149.09612	4.8
149.13277	2.2
151.03925	1.8
151.07556	1.2
156.05699	1.5
157.06474	1.0
157.10135	1.4
159.08020	1.2
159.11662	2.5
161.06020	1.5
161.09616	1.8
163.03975	1.7
163.06044	4.1
163.07385	1.3
163.11180	3.4
163.14917	1.3
165.12772	55.5
167.07082	11.8
167.40233	1.1
173.09651	4.4
173.13290	2.8
175.07570	2.1
175.14842	2.7
176.11975	3.9
177.05574	2.4
179.08659	1.8
179.10597	1.3
181.06506	1.9
187.07561	3.2
187.11237	2.6
189.09074	2.4
191.07016	1.3
191.10690	3.7
191.14328	100.0
192.14658	2.0
193.08656	1.2
193.15878	8.7
194.07265	1.4
195.08165	1.2
201.09081	3.6
202.09450	3.0
203.09834	1.8
206.07211	2.4
207.08084	1.2
207.13823	2.4
209.15392	14.2
215.10716	2.5
217.08604	6.0
218.07335	2.3
219.08203	2.2
219.10187	2.5
220.10875	1.2
221.05925	1.5
222.06845	2.1
223.07553	1.2
224.08376	1.1
231.08083	2.0
233.09683	1.7
233.11757	2.5
234.06805	2.7
235.07581	4.5
236.08411	2.4
237.09125	1.4
241.08595	2.3
247.07402	1.4
247.09726	2.1
248.08275	1.0
249.09163	5.6
250.10004	1.1
251.07021	3.6
251.12964	1.6
252.07864	6.6
253.08536	0.9
261.09189	2.7
263.07104	1.9
264.07794	2.8
265.08594	7.9
266.09338	6.2
269.08115	1.4
277.08612	4.3
278.09396	2.9
279.06628	1.9
280.07318	4.7
281.08063	3.7
281.11609	1.1
283.09583	0.9
285.07495	2.5
293.11856	5.5
294.08905	1.5
295.09665	2.5
296.10452	5.4
297.11053	1.1
300.09894	1.8
306.08804	1.1
309.11163	3.9
309.16977	1.5
311.12820	4.5
313.10776	1.1
321.11264	5.1
325.07126	1.5
325.10519	1.3
326.11414	1.0
327.12180	1.8
327.18182	3.5
339.12335	40.8
340.12784	3.7
341.13916	1.4
343.15359	1.1
353.13849	6.4
371.07407	1.7
371.11212	2.5
371.14972	29.1
371.20627	66.3
371.25183	2.1
372.21014	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03929	1.4
55.01849	0.8
55.05498	1.2
57.03427	1.1
57.07075	0.7
59.26392	0.4
61.02929	2.4
65.03936	0.7
67.05505	1.6
69.03083	0.6
69.03433	9.8
69.07079	2.2
69.20189	1.0
69.20579	4.5
71.04996	1.2
71.48328	0.4
73.02916	0.6
79.05483	1.4
81.03424	5.3
81.07048	2.7
83.01315	0.7
83.04986	2.8
83.08615	0.7
85.02907	21.8
87.04465	0.9
91.03944	1.7
91.05484	1.0
93.07049	2.5
95.04971	3.1
95.08612	4.2
97.02894	7.5
98.20770	0.9
99.04460	1.4
99.08102	0.7
105.07039	2.4
107.08588	6.8
109.02866	2.2
109.06535	4.4
109.10172	2.6
111.08090	0.7
119.08578	2.0
121.06519	0.7
121.09309	0.8
121.10143	9.8
122.07268	1.0
123.08060	4.0
123.11699	2.6
127.03921	4.4
131.08565	1.3
133.10132	2.4
135.08054	1.8
135.11693	1.0
137.09625	9.8
137.13342	0.5
139.11201	0.5
145.04976	4.6
145.10135	1.0
147.11674	2.0
149.09630	6.1
149.13312	5.1
151.11185	16.6
163.14833	1.3
165.12758	35.6
166.12979	0.5
167.07109	0.6
173.13254	2.8
191.14305	16.0
193.15866	1.3
209.15369	100.0
210.15640	1.4
248.38139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.05511	1.5
61.02905	1.5
62.93619	1.3
67.05515	5.1
69.03432	5.8
69.07061	2.9
69.54494	9.4
71.05000	1.7
79.05497	2.9
81.07030	2.1
83.04965	1.5
85.02917	13.9
91.03958	2.6
91.05489	4.0
93.07047	9.8
95.08614	44.2
97.02889	5.1
97.06537	12.4
98.21441	2.6
99.08111	1.9
105.07073	8.5
107.08606	11.7
109.06547	1.8
109.10170	2.7
111.48595	1.4
115.07578	1.8
119.08572	3.3
121.06550	1.7
121.09364	1.6
121.10142	9.1
123.08000	1.5
123.11736	2.6
123.28034	1.3
125.09677	1.6
127.03951	3.1
131.08580	5.9
133.10139	100.0
134.10565	1.6
135.08095	3.3
135.11725	2.2
137.09654	2.4
143.08627	1.7
145.04970	4.1
145.10106	3.9
147.11711	4.5
149.09627	23.6
149.13252	5.1
151.11174	11.9
158.10939	3.9
162.38550	1.3
163.14827	5.5
167.06998	2.2
168.29549	1.6
173.13274	31.5
173.14696	2.6
191.14311	41.7
209.15358	15.9
357.72134	1.5
371.16803	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87335	2.2
69.03428	7.1
71.04842	4.7
79.05502	4.5
81.03429	2.6
81.07063	6.8
83.04995	2.7
83.08582	2.2
85.02911	9.2
86.31819	1.9
91.05483	4.0
93.07039	4.4
97.02905	3.1
105.07052	5.9
106.55825	2.2
107.04939	3.1
107.08592	15.2
109.06529	6.6
109.10168	6.5
115.05479	3.3
117.07025	2.2
121.10146	15.2
122.07293	4.8
123.08089	3.9
127.03921	3.4
129.06950	2.4
129.14879	2.0
130.04207	2.3
133.10150	100.0
135.08049	12.2
137.06056	2.7
137.09636	62.9
145.10181	2.9
147.11745	2.8
149.06155	2.2
149.09608	4.4
149.13324	11.8
151.11209	6.1
151.26826	2.0
163.14848	3.1
165.12764	3.6
167.07056	8.0
173.13310	12.3
191.14325	45.7
209.15396	33.3
217.08681	2.8
264.67041	2.2
275.27649	2.1
290.10156	2.4
357.72952	2.3
371.15237	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
55.40601	0.5
57.03440	0.8
60.50703	0.5
61.02919	1.9
61.79848	0.4
65.03963	0.6
67.05505	1.6
68.68721	0.5
69.03436	3.8
69.07064	0.8
70.62553	0.6
70.62881	1.0
71.04987	4.5
71.14296	0.5
81.03417	2.3
81.07056	1.8
83.04987	2.1
83.08600	1.0
85.02906	8.4
85.06538	1.2
91.03958	0.7
91.05480	0.9
93.07046	3.8
95.04969	100.0
95.08594	2.8
96.05355	0.7
97.02915	2.6
97.06508	1.0
99.04456	25.6
99.08131	0.9
102.82558	0.5
105.07042	1.5
107.08591	4.1
109.02897	0.7
109.06528	1.3
109.10155	2.3
111.08089	1.8
119.08549	0.8
121.10181	3.4
121.46299	0.5
123.08159	0.7
125.09639	0.8
127.03938	1.6
131.08560	1.2
133.10143	7.7
135.08061	2.2
137.09648	1.1
139.11218	0.9
139.55891	0.5
145.04990	1.8
145.10124	0.8
147.11685	1.0
149.09590	0.7
149.13277	2.3
151.11205	7.2
152.17226	0.5
153.09106	35.4
161.09731	0.6
163.14807	1.7
167.07065	0.8
173.13271	4.9
186.16595	0.5
191.14307	10.4
209.15370	41.9
210.15633	0.6
331.43030	0.6
339.12469	0.5
371.15262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1445
Annotation	Leptopinine
Peak:m/z	Relative Intensity
56.05042	66.2
68.99802	2.2
69.03426	1.5
69.76118	3.7
79.05489	0.9
81.07079	0.7
82.06561	0.8
91.05484	1.8
93.07033	2.2
95.05000	0.8
98.20727	0.7
103.05463	1.1
103.09753	0.7
107.04952	2.0
109.06502	0.9
119.04967	4.5
121.06546	4.5
123.04442	24.9
131.04944	1.2
133.10066	0.8
135.04427	2.7
137.05977	1.5
137.57951	0.6
144.43102	0.7
147.04419	14.7
149.06013	9.1
159.04463	1.2
161.05980	2.0
165.05493	38.2
174.05542	2.9
175.07541	1.0
177.05482	100.0
189.05388	0.7
192.76059	0.7
194.09360	1.2
202.08656	1.3
207.06590	1.5
210.11150	0.9
220.09708	64.5
311.09015	1.6
317.10214	4.9
329.10220	32.6
370.47464	0.7
372.14423	35.1
373.18549	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	372.1446
Annotation	Leptopinine
Peak:m/z	Relative Intensity
55.40641	0.5
56.05044	57.6
67.05505	0.7
68.99799	1.4
69.03432	1.1
70.45996	0.5
70.57387	1.3
70.57761	1.3
79.05527	1.2
80.96119	0.6
81.03444	0.5
81.07075	1.3
85.02911	0.7
91.05483	1.6
93.07065	1.0
93.87085	0.5
95.04994	1.1
97.02924	0.7
103.05518	0.9
105.07044	0.7
106.96922	0.5
107.04956	2.0
107.08635	0.7
109.06571	1.0
119.04986	3.0
121.06505	3.2
123.04443	18.9
124.07617	1.2
131.04948	1.3
135.04445	3.3
137.06049	0.9
144.01251	0.5
147.04425	12.6
149.05997	7.9
159.04463	1.4
161.05943	1.5
164.10664	0.6
165.05496	37.7
173.05879	0.9
174.05505	3.3
175.07596	1.2
177.05490	100.0
178.05812	0.8
181.16524	0.5
196.25504	0.6
202.08861	0.8
207.06551	2.2
210.05746	0.5
210.15654	0.5
220.09715	66.5
221.10089	0.8
254.65425	0.6
301.94202	0.5
311.09262	1.4
317.10312	3.3
329.10226	23.3
354.13440	0.7
372.14423	30.0
373.18329	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	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.38953	0.4
57.03437	1.4
61.02921	2.2
61.26799	0.5
62.06092	0.5
69.03439	6.2
71.03989	0.7
71.04987	0.7
72.04510	0.7
73.02920	0.8
74.06062	0.5
75.83895	0.4
78.26917	0.4
79.05503	0.8
81.03417	2.7
83.01328	0.4
85.02912	15.5
87.04466	1.2
91.03983	1.1
91.05449	1.9
97.02900	6.3
99.04466	1.1
103.05457	2.7
105.07037	4.3
107.04959	1.7
109.02907	2.1
117.05759	0.9
117.07021	1.4
118.06562	1.7
119.07360	2.5
119.08595	0.6
120.08121	4.4
127.03926	3.1
128.94470	0.5
129.07001	3.1
131.04933	1.8
131.07286	0.9
137.06093	0.5
144.08090	0.8
145.04996	2.1
146.09651	6.1
153.83623	0.4
164.10728	97.0
165.11055	0.8
168.48792	0.5
178.05037	0.4
192.10199	1.2
208.07201	0.5
210.11267	100.0
211.11540	0.8
301.00986	0.4
336.14362	0.7
336.92816	0.5
372.12503	1.1
372.16663	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40057	0.5
56.53766	0.5
56.96547	0.6
67.05510	1.7
69.03441	3.3
69.07068	0.8
69.31387	1.0
69.31789	3.4
71.05004	0.6
79.05474	1.5
81.03398	0.7
81.07056	1.3
83.04971	1.5
84.08117	0.7
85.02899	3.0
90.26922	0.5
91.05479	1.5
95.04966	4.3
95.08620	0.9
97.02890	1.7
97.06542	2.3
98.97623	0.6
99.04470	1.0
99.08096	1.5
105.07035	1.0
107.04951	0.7
107.08609	1.4
107.12242	0.6
109.02866	0.8
109.10162	7.5
115.03953	2.3
119.08585	1.1
121.06535	0.7
122.03648	1.0
123.04433	0.6
127.03912	1.3
129.07056	0.5
133.10146	1.2
135.08107	0.8
135.11719	1.3
137.05977	12.2
137.09624	4.8
147.04404	0.8
147.08049	1.5
149.06041	0.8
151.07567	1.5
155.07050	1.4
155.10696	0.9
161.09564	0.6
163.07536	1.1
165.05545	0.9
165.09207	0.7
167.07091	1.7
177.05505	1.4
177.09250	1.0
193.12047	1.8
193.15891	7.9
195.10104	0.6
195.13615	1.9
201.03703	1.9
201.05353	0.5
203.05278	7.4
211.06018	0.5
211.09479	1.1
211.16890	3.6
252.03099	0.6
259.02463	0.9
259.66727	0.5
269.10355	0.8
277.03497	1.1
305.11929	1.0
328.66534	0.5
373.08865	2.1
373.14529	17.7
373.18472	100.0
374.18961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.04440	2.2
53.03930	2.3
53.55885	2.3
54.01915	1.9
55.01864	3.9
55.05498	8.5
57.03438	2.9
57.87543	2.1
61.02909	2.2
67.05508	18.6
69.03415	8.9
69.07063	5.2
69.79955	1.9
70.70691	4.3
70.71057	3.6
71.04968	3.4
79.05482	6.7
79.33240	2.1
81.03404	5.7
81.07050	17.0
83.04981	17.6
83.08591	2.5
85.02917	21.2
85.06544	5.3
91.05479	9.5
92.40174	2.3
93.07035	15.4
95.04967	54.9
95.08614	25.2
97.02876	9.1
97.06499	2.9
99.04478	3.0
99.08098	64.7
99.08749	3.5
99.15215	2.2
105.07058	12.7
107.04925	2.5
107.08602	18.1
109.02858	3.3
109.06499	7.5
109.10160	64.9
111.08047	2.3
117.07018	4.6
119.08586	23.8
121.10120	11.8
123.08077	5.2
123.11682	8.7
124.07581	3.4
127.03932	4.8
129.06981	2.6
131.08475	2.9
133.10132	53.6
135.08080	14.3
135.11681	17.7
137.05981	13.0
137.09616	65.5
147.11670	2.8
149.05891	2.4
149.13281	5.9
151.07512	2.6
155.10684	13.4
161.09608	2.5
165.16354	4.1
169.10188	2.4
173.13252	2.4
175.14810	26.7
193.15880	100.0
194.16264	2.7
211.15092	2.6
211.16934	60.8
217.15778	6.2
235.16920	3.4
253.17993	2.7
263.12683	3.5
281.14096	2.8
286.22122	2.3
299.14917	7.8
317.15784	3.8
319.19052	2.9
337.19901	3.0
355.21170	2.2
373.18106	15.1
373.22351	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95497	2.2
55.05497	6.7
57.03431	2.6
57.07073	2.7
59.05012	2.9
67.05499	14.5
69.03414	7.2
69.07070	12.0
69.57793	4.7
69.58212	10.5
79.05500	3.8
81.07072	13.3
83.04975	7.1
83.08619	8.3
85.02908	6.4
85.06567	3.2
91.05486	3.8
93.07037	6.4
95.08615	28.0
97.02878	3.9
99.08092	3.3
105.07025	4.5
107.08610	20.0
109.06502	7.8
109.10160	100.0
111.08078	3.6
117.07043	2.1
119.08591	39.2
121.10142	13.5
123.08052	12.2
123.11715	5.6
129.95461	2.6
133.10147	18.8
135.11699	96.5
137.09602	12.4
146.71286	2.2
149.13249	7.9
151.11174	7.3
151.14819	10.8
153.12759	3.5
175.14847	39.3
189.11304	2.3
193.14206	4.6
193.15878	62.2
211.16942	77.5
263.98892	2.7
290.15967	2.6
323.35794	2.6
329.33887	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2225
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05507	6.4
55.60997	1.5
57.03427	1.5
57.07089	2.5
57.53042	1.5
59.05003	1.6
61.02956	1.4
66.37852	1.6
67.05521	15.4
69.03428	7.0
69.07079	10.7
70.70760	2.4
70.71070	2.8
71.04967	3.2
71.08627	1.5
76.74877	1.4
79.05502	2.6
81.07071	14.6
83.04986	7.0
83.08630	6.8
85.02919	11.5
85.06547	3.8
91.05489	3.9
93.07054	7.4
95.08613	28.7
97.02877	1.9
97.10212	2.7
99.08105	5.0
105.07034	4.5
107.08611	22.3
109.06528	8.9
109.10171	100.0
110.53522	1.8
111.08084	5.7
113.09685	1.7
119.07811	2.9
119.08607	42.1
121.10147	10.4
123.08092	13.4
123.10954	1.8
123.11701	9.5
133.10149	25.1
135.11707	94.0
137.09628	20.0
139.11211	1.8
149.13272	9.2
151.11165	9.8
151.14825	9.8
165.12880	1.8
165.16429	4.8
175.14850	50.5
193.15906	71.0
211.16968	93.3
212.17195	1.7
287.42682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10299	2.8
55.05505	8.1
58.07502	2.8
67.05502	17.2
69.03407	2.9
69.07066	9.8
70.78396	8.3
71.04967	3.1
78.76157	2.7
81.07059	16.4
83.04979	6.2
83.08617	5.1
85.02890	5.4
85.06529	3.7
93.07039	7.7
94.83594	3.0
95.08611	29.3
96.61607	3.0
97.10138	3.3
99.08092	3.0
105.07027	4.3
107.08605	18.7
109.06528	9.7
109.09372	4.8
109.10154	94.9
119.08577	36.9
121.10132	6.8
123.08087	9.1
123.11697	6.5
133.10143	20.5
135.10690	6.1
135.11705	100.0
137.09593	16.7
149.13316	7.6
151.11212	6.6
151.14819	9.2
175.14824	45.9
176.07420	2.9
193.15891	59.8
211.16933	65.3
310.20724	2.8
390.37164	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36984	0.5
53.03939	0.9
55.01862	1.2
55.05507	4.2
57.03440	2.7
57.07071	1.6
59.04998	0.6
61.02916	1.5
65.03942	0.5
67.05505	7.4
67.09805	0.5
69.03433	5.0
69.07069	4.7
69.63396	3.3
71.04988	2.2
71.08639	0.9
73.02910	0.6
73.49061	0.6
77.63996	0.5
79.05467	1.7
81.03428	2.7
81.07058	8.4
83.04975	3.2
83.08624	3.9
85.02911	17.4
85.06548	3.6
91.05499	2.7
93.07054	6.2
95.04977	1.4
95.08611	16.0
97.02897	4.2
97.06544	2.6
97.10157	1.9
99.04438	1.3
99.08096	4.5
101.06026	0.6
101.10365	0.6
103.05459	1.0
105.07047	4.7
107.04988	1.2
107.08596	8.4
109.02862	1.6
109.06529	3.7
109.10161	27.9
111.07361	0.9
111.08083	11.2
115.07572	1.0
116.40491	0.6
119.08585	14.8
121.06537	0.5
121.10164	8.8
123.08065	10.5
123.11716	6.5
125.09625	2.6
127.03940	3.4
131.04922	1.2
131.08571	0.8
132.09190	0.5
133.10141	14.2
135.08095	1.0
135.10681	1.1
135.11696	17.8
135.12720	1.0
137.05989	7.7
137.09619	26.5
137.13249	2.3
138.10371	1.6
139.11162	1.5
145.04962	2.7
145.06459	0.5
145.10118	0.9
147.11673	3.2
149.05980	0.6
149.13287	4.5
151.07578	1.3
151.11191	2.2
151.14859	2.9
155.10632	0.8
161.05943	0.6
163.07526	0.8
165.12767	3.8
165.16385	1.0
167.07089	3.9
175.07504	1.2
175.14838	27.5
177.09091	1.1
193.08601	1.0
193.12248	1.1
193.15892	25.8
211.16937	100.0
212.17302	1.1
244.02699	0.5
305.11749	0.6
313.11945	0.6
325.20178	0.8
340.12549	0.5
341.13446	2.0
373.12912	1.2
373.22375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.68578	1.5
52.54457	1.6
52.56691	1.4
55.01868	2.0
55.05503	6.6
57.03424	2.1
57.07070	2.2
57.41886	1.6
61.02921	3.6
67.05502	12.4
69.03437	12.1
69.07078	10.1
69.62749	3.9
69.63157	7.4
71.04989	5.8
79.05480	4.9
81.03408	4.9
81.07065	13.5
83.04977	7.6
83.08620	4.0
85.02910	29.9
85.06549	4.1
91.05470	5.9
93.07056	16.1
95.04967	21.6
95.08601	23.3
97.02888	7.0
97.06536	2.1
99.04445	8.0
99.08097	100.0
105.07040	10.0
107.04931	3.0
107.08598	22.3
109.02879	3.4
109.06506	5.2
109.09471	3.0
109.10168	47.7
111.08092	2.0
113.09625	2.1
115.05431	2.0
119.04958	2.9
119.08588	19.6
121.10165	10.5
123.08099	3.2
123.11688	6.9
125.09688	1.8
127.03907	7.7
133.06494	4.4
133.10141	24.9
135.08165	2.2
135.11697	25.7
136.70078	1.7
137.05978	14.4
137.09613	34.2
145.04944	3.7
147.04446	2.8
147.11577	2.2
149.12192	2.0
149.13274	19.8
151.07553	3.5
151.11179	4.8
151.14809	2.8
155.10672	19.7
161.06009	8.6
163.07520	1.8
165.16347	2.2
173.63486	1.7
175.14830	27.0
176.15167	2.1
193.08495	2.6
193.15881	70.7
208.67084	1.7
211.09605	4.5
211.16942	67.8
270.90298	1.8
319.19437	1.8
340.31625	1.7
342.70416	1.6
373.14560	22.2
373.18494	8.8
373.22321	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	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01871	2.0
55.05515	8.3
56.96564	2.2
57.03437	6.9
57.07102	1.8
59.05005	1.9
61.02923	2.0
61.99668	1.5
63.15843	1.7
63.92749	1.6
65.03933	2.3
67.05502	11.5
69.03435	5.3
69.07082	12.7
71.04997	4.8
79.05501	11.1
81.03423	7.3
81.07066	23.8
83.05007	5.9
83.08633	3.7
85.02921	11.4
85.06554	2.3
89.89339	1.5
91.05490	13.3
93.07062	25.1
95.04964	3.1
95.08604	19.3
97.02899	5.2
97.06544	2.8
98.20718	3.7
98.97581	4.5
99.08108	3.5
103.05480	5.6
105.07045	25.6
107.04987	7.5
107.08606	23.9
109.02898	14.9
109.06532	5.9
109.10192	16.7
111.08086	6.7
115.05460	3.3
119.08599	36.0
121.06547	4.5
121.10164	11.8
122.03712	3.0
123.04482	5.6
123.08056	8.7
123.11710	9.6
125.09692	2.6
127.03918	3.1
131.04926	7.1
131.08603	3.0
133.06512	3.7
133.10139	25.9
135.08119	2.7
135.11700	32.9
137.05995	58.0
137.09602	11.3
139.03937	5.7
145.06541	2.7
145.10162	2.1
147.04459	2.5
147.11716	13.6
149.05988	4.2
149.09554	1.7
149.13268	45.1
149.14386	3.3
151.03951	5.3
151.07530	7.2
151.11169	1.8
153.05508	2.2
161.05975	5.8
163.07573	6.9
163.14839	2.0
167.07123	14.8
167.08360	2.5
175.07544	6.0
175.14844	67.4
177.05417	2.2
177.09148	2.8
179.07047	1.9
179.08603	1.9
181.04950	1.9
187.07556	2.1
188.13040	1.6
189.09186	2.5
191.07022	14.5
192.07793	2.5
193.08636	16.2
193.15906	100.0
205.08568	4.1
207.08093	2.0
209.05876	1.8
211.07536	2.0
211.16962	27.3
229.14494	2.3
247.07611	2.2
248.08324	1.8
251.07133	3.0
263.06876	1.8
263.10812	3.3
264.07568	2.0
265.08597	2.3
285.10297	4.1
291.10172	2.1
295.09781	4.1
295.13275	3.2
297.11234	2.7
299.09109	3.5
305.11710	5.0
308.10449	2.1
309.11282	5.1
313.11569	4.9
314.11542	2.9
323.12650	5.8
327.12268	6.2
329.13837	5.1
337.14490	2.3
341.13849	12.9
343.15247	2.0
355.15442	4.7
373.09210	2.1
373.13104	5.5
373.16525	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	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.01875	2.9
55.05515	8.0
56.05042	21.8
57.05370	6.2
57.07080	2.3
61.02945	2.3
64.94413	2.4
67.05521	11.9
69.03438	7.7
69.07064	5.5
70.97269	4.1
71.04996	4.1
79.05498	9.4
81.03443	3.2
81.07077	15.2
83.04987	6.8
85.02916	15.5
85.06556	7.1
86.09743	4.0
91.05501	10.2
93.07069	20.1
95.04976	43.1
95.08609	21.7
97.02899	5.1
97.06520	3.3
99.08106	100.0
105.07046	12.6
107.04990	5.8
107.08605	20.3
109.06509	4.9
109.10168	32.7
119.08582	27.8
121.02847	19.0
121.06538	2.5
121.10145	10.5
123.04425	11.9
123.08109	4.4
123.11684	5.0
127.03974	3.7
131.08572	2.5
133.06540	4.3
133.10144	87.7
133.11090	5.0
135.04399	2.5
135.08064	5.1
135.11723	26.3
137.06030	16.5
137.06926	2.7
137.09637	44.3
139.03908	2.8
145.10097	3.4
147.04416	5.2
147.08029	3.4
147.11705	4.3
148.04765	2.7
149.05991	4.1
149.13269	5.7
150.06316	3.0
155.10687	17.5
161.05978	4.3
161.09593	2.9
163.07599	3.0
165.05504	8.7
166.05850	7.1
167.07068	3.4
175.07532	4.0
175.14835	36.5
177.05464	23.5
178.05836	24.7
193.08739	2.7
193.15892	69.5
201.09117	3.1
211.16939	77.8
220.09685	12.3
221.09996	22.0
235.17093	2.7
239.97733	2.8
299.14902	8.1
330.10532	7.7
337.20148	2.4
341.13800	3.2
355.17276	3.5
373.09579	4.4
373.14056	19.7
373.18744	24.9
373.22333	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	374.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
56.96557	0.7
57.03432	3.7
63.58812	0.7
69.03429	3.5
70.06598	0.8
71.01344	3.6
71.04977	0.9
71.53287	0.9
73.02922	6.5
75.04490	0.8
78.03438	4.5
80.05016	3.1
81.03413	1.8
81.71325	0.6
83.01340	0.8
84.04507	0.8
85.02904	15.2
95.01325	4.7
96.04500	2.3
97.02878	2.8
98.97584	3.3
99.00794	0.9
99.04498	0.7
99.16901	0.7
100.03436	0.6
101.02387	2.0
103.03947	2.3
106.02911	19.5
109.02924	1.0
110.06042	2.2
112.42525	0.6
113.02368	4.8
116.98621	1.9
124.03953	100.0
125.04282	1.2
127.03916	3.4
130.06525	53.3
131.03384	2.1
132.08043	1.7
133.19173	0.9
137.05980	4.8
138.06331	2.7
141.01822	11.2
145.04947	1.2
145.08783	0.7
147.04407	1.1
148.07571	4.0
157.31058	0.8
158.06007	5.8
158.99586	1.2
159.02908	2.1
163.04207	1.1
176.07048	10.5
179.17003	0.7
180.06557	17.2
180.08070	1.3
185.02908	1.0
194.08122	20.4
195.12239	0.8
198.07613	94.7
199.07973	1.1
213.04265	0.8
231.05386	1.7
252.52159	0.7
254.10124	1.0
272.11221	0.7
349.47351	0.7
366.56140	0.7
374.10580	12.4
374.14474	1.9
375.09518	1.2
393.10559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
56.96576	6.2
57.03446	5.1
61.02929	39.0
62.16188	2.5
67.05515	5.1
69.03432	6.8
71.01346	2.3
73.02917	19.6
75.29306	2.3
79.05490	5.0
79.56384	2.3
81.03418	9.2
81.07066	5.0
83.08611	2.8
85.02911	68.2
91.03960	34.0
91.05481	3.2
95.01351	17.1
95.08620	5.5
97.02892	28.8
98.21523	6.4
98.97633	3.7
101.02367	5.9
103.03954	7.9
107.08597	2.5
108.84689	2.8
109.02890	2.7
109.10159	5.2
110.97575	2.5
113.02386	14.7
121.55692	2.6
127.03893	16.2
131.03400	3.9
135.11740	2.7
137.05997	15.7
138.06313	6.9
141.01831	100.0
145.04971	23.9
145.10112	3.1
151.07602	2.6
159.02905	40.8
163.06032	51.8
177.03992	7.4
177.09134	2.6
203.75099	2.5
243.09058	4.3
255.09091	6.7
267.09094	7.2
273.15182	2.8
285.10114	7.6
287.11612	2.9
306.12036	2.7
339.09430	2.8
349.15781	2.8
374.12955	6.2
374.18512	3.5
375.25955	2.3
399.70554	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	375.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01880	0.6
56.96580	0.4
57.03440	0.6
61.02932	0.4
66.70639	0.2
69.03432	2.9
69.62080	1.6
71.05009	0.5
73.02918	0.6
81.03437	3.1
84.94326	0.2
85.02913	5.3
87.00846	1.5
91.05463	0.4
93.36622	0.3
97.02893	1.8
98.97595	0.8
99.04478	1.0
105.01865	1.2
107.08603	0.6
109.02894	3.1
117.01894	0.3
119.08599	0.5
121.10125	0.4
127.03930	100.0
128.04292	0.5
129.01808	0.3
135.07942	0.3
137.05988	0.9
145.04962	1.5
149.09613	0.5
158.99765	0.2
159.02948	1.9
161.06012	0.3
165.05609	0.3
167.07097	0.6
177.09131	0.4
187.04393	0.3
191.65916	0.2
195.10197	1.1
213.11227	2.2
231.05142	0.5
241.04056	0.3
375.12650	1.2
375.16168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1052
Annotation	Casticin
Peak:m/z	Relative Intensity
56.37142	4.0
57.03430	4.6
57.18444	3.6
61.02911	3.6
69.03430	7.6
71.04960	4.0
71.53007	5.8
73.02902	4.7
80.03260	3.6
85.02911	22.4
86.81557	3.5
90.58495	3.4
97.02879	8.7
105.50214	3.7
119.01932	9.1
127.03872	8.2
143.01878	5.6
145.04918	7.1
155.01895	4.6
181.46201	4.0
203.04031	6.0
204.07321	8.5
213.01669	5.6
233.11198	4.4
245.05110	4.6
375.10074	100.0
376.09775	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	375.1651
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
55.01872	2.4
55.05500	1.7
56.96556	1.4
57.03437	1.5
59.05001	1.2
61.02915	2.0
67.05476	1.1
69.03426	8.3
69.07041	1.5
70.04070	2.3
70.10165	4.0
72.08153	2.4
73.02911	2.2
76.90944	1.1
79.05496	3.7
81.03410	3.4
81.07076	2.0
83.04965	1.5
85.02425	1.7
85.02909	19.3
86.09708	4.3
91.05480	5.4
93.07043	8.8
95.04983	2.1
95.08617	1.8
97.02918	6.5
97.06518	1.3
98.97587	4.1
99.04469	1.5
99.08133	1.2
102.30667	0.9
105.07027	10.1
107.04958	1.3
107.08598	24.9
109.02875	4.5
109.06536	1.6
109.10152	1.3
111.04407	1.3
116.98623	1.6
119.08585	18.4
119.50012	1.0
121.02867	2.9
121.06545	2.0
121.10158	12.8
123.04453	1.1
124.07613	1.2
125.07153	1.2
127.03904	4.4
131.05014	1.6
131.08582	10.0
133.06482	4.3
133.10123	4.1
135.04454	1.5
135.08072	7.7
137.06012	7.2
138.09143	1.6
139.03893	1.4
145.04924	1.8
147.08072	3.9
149.09637	16.4
151.07533	3.7
153.01854	1.7
153.05486	1.3
153.09070	1.4
158.99712	1.5
159.08073	2.0
159.85440	1.2
161.05988	1.9
161.84019	1.3
165.09154	5.4
167.07018	2.1
167.10703	4.3
177.09106	21.1
195.07692	1.1
195.08209	1.2
195.10158	19.2
213.11227	100.0
214.10643	7.4
219.01822	1.1
237.02902	1.1
258.66681	1.0
261.09448	1.6
290.86929	1.3
303.43369	1.3
343.10028	1.9
360.09802	1.7
375.12503	25.1
375.16266	13.4
375.66745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
53.57399	3.5
53.94847	3.8
55.05515	7.7
56.96568	40.1
57.03435	5.8
57.07069	10.5
61.02931	19.5
67.05505	23.8
69.03435	7.0
69.07066	13.3
70.06583	13.2
71.04964	3.6
71.95277	5.2
73.02933	8.0
79.05498	29.7
81.07085	20.5
83.08633	3.8
85.02921	9.0
88.07632	14.0
91.03946	5.1
91.05462	20.9
93.07053	25.5
95.08612	22.0
97.02905	13.6
98.97607	22.3
101.02365	6.1
102.09187	10.3
103.03968	4.8
105.07027	18.2
107.08603	15.4
109.10168	10.5
112.99202	4.7
116.98635	7.3
117.07068	4.6
119.08602	14.0
121.10152	15.0
123.11683	4.5
127.03960	5.8
131.08568	5.6
133.10126	16.3
135.11740	18.5
137.69887	3.6
145.10095	4.8
147.11635	5.8
149.01244	7.3
149.13274	5.7
158.99640	7.7
171.11722	3.8
177.00711	9.7
185.04874	5.8
199.06442	20.3
211.06531	4.5
215.88971	3.7
217.07524	25.6
225.07985	3.8
229.07500	6.8
237.08054	12.0
255.09093	100.0
255.15797	5.9
256.09378	9.4
259.20663	11.8
265.37396	4.1
273.10107	57.6
276.13126	6.3
277.21780	8.7
278.10666	21.6
289.09711	4.1
296.11530	4.4
297.09747	4.5
312.32773	9.7
313.32953	40.6
315.16354	13.6
333.17441	19.3
333.24442	5.1
356.18912	6.5
366.18683	13.2
366.69119	6.4
374.36316	16.2
375.18771	5.1
375.36679	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.05509	5.8
57.07059	2.0
67.05491	2.2
68.51218	0.6
69.03423	2.4
69.07072	9.8
69.32942	5.4
71.04994	1.0
79.05500	3.3
81.03429	0.7
81.06594	0.9
81.07058	9.2
83.08614	6.9
85.02913	5.3
85.06542	2.7
90.74775	0.7
91.05474	1.5
93.07044	9.8
95.08616	22.5
96.46147	0.6
97.02888	1.8
97.10169	4.2
99.07504	1.0
99.08098	11.8
105.07027	2.6
105.11520	0.7
107.08599	28.2
109.02862	0.9
109.10159	6.3
110.81477	0.8
111.08096	5.8
112.37399	0.7
113.09679	1.6
121.10150	45.3
123.08036	0.9
123.11671	1.6
125.09628	5.3
125.13255	0.9
127.03920	1.1
135.11705	6.6
137.06013	1.0
137.13248	5.7
139.11172	1.1
145.04895	1.0
149.13261	3.3
177.16397	100.0
178.16701	0.7
195.17459	17.5
196.17506	0.6
213.18503	31.8
242.14397	0.6
244.31924	0.6
266.08517	0.7
347.40311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04120	1.5
52.69473	1.4
55.05504	5.4
69.03436	3.0
69.07069	12.1
71.04984	2.3
71.49709	3.1
79.05483	3.8
81.07064	12.9
83.08609	5.8
85.02898	3.8
85.06573	2.3
90.76698	1.6
91.05474	3.3
93.07049	11.0
95.08612	23.0
97.10134	3.9
99.08105	15.4
105.07082	1.6
107.08598	23.7
109.10172	6.0
111.08081	5.4
113.09674	3.3
121.09326	3.3
121.10155	45.5
121.11034	2.6
125.09621	3.4
135.11708	10.0
137.13263	4.2
147.05893	1.6
149.13297	3.4
151.95001	1.6
177.16394	100.0
195.17432	19.6
213.18492	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	375.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97194	1.0
52.65310	1.0
53.03931	1.2
55.01866	1.8
55.05512	5.8
57.07087	1.5
66.33038	1.1
67.05524	6.0
69.01871	1.0
69.03426	4.0
69.07079	13.2
69.87360	3.0
71.05003	2.7
71.98883	1.2
79.05487	3.4
81.07064	13.2
83.04969	1.1
83.08629	6.8
85.02898	6.8
85.06533	2.5
90.42337	1.1
91.05464	2.7
93.07056	10.7
95.08056	2.0
95.08620	27.9
97.02866	1.7
97.10173	5.9
99.08113	16.6
105.07030	3.7
107.08617	29.5
109.10169	10.4
111.08096	5.7
113.09687	1.1
118.13624	1.2
119.08573	1.4
121.10155	47.5
123.11694	3.3
125.09618	5.0
127.03916	2.1
135.11699	9.2
137.05969	1.4
137.13283	6.1
145.04869	1.6
149.13269	4.1
161.06013	1.3
167.07027	2.0
177.09120	4.0
177.16406	100.0
193.04962	1.4
193.08681	2.5
195.17480	21.5
196.07574	1.7
213.18532	37.5
219.10089	1.2
224.07123	14.9
281.08826	1.3
348.52237	1.2
351.68637	1.3
375.10840	1.5
376.11810	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	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01881	3.2
55.05512	6.5
57.85183	1.8
67.05492	4.7
69.03426	2.9
69.07075	11.0
70.58186	4.5
71.05001	3.8
73.02894	1.9
79.05485	5.9
79.63652	1.3
81.03418	2.3
81.07065	17.8
83.04961	1.5
83.08612	8.3
85.02892	4.6
85.06535	3.9
91.05476	6.3
91.55192	1.3
93.07053	13.3
95.04974	3.1
95.08615	30.1
97.02891	2.9
97.10161	4.8
99.08103	18.6
105.07005	4.2
107.07881	2.1
107.08595	30.3
109.10145	7.5
111.08076	7.9
119.08590	1.9
121.10146	52.1
123.11720	3.1
125.09613	5.5
127.03941	2.3
133.10147	2.5
135.11713	12.7
137.06004	3.0
137.09575	1.7
137.13232	5.3
145.04935	1.8
147.11597	1.5
149.05946	1.6
149.13289	3.7
167.07086	2.2
172.33310	1.2
177.09169	2.0
177.16396	100.0
195.17468	17.9
213.18529	31.9
234.97624	1.8
253.08771	1.5
315.09601	2.5
375.11719	2.5
375.15817	2.0
375.19907	9.7
379.21405	1.4
396.74173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
50.36319	1.5
53.03933	4.0
54.10222	1.5
55.01864	3.9
55.05516	19.7
57.03437	7.7
57.07084	3.1
59.04992	3.5
61.02932	11.6
67.05502	7.1
69.03081	2.2
69.03432	28.3
69.07073	39.8
69.58990	6.7
71.05000	10.3
73.02897	3.0
79.05482	3.8
81.03424	9.4
81.07067	24.7
83.04983	8.4
83.08621	7.9
85.02911	77.4
85.06068	2.3
85.06547	23.2
87.04458	4.6
91.03947	3.0
91.05470	2.4
93.07054	14.1
95.08615	41.1
97.02899	23.3
97.06535	5.3
97.10179	10.3
99.04454	6.0
99.08101	22.9
107.07954	2.3
107.08610	21.8
109.02885	7.8
109.10180	14.7
111.08082	3.6
111.11706	7.8
113.09638	8.8
119.08633	1.5
121.10155	34.5
123.11736	9.3
125.09676	6.7
127.03932	17.3
127.11237	2.1
135.11700	17.0
137.13264	18.4
139.11153	6.9
145.04980	14.4
149.13272	5.4
151.14848	5.8
153.12756	11.7
175.14787	1.7
177.16396	100.0
177.70078	1.4
193.15672	1.6
195.17464	42.1
211.16789	1.6
213.18523	67.8
224.06905	1.6
296.44070	1.4
372.55905	1.4
375.23602	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	375.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
54.37475	2.2
55.01864	6.8
55.05515	15.1
56.27239	2.3
57.03428	7.3
57.07061	4.8
57.15244	2.0
59.05000	2.5
61.02911	8.3
67.05512	12.5
69.03436	32.6
69.07070	39.8
71.04980	10.2
71.05811	5.8
73.02911	6.1
79.05477	6.9
81.03423	9.8
81.07056	36.5
83.04984	8.2
83.08608	9.3
85.02908	82.1
85.06545	19.3
87.04460	5.1
91.05486	4.8
93.07053	12.9
94.00926	2.5
95.04936	2.3
95.08607	41.1
97.02898	25.5
97.06522	5.4
97.10190	12.6
99.04445	6.3
99.08090	21.7
105.07027	8.4
107.08597	30.5
108.80087	2.3
109.02878	12.9
109.10164	20.0
111.08054	3.3
111.11761	4.6
113.09639	7.4
119.08578	6.0
121.10149	37.1
123.04442	3.0
123.08046	3.3
123.11726	10.5
125.09648	10.7
127.03896	18.3
131.04918	2.8
133.10146	4.8
135.11710	20.8
137.06026	3.9
137.13277	22.7
139.11188	8.4
145.04965	14.2
147.11697	3.5
149.13260	6.1
150.29932	2.1
151.14827	6.7
153.12729	11.7
161.05902	2.8
165.06979	2.5
167.07057	7.2
175.07556	2.6
177.09160	15.7
177.16397	100.0
181.08627	2.1
193.08554	4.6
195.17445	45.6
205.08638	8.6
211.07558	2.6
213.18530	55.6
215.32280	2.2
223.17085	2.1
224.07033	6.3
303.23212	2.9
313.10556	7.5
345.13367	3.7
375.23825	9.8
376.11972	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	376.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58203	0.2
64.17234	0.2
69.07082	0.2
70.06591	0.3
71.53816	0.3
74.60017	0.2
81.30360	0.2
86.09676	0.3
91.05437	0.3
93.07035	0.3
95.08565	0.3
105.07007	0.2
107.08595	0.5
119.04900	0.5
119.08552	0.2
121.10152	0.3
122.06533	0.2
122.10465	0.3
123.04414	0.8
133.17526	0.2
142.06485	0.3
147.04382	1.3
147.34502	0.2
167.07271	0.6
168.08105	1.6
170.05991	0.6
178.16711	0.7
180.08054	0.4
193.07120	0.2
195.00215	0.2
196.07574	11.1
196.17751	0.2
197.08365	1.0
200.80185	0.2
200.96710	0.2
212.07066	6.0
212.09013	0.4
214.18916	0.3
224.07054	100.0
225.07727	3.4
236.07106	0.8
254.08151	2.2
355.90033	0.2
358.10495	0.4
376.11783	26.3
377.12045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	0.3
69.22860	0.5
69.23261	1.5
81.07044	0.5
82.07422	0.3
91.05464	0.3
94.07401	0.2
95.08604	0.4
96.08961	0.3
97.17711	0.2
108.08932	0.3
109.10126	0.8
110.10452	0.6
119.04956	1.2
119.08571	0.3
120.08902	0.3
121.10103	0.4
122.10473	0.4
123.04422	1.7
135.11682	0.7
136.11981	0.6
142.06516	0.4
147.04417	2.0
158.72519	0.2
167.07259	0.6
168.08115	1.6
170.05986	0.8
176.15140	0.4
177.16408	0.4
178.16733	0.9
194.16261	0.3
196.07584	11.0
196.17845	0.3
197.08359	1.7
208.07603	0.2
212.07068	9.6
212.17238	0.4
214.18875	0.2
224.07063	100.0
225.07756	4.7
236.07033	1.2
238.08656	0.6
245.13358	0.2
253.07208	0.2
254.08134	3.4
358.10739	0.5
375.66730	0.2
376.11801	33.9
377.12106	1.0
388.08322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01296	2.1
55.01879	3.9
56.96564	3.2
57.03436	2.8
61.02919	7.2
69.03442	11.4
70.76792	4.3
71.04992	1.9
73.02919	2.6
79.05482	5.6
81.03411	7.6
83.44731	1.8
85.02917	38.6
91.03977	2.4
91.05494	12.2
97.02877	11.0
98.97601	6.2
99.04472	4.8
105.27216	2.1
105.41601	2.0
107.04948	12.6
109.02865	4.6
119.04961	30.6
121.02840	2.5
121.06506	6.6
123.04430	4.6
127.03940	13.1
135.04427	20.7
137.05965	25.4
145.04974	9.5
147.04431	64.5
149.06006	12.2
151.03938	5.6
151.07576	8.6
158.99626	2.1
163.07552	3.1
167.07063	40.4
177.00766	3.0
177.05516	4.5
179.07054	100.0
191.07031	2.8
195.06564	3.8
197.08183	2.4
207.06606	4.5
214.10788	3.0
219.01797	3.5
224.09233	9.7
377.09909	2.7
377.14221	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	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80066	0.5
53.03931	0.5
57.03424	1.3
61.02911	1.3
69.03425	3.2
69.07059	1.5
71.04990	1.1
71.45762	0.6
81.03390	1.6
81.07040	0.9
82.02299	0.5
82.06572	1.1
85.02903	5.4
89.83425	0.5
93.06979	0.6
94.06557	0.8
96.04505	0.5
97.02882	2.2
97.06526	3.0
99.04444	0.7
108.08086	0.8
109.02879	0.8
109.06528	0.7
110.06013	0.6
110.09658	0.8
122.09683	1.1
123.06820	0.9
123.08109	1.1
124.07594	24.7
126.09151	1.3
127.03891	1.3
136.11243	2.5
138.09146	18.7
139.03850	0.5
140.10698	1.9
145.04964	1.2
150.12781	10.8
152.10706	1.8
160.11153	0.7
161.09619	0.5
178.12277	9.4
179.10663	1.1
188.48846	0.6
196.13341	6.4
214.14384	100.0
215.14642	1.0
376.19592	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	377.142
Annotation	Ile-His-OH
Peak:m/z	Relative Intensity
55.05518	1.2
56.96569	1.8
61.99435	0.7
69.03433	1.3
71.54145	0.8
75.96785	0.6
76.26915	0.7
77.60957	0.7
85.02896	3.1
87.04452	0.7
97.02898	0.8
98.97600	4.0
99.04417	0.9
109.06621	0.7
110.97567	1.1
116.98613	1.9
122.67815	0.8
127.03931	0.9
128.98540	0.9
129.05544	0.8
137.05977	8.2
153.01793	1.2
158.99617	1.2
177.09111	0.8
215.05820	0.8
219.01801	1.3
237.02905	1.8
261.09448	3.4
271.53247	0.8
273.11288	0.9
377.14188	100.0
378.14624	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	378.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.4
53.48157	3.7
55.01880	4.1
56.96571	10.1
57.03416	5.1
69.03427	10.9
70.06593	4.7
72.08164	10.0
78.61191	3.6
81.03429	9.7
85.02929	39.1
86.09730	15.9
87.04478	4.3
95.04990	20.7
97.02903	16.8
98.06087	5.4
98.97598	14.2
107.04982	4.9
109.02899	8.8
110.97557	4.6
113.06036	4.1
116.98636	9.7
123.04436	25.6
125.02345	5.1
127.03914	17.0
129.05490	6.1
135.35562	3.6
137.06010	13.6
140.03609	5.9
140.04703	100.0
140.05745	7.4
140.65005	4.2
145.04999	5.9
147.04443	7.1
153.01868	19.6
155.07056	38.6
158.99808	4.2
177.00803	6.0
180.08801	6.5
181.04999	19.2
181.08559	6.7
199.06047	92.1
199.07794	6.8
216.12337	6.5
219.01839	6.2
237.02910	5.5
245.04953	5.4
378.11331	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29165	0.4
53.03937	0.7
55.01880	0.7
56.96553	1.0
57.03431	1.4
61.02945	1.1
69.03446	2.7
70.05138	0.5
70.05471	2.2
70.06586	1.8
72.04512	0.5
73.02921	0.7
78.67300	0.5
79.05483	1.2
81.03429	3.0
85.02905	11.0
86.09723	4.2
91.05478	1.4
93.07058	1.4
97.02902	3.8
98.97571	1.3
99.04429	0.6
103.05471	8.4
105.07059	0.7
107.04971	0.9
109.02874	1.3
112.07599	2.0
116.07095	0.9
116.98623	0.7
117.07046	0.6
119.04976	0.7
121.02838	1.0
121.06506	1.5
122.03681	1.8
124.07571	0.5
126.09196	1.5
127.03900	2.0
131.04988	1.3
135.08084	1.2
136.07567	0.6
137.05988	100.0
140.07059	1.1
143.03441	0.5
145.04964	1.4
145.06477	0.8
147.04416	0.8
149.06010	1.4
151.07555	1.6
153.01851	5.0
153.02975	0.8
161.05998	0.6
163.07561	6.0
167.07054	2.1
175.07571	1.1
177.00642	0.6
177.09177	0.6
181.08614	16.5
181.10229	1.0
191.06976	0.8
199.09677	1.3
205.08647	0.7
209.07990	0.5
215.06790	0.6
216.12381	2.0
237.02820	0.7
247.09720	0.6
284.11179	0.6
289.10861	0.9
303.01563	1.2
346.02774	0.7
376.98257	1.2
394.99426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45732	1.9
53.03943	2.2
56.96562	5.2
57.03423	3.6
67.05502	2.2
69.03424	7.1
69.57110	9.0
69.57515	3.5
70.06608	8.6
72.09246	1.7
73.02920	4.6
79.05486	5.3
81.03409	6.3
84.04520	2.0
85.02911	25.2
86.09715	6.4
87.93114	1.8
88.89647	1.9
90.52644	1.8
91.05468	6.0
93.07051	10.0
95.04959	3.4
97.02906	10.5
98.97595	7.0
99.04435	4.0
103.05479	2.7
103.58330	1.7
107.04955	3.5
109.02892	2.7
109.06516	2.5
109.10201	1.9
111.08131	2.2
112.07612	7.1
116.07112	3.4
116.98625	3.8
117.06965	2.2
119.04929	2.6
121.06525	12.8
123.04427	2.7
123.08035	4.2
124.07614	1.7
127.03916	7.2
136.07568	2.2
137.02342	4.4
137.05981	100.0
138.06400	2.7
139.07555	8.5
140.07100	2.3
145.04927	4.1
149.05980	6.4
153.01842	5.1
155.07074	2.8
163.07590	4.5
167.07051	39.7
175.07544	3.5
178.09413	2.0
181.08597	46.8
187.07451	2.0
193.24951	2.0
199.09674	41.7
205.08693	2.7
208.09674	2.0
219.01711	2.4
226.03868	2.3
237.02815	2.7
261.11307	1.9
289.10361	4.5
378.16687	3.1
379.15015	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	378.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.90141	1.0
55.01854	1.6
56.96569	3.2
57.03437	2.0
61.02922	1.8
67.05499	1.2
68.93073	0.9
69.03430	5.5
69.07075	6.2
70.06594	91.7
71.04994	1.5
71.35587	1.2
72.08161	1.1
73.02921	1.3
79.05482	1.2
81.03418	5.8
81.49432	0.9
83.04969	1.0
85.02905	13.1
85.06564	2.0
86.09708	100.0
87.04468	2.0
89.06116	1.0
91.05484	5.1
93.07035	3.1
95.04932	1.1
97.02892	8.5
98.06066	1.0
98.97586	4.7
99.04462	1.9
99.08046	1.2
103.05463	2.8
104.14477	0.9
105.07037	2.4
109.02887	8.8
109.06505	1.0
112.07606	81.3
115.05518	1.0
116.07138	2.4
116.98605	2.7
119.04931	1.2
121.06510	6.1
123.04418	1.2
127.03925	7.5
128.98593	1.2
129.05487	2.7
130.05827	1.0
132.10202	6.3
133.06497	1.9
135.08015	1.1
135.57950	1.0
137.05986	4.7
138.06345	1.5
140.07065	47.1
145.04990	2.3
147.04398	1.6
149.06001	2.3
153.01852	3.5
158.08153	12.8
158.99710	1.6
161.05969	1.6
166.06242	4.5
167.07060	2.1
173.04437	1.1
173.06059	1.8
175.07472	1.3
181.08601	41.3
192.05469	1.1
193.08633	2.1
199.09645	28.5
201.00552	1.0
205.08675	3.2
219.01790	1.4
230.13963	1.2
230.36221	1.0
237.02823	2.5
248.14948	1.8
258.13440	6.6
263.05765	1.1
266.10266	3.5
276.14398	6.3
277.03400	1.5
284.11298	10.5
288.10138	1.1
289.10443	2.2
294.15460	1.7
302.12326	2.7
360.20187	2.4
378.15900	1.8
378.21521	1.4
383.10211	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61819	1.6
53.03942	4.8
55.01871	2.8
55.05504	2.1
56.96562	2.0
57.03423	3.1
58.46365	1.5
59.59925	1.5
67.05508	4.1
69.03077	2.8
69.03429	32.5
69.07072	100.0
70.45000	3.4
70.45360	3.7
71.04990	3.5
73.02917	2.5
73.06543	2.2
73.54433	1.8
79.05473	2.5
81.03421	39.7
81.07069	3.8
83.04991	2.6
85.02905	32.2
87.04472	1.7
91.05481	3.3
93.07064	3.3
95.08598	2.9
96.08918	1.7
97.02886	20.0
97.06553	10.8
98.29209	1.7
98.97592	2.6
99.04443	7.0
105.07062	3.1
107.08606	2.9
109.02891	30.1
115.07568	16.6
119.08557	2.1
121.06423	1.8
121.10147	3.8
125.08335	1.8
126.45181	1.7
127.03931	39.6
133.10129	2.6
138.06331	2.2
139.03896	3.8
139.59979	1.7
145.04976	14.9
146.10507	2.0
146.74448	1.8
147.04382	2.0
163.11162	2.9
181.12167	2.3
234.48245	2.1
241.10718	68.2
241.13167	3.6
259.11755	35.7
290.56213	1.8
378.27310	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	378.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61819	1.6
53.03942	4.8
55.01871	2.8
55.05504	2.1
56.96562	2.0
57.03423	3.1
58.46365	1.5
59.59925	1.5
67.05508	4.1
69.03077	2.8
69.03429	32.5
69.07072	100.0
70.45000	3.4
70.45360	3.7
71.04990	3.5
73.02917	2.5
73.06543	2.2
73.54433	1.8
79.05473	2.5
81.03421	39.7
81.07069	3.8
83.04991	2.6
85.02905	32.2
87.04472	1.7
91.05481	3.3
93.07064	3.3
95.08598	2.9
96.08918	1.7
97.02886	20.0
97.06553	10.8
98.29209	1.7
98.97592	2.6
99.04443	7.0
105.07062	3.1
107.08606	2.9
109.02891	30.1
115.07568	16.6
119.08557	2.1
121.06423	1.8
121.10147	3.8
125.08335	1.8
126.45181	1.7
127.03931	39.6
133.10129	2.6
138.06331	2.2
139.03896	3.8
139.59979	1.7
145.04976	14.9
146.10507	2.0
146.74448	1.8
147.04382	2.0
163.11162	2.9
181.12167	2.3
234.48245	2.1
241.10718	68.2
241.13167	3.6
259.11755	35.7
290.56213	1.8
378.27310	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	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01877	1.0
55.05512	5.8
56.12313	0.6
56.96579	0.6
57.07071	4.5
67.05495	2.4
69.03415	1.9
69.07060	1.2
69.87225	2.3
69.87652	1.3
79.05486	2.7
81.07046	2.7
83.04990	4.7
83.08594	1.3
85.02889	2.7
85.06549	3.2
91.05469	1.5
93.07050	6.8
95.08604	6.5
97.02896	0.8
97.06516	1.9
98.20715	0.7
99.95607	0.6
105.07030	2.3
107.08594	11.3
109.06501	1.7
109.10151	2.2
111.04442	50.9
111.08073	2.4
113.05981	0.9
117.06998	0.9
119.08584	0.8
121.06533	1.5
121.10143	1.8
125.05994	13.8
127.03911	0.7
127.07566	2.4
129.05495	3.3
135.08049	6.4
135.11687	14.5
137.13278	1.7
139.07538	1.8
145.10118	9.6
153.12767	4.1
163.09840	1.1
163.11177	15.1
181.12231	100.0
182.12675	0.6
194.03790	0.6
199.13292	42.2
273.98932	0.6
378.12347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
56.96561	0.5
57.05817	0.6
61.02923	0.4
62.84197	0.4
67.05529	0.5
69.03435	2.2
69.07075	9.4
70.06600	11.8
71.04991	0.7
71.53070	0.5
73.02910	0.6
81.03425	2.6
81.07053	0.4
83.05004	0.4
85.02921	3.8
85.06527	0.4
86.09715	100.0
87.04485	0.8
91.05501	0.6
93.07079	0.6
97.02915	2.8
98.97604	0.9
99.04462	1.0
109.02895	3.6
112.07616	11.7
116.07121	0.4
121.06525	0.8
122.03677	0.7
127.03928	2.7
128.04251	0.4
132.10223	6.7
137.05988	14.6
138.06328	2.0
140.07085	6.2
145.05034	0.9
145.06461	0.6
147.08084	0.5
153.05495	0.4
158.08130	1.6
167.07121	0.6
173.05991	0.7
173.09709	0.4
174.11287	0.4
175.07628	0.5
181.08620	7.8
187.02394	0.3
190.84642	0.4
192.07967	0.4
199.09697	1.8
205.08591	1.7
207.10121	0.4
230.13956	0.6
235.09776	1.0
240.12407	1.4
248.14940	2.0
258.13416	7.0
266.10342	0.4
276.14456	5.4
284.11276	1.9
287.34674	0.4
294.15619	1.2
307.11923	0.5
360.20203	3.3
378.21265	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	378.3005
Annotation	Madangolide
Peak:m/z	Relative Intensity
50.71691	0.8
53.03933	1.9
55.05500	0.9
56.96558	1.9
57.07076	5.6
58.06601	1.9
60.95547	0.9
67.05498	1.9
69.07081	1.3
70.06591	12.9
71.08630	2.1
71.54671	1.2
79.05518	1.4
81.07039	1.5
88.07632	18.4
94.21246	0.8
95.04982	1.3
95.08642	1.5
98.97551	1.5
102.09185	13.3
105.03396	51.1
105.06987	1.2
109.10116	1.0
123.27929	0.9
134.82913	0.9
149.05984	85.6
150.06403	0.9
178.05186	0.8
212.23732	1.0
229.07475	2.8
247.08452	1.4
256.26358	57.3
257.26663	0.9
378.30032	100.0
379.30344	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	379.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	1.1
54.10909	1.0
55.01867	1.3
55.05506	1.7
55.43851	0.9
56.96541	1.1
57.03436	1.4
62.41861	0.9
67.05505	2.0
69.03425	3.8
69.07061	3.8
70.06567	1.0
71.04996	2.0
71.54743	1.1
73.02937	1.2
79.05488	1.3
81.03421	2.9
81.07049	1.1
83.04959	2.1
84.04492	2.9
85.02900	6.3
85.06519	1.4
86.06055	1.3
86.09696	2.9
86.64218	1.0
87.10034	1.2
88.11261	2.3
89.06040	1.2
91.05467	2.6
93.07022	3.1
94.06571	2.4
95.08607	1.7
96.04523	2.1
97.02887	4.2
97.06543	1.7
98.97585	4.1
99.04447	1.5
101.06009	1.9
108.08096	1.1
109.02879	1.4
109.10154	1.1
114.05556	1.8
116.05023	0.9
120.04474	2.3
122.06008	4.4
124.05029	2.0
126.09145	1.1
127.03923	2.6
130.05009	5.4
134.06046	1.3
134.09694	1.1
135.08064	1.2
136.03979	1.6
137.05974	2.1
138.01840	1.2
138.05521	1.3
138.09087	1.5
140.07071	1.4
141.05455	1.5
145.04979	1.7
149.04655	1.3
151.11151	1.0
153.01866	2.3
154.08640	1.5
156.13808	1.9
158.99596	1.3
160.11230	3.1
162.09108	5.7
166.07321	1.6
172.06221	4.7
172.07428	1.4
176.89049	1.0
177.85458	1.0
179.06992	1.3
180.10246	5.0
181.04895	1.4
181.08574	3.2
182.09004	2.7
190.05022	1.5
196.06081	2.3
199.09715	1.8
199.22118	1.3
200.09999	3.4
200.12848	5.1
202.07211	2.7
203.08086	3.0
204.08832	12.1
206.04318	1.2
207.06531	1.3
208.06068	2.9
208.09697	15.0
210.09352	1.1
210.11266	2.2
215.08086	3.1
216.08817	100.0
217.09563	5.9
218.10329	10.3
224.05621	1.6
225.06461	3.4
226.07210	2.6
227.07962	1.3
228.08868	2.3
229.09737	2.3
230.10405	12.2
240.08794	24.3
242.10356	6.4
244.08377	2.8
245.06958	1.4
246.07565	2.1
246.09854	14.1
256.08215	1.3
258.09695	6.3
267.11295	1.4
268.08472	1.4
283.09402	2.3
286.09344	36.3
287.09848	1.2
290.10513	1.2
295.16547	3.0
315.12012	2.8
329.10767	1.1
333.13043	2.9
334.17538	3.1
343.13086	5.3
343.18576	4.2
344.11203	3.0
344.97195	1.0
347.11407	3.4
348.11588	1.0
361.13611	8.5
379.13785	59.2
379.19080	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	379.1503
Annotation	Kahakamide A
Peak:m/z	Relative Intensity
53.03948	2.6
55.05509	2.6
56.20544	1.6
56.96572	2.5
61.02918	2.9
62.69873	1.4
63.14993	1.5
65.03947	1.6
67.05513	5.8
68.05049	2.3
69.03429	6.6
69.07087	4.7
70.64953	3.9
71.04997	2.0
73.02891	1.7
77.48595	1.5
79.05493	3.1
79.13940	1.6
80.05036	3.0
81.03437	4.8
81.07062	2.8
84.04512	4.5
85.02927	11.7
86.09727	3.1
86.81564	1.5
87.04459	2.3
88.11281	5.0
91.05506	7.6
93.05795	2.0
93.07041	8.9
94.06557	10.3
95.04975	5.3
95.08640	2.0
96.04514	12.5
97.02924	5.7
97.06538	1.7
98.06059	1.6
98.97581	7.5
102.71062	1.6
108.08139	4.4
109.02904	4.5
109.06544	1.9
110.06055	3.2
111.08103	8.4
112.07582	1.9
116.98643	3.1
117.07032	2.5
119.08627	2.1
120.04475	10.6
121.06570	2.7
122.02389	3.0
122.06051	21.4
122.63285	1.5
123.04427	3.1
124.07656	2.2
125.05987	2.3
127.03947	5.1
130.05043	6.1
134.06068	2.0
134.09651	4.9
135.08031	2.0
136.03955	6.9
136.07597	9.0
137.06003	4.3
138.01874	6.8
138.05519	8.8
138.09204	2.6
139.07562	2.9
140.07080	15.6
145.04932	3.1
146.02461	2.1
147.09244	1.6
148.03972	4.2
149.05972	2.2
150.05556	1.9
150.09187	1.6
152.07162	2.2
152.10735	4.8
154.08684	7.0
154.12273	1.7
156.13898	4.4
162.05598	4.7
162.09166	32.6
163.03857	1.7
163.06288	1.9
163.07489	3.5
164.03403	7.7
164.07103	2.8
166.05090	3.1
167.07132	2.7
172.06099	19.0
177.00708	1.6
178.05070	2.8
180.06532	2.8
180.10216	32.7
182.04520	1.8
185.08185	2.0
190.05026	10.7
190.08650	6.5
196.06061	9.5
196.07600	1.9
198.07674	2.4
200.12793	11.3
201.07526	1.5
206.04567	5.1
207.06628	2.7
208.06100	7.3
208.09721	84.0
210.09418	2.6
210.11357	4.7
216.08815	11.9
224.05531	3.7
237.02719	3.1
237.10300	4.0
240.08788	5.4
251.08199	3.6
252.09018	2.3
253.09755	2.6
255.08319	1.8
255.11263	2.7
256.09872	2.8
265.09497	1.8
266.08133	3.3
266.10657	2.2
267.08392	1.9
267.11163	10.3
269.09433	3.6
273.12457	2.0
281.09222	1.6
283.10727	8.8
284.09189	3.9
285.12247	2.4
286.09467	4.7
293.09241	3.3
295.16629	3.6
297.12372	1.8
298.10751	2.2
301.11938	4.8
302.10104	2.3
311.10266	5.8
312.08887	5.5
316.11734	2.9
325.12057	5.5
329.11325	12.4
330.09766	3.6
333.14417	2.5
343.12885	31.4
343.18799	8.8
344.11392	14.4
347.12457	14.4
361.14044	35.0
362.12280	4.3
379.15024	100.0
380.15469	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	380.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57814	0.4
52.01324	0.4
52.38006	0.5
55.01863	2.6
55.05514	0.6
56.96562	1.2
57.03419	0.7
67.05505	0.6
69.03417	1.8
69.69418	0.4
70.66194	0.6
70.66532	0.9
72.08143	2.4
79.05482	1.0
81.03416	1.6
81.07056	7.9
85.02901	3.8
85.06521	0.7
86.09689	1.6
87.04438	0.5
89.76168	0.5
91.05482	0.6
91.58138	0.4
93.07018	0.6
95.35891	0.4
97.02895	2.9
98.97572	1.3
99.04459	0.5
105.07024	0.4
105.21100	0.4
109.02881	1.3
109.06516	4.7
109.10095	0.4
111.04452	0.5
116.98620	1.0
120.08124	0.6
121.02861	1.1
125.02367	3.5
127.03893	2.5
135.50993	0.4
137.05984	100.0
138.06311	1.1
143.03416	1.4
145.05014	0.9
153.01903	0.6
165.05496	2.5
174.05280	1.2
183.06538	48.2
183.10114	1.9
190.05019	0.5
197.04561	0.4
201.11261	0.7
219.01747	0.6
237.02922	0.5
251.05580	0.6
269.06631	1.2
336.10495	4.2
338.16803	0.5
380.09726	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05496	3.7
57.03429	4.4
67.05505	8.8
69.03431	6.1
69.07054	3.9
70.06582	6.0
71.04996	58.5
71.54938	2.5
79.05502	13.3
81.03418	5.5
81.07070	21.4
83.04980	4.5
85.02927	17.6
85.06535	10.2
86.09692	7.0
87.04489	3.1
88.11270	5.7
88.80202	2.6
91.05499	8.1
93.07051	23.2
95.04966	5.0
95.08617	18.1
96.04453	3.3
97.02863	5.8
97.06522	5.8
98.97585	9.3
99.08068	3.3
103.25226	3.2
105.07027	11.0
107.08609	14.6
109.02869	5.7
109.06548	5.3
109.10158	5.8
111.08089	5.3
114.49625	2.3
119.04920	2.6
119.08611	7.8
121.10154	8.8
123.04430	8.4
123.08068	4.4
123.11725	3.8
124.07576	6.4
125.09672	7.7
127.03928	6.1
127.07588	3.4
135.11687	2.7
137.05995	3.3
137.09598	10.3
137.13240	3.9
138.06352	3.4
143.18965	2.6
144.08107	6.4
145.04904	3.0
147.04408	5.5
147.11679	20.5
149.13284	3.7
165.09090	4.7
165.12764	100.0
167.07086	3.1
181.04900	3.3
181.08618	3.5
182.05371	3.2
183.10181	4.7
183.13831	57.8
187.10629	3.5
196.07646	4.2
201.11281	7.7
218.08118	4.7
219.01833	3.5
245.09933	3.6
267.07663	4.8
285.08551	2.8
313.08200	3.9
331.09268	6.3
334.13733	4.3
345.95883	2.6
352.08975	6.8
362.13541	3.8
380.08377	16.5
380.14807	39.0
380.21350	4.6
381.15280	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	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
55.05502	5.1
56.96555	1.6
59.04997	5.2
59.76983	1.3
61.02917	5.2
64.06333	1.4
65.95014	1.3
67.05511	4.7
69.03428	4.4
69.07061	3.7
71.04991	3.8
79.05483	5.7
81.03419	1.9
81.07051	14.0
82.07373	1.4
83.08624	3.2
85.02905	14.9
85.06541	17.4
86.09724	1.7
91.05474	3.4
93.07065	7.0
94.07417	1.6
95.08618	12.5
97.02896	3.5
97.06547	2.4
98.97608	1.8
99.04451	2.4
99.08088	3.2
105.07024	9.7
107.07871	3.2
107.08597	59.7
108.08910	1.5
109.02885	1.9
109.06509	7.1
109.10148	5.7
110.76157	1.3
113.06008	2.5
119.08585	5.5
121.10148	37.5
123.08080	10.4
123.11721	25.4
123.73999	1.4
125.08755	2.9
125.09640	38.0
127.03931	3.1
135.11694	5.1
137.06006	2.7
137.09604	17.2
137.13210	2.4
138.05528	3.0
145.04996	3.0
147.11694	39.0
153.12759	2.4
158.10593	1.3
163.11240	1.6
165.12756	76.2
167.07013	1.6
183.13812	100.0
193.82512	1.5
201.14873	51.6
207.27649	1.4
218.11810	1.4
356.11914	4.3
361.71964	1.4
380.16812	2.3
381.15591	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	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28305	12.0
85.00784	3.0
85.69036	3.4
138.72386	3.3
139.59299	3.7
143.64284	3.1
224.94814	3.4
381.07986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64300	1.7
70.31979	5.4
73.12099	1.8
106.10886	2.4
188.49547	1.9
201.01630	2.4
381.07938	100.0
394.55130	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	381.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28819	9.4
53.03965	9.0
55.05497	10.1
56.96568	17.8
57.03426	15.7
61.02924	27.5
65.76876	9.3
67.05495	16.2
69.03426	53.3
69.07093	10.5
71.01350	14.4
71.04978	10.6
71.53871	16.9
73.02917	31.8
81.03417	49.3
81.07066	20.2
85.02909	100.0
90.10303	8.0
91.05469	11.7
93.07047	14.1
95.01360	50.3
95.01870	9.6
95.08569	14.3
97.02895	45.1
98.97605	19.7
99.04467	24.3
103.03956	35.1
105.07051	16.5
107.08567	22.0
109.02864	31.9
113.02370	8.7
119.08581	14.4
121.10141	10.4
127.03910	89.5
128.94901	9.3
133.04999	20.3
135.11681	9.4
141.01849	92.7
143.08640	9.7
145.04956	18.6
167.20316	9.9
182.98730	9.4
187.06049	94.6
191.02031	9.0
205.07121	69.5
254.57040	10.1
274.40915	10.3
347.28568	9.1
380.32751	15.4
381.18808	13.5
381.23563	19.9
390.28159	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	381.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10622	2.1
52.20314	2.0
53.03938	7.3
55.01871	2.6
55.43575	2.1
57.03436	7.1
61.02921	7.9
64.88116	2.2
69.03433	35.8
70.67633	2.3
70.78069	7.2
71.01350	7.7
71.05001	5.3
73.02908	9.5
74.16602	2.0
81.03416	55.9
83.01326	3.2
84.97711	2.5
85.02905	100.0
95.01331	34.2
97.02895	60.5
99.04435	13.6
101.02390	3.1
102.33556	2.4
103.03944	5.6
107.06074	2.2
109.02885	28.2
113.02366	4.4
115.03936	2.3
127.03915	47.6
141.01831	67.3
145.04962	22.4
158.04451	3.8
159.02921	6.4
169.04979	4.1
187.06000	35.0
193.05051	3.0
205.07101	22.8
219.07013	3.4
224.93529	2.4
310.50507	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	381.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08820	2.8
53.03943	8.7
57.03445	15.8
61.02922	13.5
67.05521	4.0
69.03439	34.1
69.56600	18.5
71.01374	14.7
71.04987	5.6
73.02928	27.5
81.03427	48.5
85.02914	100.0
86.73879	2.9
95.01341	50.4
97.02892	28.5
98.20749	4.3
99.00815	5.6
99.04445	17.5
103.03949	23.1
109.02894	33.7
111.04417	3.9
113.02363	19.1
115.03946	8.1
116.36514	3.1
119.36904	3.1
123.00858	3.0
127.03923	62.6
133.04971	11.9
141.01840	82.5
145.03931	3.8
145.04985	33.0
151.03958	3.5
155.03383	2.9
159.02892	5.5
169.01361	3.2
169.04898	5.0
187.06030	83.6
205.07074	58.5
229.07159	5.2
363.09271	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	381.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
56.96568	9.8
57.03433	2.0
58.29183	1.0
61.02925	2.7
69.03433	3.4
70.99880	1.0
71.01724	1.8
73.02916	2.2
81.03445	1.9
82.99871	1.8
85.02913	8.8
97.01380	0.9
97.02904	4.2
98.97591	26.7
100.33906	1.1
100.99226	1.6
101.00864	5.2
103.00603	1.5
103.02477	1.1
110.97569	6.3
112.99160	4.0
113.00872	2.4
115.00700	4.6
115.02433	7.3
116.98614	5.1
119.01915	4.5
123.10791	1.1
127.03936	2.5
128.98656	3.1
129.02229	6.8
129.04007	2.9
131.00163	3.1
131.01932	3.8
133.01791	2.5
133.03473	9.7
140.98560	1.7
141.02255	3.1
141.04073	1.3
143.00163	2.2
143.01877	5.6
143.05588	1.3
145.01707	2.2
145.03459	5.4
145.04921	2.1
146.99695	1.2
147.03276	3.0
147.05038	5.6
153.04004	2.2
155.00697	1.1
155.01912	8.1
157.01736	1.3
157.03479	4.2
157.84096	1.0
158.99701	7.1
159.03320	5.8
159.04984	7.9
161.02983	2.9
161.06680	1.0
167.02005	1.3
169.03433	1.6
170.99709	1.9
171.03313	3.2
171.05054	8.4
173.01434	1.2
173.02998	5.0
175.02849	1.4
175.04550	2.9
177.00728	2.8
177.04381	14.7
177.06125	8.7
179.02010	1.7
183.03491	2.5
183.05072	6.9
185.03050	2.1
185.06654	1.7
187.04510	1.5
189.00729	1.3
189.04369	2.2
189.06160	2.4
193.03589	1.7
195.05394	4.0
195.07181	3.1
197.06709	1.3
199.04494	1.2
201.00819	2.0
201.04361	6.8
201.06171	2.8
203.04094	4.2
205.03864	1.4
207.05040	1.3
209.62029	1.1
211.04594	2.3
213.06190	1.7
219.01787	11.8
219.05348	2.9
219.07185	20.4
221.05069	5.7
223.04892	1.9
225.06113	2.4
231.05132	2.0
231.07185	19.2
233.08730	3.7
237.02838	11.1
245.05089	11.0
255.07242	10.0
259.06561	2.1
261.05975	1.7
261.08328	3.8
262.08200	1.4
273.08209	5.3
279.09216	1.5
287.02579	1.5
295.07043	2.0
303.01334	2.1
304.01767	1.2
321.10672	100.0
322.10724	2.0
339.09589	19.6
381.06973	2.2
381.11746	8.8
393.12366	3.1
402.48218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26028	5.8
55.05504	9.4
56.96561	58.5
57.03429	13.9
57.07087	35.8
58.07409	7.0
60.17378	5.7
61.02912	21.9
66.78894	5.8
67.05510	35.0
69.03430	13.0
69.07061	22.9
70.57148	21.7
71.08627	27.6
71.95266	7.3
73.02926	14.3
75.47252	5.5
79.05486	25.2
81.03423	8.0
81.07075	40.7
83.08604	13.7
85.02910	31.0
85.10197	9.9
89.06036	80.6
90.06367	20.9
91.03943	17.2
91.05508	16.4
93.07055	34.8
95.08611	51.0
97.02910	18.2
98.20876	9.4
98.97591	16.3
101.02359	7.4
105.07018	30.3
107.00084	6.0
107.07093	7.4
107.08595	22.7
109.10172	14.6
116.98595	9.1
117.07037	10.3
119.08557	19.8
121.10141	37.3
123.08064	25.7
123.11715	13.5
127.03918	11.1
131.08560	15.6
133.08600	24.3
133.10138	20.2
134.08917	11.3
135.08034	9.2
135.11699	12.6
137.74887	6.5
145.10124	18.7
147.11685	22.0
149.13228	7.6
158.99699	6.7
159.11710	16.5
161.13222	17.1
173.13297	13.8
174.02097	5.5
177.11134	7.9
195.12282	33.8
196.12581	10.5
199.06490	12.3
201.16454	12.9
217.07501	9.5
219.17459	45.7
237.08052	12.0
239.09483	13.1
243.21201	7.7
251.08626	8.9
255.09044	54.6
265.07471	32.5
273.10156	22.0
283.08536	100.0
301.09601	87.2
306.10126	26.4
317.17874	17.8
324.11227	16.3
335.18909	8.3
335.25864	23.6
363.30762	24.1
364.31592	32.3
381.19217	13.3
381.23856	20.8
381.31430	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	381.3151
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
51.58033	0.9
53.03932	1.1
54.48281	0.9
55.05516	8.5
57.07054	3.8
67.05504	18.1
69.07063	12.3
69.35451	7.9
73.32352	0.9
79.05485	11.7
81.07056	34.5
83.08624	6.9
89.22938	0.9
91.05467	8.3
92.07050	0.9
93.06481	1.7
93.07043	26.9
95.08604	48.7
97.06539	1.5
97.10149	4.3
105.04497	1.2
105.07026	21.8
107.08595	30.5
109.10151	37.8
111.11706	1.2
117.06966	3.6
119.08580	26.5
121.10138	31.6
123.11721	14.0
127.11068	0.9
128.06233	1.1
129.06973	2.4
131.08551	10.4
133.10123	23.6
135.11688	21.3
137.13252	8.8
143.08574	4.0
145.10114	14.9
147.11688	16.6
149.13252	12.1
151.14822	2.6
155.08540	1.5
157.10136	10.0
159.11696	14.5
161.13268	12.9
163.14828	8.0
164.77591	1.2
169.10130	2.7
171.11662	12.2
173.13240	13.5
175.14825	12.2
177.16380	8.2
177.55016	1.0
179.14294	1.7
183.11748	4.5
185.13269	8.4
187.14813	14.4
189.16347	11.5
191.17952	8.7
195.11615	1.5
197.13287	4.5
199.14851	5.7
201.16393	8.7
203.17908	6.9
203.58858	1.1
205.19543	3.5
211.14815	6.5
213.16373	10.3
215.17935	9.9
217.19530	5.0
225.16394	6.1
227.17921	15.6
229.19518	13.1
231.21144	6.3
237.16388	1.2
239.17865	6.6
241.19504	19.7
243.21071	7.2
245.22734	2.0
253.19452	5.4
255.21016	4.9
257.22574	4.0
267.21094	3.7
269.22559	1.3
271.20572	2.6
273.22195	1.0
279.21103	1.8
281.22638	2.8
283.24176	1.2
285.25742	1.0
293.22635	2.8
294.23358	1.3
307.24240	1.9
311.27365	2.9
320.25043	1.4
321.25543	1.0
325.28857	1.6
333.25812	7.8
348.28192	9.2
363.30463	55.3
364.30847	1.3
374.09222	1.1
381.23663	3.5
381.31390	100.0
381.35260	55.5
382.31589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17440	1.2
53.03936	2.7
55.05504	8.3
57.07069	4.1
67.05503	22.3
69.07060	15.1
71.54518	1.8
71.54930	1.2
79.05490	15.9
81.07053	48.7
83.08611	10.0
91.05476	12.5
93.07037	36.7
95.08605	70.8
97.10171	5.7
105.07025	28.1
107.08590	41.1
109.06509	1.6
109.10156	53.3
111.08091	1.8
111.11678	2.1
117.07009	4.1
119.07710	1.6
119.08569	36.1
121.10142	41.5
123.11704	18.2
129.06996	2.5
131.08553	11.2
133.10129	27.7
135.10693	1.9
135.11685	29.0
135.44350	1.3
137.13246	12.2
141.06934	2.3
143.08525	7.0
144.09335	1.9
145.10117	19.8
147.11685	21.6
149.13266	17.0
151.14790	2.7
155.08530	1.7
157.10152	10.7
159.11679	17.1
161.13260	18.5
163.14821	11.9
165.16362	3.4
166.95128	1.3
169.10083	2.6
170.10876	1.3
171.11670	10.6
173.13254	15.8
175.14827	15.0
177.16393	11.8
179.14238	1.5
183.11647	5.8
185.13222	9.1
187.14819	21.2
189.16370	18.5
191.17952	14.7
197.13271	3.7
199.14870	6.4
201.16435	8.5
203.17973	8.5
205.19505	4.0
209.13252	1.6
211.14847	2.3
213.16403	9.2
215.17935	12.0
217.19530	4.2
225.16377	4.2
226.16920	1.4
227.17921	18.3
229.19539	20.1
231.21057	9.0
239.17979	8.5
241.19478	18.9
242.20187	1.7
243.21048	11.9
245.22636	3.0
253.19409	4.3
255.21063	5.4
257.22650	8.1
267.21072	3.7
269.22803	2.8
271.20667	3.0
271.24142	2.8
281.22516	2.1
285.25769	1.2
289.37466	1.4
293.22748	2.6
294.23260	1.5
333.25665	6.6
348.28125	7.2
363.30444	57.2
364.30850	2.3
381.23645	3.7
381.31372	100.0
381.35220	77.6
382.31570	3.7
382.35797	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	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03937	0.8
56.96562	1.2
57.03434	0.7
57.07067	2.5
57.66108	0.8
59.04992	1.4
61.02910	1.3
67.05494	2.1
69.03423	2.1
69.07051	2.9
70.02946	2.8
70.38447	1.8
72.04521	7.3
73.02920	1.9
74.02456	1.1
81.03428	1.5
83.04982	1.3
85.02918	6.0
85.06542	5.1
86.09700	1.8
90.05562	52.9
95.04964	2.9
96.08144	1.0
97.02891	1.8
98.02425	7.6
98.21432	0.7
98.97580	1.9
100.03965	1.1
102.92539	0.7
103.07564	3.4
109.02901	1.5
113.05992	1.9
116.03468	7.8
124.07597	8.3
127.03934	1.8
139.25314	0.7
142.08659	4.6
156.10304	0.8
160.09706	1.0
166.08611	0.9
174.11266	1.1
184.09695	10.3
185.11743	0.9
202.10756	19.6
220.11816	100.0
237.02908	0.9
327.38589	0.7
327.91437	0.7
383.09378	2.7
383.13406	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	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
54.14909	3.8
55.01863	7.2
55.05516	36.7
56.96567	3.8
57.03433	16.7
59.05005	51.3
60.31134	3.6
61.02926	7.8
67.05516	6.1
69.03427	53.1
69.07068	6.5
69.92155	12.7
69.92557	5.2
70.06574	4.6
71.05002	12.5
73.02915	7.5
73.06578	6.9
79.05502	4.9
81.03416	25.8
81.07056	8.2
83.04982	62.2
85.02905	68.9
86.09697	11.6
86.90994	3.9
91.05445	9.8
93.07040	4.5
95.05004	8.4
95.08617	9.1
97.02895	82.6
98.20820	4.6
98.97577	7.7
99.04446	17.7
101.06018	100.0
107.08598	6.0
109.02876	26.9
109.10165	6.6
110.97543	4.7
119.07054	46.6
121.10206	10.1
122.06013	6.7
122.84289	3.7
123.04445	5.5
124.07597	5.1
125.05988	3.8
127.03928	52.9
128.79242	4.0
131.04907	5.6
131.07150	4.0
145.04958	62.6
161.08388	6.7
163.06004	5.6
167.10675	4.9
172.07576	84.6
174.09145	5.5
185.11725	6.8
187.06015	5.3
202.08626	34.9
203.09158	4.4
207.07689	5.3
209.08171	5.2
220.09683	87.8
227.09164	13.2
245.10246	63.3
263.11349	23.6
364.18576	6.6
366.13074	9.0
368.12357	5.8
382.15060	54.6
382.19257	7.0
383.15707	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
56.36824	1.5
59.83080	1.7
61.02923	4.5
69.03447	9.1
69.19468	1.5
69.63513	3.7
69.63956	5.4
73.02930	1.6
81.03423	6.0
82.02912	1.9
85.02430	2.3
85.02914	28.3
94.06606	3.8
97.02889	6.7
98.21574	2.9
99.04432	2.7
103.03932	3.0
106.06554	1.6
109.02883	2.7
115.05453	2.0
117.05752	2.0
118.06540	5.7
122.89175	1.6
127.03940	3.8
130.06535	61.5
130.07512	3.3
132.04469	16.3
132.08087	4.2
134.06003	2.0
142.06552	3.2
144.08092	26.3
145.07597	22.0
146.06015	10.1
148.07574	3.5
154.06526	5.3
155.06061	1.8
156.06606	2.1
156.08066	3.9
157.07620	61.6
157.08894	3.5
158.06030	51.4
158.08136	1.9
159.09236	8.3
162.09152	1.6
169.07597	7.9
170.06032	3.5
171.09218	6.7
172.07515	9.9
173.10869	2.0
174.05547	7.1
175.08685	53.2
176.07005	1.8
181.07643	4.4
182.08405	3.9
183.09192	14.9
184.06229	1.9
184.07703	2.6
185.07121	13.4
186.05432	2.4
186.07895	2.6
187.08598	1.9
188.07065	2.1
197.07172	2.4
198.05573	3.0
199.08728	11.1
200.07068	19.0
203.08163	100.0
204.06566	4.9
207.09267	3.2
209.07143	7.0
215.08186	3.9
216.08939	3.9
217.09755	32.3
221.09227	53.8
224.07240	2.3
227.08244	11.1
228.06555	2.4
231.07619	7.9
243.07542	2.2
245.09239	23.7
257.09216	2.0
263.10303	54.0
266.08350	1.7
269.09171	2.0
275.10278	2.3
299.10382	5.7
301.11951	1.7
311.10147	2.1
329.11368	5.1
347.12372	10.0
348.10718	9.5
365.13461	39.4
365.18054	2.3
383.14487	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	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.05518	9.7
55.19122	0.7
56.96570	2.0
57.03442	2.5
57.07090	1.6
59.05019	5.3
61.02924	1.0
65.03944	2.0
67.05513	100.0
69.03436	1.0
69.07082	4.2
69.16255	7.9
70.81187	0.6
71.05005	3.1
79.05506	2.9
81.07066	15.3
83.08626	6.7
85.02921	1.9
85.06553	1.8
91.03981	0.8
91.05492	6.7
91.51914	0.7
93.07067	5.1
95.04989	0.9
95.08605	6.3
97.02919	1.0
97.06574	0.8
97.10145	0.8
98.21623	1.2
98.97610	0.9
105.07071	2.2
107.08580	3.9
109.10172	74.0
111.08126	2.1
112.05645	0.8
119.08602	5.9
121.10181	1.7
123.11674	0.8
127.06638	0.7
127.11234	0.7
132.92976	0.7
133.10184	1.4
135.11746	2.4
137.09669	2.8
143.08450	0.7
147.11726	1.4
149.13361	0.9
155.10675	5.3
163.11253	0.9
165.09074	0.8
173.11760	24.8
173.51302	0.7
181.12263	1.0
187.68384	0.7
193.13718	0.7
217.07433	0.8
243.09409	0.7
255.09084	1.6
331.15927	1.4
349.16949	4.2
367.17804	0.9
383.24359	39.1
383.28989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75124	2.5
53.03944	8.1
55.01882	3.4
55.05510	19.3
57.07072	16.4
59.04990	8.0
67.05508	41.2
68.72236	2.7
69.03091	3.0
69.03445	18.6
69.07067	14.3
69.42512	18.2
71.04987	8.1
79.05490	29.9
81.03436	6.5
81.07061	42.4
83.04977	6.9
83.08611	3.2
85.06545	5.4
91.05482	46.6
93.07046	98.8
95.04971	29.2
95.08612	45.4
97.02879	3.7
97.06527	13.6
105.04517	3.6
105.07039	82.0
107.04977	4.3
107.08599	48.9
107.85431	3.3
109.06538	27.1
109.10155	27.5
111.08093	9.8
115.05413	4.0
117.07045	16.0
119.04984	3.0
119.08581	60.8
120.09328	3.3
121.06515	13.8
121.10151	52.9
123.08085	34.3
123.11763	3.5
123.63696	2.7
128.06235	9.3
129.06990	10.1
130.07820	6.2
131.08583	37.6
133.06516	8.3
133.10156	34.5
135.08076	27.7
135.11699	6.8
137.09654	16.5
142.07785	21.5
143.08559	24.4
144.09413	6.4
145.06380	3.2
145.10133	39.1
146.07275	3.6
147.08052	25.9
147.11694	19.2
149.09613	34.4
151.07567	35.7
153.09119	4.9
155.08568	8.0
156.09386	6.1
157.10126	43.4
159.08060	9.8
159.11661	18.7
161.09647	20.2
161.13313	10.3
163.07693	3.9
163.11263	6.2
163.14743	3.0
165.09145	38.7
169.10161	6.6
170.10919	5.9
171.11754	13.0
172.08813	3.8
173.09619	14.8
173.13260	10.9
175.11194	21.7
175.14854	12.3
177.09120	13.7
179.08635	3.4
181.10201	6.5
183.11682	6.9
185.09688	3.2
185.13287	21.9
187.11188	6.4
187.14883	4.7
189.12761	9.5
191.14278	5.7
195.11717	6.4
197.13316	7.7
199.11301	4.6
201.12767	9.9
203.14310	28.2
205.41652	2.9
207.13857	11.2
209.13446	3.3
209.15294	5.6
211.11353	4.2
213.12761	3.8
213.16531	4.0
215.14336	10.5
216.15074	4.0
217.12460	4.3
219.13818	9.2
221.15375	94.5
223.14999	3.5
227.14392	10.6
229.12347	3.6
233.15468	8.2
234.16199	18.1
261.22446	3.5
269.12436	6.7
273.16681	3.2
281.18887	3.7
286.19321	3.6
287.20120	6.8
299.20166	3.9
303.19562	12.3
347.23917	4.0
365.24606	18.0
383.25797	100.0
383.29764	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.75124	2.5
53.03944	8.1
55.01882	3.4
55.05510	19.3
57.07072	16.4
59.04990	8.0
67.05508	41.2
68.72236	2.7
69.03091	3.0
69.03445	18.6
69.07067	14.3
69.42512	18.2
71.04987	8.1
79.05490	29.9
81.03436	6.5
81.07061	42.4
83.04977	6.9
83.08611	3.2
85.06545	5.4
91.05482	46.6
93.07046	98.8
95.04971	29.2
95.08612	45.4
97.02879	3.7
97.06527	13.6
105.04517	3.6
105.07039	82.0
107.04977	4.3
107.08599	48.9
107.85431	3.3
109.06538	27.1
109.10155	27.5
111.08093	9.8
115.05413	4.0
117.07045	16.0
119.04984	3.0
119.08581	60.8
120.09328	3.3
121.06515	13.8
121.10151	52.9
123.08085	34.3
123.11763	3.5
123.63696	2.7
128.06235	9.3
129.06990	10.1
130.07820	6.2
131.08583	37.6
133.06516	8.3
133.10156	34.5
135.08076	27.7
135.11699	6.8
137.09654	16.5
142.07785	21.5
143.08559	24.4
144.09413	6.4
145.06380	3.2
145.10133	39.1
146.07275	3.6
147.08052	25.9
147.11694	19.2
149.09613	34.4
151.07567	35.7
153.09119	4.9
155.08568	8.0
156.09386	6.1
157.10126	43.4
159.08060	9.8
159.11661	18.7
161.09647	20.2
161.13313	10.3
163.07693	3.9
163.11263	6.2
163.14743	3.0
165.09145	38.7
169.10161	6.6
170.10919	5.9
171.11754	13.0
172.08813	3.8
173.09619	14.8
173.13260	10.9
175.11194	21.7
175.14854	12.3
177.09120	13.7
179.08635	3.4
181.10201	6.5
183.11682	6.9
185.09688	3.2
185.13287	21.9
187.11188	6.4
187.14883	4.7
189.12761	9.5
191.14278	5.7
195.11717	6.4
197.13316	7.7
199.11301	4.6
201.12767	9.9
203.14310	28.2
205.41652	2.9
207.13857	11.2
209.13446	3.3
209.15294	5.6
211.11353	4.2
213.12761	3.8
213.16531	4.0
215.14336	10.5
216.15074	4.0
217.12460	4.3
219.13818	9.2
221.15375	94.5
223.14999	3.5
227.14392	10.6
229.12347	3.6
233.15468	8.2
234.16199	18.1
261.22446	3.5
269.12436	6.7
273.16681	3.2
281.18887	3.7
286.19321	3.6
287.20120	6.8
299.20166	3.9
303.19562	12.3
347.23917	4.0
365.24606	18.0
383.25797	100.0
383.29764	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	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.2
57.07085	9.8
64.88496	1.5
67.05506	19.0
68.55997	1.4
69.07068	12.6
71.08611	1.6
71.54498	1.7
72.02231	1.7
73.12838	1.5
79.05482	7.4
79.82939	1.6
81.07058	77.9
83.08616	6.5
84.52011	1.6
91.05474	5.2
93.07053	11.8
95.02399	1.5
95.08608	100.0
97.10160	2.6
103.71170	1.5
105.07040	9.2
107.08601	15.5
109.10150	28.2
119.08561	9.6
121.10141	11.4
123.11707	22.6
126.59731	1.4
131.08540	3.0
133.10132	10.3
135.11693	9.8
137.13263	84.3
145.10129	6.8
146.39137	1.6
147.11667	8.3
149.13245	6.1
149.53896	1.7
151.14827	4.6
157.10143	2.7
159.11685	8.2
161.13258	5.9
163.14806	2.2
171.11772	2.1
173.13292	4.0
175.14798	4.9
177.16359	1.7
179.17990	3.3
185.13193	2.3
187.14795	4.8
189.16338	3.7
191.17935	3.8
203.17953	2.0
205.15903	2.5
205.19589	2.8
215.17914	7.9
223.32584	1.6
227.17810	2.7
229.19629	3.1
231.17300	2.2
233.18999	4.4
241.19431	2.0
245.19098	1.8
319.68253	1.5
365.31937	6.4
369.43451	1.7
383.20337	3.4
383.29160	4.1
383.33066	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67586	0.9
53.03949	1.8
55.05505	5.2
56.96563	1.8
57.03432	1.4
57.07075	1.5
57.52434	0.9
58.39961	0.9
60.25311	0.8
61.02924	1.4
67.05508	10.2
69.07071	8.7
70.21550	0.8
70.92143	1.6
77.03928	1.2
79.05495	8.7
81.07066	30.0
83.08629	3.8
85.02920	2.2
85.06574	0.9
91.05479	10.0
93.07051	21.3
95.08616	30.6
97.02914	0.9
97.06546	1.1
97.10174	2.5
103.05459	1.3
105.07041	100.0
107.08605	25.1
109.10168	12.7
110.97572	0.8
111.08118	1.8
111.11731	1.4
117.07047	2.4
119.08592	54.2
121.10150	15.3
123.11691	7.6
123.66595	0.9
125.09681	0.8
131.08611	4.5
132.91737	0.9
133.10150	16.8
135.08076	1.7
135.11694	15.0
137.13283	4.2
145.10162	4.6
147.11710	14.1
149.13280	11.2
153.12900	0.9
157.10173	1.7
159.11697	8.5
161.13274	88.6
162.13615	1.0
163.11241	1.2
163.14810	12.5
165.12737	0.9
173.13264	3.7
175.14845	25.9
177.12851	1.6
177.16362	5.2
179.14334	4.1
185.13411	1.0
187.14809	5.3
189.16406	6.2
191.17979	17.9
191.19614	1.7
201.16389	4.3
203.17993	5.3
205.15915	1.4
205.19536	0.9
207.17561	1.5
215.18008	1.9
217.19592	2.6
229.19653	1.6
243.09186	4.8
257.22726	1.8
261.10043	2.1
279.23035	1.1
285.10104	1.3
287.11581	1.0
302.91342	1.0
317.17847	1.5
358.85944	1.1
365.32169	8.9
383.20694	1.8
383.25232	1.7
383.33176	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	383.3307
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
55.01894	1.9
55.05510	16.3
56.96572	2.2
57.03421	3.9
57.07066	5.6
59.04987	1.9
61.02917	2.4
65.03929	2.3
67.05503	53.9
69.03415	2.1
69.06786	1.5
69.07072	17.7
71.08560	1.7
71.39488	3.2
71.39805	1.7
79.05489	22.2
81.03410	4.8
81.07059	73.2
83.04968	2.2
83.08627	16.7
83.87704	1.8
85.02908	4.2
85.06538	2.1
85.83443	1.7
86.09713	4.0
86.24615	1.7
91.03979	2.3
91.05480	15.3
93.06473	3.2
93.07045	53.4
95.04953	4.9
95.08606	88.0
97.02892	2.4
97.06522	5.1
97.10158	3.6
97.31437	1.8
99.08060	2.2
99.67293	1.7
105.07036	33.9
105.18394	1.8
107.08596	74.1
109.10152	64.0
111.04428	2.4
111.08117	4.4
111.11697	2.0
117.07037	5.6
119.08582	47.3
121.02873	2.8
121.10143	61.8
123.08060	5.2
123.11721	17.7
125.09610	2.3
127.11183	1.9
130.12164	1.5
131.01898	3.0
131.08589	9.1
133.10135	36.7
135.11696	41.9
137.09641	2.5
137.13297	12.3
137.14233	2.4
143.08585	4.0
145.10146	16.7
147.11685	30.5
149.09576	1.7
149.13271	27.5
151.14830	3.9
157.10149	7.1
159.11703	22.1
161.13255	30.3
163.14824	48.0
165.12682	2.8
171.11720	5.1
173.11786	5.9
173.13278	14.3
175.14838	25.3
177.16393	16.2
179.14314	8.7
185.13312	5.6
187.14784	13.5
189.16364	18.6
191.14305	4.0
191.17950	11.0
193.15877	5.4
199.14850	5.5
201.16402	15.6
203.14333	6.3
203.17928	15.9
205.15965	3.3
205.19530	4.8
207.17500	11.1
211.14868	2.4
213.16422	5.9
215.17953	13.5
217.15894	1.9
217.19522	7.5
227.17972	5.9
229.19505	15.2
231.21028	8.7
233.19110	4.3
241.19572	6.8
243.10847	3.4
243.21140	12.2
247.02667	1.9
251.11259	5.1
255.21100	14.2
257.22736	5.7
259.20627	3.8
261.22055	2.3
269.12360	5.6
269.22714	6.2
273.22128	6.5
285.10126	2.4
287.23724	3.4
301.20175	8.0
365.27664	2.7
365.32056	41.9
383.13187	2.0
383.25528	12.6
383.33102	100.0
384.33313	4.6
386.08997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05509	6.5
56.11739	1.2
56.47559	0.9
57.03418	1.2
57.07083	2.0
61.02929	2.4
65.42331	1.1
67.05513	11.5
69.03394	1.0
69.07076	7.3
69.59936	5.5
73.02926	1.5
79.05495	7.2
79.13396	0.9
81.07063	26.8
83.08623	4.0
85.02905	1.3
91.05470	9.0
93.07046	20.5
95.08610	26.6
97.02911	2.2
97.10165	2.5
105.07033	100.0
107.08598	23.6
109.06516	1.3
109.10158	12.5
113.41312	1.0
117.06969	1.8
119.08580	48.9
121.10146	13.4
123.11702	5.3
131.08623	2.3
133.10121	13.8
135.11682	13.9
137.13246	3.1
145.10118	5.6
147.11699	10.9
149.13246	9.1
151.14839	1.7
157.10126	1.4
159.11687	8.7
161.13258	83.8
163.14853	10.3
165.12747	1.2
171.11667	1.3
173.13281	3.4
175.14822	22.9
175.16273	1.6
177.16418	3.8
179.14380	2.7
185.13232	1.5
187.14784	4.8
189.16405	5.4
191.14488	1.5
191.17976	17.6
201.16438	1.5
203.17929	6.5
214.93050	1.0
215.17972	2.4
217.19469	1.8
229.19499	1.1
234.59232	1.0
241.19563	1.3
243.21178	1.6
267.08682	1.4
285.10107	1.7
365.32034	7.5
383.20520	4.3
383.25296	1.9
383.33160	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	384.1153
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.94992	0.5
55.01906	1.9
57.03477	2.4
57.20493	0.6
65.37553	0.5
69.03481	2.0
69.46616	1.3
69.47008	4.1
70.06622	0.8
73.02956	1.9
74.06113	1.3
81.03450	1.3
85.02913	4.1
88.99022	0.6
97.02936	2.3
98.21542	1.1
98.97643	2.0
99.02708	0.8
105.07093	1.1
110.97659	0.6
116.98678	0.7
119.05027	0.7
119.25079	0.6
121.05154	1.0
133.05058	0.9
133.06546	1.0
135.06723	1.6
136.06194	20.6
139.03992	0.6
145.05025	0.9
148.03937	0.8
148.06177	5.6
151.03978	0.7
153.01842	2.6
158.06038	0.8
158.99736	0.6
161.05983	1.3
162.07756	34.6
180.33806	0.6
188.05690	13.8
192.05157	17.0
192.06882	0.9
194.04446	1.4
206.06715	7.0
216.05090	0.7
222.03984	7.1
222.07445	1.2
234.06230	11.0
234.08409	0.4
237.02963	0.9
238.05260	1.0
252.07291	100.0
253.07614	0.9
259.79825	0.7
384.11456	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	385.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01051	0.3
55.19765	0.3
56.96522	0.9
58.58876	0.3
62.08272	0.3
70.53115	0.5
70.53433	0.6
82.99857	0.5
98.97597	11.5
100.97164	0.4
101.00891	2.5
116.98644	5.0
119.01945	3.9
119.59650	0.4
134.99666	1.1
137.02914	0.8
138.10542	0.4
140.98868	0.5
158.99883	1.6
161.16832	0.3
177.00978	11.9
182.99834	0.8
191.50310	0.3
201.00977	3.4
209.53600	0.4
216.98842	0.6
217.04111	3.5
219.02034	25.0
220.02173	0.5
225.00836	2.4
234.99936	0.5
236.99849	0.5
238.99147	0.3
240.98938	0.5
243.02020	11.0
258.99890	5.5
260.00082	1.1
261.00076	4.1
261.03091	100.0
262.03220	3.9
263.03253	0.6
277.00882	5.2
278.01050	1.3
279.00671	5.1
283.00092	4.6
284.00073	0.8
284.04623	1.3
284.99869	1.5
301.01089	4.0
302.01208	0.4
303.00931	1.4
325.01077	0.6
343.02206	1.4
360.99551	0.6
361.99460	0.7
367.02124	2.8
382.98318	0.4
385.03287	20.9
386.03513	0.8
401.92056	0.3
403.04626	17.4
404.04739	0.7
408.05075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49709	2.1
55.01900	2.9
56.96591	4.3
57.03445	2.5
61.02921	3.8
63.73729	2.0
69.03429	6.2
70.48180	6.3
81.03428	3.6
83.05009	4.9
84.48916	2.1
85.02908	9.2
91.05475	3.8
95.04995	3.0
97.02936	4.9
98.97609	4.3
103.05479	6.5
115.05458	5.3
118.04146	3.4
119.03416	8.7
119.08613	2.8
123.04443	4.1
129.05466	2.0
129.07106	3.0
131.04956	21.3
133.06511	6.1
137.05949	3.0
139.03932	4.7
141.06995	9.5
143.03369	2.3
143.04883	3.6
145.06476	6.2
146.03659	3.2
147.04433	3.6
147.08084	4.1
152.44281	2.6
154.60272	2.4
155.07068	3.3
157.06558	5.5
158.07294	2.6
159.04408	2.9
159.08087	3.5
161.05986	14.6
165.05524	3.1
167.07059	5.4
169.06506	10.4
171.04385	3.3
173.06012	3.5
175.03940	4.4
175.07599	2.6
176.04689	3.8
177.05602	2.4
180.07895	4.8
181.04901	3.7
185.05951	3.1
186.06783	5.7
187.04019	13.0
187.07562	5.0
188.07069	6.6
189.01883	4.6
189.05498	8.8
191.07085	28.3
192.07773	2.8
193.08690	3.7
197.05986	11.6
201.05449	3.0
201.09161	3.4
203.03407	2.6
203.07059	4.0
204.04253	11.8
205.08476	2.7
213.05545	4.8
214.06270	3.8
215.07085	10.2
217.05028	7.7
219.06564	21.4
223.05690	5.0
229.08522	8.4
231.06514	8.6
232.07292	2.6
233.08080	4.9
235.06056	2.8
241.18874	2.6
242.05742	3.3
243.06580	7.9
245.04552	10.2
245.08170	3.3
247.05910	3.6
247.09633	12.0
249.07744	2.9
256.22336	2.4
257.08084	16.2
260.06824	27.4
262.04840	2.8
263.05457	4.4
273.07599	6.5
275.09164	100.0
277.07086	12.7
287.05576	7.5
301.07162	8.9
306.37354	2.2
319.08197	15.7
320.71500	2.5
337.09244	7.8
385.10434	17.4
385.15326	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	385.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
56.96562	3.7
57.03440	4.5
59.18968	2.0
61.02921	4.6
63.75995	1.8
68.68354	2.0
69.03429	7.4
70.77531	4.4
73.02930	2.3
79.04720	2.1
80.86858	2.1
81.03433	3.7
81.07055	3.2
83.04988	5.7
85.02901	16.4
87.04472	2.8
91.05484	4.7
93.07053	2.0
94.66666	2.2
95.04956	3.2
95.08596	3.7
97.02885	6.8
98.20813	2.3
98.97599	3.0
99.04461	3.6
103.05468	7.9
105.07018	7.3
107.04976	3.4
107.08582	2.1
107.66918	2.1
109.02839	2.1
110.97507	2.2
111.04372	3.6
115.05431	5.7
116.98604	2.2
117.07023	3.5
118.04188	2.8
119.03425	6.3
119.08568	13.2
121.02862	5.9
121.06551	2.6
121.10142	2.8
123.04491	6.5
123.08070	3.6
125.06028	2.6
127.03933	4.8
128.06218	2.0
129.07024	3.0
131.04906	19.4
131.08548	2.5
133.06511	6.6
137.05936	2.5
137.09619	3.0
139.03877	2.9
141.07010	9.6
141.09117	4.8
143.03389	2.4
144.05685	2.5
145.05008	3.0
145.06483	2.9
145.10143	4.1
146.03624	3.0
147.04430	4.4
147.08060	32.8
153.58466	2.1
155.04988	2.2
155.07013	4.1
157.02843	2.5
157.06470	3.6
159.04428	4.3
160.05280	2.2
161.02946	2.5
161.06013	12.2
161.09586	2.6
163.11153	4.0
165.09081	6.5
167.07018	7.1
167.89919	2.2
168.05701	2.1
169.06493	9.5
173.06030	4.5
175.03845	2.2
176.04639	4.7
177.05444	4.7
180.07817	5.1
181.04936	3.3
183.08096	2.2
185.05916	2.8
186.06786	6.9
187.03874	12.8
187.07544	7.3
188.07042	18.5
189.01897	3.0
189.05504	11.3
190.06259	3.6
191.07028	25.1
192.07922	2.0
193.08626	4.3
196.05116	2.3
197.06015	10.8
199.03787	2.9
200.04686	3.5
201.08972	3.7
203.05251	8.0
203.07065	4.5
204.04173	13.0
205.08392	3.8
205.12244	11.5
207.06529	2.9
215.07074	12.2
216.04242	2.4
217.04987	5.1
218.05780	4.1
219.06532	20.5
221.08116	2.7
223.05830	36.4
223.13261	20.0
229.08646	6.7
231.06528	8.1
232.07419	2.9
242.05634	3.1
243.06511	8.8
245.04515	7.7
245.08105	7.6
247.09720	10.6
249.07608	4.0
257.08099	17.6
260.06845	22.9
261.07504	2.5
262.04773	2.9
263.05719	3.4
273.07660	5.1
275.09155	100.0
277.07132	16.8
287.05475	7.9
291.08713	3.0
301.07043	8.7
316.20972	2.1
317.28931	2.2
319.08200	18.7
337.09146	8.0
385.10553	97.2
385.14673	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01874	5.1
55.05510	4.6
56.96564	6.7
57.03429	7.2
61.02914	5.7
67.05492	4.5
69.03441	15.0
69.07040	2.5
69.56805	12.9
70.06593	3.2
71.05001	4.9
73.02923	5.8
73.40759	2.4
79.05485	6.7
81.03407	7.6
82.66789	2.1
83.04977	7.2
85.02912	34.5
86.03239	2.4
87.04456	7.0
87.66032	3.1
89.06050	17.2
91.03927	5.6
91.05472	8.9
95.04982	5.3
97.02897	18.9
98.03265	2.7
98.97614	14.7
101.00906	5.0
101.02431	2.8
101.06020	4.6
101.98051	2.7
102.01198	2.2
103.05482	8.6
105.05533	2.8
105.07047	51.1
107.04958	5.2
109.02882	7.6
112.99088	2.4
115.05467	10.0
116.98625	5.7
117.05535	2.7
117.07036	4.3
118.04254	2.6
119.01920	9.9
119.04931	4.5
122.95417	2.3
123.04430	7.3
127.03934	14.9
128.98647	2.2
130.51280	2.1
131.01935	4.9
131.04942	9.7
133.06511	58.8
134.02766	3.0
136.06198	7.7
136.07555	6.9
137.07935	4.0
143.00116	2.8
143.01878	6.5
143.03447	2.5
143.04909	4.3
143.05962	3.5
145.04971	5.8
145.06502	6.9
147.04402	5.5
151.04002	2.6
153.01807	9.8
155.01947	5.7
155.07042	6.1
157.06416	3.0
158.99644	3.5
159.06381	3.0
160.05212	2.8
161.03087	12.5
161.04626	4.7
161.05992	100.0
162.06477	2.7
167.07091	29.2
173.02943	5.2
173.06059	4.5
175.03979	3.0
176.09131	2.8
177.00714	3.3
179.07133	3.1
183.06525	3.2
184.02158	7.7
185.02943	4.9
189.05444	4.5
190.06213	3.7
191.07004	5.6
192.07755	3.0
193.08629	66.8
197.02988	6.6
201.00499	2.4
201.05458	4.3
205.08594	5.1
207.06534	9.9
208.02110	3.4
213.07553	2.3
215.07123	2.6
216.04196	3.0
219.01752	6.3
219.06615	5.5
220.02061	3.5
221.07948	4.3
222.09550	4.9
223.06091	3.8
226.03349	2.9
229.05075	3.7
231.06494	18.1
233.04446	5.2
233.08224	4.8
237.02827	5.6
238.03297	2.8
241.05609	3.1
245.05106	23.6
245.07729	3.3
249.07693	5.1
251.09186	24.2
259.06165	2.4
261.07605	11.1
262.03296	3.0
263.09146	3.3
263.59192	3.4
275.09189	13.6
277.07150	4.4
279.03882	2.6
279.08588	5.0
283.06293	2.5
289.07211	3.6
293.10254	3.0
307.08105	8.7
310.05283	14.9
319.08115	2.7
325.07733	7.9
343.08701	3.1
367.10361	3.1
385.10526	25.5
385.15353	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	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44146	1.0
53.03947	1.4
55.01880	2.6
55.05511	2.3
57.03435	3.3
59.04993	1.9
61.02932	3.8
67.05495	3.6
69.03439	19.8
69.07053	1.5
69.54565	3.7
69.54970	2.5
70.06596	1.3
70.10634	1.0
71.05005	2.5
73.02924	2.3
79.05502	2.2
81.03432	3.6
81.07079	2.6
83.04992	6.8
83.08627	3.8
83.85424	1.0
85.02909	32.9
87.04489	1.9
91.05509	5.7
93.07058	12.3
95.04954	1.8
95.08601	2.0
97.02905	11.5
97.06538	3.6
98.97580	1.8
99.04467	2.9
101.00943	1.0
105.07047	7.0
107.04938	1.8
107.08598	5.1
109.02890	3.9
109.06520	3.7
109.10181	2.1
111.04500	1.2
111.08095	4.6
113.06027	4.0
115.05466	1.4
117.07011	1.3
118.06538	4.2
119.08559	6.0
121.06525	17.2
121.10156	18.8
123.04461	3.1
123.08082	8.2
125.06036	1.5
125.09643	4.9
127.03916	7.5
127.07537	1.2
129.07037	1.5
130.06537	4.3
131.08586	3.6
132.08095	2.2
133.06512	1.5
133.10162	4.0
135.04407	1.4
135.08067	8.4
135.11729	5.9
137.06000	1.8
137.09627	3.8
139.03937	3.9
139.07565	17.2
144.08055	1.2
144.09315	1.2
145.04964	4.8
145.10159	4.6
146.06041	4.0
146.07286	1.1
147.08061	3.7
149.05997	8.5
149.09634	35.8
149.13248	1.3
151.03951	1.1
151.07571	1.7
151.11197	3.5
153.09019	1.3
158.61490	1.0
159.08090	2.5
159.11728	8.1
160.07608	4.6
161.06105	1.3
161.09657	10.1
163.07574	2.0
163.11209	12.6
165.09178	3.7
167.07030	5.0
172.08873	4.2
175.11235	3.2
177.09055	1.7
177.12778	13.0
178.05051	1.3
179.10751	1.3
181.12265	1.5
187.07555	1.1
187.11217	14.6
188.07076	5.7
189.09015	1.1
189.12819	1.1
205.12265	89.2
206.08150	20.3
207.13930	2.3
217.08961	1.1
223.13318	100.0
224.13728	2.4
247.13251	1.4
325.39664	1.2
367.17554	1.8
385.14426	1.8
385.18445	39.1
390.54041	1.2
394.06943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71739	1.3
55.01877	2.0
55.05512	2.6
57.03436	2.8
59.04974	1.5
61.02920	5.1
67.05516	3.1
69.03436	12.8
69.07062	2.9
69.31541	11.5
71.04994	3.1
79.05502	4.6
81.03419	6.0
81.07060	4.0
83.04974	4.9
84.69127	1.2
85.02916	26.9
91.05488	4.6
93.07042	6.9
94.06560	1.5
95.05009	2.2
95.08617	4.0
97.02901	6.7
97.06576	2.2
99.04474	4.3
99.08112	1.4
105.07005	6.4
107.04975	3.0
107.08612	7.0
109.02884	2.2
109.06525	3.6
109.10178	3.9
117.07065	3.8
119.08590	10.6
121.06521	4.1
121.10151	6.9
122.06027	1.9
123.04441	4.4
123.08049	8.4
125.09634	1.4
127.03923	5.0
129.06978	2.6
133.10132	3.2
135.08044	13.1
135.11700	3.4
137.05991	6.7
137.09627	3.7
139.03906	2.7
145.04974	5.8
145.10127	8.2
147.08061	6.8
147.11728	1.6
149.06027	3.7
149.09654	3.9
151.07567	2.4
159.11719	9.6
160.08868	3.5
161.09584	4.9
161.13269	1.8
163.11201	20.7
165.09116	19.0
167.07069	4.7
172.08836	1.6
175.11194	15.3
177.12744	17.6
181.12302	1.6
187.11229	6.8
195.13971	1.4
205.12254	37.4
207.13852	1.7
223.09880	1.8
223.13315	33.2
226.08575	6.8
297.11215	2.4
385.18353	100.0
386.18671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05504	7.9
57.07063	6.2
60.23708	2.3
67.05505	20.1
67.95459	2.5
69.03404	2.5
69.07078	13.6
79.05485	11.9
81.07059	74.8
83.08622	4.7
91.05512	5.2
93.07035	16.6
95.04982	3.3
95.08609	100.0
97.10183	4.0
97.38604	2.9
105.07033	9.1
107.08598	31.0
109.10157	36.2
111.11714	3.0
119.08590	11.8
121.10150	23.8
123.11704	23.1
133.10156	9.6
135.11702	16.2
137.13261	65.6
145.10152	5.9
147.11662	14.0
149.13240	15.6
151.14818	7.9
159.11690	3.3
161.13229	17.8
163.14827	14.5
165.12811	4.7
173.13307	4.6
175.14832	9.0
177.16393	9.2
179.14339	12.1
187.14841	6.5
189.16420	11.0
191.18021	3.4
203.18005	5.2
215.17964	8.2
217.19569	21.4
222.54396	2.7
229.19576	6.5
231.21001	3.1
243.20940	3.6
306.65918	2.8
311.27423	3.7
367.33493	18.3
385.29477	18.6
385.34665	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	385.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.8
57.07082	7.2
67.05172	1.3
67.05511	16.3
69.07076	11.8
69.28964	1.0
69.29296	6.4
71.05006	1.0
71.08630	2.1
72.69925	0.7
77.03899	0.7
79.05492	9.1
81.07066	68.7
83.08622	5.2
91.05466	3.4
93.07055	14.7
95.08616	100.0
96.08982	0.8
97.06523	1.5
97.10175	3.6
105.07034	8.5
107.08603	18.3
109.06565	0.9
109.10165	26.5
111.11725	1.9
119.08598	10.1
121.10149	17.8
123.11718	18.0
125.13258	1.4
131.08557	3.6
133.10144	8.8
135.11708	12.6
137.13268	66.9
145.10101	4.3
147.11696	8.0
149.13275	11.6
151.14810	8.2
159.11668	4.9
161.13266	10.2
163.14836	9.6
165.12726	2.0
171.32562	0.7
173.13260	3.5
175.14807	4.7
177.16466	4.3
179.14333	4.2
179.17999	1.6
187.14854	4.8
189.16380	7.2
191.14331	0.9
191.17984	2.8
193.19557	2.3
201.16437	2.5
203.17938	4.3
205.15912	1.6
205.19557	2.4
207.17548	1.1
215.18001	7.0
217.19533	19.2
219.21097	1.2
229.19522	8.4
231.21130	1.5
233.18983	3.3
235.20590	4.0
243.21112	5.4
247.20656	1.4
257.22726	0.9
261.22192	1.3
271.24045	0.8
297.25681	0.9
367.33630	13.9
385.29474	4.0
385.34592	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	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01864	0.8
57.03438	1.2
58.06593	1.5
59.00864	0.4
59.04991	0.8
61.02932	2.0
66.15485	0.4
68.05050	0.6
69.03430	5.0
69.18604	4.8
71.05000	0.9
73.02911	1.1
79.05519	1.0
80.41151	0.4
81.03412	2.4
85.02906	14.0
87.04449	1.1
91.03962	0.5
91.05498	2.7
93.07030	0.7
97.02892	5.0
98.97591	0.5
99.04462	0.9
103.05473	3.7
103.06106	0.7
105.00076	1.3
105.07039	12.0
107.04938	1.6
109.02857	2.0
118.06557	5.2
118.97086	0.4
119.07380	0.6
120.07250	0.6
120.08116	10.7
123.01124	1.6
127.03927	3.7
128.06195	2.0
130.06487	1.2
131.04944	2.1
131.07343	0.7
131.08487	0.8
132.08086	0.7
139.50464	0.4
143.08546	1.5
145.04932	2.5
153.01823	0.7
160.11224	48.9
167.07030	0.9
178.12277	44.8
179.12677	0.4
206.11771	8.8
224.12817	100.0
225.13142	1.0
248.12764	0.9
249.04402	0.5
254.59425	0.5
299.43405	0.4
307.43411	0.4
350.15860	0.8
386.14026	1.2
386.18124	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36535	1.2
55.01882	6.5
56.96561	2.0
57.03448	10.0
57.22787	1.2
59.04994	1.5
61.02930	7.2
65.92768	1.2
69.03429	23.6
69.07069	1.8
70.04086	1.9
71.01350	4.0
71.04992	2.6
71.53384	1.6
73.02922	13.5
77.00613	1.4
79.05489	1.6
81.03410	6.1
82.41097	1.2
83.04928	1.6
85.02909	100.0
86.06040	1.2
86.09706	5.7
87.04458	3.0
89.06028	1.6
91.03944	5.6
93.07021	1.5
95.04964	2.6
97.02892	29.4
98.97578	5.4
99.04440	4.6
100.07613	1.5
101.06016	1.4
103.03963	2.3
109.02888	11.8
115.03945	9.9
116.98621	1.3
121.02839	1.3
121.06483	1.7
127.03911	25.4
132.06549	1.6
133.04979	15.0
134.99657	1.2
137.05962	2.0
138.05482	1.3
145.04964	55.4
147.08025	2.7
148.08380	1.7
150.07597	2.1
153.01836	3.9
158.85742	1.2
158.99709	2.3
163.04721	1.7
163.06036	25.2
167.07068	20.0
181.04898	1.4
188.07205	1.2
192.04042	16.9
193.08502	1.6
203.58012	1.3
206.08101	3.0
223.06111	1.6
224.06630	20.8
224.09126	5.2
224.12956	4.8
224.16003	1.5
237.02921	2.5
237.13310	6.5
240.04774	2.1
241.07121	2.3
242.05968	1.6
260.07080	3.4
344.09787	1.4
347.13589	1.8
386.14740	13.1
387.11838	1.9
387.16214	5.1
403.54611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01882	5.8
55.02591	1.3
55.30683	1.4
56.96561	1.7
57.03444	14.3
59.05014	2.4
61.02930	10.2
67.82644	1.4
69.03082	2.3
69.03437	35.3
70.52906	3.2
71.01350	3.1
71.04990	2.7
72.69817	1.5
73.02926	25.1
81.03426	7.5
85.02914	100.0
86.09708	3.3
87.04478	10.8
89.06042	1.8
91.03974	5.9
97.02899	41.8
98.97598	3.1
99.04473	4.5
103.03936	2.4
104.85770	1.5
109.02905	8.9
115.03947	21.5
120.08129	11.9
121.06477	1.6
123.04483	3.7
127.03944	31.9
133.04984	29.9
137.05951	2.4
145.04973	53.4
147.04424	1.6
150.07623	2.2
162.69603	1.2
163.06030	29.1
167.07043	10.6
192.84018	1.6
215.05817	1.6
223.05991	3.1
224.09315	2.1
237.13419	3.7
241.07147	3.9
259.08212	4.0
270.82718	1.4
368.13406	1.6
386.14761	9.0
387.16431	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	387.1288
Annotation	Axitinib
Peak:m/z	Relative Intensity
51.02362	0.2
53.03924	0.4
55.01868	0.3
56.96539	0.2
57.03426	0.3
65.75694	0.2
67.05465	0.2
69.03399	0.5
70.94506	0.2
70.94846	0.3
71.04977	0.2
73.02911	0.2
78.04711	1.3
79.05502	0.9
85.02888	0.7
86.09679	0.2
91.05466	0.7
93.07043	0.7
94.04189	0.2
95.01334	1.4
95.04942	0.5
97.02872	0.5
98.97555	0.3
103.05454	0.6
104.48999	0.2
105.03373	0.2
105.07042	1.0
106.04169	1.2
107.04970	1.2
115.05399	0.3
121.02901	0.3
121.06522	1.2
121.10226	0.3
123.04440	4.1
124.03986	0.3
124.05209	1.2
127.03957	0.2
129.01813	0.2
133.06471	0.9
134.03563	0.3
135.04395	0.2
137.05951	0.3
141.01819	0.6
149.05997	1.6
151.03926	0.9
151.07544	0.2
152.04681	1.3
161.06029	0.8
165.09059	0.2
167.07047	100.0
168.07373	0.6
177.04004	0.4
179.07024	0.5
181.08553	1.5
193.08627	3.5
207.13875	0.5
211.09665	3.5
225.11078	0.2
225.14955	0.3
236.56062	0.3
333.41229	0.2
387.16370	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	387.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52087	0.4
55.01875	1.1
55.05520	0.5
65.03934	0.9
65.38611	0.4
67.05499	1.1
68.99787	1.5
69.07066	0.6
69.99416	0.4
70.79804	0.8
70.80116	0.7
79.05508	0.5
83.04991	1.2
91.05485	0.6
93.03388	0.7
95.04961	0.4
97.02886	0.7
97.06527	1.0
105.07000	0.8
111.00776	0.4
111.04459	4.4
115.05458	0.4
117.07030	0.8
119.48045	0.4
121.02878	0.6
122.03642	0.5
123.04442	4.3
127.03907	0.6
128.06247	0.7
129.06972	0.7
131.04942	1.9
133.06508	0.5
135.04453	0.9
137.05972	3.8
139.03909	100.0
140.04216	0.7
143.08542	0.8
145.06476	1.3
145.10152	1.0
147.08026	0.5
149.05977	3.0
151.03897	1.3
153.05466	0.9
154.07822	0.6
155.03416	0.7
155.08591	0.5
159.08086	0.6
160.05261	1.4
161.05981	4.1
163.03917	11.1
163.07527	1.1
165.05479	0.5
165.09192	0.7
167.07016	1.6
168.05695	0.5
169.10178	0.7
171.08064	0.7
173.06006	1.1
173.09679	1.2
174.06830	0.5
175.07596	2.9
177.05418	0.5
177.09109	0.9
179.03397	1.1
181.04967	1.8
185.09689	0.7
186.06735	1.0
187.07579	1.3
189.09113	6.0
191.07138	0.6
191.10680	3.9
193.08578	1.1
195.08049	0.5
197.09589	0.9
200.08276	0.6
201.09111	5.1
203.10699	1.3
213.09105	1.1
214.06233	1.1
215.10649	3.4
217.08739	1.1
219.10196	9.8
225.09196	0.7
229.08678	0.5
231.10179	3.6
243.10185	8.1
261.11301	1.3
283.06052	0.5
293.31384	0.5
295.06094	0.9
310.83487	0.4
313.07233	0.7
325.10828	1.5
343.11984	0.4
351.12396	1.6
369.13358	1.8
387.14474	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	387.144
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
53.03943	0.4
55.01867	1.0
55.05498	0.5
57.03430	0.7
62.39943	0.3
65.03928	1.3
67.05499	1.0
68.99798	1.7
69.03412	0.8
69.07057	0.6
69.96198	0.8
69.96615	1.1
72.63350	0.3
79.05488	0.8
81.07049	0.3
83.04975	0.9
91.05468	0.8
93.03395	1.3
95.04951	1.0
97.02909	0.8
97.06532	2.4
99.04435	0.5
103.05448	0.9
105.07044	0.6
107.04919	0.5
107.08596	0.3
111.00827	0.4
111.04446	4.2
115.05427	0.9
117.07032	0.7
118.03211	0.3
119.08557	0.4
121.02838	0.4
121.06535	0.3
123.04430	4.9
123.44637	0.4
127.03978	0.5
128.06236	0.7
129.06963	0.9
131.04958	1.7
131.08586	0.5
135.04382	0.6
137.05957	1.9
139.03902	100.0
140.04286	0.7
141.06999	0.4
143.08571	0.5
145.06502	1.0
147.04353	0.4
149.05977	3.7
151.03905	1.4
153.05455	1.0
153.06894	0.4
155.03343	0.5
155.08556	0.7
157.06487	0.8
157.10080	0.4
159.08064	0.5
160.05217	1.7
161.06010	5.5
163.03911	13.1
163.07570	1.3
165.05476	0.6
165.09091	0.9
167.03561	0.5
167.07022	0.5
169.04959	0.5
169.06392	0.6
169.10109	0.6
171.08075	0.7
173.06032	1.3
173.09679	1.2
174.06757	0.7
175.07555	4.7
177.05501	0.4
177.09140	0.6
179.03387	1.6
181.04976	0.9
183.08034	0.4
186.06743	0.8
187.07539	1.2
189.09125	5.7
191.10652	3.9
193.04926	0.4
193.08603	1.0
197.05925	0.4
197.09557	0.6
199.07535	0.6
200.08359	0.7
201.09090	7.3
203.10695	1.8
205.08682	0.4
213.09196	1.2
214.06267	1.0
215.10663	3.3
217.08578	1.8
219.10164	17.2
225.09076	1.0
231.10120	3.6
243.10184	6.4
250.48296	0.4
261.11215	2.0
295.05951	0.5
309.07632	0.4
313.07385	0.4
322.08365	0.4
325.10715	1.8
351.12381	2.1
369.13391	1.8
387.14505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01867	2.1
55.05504	0.9
65.03927	1.1
67.05497	1.7
68.99789	1.1
69.03436	0.7
69.07062	1.9
70.21242	1.7
79.05492	3.9
81.07080	0.5
82.01725	0.5
83.04987	0.7
93.03403	1.3
95.04962	2.1
97.06535	44.4
98.06816	0.6
99.04456	0.5
107.04966	0.7
111.04440	3.1
119.04948	1.0
123.04433	18.4
125.02475	0.4
127.03893	0.6
129.07004	0.5
131.04915	0.6
132.05643	0.5
133.06514	0.7
135.04401	0.9
137.05992	0.8
139.03908	100.0
140.04218	0.5
145.06512	1.1
147.04384	2.3
148.05144	0.6
151.03903	0.6
160.05223	0.8
161.05995	3.0
163.03926	4.3
165.05418	0.7
173.05965	0.5
175.03955	0.7
175.07585	1.6
181.05005	1.0
189.05522	1.2
189.09142	1.0
193.84869	0.4
201.05516	0.5
201.09116	10.5
205.08455	0.7
207.06432	0.5
217.08655	2.4
219.10176	11.6
225.09085	0.5
229.08699	0.5
231.10127	1.5
243.10210	1.3
249.11177	0.8
261.11285	1.4
301.07166	0.7
327.08636	1.1
369.13428	8.1
387.14197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01876	2.0
55.05504	0.6
57.03435	0.5
65.03940	0.9
67.05517	1.9
68.99780	1.1
69.03427	0.7
69.07073	2.6
70.92190	0.8
77.03903	0.4
79.05500	3.3
81.07055	1.4
83.04996	1.7
91.05486	0.8
92.47322	0.3
93.03406	0.8
95.04950	2.0
97.02897	0.7
97.06538	6.4
99.04451	1.1
103.05463	0.4
105.07044	0.8
107.04951	1.5
111.04462	2.5
111.45992	0.3
115.05453	0.4
117.07004	0.9
119.04939	0.9
123.04446	10.8
124.05235	0.8
127.03970	0.4
129.07059	0.6
131.04932	1.0
132.05708	0.5
133.06509	0.8
135.04434	1.4
137.05977	0.9
139.03915	100.0
141.06967	0.6
142.07748	0.4
145.06502	1.6
147.04417	3.5
148.05209	0.6
149.05991	0.6
153.05504	0.5
155.08566	0.5
157.06444	0.5
158.07263	0.5
159.04468	1.0
159.08067	0.7
160.05209	2.0
161.06006	2.5
163.03915	2.6
164.04689	1.1
165.05519	0.5
167.03477	0.7
169.06470	0.4
171.08038	0.5
173.06013	1.3
173.09557	0.6
181.04944	1.0
181.06432	0.4
185.09612	1.0
186.06822	0.6
187.03929	1.1
187.07571	0.5
189.05484	1.4
197.09740	0.7
201.09125	26.1
202.09717	0.6
203.10803	0.9
215.10800	0.7
219.10204	2.8
225.09186	1.2
231.10220	1.6
232.76755	0.4
239.10750	0.7
243.10185	4.3
249.11389	0.6
257.11740	0.5
267.10147	0.4
285.07797	0.5
285.11349	0.9
301.07202	0.6
309.11035	0.5
327.08667	2.6
327.12296	1.2
351.12222	0.9
369.13373	19.5
370.13663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
51.02391	0.4
53.03939	0.7
53.76373	0.4
54.90068	0.4
55.01878	2.1
57.03427	0.4
65.03932	1.0
67.05496	1.8
68.99786	1.1
69.03417	0.8
69.07077	3.2
70.25295	0.4
70.91889	1.1
72.71802	0.4
74.03720	0.4
79.05495	4.5
79.74628	0.4
81.07066	1.2
83.04982	1.4
91.05443	0.5
93.03400	0.9
95.04972	1.5
97.02895	0.6
97.06536	26.8
99.04455	0.8
105.07006	0.5
106.42290	0.4
107.04956	0.8
111.04430	3.0
119.04925	0.8
123.04433	17.7
123.05332	0.9
127.03903	0.6
130.07771	0.5
131.04980	0.5
135.04436	0.9
137.05966	0.9
139.03905	100.0
140.04243	0.6
145.06490	0.6
147.04439	2.1
149.06079	0.6
151.03976	0.5
159.04431	0.8
159.08000	0.7
160.05196	1.0
161.05977	3.6
163.03917	4.3
165.05501	1.3
175.03893	0.7
175.07558	1.7
181.05013	1.1
181.55266	0.4
189.05507	0.9
189.09111	1.0
201.09138	11.4
205.08662	0.4
213.09192	0.6
215.10625	0.7
217.05035	0.6
217.08540	3.1
218.14517	0.5
219.10168	37.9
231.10135	2.2
243.10248	2.5
249.11401	0.8
259.09698	0.8
261.11340	0.8
327.08820	1.0
327.12323	0.9
358.85562	0.5
369.13330	9.0
387.14493	1.2
387.22556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.50685	3.3
53.03951	3.7
55.05502	3.5
57.03441	5.1
59.05003	9.6
61.02961	3.4
65.04591	2.7
67.05501	8.9
69.03445	14.2
69.07066	7.3
70.84190	3.7
70.84505	5.7
79.05492	7.1
81.03421	4.0
81.07063	13.0
83.05003	4.1
83.08643	3.4
85.02908	29.4
87.04461	6.0
91.05496	11.6
91.94248	3.0
93.07057	21.5
95.04993	6.0
95.08621	20.5
97.02883	4.5
97.06546	6.0
99.04516	3.7
101.06031	5.5
101.65468	2.9
105.07055	18.6
107.08611	40.6
109.06529	8.8
109.10198	5.2
111.08105	3.8
113.59991	3.4
119.08617	11.2
121.06562	6.0
121.10149	7.0
123.08076	37.2
123.11722	8.7
123.30994	3.2
125.09641	4.4
125.15539	3.1
127.03900	7.5
131.08543	3.8
133.10139	6.3
135.11697	3.4
137.06003	23.9
137.09612	19.9
139.03912	31.5
139.11206	9.9
141.09117	3.1
145.04955	6.8
145.10121	3.5
147.08121	3.7
147.11723	13.7
149.09634	9.9
151.03952	3.5
151.07571	11.4
151.11208	58.4
156.09470	3.1
159.11688	3.4
161.06006	7.3
161.09604	4.4
161.13281	7.3
163.03931	31.1
163.07652	3.1
163.11249	7.3
165.09241	3.8
167.07072	6.3
171.11787	5.7
175.07681	3.7
177.12801	5.8
179.14224	4.2
181.04906	8.2
181.12294	4.7
189.09149	9.9
189.12747	15.1
193.08665	4.8
201.33876	3.9
207.13829	100.0
225.14888	77.6
316.67316	3.2
387.14438	15.1
387.20114	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.15174	2.1
53.03944	4.6
53.67759	2.1
54.18335	2.0
55.01873	3.2
57.03421	6.2
61.02903	2.1
61.94210	2.5
69.03423	8.6
69.38850	13.3
69.39259	4.5
71.04991	9.6
79.05487	3.0
81.03421	86.3
81.07056	6.0
83.04969	2.5
85.02911	36.5
93.07061	2.5
95.08614	6.9
97.02887	7.1
97.06487	3.1
99.04458	9.2
99.08107	5.8
105.07010	4.4
107.08576	2.5
109.02854	2.9
109.06506	3.7
109.10145	3.5
111.04457	2.5
112.99276	2.1
119.08597	9.2
121.02895	5.2
121.06548	2.3
121.10138	5.3
123.08075	27.1
125.09639	13.8
127.11212	6.6
128.06146	2.8
131.04974	3.2
131.08560	3.4
133.06531	2.4
135.08054	11.2
137.05959	7.9
137.09642	2.7
139.03912	47.7
139.04976	1.5
141.09128	3.9
145.04958	4.3
147.11681	5.0
149.05960	3.5
149.09645	4.8
151.07552	3.9
153.09120	5.6
161.05984	6.2
161.09615	3.6
161.13257	3.1
163.03920	31.7
163.07603	2.3
163.11223	3.0
165.09116	5.9
169.08669	2.4
175.07520	15.1
177.12689	3.7
179.14215	2.7
189.09186	10.7
189.12854	3.5
191.10825	2.4
193.08604	4.9
207.13805	100.0
217.08669	2.2
219.10158	13.4
225.12585	3.1
225.14844	66.8
281.70901	2.4
369.13281	4.8
387.14633	4.2
387.19690	3.6
401.71677	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	387.2018
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.29377	1.4
51.54371	1.6
55.05518	3.4
57.03449	2.7
57.07079	3.9
61.47369	1.5
63.92587	1.8
67.05518	19.0
69.03442	5.2
69.07072	3.1
69.55282	5.7
69.55704	5.6
71.04975	2.4
79.05495	4.8
81.03412	2.3
81.07060	6.3
83.04980	2.4
85.02917	13.4
85.06546	8.4
91.05503	5.6
93.07068	9.7
95.05000	4.0
95.08620	62.1
97.02907	5.3
98.21529	3.1
98.97620	2.1
99.04453	8.0
105.07048	9.1
107.04974	1.9
107.08618	8.9
109.06587	3.4
109.10185	5.1
111.08080	2.1
113.06035	10.3
119.08581	12.8
121.06542	2.0
121.10148	9.1
123.04468	3.8
123.08089	22.3
123.11716	9.1
125.05974	1.9
127.03931	2.4
131.08553	2.4
133.06491	2.9
133.10156	5.5
135.08113	2.7
135.11703	8.2
137.06006	2.1
137.09683	4.9
139.03915	5.1
143.08644	2.1
145.10168	3.1
147.08080	1.6
147.11714	9.1
149.09634	28.2
151.03876	2.2
151.07536	2.8
151.14847	2.0
152.91026	1.6
161.09610	1.7
161.13284	13.6
163.03825	2.5
163.11137	7.5
165.09148	5.5
165.12827	5.2
167.07065	19.8
171.11723	3.0
189.12741	24.6
193.08635	3.9
203.05360	1.9
207.13832	50.3
225.11095	7.9
225.14894	12.8
329.12201	5.9
334.95865	2.1
351.18558	2.1
369.19290	1.9
387.16354	100.0
388.16406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03933	6.0
54.30566	2.8
57.03426	7.8
67.05505	4.4
69.03409	9.2
70.82688	5.4
70.83006	4.1
71.04987	9.6
81.03419	87.7
81.07043	5.1
85.02903	40.0
87.52712	2.7
88.14896	2.7
91.05492	4.0
92.16686	2.9
93.07033	4.7
93.96200	3.2
95.08594	7.0
97.02885	8.7
99.04435	5.4
99.08061	3.9
105.07046	4.5
107.08585	6.3
109.02864	3.2
109.06445	5.4
119.08543	8.4
121.02868	6.7
123.04433	4.2
123.08075	30.0
125.09625	17.3
127.03892	3.6
127.11175	8.7
135.08029	10.0
137.05966	15.0
137.09676	3.1
139.02927	5.2
139.03903	52.7
139.81306	2.8
139.99316	2.5
145.04935	6.0
149.05946	3.8
149.09630	7.5
151.07552	8.1
153.09067	8.1
160.05246	3.2
161.05997	6.2
163.03905	32.6
163.11188	6.0
165.09010	4.7
167.07054	3.0
175.07547	11.0
179.14333	4.2
181.05005	3.0
187.62486	2.6
189.09111	9.8
189.12820	7.3
201.09073	3.2
207.13805	100.0
217.08333	2.8
219.10101	14.5
225.14839	71.6
231.74754	2.7
261.10962	3.2
279.10107	2.7
387.14551	6.8
387.20090	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	389.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03419	1.0
65.03936	1.8
69.03429	2.5
69.86484	4.2
75.24352	0.8
85.02904	5.8
93.07034	1.0
95.01333	2.4
95.04985	2.0
97.02888	2.2
98.21412	1.2
98.97584	1.7
109.06558	1.0
111.04424	1.2
113.02409	1.2
116.20176	0.9
120.81673	0.8
121.02867	100.0
122.03210	1.0
123.04443	2.3
127.03849	1.0
133.06499	1.0
134.05133	0.9
137.05975	2.0
139.03940	1.2
141.01849	3.2
152.36845	0.8
153.01920	1.1
167.07018	4.5
168.07382	2.3
169.07570	1.5
170.87711	0.8
181.04950	1.0
184.35432	0.8
195.06523	5.3
198.09109	1.4
205.62848	0.8
209.08063	1.7
209.15318	2.6
213.07614	7.8
227.09123	2.4
233.17928	0.8
237.02773	0.9
252.31779	0.9
376.28244	0.9
389.13901	10.8
389.17813	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	389.217
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.58699	1.2
55.05512	2.8
57.07073	1.8
67.05509	1.3
67.26163	1.2
69.03438	9.3
69.07073	2.2
69.66573	4.0
69.66992	2.2
77.34616	1.2
81.07066	2.9
83.04984	4.8
83.08619	3.2
85.02894	3.8
85.82461	1.1
93.07050	4.3
95.04990	1.7
95.08628	6.9
97.10188	1.6
99.08096	4.6
105.07027	1.9
107.08583	12.3
109.02834	1.3
109.06537	1.3
109.10152	5.8
111.08099	4.9
119.08553	1.5
121.06494	1.5
121.10139	7.8
123.11717	1.2
125.06001	1.6
125.09644	41.2
131.08617	1.5
133.10139	4.0
135.08046	4.3
135.11662	1.8
137.09631	2.4
139.07567	1.7
147.11671	2.0
149.09633	51.5
149.13255	4.5
151.11201	9.8
153.09122	9.0
154.09732	1.3
163.14848	6.4
173.13277	3.2
191.14322	27.4
209.15390	100.0
227.16443	9.3
328.22269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03951	1.9
57.03420	1.7
61.02930	3.6
66.19421	1.7
67.05506	5.5
69.03432	5.8
69.22388	17.1
69.63161	1.6
71.05004	11.7
79.05490	1.9
81.03426	3.2
81.07070	9.9
85.02901	20.8
85.06542	8.7
88.26959	1.8
91.05489	3.4
93.07049	13.3
95.04970	80.4
95.08605	6.7
97.02904	5.1
97.06529	7.0
99.04459	27.6
99.08092	11.5
105.07030	10.0
107.08615	17.3
109.02874	2.6
109.06498	4.5
109.10164	41.6
111.08073	3.1
115.07572	5.6
117.07024	1.7
119.08591	6.6
119.63586	1.9
121.10157	7.8
123.08064	2.1
123.11714	19.3
125.06020	2.6
125.09644	3.1
127.03848	3.8
127.07567	5.6
127.59858	1.6
131.08553	8.3
133.10139	81.3
135.08083	2.5
139.11198	4.2
140.04655	2.1
145.04991	3.4
147.11694	2.0
149.09605	2.4
149.13234	8.6
151.11200	18.6
153.09116	38.3
155.07025	3.3
158.10925	2.7
163.14920	3.9
169.12250	15.2
173.13278	27.7
181.04974	2.9
191.14316	45.0
209.15381	100.0
210.15686	2.8
227.09163	7.5
227.16467	14.8
288.07916	1.7
336.87830	2.0
389.17938	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	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.58723	2.5
55.05504	3.5
57.03435	3.6
57.21405	2.5
59.05009	5.1
59.22760	2.5
62.91727	2.0
67.05505	4.5
69.03428	6.3
69.07057	8.3
71.04992	7.4
75.04461	2.2
79.05473	2.8
81.07067	11.1
83.04984	7.9
83.08646	3.8
85.02900	14.4
85.06556	3.0
93.07045	10.1
95.04966	43.9
95.08593	11.4
97.02932	3.8
97.06537	3.1
98.21535	6.5
99.04465	15.4
99.08105	2.7
105.07050	7.5
107.08582	23.4
109.06558	6.9
109.10155	21.0
111.08087	5.7
113.03490	2.2
115.07580	7.6
116.31744	2.1
121.10145	35.0
123.08099	3.8
123.11689	6.1
125.09630	6.2
127.03920	3.3
131.08615	6.2
133.10150	27.4
135.07108	2.7
135.08092	8.5
135.11694	8.5
137.09608	14.0
139.11197	9.5
147.11705	4.1
149.09618	9.4
149.13272	20.7
151.11174	33.1
153.09105	20.2
163.14821	14.7
169.05984	2.2
169.12256	5.5
173.13255	14.9
191.14311	53.9
209.15378	82.0
210.15665	4.3
227.14072	4.7
227.16425	100.0
233.15659	2.6
266.09555	2.8
286.79666	3.3
308.25290	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	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05503	4.8
57.07079	1.5
67.05515	1.6
69.03428	9.1
69.07062	3.7
69.59111	4.3
69.59521	5.1
71.04977	1.7
79.05493	2.3
81.07046	4.2
83.04980	4.9
83.08599	1.8
85.02892	5.4
93.07043	5.5
95.04980	1.8
95.08629	7.9
97.10173	3.7
99.08093	5.6
105.07027	2.5
107.08589	14.6
109.06543	2.3
109.10149	6.5
111.08099	3.2
119.86839	1.6
120.73217	1.5
121.06516	1.8
121.10166	10.5
123.08045	1.9
125.06001	1.6
125.09631	50.6
130.75316	1.2
133.10075	3.2
135.08047	6.4
135.11729	3.3
137.09578	3.1
139.07506	1.7
149.09624	65.2
149.13260	6.5
151.11198	12.8
153.09120	15.3
163.14824	9.4
165.12755	2.6
173.13255	4.4
191.14319	29.8
209.15366	100.0
210.15779	2.6
211.39134	1.4
227.16472	9.3
283.53485	1.3
387.42450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05515	6.6
57.07073	2.0
57.71584	0.9
60.75779	1.0
67.05518	8.5
69.06738	0.9
69.07079	11.8
69.86738	3.1
71.08609	1.0
74.38471	0.9
75.76302	0.8
76.20329	0.9
79.05492	6.3
81.07063	22.4
83.08638	4.8
88.13043	0.8
91.05489	7.7
93.07056	16.9
95.08616	31.8
97.10151	1.5
98.97542	1.1
105.07040	22.3
107.08604	23.9
109.10168	17.8
117.07018	3.0
119.08594	16.4
121.10159	14.6
123.11710	8.8
128.06213	2.1
129.06995	3.9
130.07819	1.0
131.08585	15.1
133.10129	10.5
135.11694	10.6
137.13226	6.6
141.06996	2.2
142.07773	3.7
143.08575	18.0
144.09323	1.4
145.10141	33.7
147.11702	17.4
148.12424	1.3
149.13277	14.9
149.44121	1.0
154.07823	1.1
154.09094	0.9
155.08562	14.0
156.09348	2.8
157.10152	19.2
159.11702	14.1
161.13257	6.3
163.14879	3.2
167.08655	2.2
169.10146	8.3
170.10947	3.2
171.11697	7.9
172.12395	1.8
173.13303	4.2
175.14857	6.8
177.16391	2.7
179.08589	1.6
181.10136	3.9
182.10886	2.6
183.11700	9.9
185.13283	11.7
187.14841	64.3
189.16400	16.5
191.17992	8.3
193.10193	2.5
194.10719	1.0
195.11697	6.2
196.12398	2.0
197.13266	8.4
199.14822	8.9
201.16403	11.8
203.17946	2.1
207.11708	2.3
208.12418	1.7
209.13289	6.2
209.15210	1.7
211.14841	8.1
213.16383	8.9
215.17998	7.4
221.13324	3.0
223.14877	8.0
225.16438	4.5
227.17966	11.0
233.13120	1.3
235.14914	2.8
237.16461	6.8
237.83304	0.9
239.18021	4.8
239.68040	1.0
241.19533	2.9
249.16365	2.0
251.18015	6.0
253.19568	11.2
263.17990	3.5
265.19629	3.6
267.21136	1.8
277.19540	5.5
279.21103	5.6
281.22739	1.4
291.21121	3.1
293.22696	6.4
305.22595	6.6
307.24435	1.0
319.24246	4.2
331.24203	5.4
333.25836	8.4
346.26688	8.8
347.27246	3.1
359.27347	1.3
374.29919	5.0
389.32065	100.0
390.32431	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	390.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
56.05040	57.2
57.03420	1.5
67.05493	1.3
68.99787	2.9
69.03425	1.8
69.07072	1.3
69.74358	5.4
71.04977	1.0
73.02922	1.2
74.27808	0.9
79.05499	2.1
81.07054	2.3
83.04955	1.4
85.02899	3.7
86.09709	1.1
90.82356	1.0
91.05482	3.9
93.07045	3.2
95.04947	2.2
95.08588	1.1
97.02874	1.8
97.06535	0.9
98.20814	1.4
98.97558	2.4
99.04456	1.3
99.16023	1.1
100.07606	4.4
103.05439	1.2
105.00470	1.0
105.07050	7.0
107.04967	2.0
107.08581	1.5
109.10157	1.8
119.01825	1.0
119.04942	4.2
121.02847	1.1
121.06509	4.8
121.10146	1.3
123.04434	58.7
123.08051	1.4
124.07601	2.0
125.05978	1.8
125.09671	1.3
127.03896	1.9
129.06989	1.7
130.71759	1.0
131.04984	1.3
131.08533	1.0
133.06477	5.3
133.10071	2.2
135.04446	2.6
137.05948	3.1
139.03949	2.2
141.05489	1.9
147.04420	14.0
147.08046	1.9
149.06009	7.5
149.09625	2.4
150.10020	1.4
151.03931	6.3
158.18376	1.1
158.99715	1.6
159.04431	1.3
161.05977	11.6
163.03764	1.1
165.05479	38.1
165.06917	1.9
165.09113	1.5
166.08603	1.2
167.06944	1.9
174.05498	3.7
174.86281	1.1
175.07509	3.7
177.05475	100.0
178.05751	1.5
179.07074	4.7
183.10144	5.0
189.05411	2.9
189.12642	1.1
191.06987	1.2
192.14571	1.5
193.08603	7.3
196.65808	1.1
203.06947	1.6
207.06511	1.8
209.15352	2.1
210.15695	3.6
211.09654	2.1
220.09698	75.2
221.08092	28.3
221.10156	2.0
228.12331	2.4
228.42416	1.0
233.08141	1.3
238.10750	4.2
245.08121	1.5
311.09213	1.7
317.10187	4.5
329.06345	1.7
329.10196	22.6
355.11908	1.4
372.14435	56.8
373.13004	3.0
390.14862	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01865	2.0
56.77422	0.9
57.03439	1.6
61.02918	1.5
68.93030	0.8
69.03419	2.7
70.64569	1.2
70.64907	1.5
73.02916	1.7
74.62481	0.8
75.84899	0.9
79.05510	5.6
81.03401	1.4
85.02921	12.8
90.04676	1.3
91.05495	6.8
97.02882	3.0
103.05480	6.0
105.07043	49.1
107.04931	1.3
109.06549	1.0
115.05475	9.2
118.04152	3.9
119.04926	6.7
121.06540	2.0
124.07620	0.9
127.03918	2.3
131.04912	1.5
133.06509	49.4
137.06006	0.9
138.09166	1.2
143.04999	1.5
143.06038	4.0
145.04941	2.7
147.04396	0.9
147.08034	2.8
149.05971	2.7
151.07523	2.7
153.05513	1.5
161.06001	100.0
162.06213	1.6
164.10712	1.4
165.09167	1.4
167.07031	2.3
168.07820	2.5
179.07051	1.6
180.08658	2.8
193.08626	63.3
196.07306	1.9
198.57791	0.8
211.09666	13.3
226.19530	0.8
228.12306	9.4
280.57077	0.9
327.44135	0.9
390.18146	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	390.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77587	11.4
55.05509	20.5
56.96555	20.8
60.00582	11.3
61.02925	17.5
67.05502	29.1
69.03426	18.3
69.07065	35.4
76.78001	10.4
79.05475	16.2
81.03383	23.1
81.07064	53.0
83.04967	13.4
83.08616	23.1
85.02905	42.7
91.03985	11.0
91.05466	13.2
93.06995	28.0
95.08601	33.1
96.30468	10.9
97.02878	14.8
105.07073	14.0
107.08572	20.8
109.10139	17.8
119.08540	11.7
133.10170	19.8
137.05963	47.6
147.11665	15.5
149.02307	16.0
150.22794	10.9
227.64774	12.4
251.11412	15.8
269.12454	100.0
292.13916	17.4
349.16898	16.2
367.14191	15.3
385.15085	13.2
390.19397	25.5
390.32315	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1034
Annotation	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
56.80215	1.1
56.96572	1.0
57.03425	1.1
57.07071	2.3
62.11531	1.0
69.03420	2.1
71.08621	2.9
71.53053	1.1
73.02893	1.3
83.04987	1.2
85.02888	3.7
88.79080	1.2
91.05504	1.3
93.07073	1.2
95.01097	1.7
97.02888	2.0
98.97591	5.0
113.02274	2.3
121.02719	3.7
127.03927	2.2
131.99715	1.1
137.06009	2.1
138.02866	5.0
139.03751	1.3
141.05237	2.5
144.99304	3.8
145.04897	1.3
149.02351	25.3
151.03917	1.2
153.01799	3.3
153.05188	2.1
158.99756	1.3
161.05981	1.9
167.03169	6.4
167.07045	1.2
169.04794	1.2
183.02669	1.4
227.05266	3.7
229.12802	1.5
237.02910	2.1
243.04706	4.2
245.06339	5.0
254.66846	1.2
269.10010	11.5
305.02945	2.5
311.11124	2.0
391.10263	100.0
391.15619	24.9
391.19330	2.5
392.10535	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	391.158
Annotation	Reptoside
Peak:m/z	Relative Intensity
56.96564	1.3
57.07062	1.8
61.02911	0.8
67.05487	0.7
69.03442	3.5
69.19689	5.8
70.06579	1.5
70.78028	0.5
71.04975	1.4
71.08602	1.6
72.08133	0.8
73.02909	1.4
81.03407	1.6
81.07057	0.8
85.02907	6.5
89.06020	1.6
89.08412	0.5
91.05430	1.1
92.17439	0.7
95.04959	0.8
97.02906	3.6
98.21487	1.1
98.97591	3.0
99.04459	0.7
105.07021	1.3
107.04907	0.8
107.61414	0.6
109.02843	2.0
109.06568	0.7
113.02383	4.7
114.05494	0.7
115.30455	0.6
116.98592	0.9
121.02830	1.4
124.07621	0.7
125.02394	0.7
127.03929	3.3
133.06491	1.0
134.06831	0.6
137.05954	2.6
138.09128	0.9
139.07500	1.4
140.07059	0.6
143.03337	0.9
145.04964	1.4
147.04369	1.4
149.02333	12.2
149.05907	0.7
149.09622	1.0
151.16623	0.6
153.01839	15.7
153.05385	1.1
158.99599	0.9
161.05954	1.4
162.06366	1.2
163.81749	0.6
165.09062	0.9
167.03383	1.2
167.07018	1.9
167.10609	0.7
171.02902	1.8
177.00607	0.8
183.12024	0.7
193.08600	1.1
194.08969	1.1
194.11722	0.8
207.10049	0.8
211.11566	1.1
212.10025	0.9
219.01666	1.0
228.12383	1.4
229.12587	3.3
230.13997	0.7
232.10817	0.7
235.09624	1.4
275.10941	2.1
315.06760	1.2
331.10382	0.8
391.15646	100.0
392.16000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
55.46183	1.9
59.00515	1.8
64.86230	1.9
67.05490	2.3
79.05492	3.5
81.07046	6.9
83.05007	2.2
85.02902	5.5
91.05489	7.6
93.07033	5.5
95.04977	4.5
95.08599	5.0
97.02868	2.5
99.04462	3.2
103.05470	3.6
105.07015	8.7
107.04964	7.0
107.08603	6.7
109.10159	8.4
117.07017	2.0
119.08575	3.7
121.06516	4.8
121.10162	4.1
123.11749	2.3
125.09644	4.7
129.07047	4.1
131.04926	2.8
131.08582	3.4
133.10138	2.7
135.11691	3.8
137.05989	3.6
145.06511	2.8
146.07266	6.0
148.05162	3.9
149.02386	10.7
149.05974	2.7
149.09581	2.0
154.09109	2.2
157.06490	3.8
161.05998	100.0
161.09608	22.5
163.07573	3.7
167.07091	15.7
167.10844	2.1
173.99367	2.1
174.06729	4.6
175.07515	5.2
175.14937	2.8
177.09149	2.9
181.08626	13.1
183.13742	1.8
189.09120	50.2
191.07028	3.5
191.14284	2.7
193.15958	3.0
207.10181	62.0
209.15335	2.6
211.17017	5.3
228.16867	2.2
229.17079	3.9
236.27600	2.0
285.11331	3.2
317.13873	4.4
361.16367	5.4
391.07907	3.8
391.33704	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	391.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01880	0.7
55.05514	1.9
65.65112	0.7
67.05508	2.5
69.07068	1.5
69.54157	0.8
69.74109	4.7
71.08636	1.0
79.05489	3.2
81.07068	2.2
83.05004	1.8
85.02896	1.5
85.06555	1.4
91.05486	8.5
93.07048	2.3
95.04962	2.0
95.08603	7.1
103.05486	3.0
105.07028	5.0
107.04962	8.0
107.08606	2.3
109.10163	3.0
115.05470	1.1
117.07019	1.1
119.04945	3.2
119.08593	1.4
119.60874	0.8
120.58409	0.7
121.06490	4.1
121.10149	1.6
123.04409	1.5
123.11725	1.2
125.09626	1.6
128.06265	1.8
129.06992	6.7
131.02263	0.8
131.04903	4.5
131.08589	3.7
133.06531	1.5
133.10133	2.5
135.08128	0.9
135.11728	1.5
137.06000	3.4
137.09663	0.9
139.11195	0.9
144.05801	1.1
145.06490	2.0
146.03596	1.4
146.07257	4.2
147.04376	1.0
147.08089	1.3
148.05173	2.4
149.02348	4.8
149.05986	1.9
149.13293	1.2
151.07574	3.2
153.05486	2.0
157.06532	2.7
157.52321	0.8
161.05989	100.0
161.09627	23.1
162.06276	0.9
163.07558	4.3
163.14818	1.7
166.06258	1.2
167.07050	15.2
174.06819	3.8
175.06268	0.9
175.07501	4.9
175.14792	1.1
177.05540	0.9
177.09180	1.3
181.08582	11.5
189.09116	51.8
190.09456	1.1
191.07082	2.8
192.07880	0.9
193.08667	1.8
193.15909	2.6
207.10176	62.3
211.09744	0.9
211.16939	13.0
219.10129	1.9
224.08076	0.8
225.09200	1.3
229.17888	1.3
253.08650	1.3
257.11636	1.0
283.09824	1.4
285.11212	3.7
311.12735	1.1
315.12338	2.2
317.13937	5.1
329.13861	1.8
331.15207	1.1
343.15384	3.7
361.16553	4.9
375.74109	0.8
391.14899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01867	1.1
55.05508	0.8
56.96564	1.1
57.03432	1.3
57.07079	1.2
61.02918	1.4
69.03440	4.3
69.07060	2.7
70.05682	1.7
70.06602	5.7
71.05002	14.4
71.08633	1.2
73.02891	0.7
73.04046	0.8
79.05496	1.5
81.03404	2.2
81.07081	1.5
81.18941	0.7
82.93288	0.5
84.08141	1.0
85.02434	1.0
85.02918	12.9
85.04023	4.0
86.09716	14.7
88.07644	8.4
91.03970	0.7
91.05514	3.1
92.05825	0.8
93.07040	1.3
95.04971	1.9
95.08568	1.0
96.08131	2.2
97.02903	5.4
98.06068	22.2
98.97581	1.7
99.04475	1.8
99.08108	0.7
103.05483	0.8
105.07052	1.2
107.04951	3.2
107.08599	0.9
109.03156	1.9
109.10090	0.8
109.46631	0.6
110.06054	1.9
110.97621	1.0
113.10763	3.2
115.08669	1.3
119.08573	1.4
121.02880	2.3
121.06501	1.5
123.08056	0.7
124.07604	1.6
127.03904	2.3
127.08689	0.9
129.07002	1.5
130.07358	1.1
131.04951	0.7
131.11768	1.1
133.06499	0.8
133.10138	1.4
135.08072	0.9
137.06004	10.0
137.09712	0.6
138.12784	5.2
139.03928	1.0
140.07019	0.7
141.10246	6.7
145.00679	0.7
145.04980	1.3
147.04434	1.1
147.08063	4.4
148.08392	5.1
149.02347	8.1
149.05991	2.5
151.03932	0.7
153.05493	1.3
155.08202	1.0
161.06018	1.6
163.07607	2.4
165.09094	3.2
165.14027	0.7
166.09502	2.9
166.12297	7.9
167.07048	6.9
175.14961	1.1
177.05502	1.4
179.06970	1.3
181.05019	0.6
183.14949	32.6
191.07011	0.8
193.15826	1.0
195.10219	2.1
201.16043	1.0
211.14430	71.9
212.10048	0.8
212.14754	1.2
213.11246	7.1
228.12361	1.0
229.15494	100.0
230.15910	1.1
237.02759	0.8
257.08426	0.7
273.11148	1.6
279.10483	0.7
285.11203	0.7
341.10022	1.0
385.68121	0.7
391.15045	4.4
391.18573	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	391.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19337	2.0
53.03941	2.6
55.01864	2.1
55.05509	5.7
55.77375	1.8
56.05040	2.4
57.03431	7.0
57.07068	2.9
61.02914	2.0
67.05492	8.7
69.03426	7.4
69.07065	9.4
70.72768	4.2
70.73095	2.6
71.05003	6.6
75.04494	2.4
75.62815	1.8
79.05508	5.5
81.07066	26.4
83.04999	2.3
83.08623	3.2
85.02912	15.8
85.06493	1.9
91.05487	9.5
93.07040	12.0
95.04992	2.2
95.08624	22.1
97.02895	3.1
97.06538	2.3
99.04447	2.6
99.08093	4.2
100.72025	2.0
101.06012	3.5
102.60654	1.9
105.07043	13.3
107.08615	18.4
109.02879	1.8
109.06527	2.9
109.10172	16.5
111.08033	3.0
113.09612	2.4
113.66682	1.9
115.07571	4.1
119.08595	34.2
121.06532	4.4
121.10155	56.5
123.04449	4.0
123.08072	5.5
123.11723	100.0
127.03928	3.1
129.06992	3.2
131.04964	2.7
131.08542	3.0
133.10143	33.5
135.11726	21.1
137.05984	4.0
137.09622	3.8
137.13263	13.0
139.11215	2.5
141.09149	2.4
147.11687	2.5
147.92229	2.1
149.02356	6.9
149.05997	2.8
149.09564	2.0
149.13258	4.5
151.07571	3.3
153.05528	2.3
157.06447	2.8
161.06007	55.6
161.09637	17.5
167.07050	8.7
173.13255	1.9
175.07526	3.8
175.14847	65.2
176.15034	1.8
177.05510	4.0
181.08640	6.8
189.09138	31.5
193.15904	50.8
195.78709	1.9
207.10164	32.9
211.16972	37.0
221.10100	2.6
229.18016	40.1
285.10880	2.5
317.14026	3.0
361.16428	3.8
370.36588	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	391.233
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
51.19337	2.0
53.03941	2.6
55.01864	2.1
55.05509	5.7
55.77375	1.8
56.05040	2.4
57.03431	7.0
57.07068	2.9
61.02914	2.0
67.05492	8.7
69.03426	7.4
69.07065	9.4
70.72768	4.2
70.73095	2.6
71.05003	6.6
75.04494	2.4
75.62815	1.8
79.05508	5.5
81.07066	26.4
83.04999	2.3
83.08623	3.2
85.02912	15.8
85.06493	1.9
91.05487	9.5
93.07040	12.0
95.04992	2.2
95.08624	22.1
97.02895	3.1
97.06538	2.3
99.04447	2.6
99.08093	4.2
100.72025	2.0
101.06012	3.5
102.60654	1.9
105.07043	13.3
107.08615	18.4
109.02879	1.8
109.06527	2.9
109.10172	16.5
111.08033	3.0
113.09612	2.4
113.66682	1.9
115.07571	4.1
119.08595	34.2
121.06532	4.4
121.10155	56.5
123.04449	4.0
123.08072	5.5
123.11723	100.0
127.03928	3.1
129.06992	3.2
131.04964	2.7
131.08542	3.0
133.10143	33.5
135.11726	21.1
137.05984	4.0
137.09622	3.8
137.13263	13.0
139.11215	2.5
141.09149	2.4
147.11687	2.5
147.92229	2.1
149.02356	6.9
149.05997	2.8
149.09564	2.0
149.13258	4.5
151.07571	3.3
153.05528	2.3
157.06447	2.8
161.06007	55.6
161.09637	17.5
167.07050	8.7
173.13255	1.9
175.07526	3.8
175.14847	65.2
176.15034	1.8
177.05510	4.0
181.08640	6.8
189.09138	31.5
193.15904	50.8
195.78709	1.9
207.10164	32.9
211.16972	37.0
221.10100	2.6
229.18016	40.1
285.10880	2.5
317.14026	3.0
361.16428	3.8
370.36588	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	391.2327
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.03941	2.6
55.05507	6.7
57.03430	2.0
57.07090	2.3
59.05010	2.1
67.05515	11.4
69.03413	3.7
69.07076	9.6
71.04984	3.9
71.08624	2.3
71.55129	2.0
72.76697	1.8
79.05524	10.9
81.03423	2.0
81.07066	15.6
83.04963	2.4
83.08624	9.4
84.01245	1.5
85.02901	6.6
85.06540	4.5
91.05489	11.0
93.07051	13.1
95.04986	4.0
95.08610	46.5
97.06512	2.7
97.10160	2.2
101.06004	3.8
103.05481	5.3
105.07049	17.6
107.04971	17.7
107.08607	11.6
109.06558	2.7
109.10171	22.5
111.08080	2.4
115.07599	1.8
118.04154	4.5
119.04971	2.9
119.08578	8.7
121.06494	4.8
121.10123	8.5
122.07287	2.4
123.08075	5.2
123.11706	6.8
124.05221	2.7
125.09631	4.2
127.03909	3.8
129.09085	1.6
131.08569	1.5
133.06509	15.2
133.10117	6.5
135.04417	5.9
135.08051	4.0
135.11711	10.4
136.76756	1.5
137.05969	8.5
137.09618	4.2
137.13313	2.6
139.11243	3.0
149.02361	11.6
149.05956	3.4
149.13278	5.9
150.06763	12.0
151.07523	6.0
151.14856	1.4
161.05994	9.3
163.03929	15.7
163.14848	11.3
165.09082	11.6
165.16425	2.7
167.07066	12.9
167.14342	5.6
175.14818	16.5
179.07193	1.8
180.07777	3.8
181.08630	4.9
181.15897	16.6
186.62213	1.4
189.09082	3.7
193.08618	39.2
193.15894	19.6
195.06529	3.6
199.16899	1.6
207.10228	3.3
211.07628	1.7
211.09669	55.5
211.16940	100.0
212.17294	2.1
219.10133	1.8
229.18016	36.0
239.25507	1.6
253.08540	1.8
285.12219	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	391.2329
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
50.33622	1.3
55.01894	1.2
55.05509	12.7
56.59664	1.3
56.92868	1.5
57.07079	3.4
59.04990	3.2
60.94370	1.3
67.05513	9.3
69.03424	11.0
69.07060	6.4
69.45454	10.2
70.65382	1.3
71.04992	5.0
79.05494	2.3
81.03411	3.2
81.07058	8.2
83.04979	20.2
83.08627	13.7
85.02910	16.3
85.06551	9.1
87.04472	2.2
91.05477	2.3
93.07034	7.2
95.04959	3.2
95.08628	11.2
97.02898	4.8
97.06557	2.8
97.10158	4.6
99.04457	1.8
99.08095	4.4
101.06035	2.2
105.07027	4.2
107.08594	13.0
109.10159	37.1
111.08056	2.4
113.06020	1.3
119.08578	4.3
121.10143	6.1
123.11712	12.5
125.09666	6.6
127.03953	3.4
127.11226	10.3
127.37661	1.4
133.10109	4.3
135.11687	12.9
137.05966	3.4
137.09630	4.7
140.03065	1.2
149.02328	7.5
149.13243	6.8
151.11168	7.0
151.14807	2.0
153.12753	3.5
155.10695	1.6
161.05975	2.8
167.07031	14.9
167.14313	15.1
169.12238	24.5
175.14844	4.6
181.08565	1.8
185.15369	10.9
189.09058	2.3
193.08635	1.5
193.15889	14.2
202.61382	1.4
207.10075	2.0
211.16933	74.8
229.17987	100.0
258.54492	1.3
285.12085	1.9
324.10901	1.4
359.12381	3.2
373.22095	1.6
405.24048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2329
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
55.05511	14.3
57.03419	1.7
57.07095	2.8
58.61798	2.0
59.05003	4.6
61.02913	2.1
61.24345	1.6
64.67739	1.7
67.05508	8.9
69.03419	11.7
69.07069	11.5
70.29627	5.2
71.04975	6.3
71.08639	2.4
79.05499	5.4
81.03407	3.3
81.07076	8.5
83.04983	21.0
83.08636	12.6
85.02910	14.1
85.06564	12.3
87.04426	2.4
91.05480	5.4
93.07054	4.5
95.04931	2.7
95.08599	6.8
97.02885	3.6
97.06499	2.7
97.10168	3.8
99.04456	2.7
99.08083	5.1
101.06033	2.8
105.07030	4.3
107.04952	4.8
107.08608	14.0
108.66000	1.8
109.02919	2.5
109.06484	2.4
109.09453	3.1
109.10162	35.6
111.08100	2.9
119.08570	5.0
121.06496	2.7
121.10177	4.2
123.11723	16.2
125.09613	9.6
127.03915	4.1
127.11207	11.7
131.08490	2.5
133.10098	5.6
135.08081	2.1
135.11690	11.1
137.05963	3.2
141.10521	1.9
149.02357	15.7
149.13284	4.6
151.07570	4.4
151.11194	3.9
153.12851	3.5
161.06015	21.2
161.09608	7.6
165.05482	2.2
167.07085	13.4
167.14336	16.7
169.12247	25.1
171.13689	2.2
175.14813	5.0
181.08586	3.7
185.15359	8.9
189.09177	13.4
193.15921	9.7
196.78163	1.9
207.10194	16.2
209.15469	2.1
211.16937	66.6
229.09692	2.2
229.18011	100.0
230.18326	2.2
253.18071	2.5
361.16660	1.9
364.71716	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	391.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05511	6.6
57.07066	3.6
59.82409	1.0
61.86433	1.1
66.75323	0.9
67.05508	10.5
69.07066	12.7
70.03978	1.5
70.04325	4.7
70.24146	1.2
71.08617	2.2
79.05494	7.8
81.06581	2.2
81.07057	29.2
83.08637	5.6
91.05468	8.9
93.07050	17.0
95.08607	46.6
97.10162	2.7
105.07021	15.7
107.08594	23.0
109.10159	17.7
117.07024	3.8
119.08575	17.2
121.10149	16.2
123.11703	11.0
129.07004	2.9
130.07787	1.0
131.08563	27.8
133.10115	13.6
135.11690	13.1
137.13257	9.7
138.80092	1.0
141.06955	1.7
142.41972	1.0
143.08563	6.9
144.09351	1.4
145.10129	33.2
145.11287	1.8
147.11705	7.2
149.02342	10.4
149.13277	12.3
151.14841	2.4
155.08571	5.8
157.10123	8.8
159.11679	19.0
161.13263	8.3
163.14827	17.7
167.03375	2.1
168.09422	1.4
169.10117	6.5
171.11693	6.3
172.12480	3.7
173.13246	13.9
175.14838	20.7
177.16418	7.7
183.11697	7.6
185.13222	6.1
187.14833	61.4
189.16393	29.0
191.17970	10.3
197.13342	5.9
199.14813	6.8
201.16383	67.4
202.16682	1.6
203.17961	5.3
209.13400	1.7
211.14862	4.9
213.16454	9.4
215.17938	5.6
217.19487	6.7
218.33090	1.2
223.14720	1.8
224.15489	1.5
225.16364	6.3
227.17996	6.2
229.19502	4.9
237.16347	2.7
239.17935	10.0
241.19539	9.4
243.21198	1.3
253.19528	50.5
255.21123	7.1
257.22559	1.9
265.19290	1.1
267.21112	7.2
269.22638	2.0
279.21219	1.5
281.22784	2.3
293.22696	2.5
307.24084	2.3
321.25858	1.9
335.27359	1.8
348.28214	5.9
391.33572	100.0
392.33853	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	391.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88967	1.1
51.66829	1.2
53.71223	1.1
55.05505	6.2
57.07060	4.7
67.05502	8.5
69.03439	1.4
69.07077	11.2
69.26037	12.1
71.03393	1.1
71.08636	1.9
79.05505	6.3
81.07064	25.8
83.08622	4.5
85.02921	1.4
91.05479	8.1
93.07046	14.3
95.08615	41.4
97.02915	1.9
97.10160	3.7
98.20819	3.1
103.05446	1.3
105.05382	1.2
105.07050	15.6
107.08601	22.4
109.10162	15.4
111.11768	1.2
117.07023	4.2
119.08582	17.1
121.10146	15.0
123.11728	8.1
129.06970	2.5
131.08585	23.8
133.10141	12.3
135.11719	10.6
137.13251	7.8
141.07002	1.5
143.08565	6.1
145.10130	24.2
147.11696	10.8
149.02333	14.9
149.13280	9.6
151.14847	2.9
155.08569	4.9
156.09315	1.6
157.10156	7.9
159.11691	17.4
161.13283	10.4
163.14844	16.7
167.03418	1.4
169.10143	5.6
171.11702	5.3
172.12621	1.6
173.13286	14.5
175.14839	24.5
177.16393	6.8
183.11694	8.7
185.13326	6.3
187.14830	41.2
189.16397	37.6
191.17963	7.1
197.13290	4.7
199.14851	8.4
201.16399	49.2
203.17989	4.1
205.19543	1.3
209.13226	1.5
211.14874	6.4
213.16438	5.5
215.17914	5.9
217.19572	5.6
223.14856	1.8
224.15486	1.6
225.16403	4.1
227.17972	5.4
229.19554	4.9
237.16289	1.3
238.17273	2.8
239.17944	6.8
241.19562	8.2
243.21165	2.6
251.17931	1.3
253.19534	55.9
255.21191	6.9
257.22684	2.7
267.21082	5.8
269.22720	1.4
279.38052	1.2
281.22781	1.4
283.24219	1.6
321.25558	2.0
333.25739	1.8
348.28159	4.6
391.33612	100.0
392.34082	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	391.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85400	0.5
53.03942	1.0
55.05516	6.5
57.07061	2.5
65.03925	0.8
66.80901	0.6
67.05509	8.3
69.06726	0.9
69.07072	12.4
70.57648	2.0
71.08627	0.9
74.96188	0.6
77.56641	0.6
79.05493	6.8
81.07066	23.5
83.08636	3.1
91.05476	6.2
93.07050	13.4
95.08616	39.4
97.10195	3.1
98.21365	0.6
105.07036	13.9
107.08604	17.9
109.10164	14.6
109.10915	0.7
111.11700	0.6
116.06203	0.6
117.07030	3.4
119.07800	1.1
119.08586	14.5
121.10151	14.7
123.11717	6.8
128.39859	0.6
129.06970	2.9
130.07805	1.2
131.08574	19.5
132.74664	0.6
133.10144	11.3
135.11700	10.5
137.13263	7.7
138.06352	0.7
141.06987	1.6
142.07767	0.9
143.08568	6.5
144.09363	0.7
145.10130	22.1
147.11708	7.6
149.02354	4.8
149.13271	10.4
151.14824	2.1
155.08543	4.7
156.09309	1.4
157.10158	7.0
158.10904	1.6
159.11705	15.8
161.13272	6.4
163.14830	18.1
163.48615	0.6
165.16394	0.5
168.09325	1.0
169.10158	5.1
170.10880	1.0
171.11705	5.1
172.12471	1.9
173.13286	11.0
175.14841	17.5
177.16423	8.2
181.10194	0.8
182.10884	1.4
183.11694	6.8
184.12570	0.6
185.13255	5.1
186.13966	0.6
187.14839	42.1
188.15239	0.7
189.16396	25.5
189.18124	1.4
191.17940	5.9
195.11713	1.3
195.75092	0.6
197.13281	4.8
199.14807	5.2
201.16399	41.9
203.17993	3.9
205.19357	0.8
209.13348	1.1
210.14066	0.9
211.14798	3.7
213.16414	7.1
214.35576	0.6
215.17955	5.3
217.19560	6.0
223.14890	2.4
225.16418	4.1
227.17973	4.7
229.19453	5.2
237.16411	1.1
238.17155	1.4
239.17960	7.9
241.19522	7.8
243.21112	2.0
251.18011	1.3
253.19534	44.2
254.20126	0.9
255.21114	6.8
257.22641	6.0
265.19354	1.3
267.21033	4.7
269.22751	2.7
277.19879	0.7
279.21088	1.5
281.22626	2.0
293.22635	1.5
295.24097	1.2
303.58154	0.6
307.24307	1.6
321.25735	1.5
333.25677	0.9
335.27307	1.1
348.28253	4.6
349.28677	0.7
374.08304	0.6
376.31146	1.2
391.33603	100.0
392.34012	2.6
395.51886	0.6
402.53781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38373	0.7
53.03939	0.8
54.72722	0.7
55.05312	0.7
55.05515	7.1
55.31464	0.7
57.07081	3.9
65.03956	0.7
67.05509	10.7
69.06731	0.9
69.07072	12.5
69.50542	5.0
71.08630	1.3
75.34989	0.6
79.05496	5.7
79.95522	0.6
81.06595	1.3
81.07063	25.2
83.08603	4.2
89.56841	0.8
91.05479	8.2
93.07051	14.1
94.53881	0.7
95.04957	0.8
95.08610	39.7
97.10146	2.9
105.07038	13.7
107.08591	21.1
109.09465	1.3
109.10162	16.2
111.11692	0.9
115.05482	0.7
117.07020	3.0
119.08590	15.8
121.10143	14.9
122.10668	0.8
123.11713	8.3
128.06229	1.4
129.07002	2.2
130.07741	1.3
131.08568	20.7
133.10139	10.2
135.11697	11.6
137.13258	9.4
141.06973	2.0
143.08559	8.8
144.60280	0.7
145.10136	26.0
147.11687	9.0
149.02362	5.8
149.13261	11.6
151.14839	2.9
155.08595	5.6
156.09396	1.4
157.10138	7.7
159.11693	14.7
161.13251	9.7
163.14824	19.4
167.08473	0.7
168.09285	1.6
169.10109	7.9
170.10855	0.9
171.11697	5.8
172.12518	1.7
173.13248	9.9
175.14841	18.6
177.16389	7.2
181.10136	1.1
182.10883	1.9
183.11691	7.8
185.13245	5.8
185.36601	0.8
186.14032	1.6
187.14830	48.1
189.16391	25.4
189.18120	1.3
191.17955	6.6
195.11674	1.7
196.12508	0.9
197.13243	6.0
198.13991	0.9
199.14836	5.5
201.16389	36.9
203.17963	5.1
209.13304	1.3
210.14015	1.4
211.14801	4.3
213.16377	8.9
214.17094	0.8
215.17949	6.5
217.19487	6.3
223.14778	1.1
224.15636	0.9
225.16373	5.6
227.17940	6.8
229.19522	6.4
234.99345	0.7
237.16385	1.1
239.17955	10.1
240.18686	0.7
241.19519	9.7
243.21181	1.5
251.18063	1.0
253.19521	50.5
254.20026	1.7
255.21111	7.1
257.22629	2.9
265.19247	0.8
267.21106	6.3
269.22546	1.9
279.21121	2.3
281.22583	1.6
283.24149	0.7
293.22672	1.6
294.23318	0.8
295.24310	0.9
307.24319	1.1
333.25598	1.4
335.27405	1.4
348.28082	4.2
349.28748	0.8
376.31165	1.5
391.33588	100.0
392.33902	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	391.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.9
56.96549	2.6
57.03423	1.3
57.07059	4.0
60.00645	1.0
67.05505	10.9
69.07069	11.5
71.08619	2.0
79.05505	6.4
81.03393	1.1
81.07064	22.1
83.08615	6.1
85.02931	1.2
88.28432	1.0
90.24192	1.4
90.53191	1.0
91.05489	6.0
93.07056	11.6
95.08607	32.4
97.10149	3.1
103.05759	1.1
105.07030	11.4
107.08595	17.8
109.09474	1.3
109.10167	18.0
111.11707	1.7
117.07028	3.3
119.08581	11.8
121.10152	12.3
123.11731	7.5
126.99119	1.2
129.06998	4.5
130.07849	1.3
131.08565	10.5
133.10114	9.0
135.11691	6.7
137.13272	6.1
142.07735	2.3
143.08580	11.4
145.10133	17.0
147.11711	6.2
149.02353	18.2
149.13272	9.7
155.08604	5.4
156.09285	1.9
157.10133	11.7
159.11697	10.1
161.13240	4.2
163.14815	8.5
165.16376	2.0
165.70410	1.3
167.03371	2.6
169.10161	7.1
171.11710	11.9
173.13275	5.8
175.14864	6.8
177.16406	6.8
183.11694	9.1
185.13223	5.2
187.13187	1.7
187.14825	19.4
189.16426	5.4
191.17932	4.0
195.11732	2.3
197.13316	6.4
199.14847	5.6
201.16389	15.4
203.17953	3.8
209.13223	2.2
211.14850	3.8
213.16435	6.2
215.17952	5.6
217.19556	2.0
225.16396	4.6
227.18031	5.8
229.19551	4.6
237.16476	1.7
239.17906	7.0
241.19513	5.3
253.19514	18.3
255.21074	10.1
267.21069	8.4
269.10764	2.2
279.21158	1.7
281.22696	5.0
286.10596	1.3
293.22711	3.3
295.24213	38.6
307.24210	6.6
314.37161	1.2
321.25735	4.7
333.25836	1.5
335.27310	3.3
349.16785	1.3
349.28900	1.4
355.26544	1.2
391.24930	7.4
391.33585	100.0
392.33740	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00922	1.5
53.03935	2.3
55.05514	8.5
55.83544	1.5
56.96562	2.9
57.07059	5.2
61.02915	1.5
64.63477	1.6
65.25276	1.3
67.05502	13.7
69.07076	18.3
69.74712	8.1
70.45401	1.3
71.08628	3.5
79.05486	9.2
81.07056	34.4
83.08602	5.9
83.15436	1.3
87.16098	1.3
87.55473	1.3
91.05505	6.3
92.64299	1.4
93.07044	17.8
95.04931	2.0
95.08607	49.9
97.10162	6.2
105.07039	16.3
107.08591	22.7
109.10171	21.0
111.11707	1.8
117.07011	4.4
119.08586	21.0
121.10147	16.7
123.11695	14.1
129.06960	3.9
131.08578	25.2
133.10135	13.8
135.11678	13.0
136.47931	1.2
137.13278	11.9
141.06924	1.8
142.07747	3.1
143.08545	13.9
145.09041	2.9
145.10126	39.0
145.11292	2.1
147.11667	10.0
149.02347	23.1
149.13264	11.3
151.14868	2.0
155.08527	6.1
157.10103	11.4
158.10860	2.4
159.11682	13.4
161.13278	9.9
163.14812	12.5
167.08521	1.4
169.10120	7.7
171.11717	11.3
172.12505	1.8
173.13264	12.7
175.14818	21.6
177.16423	8.6
181.10124	2.3
183.11707	8.2
185.13242	7.9
187.14821	68.0
189.16391	28.9
190.00862	1.4
191.17920	11.2
195.11641	3.8
197.13252	6.8
199.14818	16.5
201.16383	42.4
203.17970	6.5
205.19411	2.0
209.13336	2.2
211.14764	6.4
213.16360	10.6
215.17953	6.3
217.19563	7.6
223.14891	2.4
225.16408	7.7
227.17966	5.4
229.19475	4.9
237.16400	3.0
239.17953	9.5
241.19463	8.9
243.21162	2.7
251.17847	2.7
253.19513	56.2
253.22174	2.9
254.20128	2.4
255.21127	6.8
256.26474	2.1
257.22693	4.1
257.26694	2.8
267.21082	9.9
281.22736	2.2
293.22507	2.4
295.24191	5.7
307.24088	2.9
321.25784	3.6
333.17633	1.5
333.25641	1.6
339.06122	1.9
348.28058	3.9
350.57202	2.1
391.25027	5.5
391.33575	100.0
392.33951	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	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57536	1.3
53.03955	1.5
53.43063	1.3
55.05513	7.4
55.33413	1.2
57.07068	4.1
59.36013	1.1
63.92977	1.2
67.05222	1.2
67.05508	12.5
69.07070	16.0
69.51653	9.3
71.08614	2.2
74.92839	1.3
79.05486	7.2
81.07063	34.1
83.08641	6.2
91.05487	10.1
93.07053	19.5
95.08609	56.7
97.10158	3.1
98.21481	2.7
105.02905	1.2
105.07032	20.1
107.08601	30.3
109.10171	20.1
117.07012	4.6
119.08585	23.9
121.02878	1.5
121.10159	17.1
123.11718	7.6
129.07013	2.8
131.08578	26.6
133.10141	15.4
135.11684	11.9
137.13254	11.9
141.07022	2.1
143.08580	9.6
145.10118	24.0
147.11705	11.3
149.02353	14.6
149.13278	15.1
151.14813	3.9
155.08574	4.9
157.10143	11.3
159.11707	18.2
161.13243	14.2
163.14819	19.5
167.03476	1.7
168.09329	2.8
169.10094	7.9
171.11670	5.9
172.12436	2.1
173.13272	12.6
175.14832	30.6
177.16397	11.7
182.10976	1.8
183.11693	9.5
185.13242	6.2
187.13144	2.9
187.14828	49.9
189.16391	53.9
191.17987	4.8
195.11714	1.8
197.13318	7.3
198.13992	1.4
199.14825	4.8
201.16389	47.7
203.17932	5.6
209.13251	2.5
210.14014	1.8
211.14835	5.8
213.16344	7.0
215.17969	9.1
217.19514	8.6
223.14911	1.9
225.16385	5.7
227.17949	7.7
229.19551	7.1
238.16995	1.5
239.17966	9.5
241.19460	11.5
243.21143	2.6
253.19522	100.0
254.19861	1.7
255.21082	10.7
257.22681	3.7
267.21082	7.9
269.22726	1.4
288.69708	1.4
293.22562	1.9
307.24319	1.4
333.25830	2.2
344.20056	1.7
348.28128	6.2
349.28674	2.2
376.31482	3.2
391.33582	95.7
392.34375	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67526	1.6
56.96564	2.0
57.03446	2.4
61.02930	2.4
69.03423	6.2
69.07059	4.8
70.06594	8.2
70.65864	3.7
73.02914	1.8
74.06068	9.9
74.21196	1.7
79.05482	2.3
81.03410	4.0
81.07028	1.9
85.02907	15.1
91.03986	2.2
91.05456	3.1
93.07034	1.9
95.04948	3.5
97.02883	5.0
98.06045	4.2
98.97579	3.8
99.04459	2.8
103.05449	3.9
105.07037	5.2
106.55068	1.8
107.04960	40.2
109.02879	4.6
110.06062	3.7
110.20701	1.7
112.07584	4.5
116.07072	4.0
123.04424	2.7
127.03899	5.2
129.05441	1.7
133.10159	1.8
134.10452	2.0
135.08072	11.7
137.02316	1.9
137.06029	2.5
140.07092	2.1
144.06563	4.8
145.04930	3.0
147.04370	1.8
147.08098	2.8
153.15546	1.7
163.07544	29.2
167.07043	89.0
175.39211	1.6
180.07684	2.9
194.16095	1.8
195.10168	25.4
195.11859	1.8
212.14514	2.6
213.11238	100.0
230.13712	1.8
230.15796	3.3
281.87292	1.8
375.12067	2.7
393.24527	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02179	0.4
55.01853	0.4
57.03442	0.7
61.02927	0.9
66.19158	0.5
69.03421	2.0
70.92535	1.1
71.04993	0.5
79.05473	2.3
81.03423	1.1
85.02906	8.4
86.95827	0.4
88.95997	0.5
91.05524	1.1
95.04949	0.8
97.02883	2.1
103.05479	2.8
103.90312	0.5
105.07036	2.3
107.04960	29.1
107.08596	0.5
108.07610	0.4
115.05448	1.3
115.68231	0.4
117.07007	0.9
123.04397	0.7
124.05238	1.0
127.03926	1.3
127.55113	0.6
131.04929	0.7
135.08054	9.4
137.05998	0.6
145.04973	1.4
145.07602	0.9
145.60211	0.4
149.06023	0.7
154.06213	1.3
161.57957	0.5
163.07553	26.9
167.07045	67.6
168.07425	0.8
168.43503	0.5
180.07718	0.9
181.08595	1.1
190.76601	0.5
195.10182	22.2
196.10480	0.5
198.08873	0.5
199.36960	0.6
213.11223	100.0
214.11566	0.7
321.13370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
57.03426	1.0
61.02916	1.1
67.05499	1.4
69.03430	2.8
69.07061	0.8
69.84229	0.9
69.84647	1.1
70.06596	0.6
71.04983	1.1
72.08125	0.7
73.02900	0.8
79.05502	0.5
81.03404	1.7
81.07045	0.5
82.06593	0.9
85.02911	7.4
85.06516	0.5
87.04488	0.8
91.05476	0.9
93.07039	0.6
94.06572	2.4
95.04968	1.3
95.08587	0.4
96.04494	0.5
96.08119	0.5
97.02888	2.7
98.97584	1.2
99.04448	1.0
103.03910	0.5
105.07024	0.5
106.06570	0.5
107.08576	0.7
108.08106	1.1
109.02882	1.1
109.06516	0.8
110.06045	3.3
112.07631	0.8
113.06017	0.9
116.98550	0.4
120.08109	1.0
121.06515	0.5
122.06036	8.0
122.09626	1.2
123.04434	0.8
124.07607	2.5
126.09088	0.5
127.03905	1.7
131.00183	0.4
131.08580	1.3
133.08899	0.6
134.09641	1.4
135.08046	1.2
136.07578	2.1
136.11241	0.8
137.06018	0.4
138.09128	3.4
139.07515	1.4
140.07068	13.0
142.08662	0.6
145.03502	0.5
145.04970	0.6
148.11227	3.1
149.02361	1.2
149.06017	0.5
149.09639	2.0
150.02649	0.8
150.09142	1.1
152.07053	0.6
153.01761	0.6
153.05516	0.5
154.07370	0.9
154.08635	16.3
156.10243	0.9
161.08328	0.4
164.10658	0.4
165.09386	0.3
166.12274	4.5
167.10681	1.2
168.10243	1.2
176.10736	2.6
177.09137	1.0
194.11775	9.6
195.06541	1.1
195.10168	0.5
212.12813	6.9
219.01729	0.5
228.12337	0.5
230.13885	100.0
231.14185	1.1
263.17468	0.4
273.25586	0.4
392.10944	0.5
392.19287	2.9
400.57852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.152
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05028	1.6
69.07053	0.3
69.26237	2.3
70.06571	0.4
71.04965	0.6
79.05478	0.4
79.75652	0.3
81.07035	0.7
85.02905	0.7
93.07062	0.3
95.08634	0.4
98.97587	0.5
105.07019	0.5
107.08553	0.4
123.04398	0.4
123.11755	0.6
124.05051	0.5
130.05009	1.0
132.05695	0.4
135.27655	0.3
137.05927	0.7
140.03433	0.9
142.29549	0.3
148.93031	0.3
149.04605	0.6
166.07326	0.7
172.06049	1.3
175.14903	0.3
177.05530	0.5
177.09132	0.5
189.06490	0.6
189.10120	0.6
192.07764	0.3
197.11755	0.4
201.06467	2.2
202.07309	1.5
203.08058	1.8
204.08832	6.7
212.09161	0.3
215.07982	2.1
216.08821	100.0
217.09659	2.6
218.10413	5.1
223.93848	0.3
225.04239	0.5
225.06458	9.3
226.07248	3.0
227.08006	1.2
228.08830	0.9
229.09563	1.1
230.10390	9.5
240.08818	56.1
241.09497	2.0
242.10313	0.5
246.07353	0.4
246.09882	7.9
255.09833	0.7
256.08289	0.4
258.09915	2.5
268.08325	5.6
272.11453	3.9
283.09305	1.5
300.10931	52.8
301.11130	0.7
311.08929	1.1
315.11899	0.5
326.74564	0.3
333.13065	3.3
339.92453	0.3
343.11542	2.5
361.12610	4.8
375.14191	5.4
393.15195	37.1
394.15479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1888
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05500	1.0
57.07099	0.5
59.36788	0.4
67.05508	2.5
69.03423	0.9
69.07056	2.0
69.61143	0.5
70.55994	1.1
71.04995	1.6
75.51364	0.5
79.05495	1.4
80.06390	0.4
81.03394	0.7
81.07080	3.3
83.04948	0.7
83.08591	0.7
85.02908	1.4
85.06532	1.5
91.05470	0.6
93.07031	2.6
95.04945	0.8
95.08601	3.2
97.02879	0.5
97.10174	0.8
99.08115	0.6
105.07029	1.3
107.08610	2.4
109.10169	5.4
111.08082	1.1
115.29188	0.4
116.01666	0.5
118.66507	0.5
118.70890	0.4
119.08573	1.3
121.10154	3.2
123.04429	0.9
123.11701	1.4
131.08548	0.7
132.98734	0.5
133.10130	0.9
135.11684	1.6
137.06007	0.8
137.13356	0.4
139.11177	0.6
142.59033	0.4
149.13234	0.9
153.12772	0.8
161.05980	0.6
161.09605	0.6
162.02264	0.8
167.07056	11.6
174.06699	0.4
177.09135	1.8
177.16420	2.6
189.09073	0.9
193.08626	1.4
195.17422	3.6
213.18530	8.9
231.13759	0.8
231.19589	1.4
253.18039	1.5
272.10928	0.6
303.23141	1.1
321.24359	1.0
393.18845	100.0
394.19211	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	393.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99208	0.6
55.01869	1.1
55.05505	0.8
56.71140	0.6
56.96568	0.9
63.84887	0.5
67.05493	1.9
69.03427	2.1
69.07070	1.2
69.45086	1.1
69.45482	3.9
78.04707	0.9
79.05492	4.1
81.03406	1.3
81.07061	2.8
82.14150	0.5
83.04970	0.9
85.02908	2.5
91.05495	4.7
93.07068	3.3
93.72136	0.6
95.04976	1.3
95.08614	1.9
97.02904	1.0
97.06526	0.8
98.97604	1.1
99.04469	0.6
103.05489	1.8
105.07042	9.8
105.08396	0.6
106.01130	0.7
106.04100	0.8
107.04964	1.0
107.08595	2.9
109.02883	1.3
109.06503	1.0
109.10192	1.4
115.05460	3.0
117.07034	3.4
118.04207	0.7
119.04945	1.8
119.08515	0.7
119.61331	0.6
121.06560	1.5
121.10146	1.4
123.04444	2.4
123.08083	2.6
127.03922	1.3
128.06265	0.7
131.04927	1.7
131.08595	0.9
132.05717	1.2
133.06512	10.9
133.10147	0.9
133.80406	0.6
135.08078	1.3
137.05980	2.7
143.08586	1.5
145.06487	0.7
147.04382	0.6
147.08046	0.8
147.11697	0.7
149.06023	0.9
151.03987	0.7
151.07574	12.4
152.04683	1.1
160.05232	1.2
161.05988	9.6
162.06720	2.4
167.07071	14.0
171.07991	0.6
175.07608	1.3
177.09132	100.0
178.09480	1.5
179.07143	0.9
179.10815	0.7
192.07869	2.2
193.08633	45.7
194.09019	1.0
195.10204	7.0
195.13779	0.6
201.44020	0.7
203.10620	0.8
221.11771	7.4
267.14474	0.6
375.14893	1.2
393.16403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	1.0
55.05512	0.9
56.96581	0.6
57.03393	0.9
58.56713	0.5
60.53041	0.6
67.05486	2.3
69.03419	2.1
69.07052	2.1
69.85477	1.1
69.85871	2.0
70.78947	0.6
71.04993	1.3
78.04682	1.0
79.05506	3.7
81.07063	4.2
83.04970	0.7
83.08595	0.9
85.02890	2.2
85.06548	1.5
91.05470	4.8
93.07047	4.0
93.30221	0.8
95.04925	1.6
95.08632	3.1
97.02904	1.0
98.21484	1.3
98.97594	1.2
103.05456	1.6
103.26643	0.6
105.06382	1.1
105.07025	11.1
107.04959	1.4
107.08580	2.2
109.02888	0.8
109.06534	1.6
109.10157	2.2
115.05422	2.9
117.07008	3.6
119.04967	1.5
119.08556	1.4
121.06492	1.9
121.10138	1.4
123.04391	1.8
123.08057	2.1
123.11725	1.3
127.03905	1.9
131.04913	1.0
132.05707	1.2
133.06497	10.8
133.10121	1.5
135.08049	1.7
137.05965	1.5
137.09581	0.7
143.06052	1.3
143.08546	1.3
144.05612	0.8
145.06529	0.6
147.08054	1.1
149.06041	1.0
149.09511	0.8
151.03926	0.9
151.07556	9.3
160.05136	1.3
161.05992	10.8
162.06732	2.8
167.07047	16.5
175.07541	2.0
177.09105	100.0
178.09528	1.7
190.16472	0.8
192.07831	1.3
193.08606	48.2
195.10175	7.4
203.10641	1.5
213.14992	0.8
221.11732	8.0
236.56032	0.8
266.76538	0.7
303.23410	0.6
371.08032	0.8
393.11264	0.9
393.16364	1.5
393.67126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.5
57.07078	3.6
65.65500	1.8
67.05510	7.1
69.03435	3.2
69.07079	11.5
71.04998	4.0
71.54276	2.5
79.05511	3.6
81.03426	2.7
81.07075	16.8
83.08630	9.9
85.02914	4.8
85.06550	6.4
91.05470	3.5
93.07049	10.6
95.08618	28.5
97.06546	1.9
97.10177	5.5
99.08083	3.2
105.07067	5.4
107.08605	28.1
109.02934	2.1
109.10170	19.5
111.08126	2.9
119.08615	3.4
121.10166	57.2
123.04432	3.6
123.11723	16.5
125.09663	2.8
127.03971	1.9
131.08563	1.6
133.10153	3.0
135.11710	19.2
137.06042	1.9
137.09677	2.0
137.13281	12.5
139.11223	5.9
143.08588	1.9
149.13336	10.5
151.14857	1.8
153.12766	2.9
158.91164	1.9
161.06122	2.0
165.16426	6.2
167.07095	8.7
177.16409	100.0
183.17480	8.9
193.08641	3.2
195.17448	25.6
197.11734	2.3
213.18561	9.3
231.19566	37.5
292.39798	1.7
349.12662	3.6
393.11295	4.2
393.18732	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	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.5
57.07078	3.6
65.65500	1.8
67.05510	7.1
69.03435	3.2
69.07079	11.5
71.04998	4.0
71.54276	2.5
79.05511	3.6
81.03426	2.7
81.07075	16.8
83.08630	9.9
85.02914	4.8
85.06550	6.4
91.05470	3.5
93.07049	10.6
95.08618	28.5
97.06546	1.9
97.10177	5.5
99.08083	3.2
105.07067	5.4
107.08605	28.1
109.02934	2.1
109.10170	19.5
111.08126	2.9
119.08615	3.4
121.10166	57.2
123.04432	3.6
123.11723	16.5
125.09663	2.8
127.03971	1.9
131.08563	1.6
133.10153	3.0
135.11710	19.2
137.06042	1.9
137.09677	2.0
137.13281	12.5
139.11223	5.9
143.08588	1.9
149.13336	10.5
151.14857	1.8
153.12766	2.9
158.91164	1.9
161.06122	2.0
165.16426	6.2
167.07095	8.7
177.16409	100.0
183.17480	8.9
193.08641	3.2
195.17448	25.6
197.11734	2.3
213.18561	9.3
231.19566	37.5
292.39798	1.7
349.12662	3.6
393.11295	4.2
393.18732	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	393.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.0
56.49023	1.5
57.07061	3.7
61.31816	1.2
62.35828	1.4
67.05508	7.6
69.03444	3.1
69.07066	14.0
71.04994	3.8
71.54437	1.4
79.05479	6.0
81.03416	3.3
81.07047	17.2
83.04963	3.0
83.08614	10.9
85.02875	5.2
85.06534	4.2
91.05473	3.6
93.07053	14.2
95.08609	32.1
97.02920	1.6
97.06488	2.0
97.10155	4.8
98.97561	1.2
99.08086	2.4
105.07029	6.0
107.08598	32.2
109.06488	1.5
109.10159	18.8
111.08084	3.5
111.11687	2.2
117.93542	1.3
119.08578	5.0
121.06525	1.3
121.10147	60.7
123.08083	1.9
123.11714	16.3
125.09626	2.3
125.13237	1.7
129.60258	1.4
133.10150	2.4
135.11697	23.7
137.13283	13.3
139.11159	5.3
145.10042	1.5
147.11661	1.4
149.13234	8.4
153.12772	1.6
161.05922	1.6
165.16418	8.5
167.06996	4.9
167.10634	2.1
177.16389	100.0
183.17424	9.5
193.08691	1.6
195.17444	24.3
213.18448	9.2
231.19559	44.0
248.15155	1.7
393.10910	7.5
393.19064	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
53.37476	2.7
55.05520	16.4
57.07063	8.6
57.37672	2.7
59.05000	7.0
65.03939	3.2
67.05514	37.3
68.05831	2.9
69.03416	3.2
69.07072	22.3
79.05493	35.0
81.07065	67.7
83.04973	8.1
83.08625	9.2
85.10232	2.7
91.05487	53.0
93.07053	80.4
95.04974	54.8
95.08054	4.5
95.08617	62.2
97.06527	12.0
103.05498	4.0
105.07042	95.0
107.08602	49.6
109.06548	13.4
109.10175	26.3
111.08102	3.1
111.77370	2.8
117.07024	22.4
119.06057	2.4
119.08584	100.0
121.06516	19.7
121.10145	45.0
123.08063	6.8
123.11696	11.4
128.06186	7.9
129.06979	17.2
130.07779	8.8
131.01158	2.4
131.08578	45.7
133.10144	55.1
135.08031	6.9
135.11703	24.3
137.09592	3.0
141.06972	5.0
142.07806	21.2
143.08571	35.6
144.09305	11.5
145.10135	75.1
146.07233	3.6
147.08073	4.4
147.11674	27.6
149.09621	7.5
155.08560	13.1
156.09325	10.0
157.10138	54.6
158.10895	6.9
159.07991	2.9
159.11707	42.1
161.09663	20.2
161.13272	11.3
163.11171	5.6
165.07016	7.6
167.08557	6.4
169.10130	23.7
170.10957	4.7
171.11697	28.8
173.09665	3.4
173.13277	29.3
175.11205	10.6
175.14790	15.4
179.08562	6.0
181.10075	10.6
182.10852	4.0
183.11705	16.6
185.13260	14.2
187.11195	7.8
187.14816	9.7
189.12746	3.3
192.09387	3.4
193.10197	4.5
194.10963	5.4
195.11681	10.3
196.12386	3.5
197.13286	14.7
198.13966	4.4
199.14833	7.6
201.16356	8.2
206.10837	3.0
207.11702	5.1
209.13292	12.5
211.11200	3.0
211.14832	13.1
213.16386	4.1
221.13231	4.1
223.14801	7.8
225.16376	6.4
233.13130	3.6
235.14732	3.6
239.14372	3.7
239.17896	4.4
253.15913	5.2
253.19470	7.7
265.19470	3.8
281.19101	3.0
283.20825	3.6
376.25946	4.4
393.27740	9.1
393.34924	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	394.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73784	1.8
55.01879	14.3
55.15953	1.9
56.96556	3.0
58.99591	10.0
61.01150	3.5
62.99090	10.4
67.05501	6.8
68.70783	1.8
69.03423	4.0
69.07076	68.4
70.01443	9.2
70.06586	1.8
72.08148	5.3
74.00666	17.1
76.03996	4.8
80.34443	2.0
80.46648	2.4
81.03413	3.3
83.06100	5.5
84.04515	49.8
85.02901	9.3
86.09704	4.5
86.99071	9.3
88.02225	7.5
91.05458	3.8
93.07037	4.2
95.04990	2.1
97.02881	5.5
98.97592	8.2
99.04484	2.7
99.05657	2.3
101.04253	20.6
109.02869	3.0
112.03970	13.6
115.40762	2.1
116.01687	37.2
117.03722	18.7
119.05290	31.3
127.03931	2.5
127.05799	11.4
129.06593	14.0
130.05011	44.6
135.69846	1.8
137.06004	8.2
144.01149	18.3
144.08438	5.0
145.06889	29.2
153.01817	7.4
160.00610	2.3
162.02216	74.7
162.09546	13.1
165.05527	5.9
167.02922	2.5
174.02220	4.2
177.03262	3.8
186.05742	2.1
191.07454	2.1
197.08060	6.5
215.09319	2.6
230.08490	42.4
237.02824	2.7
247.11147	4.7
248.09537	100.0
265.12186	55.2
271.10703	2.1
319.13248	31.7
334.07498	2.5
358.07959	2.3
376.15439	3.2
377.13382	2.7
394.16537	13.6
395.13873	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	394.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85211	0.9
53.03944	1.4
55.01857	2.5
56.96561	4.8
57.03421	3.3
57.07066	1.0
61.02913	4.1
69.03432	11.0
69.75935	3.6
69.76357	2.1
72.08138	1.1
73.02909	4.4
79.05502	1.2
81.03432	4.8
84.04478	1.3
84.96019	1.6
85.02905	29.7
87.04457	2.2
88.07614	1.3
91.03942	1.4
91.05480	8.4
93.07030	1.1
95.04974	1.3
97.02909	10.1
98.97580	18.7
99.04468	3.2
101.00934	1.3
107.04963	2.1
107.58020	0.9
108.85543	1.2
109.02873	4.0
109.06540	1.0
110.97554	3.4
114.19760	1.0
116.98647	9.2
119.01893	2.7
119.04951	26.4
121.02830	1.0
121.06485	3.3
122.03648	2.5
123.04455	1.1
127.03906	9.1
128.98598	3.9
131.01913	2.1
134.99672	1.8
135.04398	1.1
137.05983	100.0
143.00166	2.1
143.01880	3.1
144.02075	2.7
145.03352	1.3
145.04953	5.4
147.04414	49.1
149.05968	3.2
151.07513	3.8
153.01848	1.6
155.01865	1.7
157.01685	1.3
158.99622	5.8
160.32747	1.1
161.01263	1.1
161.02969	4.1
162.03088	2.6
163.07533	1.4
165.05513	1.6
166.07188	1.1
167.07048	6.7
170.99652	1.1
172.03731	1.2
173.02977	2.6
174.03156	1.2
177.00703	4.8
177.05460	4.7
179.07039	60.9
181.08614	1.7
187.04366	1.2
189.00626	1.5
197.08098	22.7
201.00621	1.8
208.04849	1.2
209.08060	2.0
214.04967	2.0
219.01689	5.4
221.04941	1.5
222.05229	1.3
223.05441	7.9
223.55617	2.3
227.09204	1.1
232.05933	3.7
233.67416	1.5
237.02782	4.2
246.05545	1.2
255.03574	1.0
263.06335	1.6
265.03751	1.9
277.03299	2.5
280.07059	3.4
285.75256	0.9
289.07645	5.2
289.57748	1.4
294.11057	2.8
295.07681	9.9
295.57684	1.5
300.99442	1.2
304.08047	9.8
304.58249	3.3
313.08716	5.0
313.58649	1.2
353.07117	1.8
371.08105	1.1
372.53943	1.2
376.11728	1.6
394.13568	8.6
395.13712	1.1
413.82251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54708	1.0
61.02901	1.7
69.03428	6.7
70.01278	5.5
74.29685	1.1
76.59015	1.0
79.05493	3.3
84.04488	1.6
84.08143	8.6
85.02910	14.9
86.09724	1.4
91.05476	15.1
97.02906	6.1
98.06046	1.1
98.97557	2.8
99.04417	1.7
107.04932	6.0
109.02885	1.6
110.97602	1.6
119.04944	43.6
121.06506	4.0
127.03921	6.5
131.67554	1.1
135.04424	11.4
137.05980	35.1
145.04958	4.7
147.04413	75.4
149.05991	7.4
151.07568	7.9
163.06006	1.1
163.07423	1.3
165.05406	1.4
167.07065	22.3
169.13347	1.3
177.05487	1.7
179.07034	100.0
191.06976	2.3
197.08119	5.6
202.89719	1.1
215.06975	2.5
219.01764	1.6
229.08603	2.3
233.07936	1.6
237.02829	1.9
267.52621	1.1
289.07431	1.0
293.10065	1.3
311.11310	8.2
316.72302	1.2
323.11035	1.5
330.20395	1.7
394.19653	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.0
55.05507	1.9
58.39921	0.9
59.36626	0.9
67.05497	2.3
69.03417	3.0
70.06541	1.5
71.04974	2.2
71.08027	1.6
71.08331	0.9
72.08155	1.6
73.02889	1.6
79.05484	2.6
81.03439	2.2
81.04646	1.1
81.07060	12.6
85.02915	5.8
86.06042	1.1
86.09720	1.6
91.05468	1.6
93.07049	1.6
95.08563	1.3
97.02908	2.4
98.97495	1.2
99.04473	1.5
105.07014	2.7
106.02893	2.6
107.08623	1.3
109.02841	1.4
109.06534	8.1
109.10179	2.1
111.04447	1.2
111.08024	1.1
112.07600	1.3
119.04823	1.2
119.08612	1.9
120.08083	3.6
121.06544	1.4
124.03960	2.9
125.05996	7.0
125.09637	1.2
127.03937	3.1
133.10123	3.5
137.05986	100.0
137.09621	2.9
139.07433	1.0
151.11169	2.4
161.09656	6.1
167.07149	1.4
179.10684	47.1
192.07777	1.3
193.08272	1.8
197.11751	68.7
215.12766	3.9
232.09865	1.4
265.58850	1.1
268.07986	1.1
376.12186	3.8
394.13544	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	394.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.05511	9.9
56.96557	3.0
57.03431	4.3
61.02934	2.3
67.05504	13.5
69.03431	8.5
69.07073	15.4
69.77689	1.4
71.04998	5.4
71.20370	2.1
71.20717	2.2
78.99388	1.6
79.05495	8.1
81.03429	3.6
81.07058	39.1
83.05013	2.2
83.08611	10.0
85.02906	25.0
85.06520	5.1
91.05486	12.0
93.07056	13.6
95.04972	1.8
95.08609	48.7
97.02891	8.1
97.06532	10.8
97.10176	5.9
98.97578	1.4
99.04465	1.8
99.08105	5.3
105.07032	14.9
107.08595	6.4
109.02856	4.0
109.06551	2.6
109.10144	3.6
111.08118	3.5
113.09652	2.4
115.07538	3.6
119.08580	23.4
119.09372	2.2
121.10158	6.4
123.08064	5.4
125.09566	1.5
127.03929	6.5
133.10130	17.3
135.11693	15.6
137.05936	1.6
137.09598	2.7
137.13287	13.6
137.90184	1.5
141.09096	2.3
145.04962	3.3
159.11687	1.5
161.13254	66.9
162.13745	1.8
179.14319	100.0
196.84369	1.3
197.15381	49.7
215.16438	12.2
288.25327	3.1
359.34348	1.5
394.19107	1.8
394.31302	2.0
395.20792	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	394.2587
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
50.59410	0.5
55.05495	0.7
57.07077	4.8
58.06584	1.3
58.76414	0.6
62.39422	0.5
65.03928	2.2
70.06594	12.6
71.08607	1.1
71.27303	0.8
79.67341	0.6
81.51321	0.5
85.10153	0.8
88.07627	16.3
88.76457	0.5
93.07011	0.8
95.04943	0.5
95.08582	0.6
97.02877	0.6
98.20876	0.6
102.09184	11.3
113.02340	0.6
121.02832	0.9
133.25845	0.5
139.03850	1.3
149.02344	68.0
149.03416	3.8
153.12012	0.5
164.97708	0.6
180.31273	0.5
184.20531	1.2
193.04959	80.5
228.23227	42.1
394.25876	100.0
395.26041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.50200	2.1
56.96561	4.7
57.03434	6.0
58.99869	4.4
61.02929	6.8
67.05518	2.5
69.03428	15.0
69.30833	14.5
70.06594	2.7
70.99843	2.8
71.04983	2.1
73.02924	5.7
73.91274	2.3
74.06076	6.4
77.00909	3.1
81.03426	6.8
82.99876	7.4
83.04949	2.7
85.01414	6.0
85.02908	37.0
88.07642	2.5
89.00871	3.1
95.04960	2.8
97.02908	14.3
98.97575	11.7
99.04456	5.2
101.00890	60.3
103.02428	11.4
109.01440	2.3
109.02895	3.2
110.97578	3.0
112.07569	2.3
113.00870	21.3
115.02448	15.5
116.98668	2.3
117.04010	9.4
119.01934	97.9
121.01681	3.2
121.03535	2.9
127.02460	18.1
127.03904	14.1
128.98616	2.9
129.03986	6.0
130.08609	2.8
131.01921	56.1
133.01640	2.4
133.03508	22.6
135.03159	2.4
135.05023	3.4
137.02948	8.0
139.02411	4.1
141.04004	6.3
142.03549	2.6
143.00194	2.9
143.01915	44.8
144.02032	2.8
144.99765	3.3
145.03482	81.4
145.04971	7.4
146.03522	2.7
147.01402	9.7
147.03221	2.7
147.05093	4.7
149.01239	3.0
149.02991	11.7
151.04558	2.9
153.01863	11.9
153.04047	2.8
155.01900	27.3
157.01572	3.3
157.03468	17.6
158.99608	4.8
159.01447	10.4
159.03172	2.7
159.05064	27.3
161.02965	49.1
163.02725	2.7
163.04536	12.0
166.07251	4.8
167.07021	4.0
168.99841	5.6
169.02065	4.7
169.03477	68.7
171.01395	21.8
171.05054	25.3
172.99342	4.6
173.02966	40.0
173.06494	2.6
174.03043	2.4
174.99104	4.6
175.02907	2.8
175.04495	11.2
177.00928	3.4
177.02434	13.3
179.01929	2.8
181.03424	13.6
183.01411	5.6
183.05003	4.0
184.05016	2.3
185.03027	19.8
185.06674	3.1
187.00967	12.3
187.04539	90.6
188.04512	2.3
189.00742	5.2
189.02419	35.0
189.04065	4.5
189.06123	8.4
191.03993	8.2
193.00232	3.6
196.99376	5.7
197.01431	2.0
197.03021	14.8
199.00854	17.6
199.04535	26.5
201.02415	14.9
201.04088	2.4
201.05998	3.5
202.45601	2.1
203.02234	3.3
203.03999	21.9
203.07587	3.3
205.01959	3.9
205.03783	3.4
207.01740	3.9
207.03519	14.2
211.00955	2.8
211.04578	2.9
213.02483	20.2
213.10284	2.8
215.00404	14.4
215.03970	14.3
215.11818	7.1
217.02010	21.9
217.05499	3.2
219.01657	3.9
219.03500	6.6
221.05038	18.9
223.04832	2.7
225.02539	8.6
225.10265	2.6
227.04007	6.4
229.01915	6.6
229.05658	3.6
231.03511	44.0
233.01387	3.7
233.04999	3.3
233.15005	11.2
237.02785	4.4
239.06042	3.7
241.01988	3.6
242.99937	10.8
243.03508	6.2
243.11311	5.4
245.01443	3.2
245.05165	11.5
247.03119	6.1
247.06615	3.7
249.04614	11.4
257.01407	8.6
257.05081	5.2
257.09195	2.6
259.02856	5.3
259.10706	2.9
261.04660	6.7
261.08273	6.5
263.06137	12.3
265.04178	3.0
265.07944	3.3
271.06680	2.7
271.10910	17.5
275.02496	100.0
275.06104	75.2
275.09561	3.4
275.10385	3.6
277.03677	10.0
279.03885	2.8
279.09280	9.3
285.00891	3.5
285.12512	2.6
287.02481	47.7
287.06015	6.2
289.04227	5.3
289.07703	5.8
291.05789	3.2
293.03564	18.7
293.07104	6.1
301.04163	4.6
303.01984	42.0
305.03506	23.5
305.07053	6.7
307.05200	3.1
313.11823	3.9
315.13345	4.4
317.03662	12.2
317.06866	3.6
319.05194	7.7
320.13452	2.4
321.02823	2.9
323.10376	4.2
333.06616	4.3
335.04642	28.7
341.11255	5.2
345.03049	2.8
349.14191	3.1
353.07214	4.5
359.04596	7.4
359.12268	8.7
363.04132	10.1
377.05627	16.9
377.09573	2.8
377.13364	12.6
395.06284	8.0
395.10083	16.9
395.14752	61.4
404.50815	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53323	0.5
69.58041	3.3
74.96753	0.5
91.05383	0.6
94.26022	0.5
95.62875	0.5
185.04295	3.3
209.37212	0.5
217.04778	1.1
232.07082	10.8
233.07866	7.3
275.79648	0.5
278.74228	0.5
364.11392	1.4
365.12265	0.7
373.36334	0.5
395.13184	100.0
396.13516	2.1
404.08142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
56.21988	0.4
56.93538	0.5
56.96577	0.6
57.70907	0.5
69.03423	1.0
69.56091	2.6
71.05016	0.6
79.05513	0.5
81.07073	0.8
83.04995	0.4
85.02907	1.1
86.09716	0.5
91.05494	2.8
95.99427	0.4
97.02907	0.6
98.97592	1.3
107.08630	0.5
115.07536	0.6
120.21961	0.4
127.03864	0.4
133.24229	0.4
142.07713	0.4
158.99657	0.5
185.04262	3.2
214.08707	0.5
215.09021	0.7
217.04767	0.8
222.08302	0.7
232.07111	6.1
232.09491	0.7
233.07852	6.8
233.09991	0.6
250.06516	0.4
277.00659	0.4
359.12662	0.5
364.11523	0.6
395.13174	100.0
396.13632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
69.03416	0.8
70.94808	1.0
70.95160	0.4
77.63648	0.4
83.30334	0.5
85.02898	1.1
93.56060	0.5
97.02917	0.9
98.97588	0.6
101.06027	0.5
127.03940	0.9
147.94943	0.5
157.47594	0.5
187.08714	0.6
199.08688	1.9
200.09451	1.6
201.10289	1.2
210.78972	0.5
211.08659	3.3
212.09541	0.9
213.10228	5.0
214.11032	1.3
215.11787	8.7
217.09752	1.5
225.10156	3.1
226.10976	1.0
227.08162	1.0
227.11827	0.7
229.09727	1.7
231.11320	1.2
232.07161	0.6
239.08153	2.3
239.11771	3.3
240.08978	1.5
241.09666	2.7
241.13390	3.4
242.10480	3.8
243.07800	0.8
243.11298	7.4
245.09354	1.3
249.10007	0.8
251.11778	0.7
253.09798	5.7
254.10440	0.7
255.11217	0.6
256.12112	0.5
257.09143	3.8
257.12900	1.4
259.10806	4.0
263.10193	2.1
267.11356	3.2
268.08408	1.6
269.12839	3.9
271.10770	28.0
275.10281	1.9
285.09009	0.8
285.12247	5.3
287.13855	2.2
295.10666	2.3
297.12289	6.1
300.11169	1.2
303.09781	1.2
303.13501	1.7
313.11826	8.0
315.13345	6.4
321.10825	2.1
323.10175	2.5
331.12885	2.4
333.14441	1.9
341.11270	7.4
349.14069	1.6
359.12363	12.1
377.13419	15.4
395.14471	100.0
396.14819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.0
57.07084	11.7
57.81385	1.8
59.04996	4.2
67.05501	21.5
69.03418	4.7
69.06789	1.6
69.07067	17.6
69.32129	8.8
69.32555	6.5
71.04989	6.9
71.08627	5.0
72.87769	1.7
73.06551	2.2
77.02996	1.7
79.05483	8.0
81.03380	2.6
81.06583	3.7
81.07055	60.8
83.04976	1.7
83.08616	25.5
85.02908	13.2
85.06544	16.0
91.05475	3.8
93.07029	5.2
95.04996	3.1
95.08607	93.3
97.02880	4.7
97.10169	17.6
98.97565	1.9
99.04492	1.8
99.08075	8.0
99.08665	2.0
101.09660	8.4
105.07013	6.6
107.04948	2.6
107.08581	5.1
109.02901	2.2
109.10158	89.1
111.11812	2.2
121.10155	3.7
123.11700	72.2
127.03892	2.7
127.11170	5.5
131.08586	4.3
133.10133	4.8
136.30089	1.8
137.13234	13.1
139.14771	1.9
141.12711	3.1
143.08514	3.2
145.10120	4.5
148.42673	1.9
159.08046	2.5
167.07224	1.8
179.17947	100.0
197.19019	71.8
200.96364	1.9
215.20062	55.4
217.12186	3.5
222.07414	1.9
227.07100	1.8
228.00949	1.7
233.11749	7.0
233.21095	25.2
251.11404	2.8
255.10820	2.6
293.16003	4.2
335.16940	5.0
395.20200	16.6
413.20227	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	395.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
54.12028	1.7
55.01867	3.6
55.05513	16.7
57.03432	3.5
57.07066	5.5
59.04992	5.6
62.14032	1.9
65.03952	2.6
65.56757	2.0
65.77419	2.1
67.05504	25.3
69.03420	13.7
69.07062	26.5
70.02534	8.3
71.04996	15.9
73.45702	1.7
79.05502	21.0
81.03407	4.2
81.07059	100.0
83.04980	6.5
83.08624	9.8
84.81131	1.8
85.02888	8.1
85.06550	18.7
86.09669	2.1
87.04434	2.1
91.05483	14.7
93.07045	45.4
95.04955	6.6
95.08611	50.2
97.02879	4.0
97.06522	12.4
97.10158	8.1
98.97582	9.8
99.04452	3.6
99.08073	8.9
101.05966	3.7
103.03973	2.2
103.05459	2.7
103.07579	4.0
104.55729	2.0
105.07033	39.6
107.04898	3.1
107.08599	57.1
109.06519	5.9
109.10157	35.9
110.06918	2.3
110.10427	2.5
111.04424	2.7
111.07382	2.7
111.08093	30.0
113.05993	2.2
115.07578	3.9
117.06968	3.1
119.08592	23.2
121.06522	3.1
121.10144	54.9
123.04443	5.6
123.08099	3.7
123.11710	62.4
124.07561	2.4
125.09650	25.2
127.11199	2.1
131.08574	6.8
133.10129	22.2
135.11710	16.0
136.07541	2.9
137.06004	2.7
137.09610	6.1
137.13242	6.9
139.11183	24.9
141.09143	2.0
145.06485	2.5
145.10123	8.9
147.04408	2.8
147.11681	21.6
149.05977	2.2
149.08107	2.3
149.09598	3.7
149.13240	9.1
151.03891	2.7
151.11185	16.7
153.12733	7.4
155.10648	5.8
158.99608	2.7
159.11655	7.2
160.61139	2.1
161.05913	2.0
161.13269	11.8
163.11150	2.3
163.14806	8.1
165.12776	21.4
167.07050	97.1
167.10641	4.8
167.14337	2.4
169.12263	27.6
173.13243	6.0
175.14801	6.6
177.00618	2.1
179.14284	5.6
181.04988	1.9
183.13768	7.7
187.13318	2.5
187.14746	3.4
189.16412	3.5
197.15308	2.9
199.14960	2.4
201.16408	4.1
206.08868	3.0
207.17465	3.4
211.09627	3.8
213.16415	3.3
215.09195	2.1
216.08804	4.4
217.09119	4.0
219.17447	5.3
237.18503	9.1
255.11263	2.3
257.22470	2.4
269.22629	6.0
287.23740	10.6
293.24716	5.0
301.10855	2.5
302.11270	4.9
305.24780	27.5
311.25809	2.8
323.25818	26.3
341.26947	3.5
351.10382	2.6
359.27835	2.9
363.11951	2.5
377.28809	4.8
394.67242	2.6
395.09232	11.6
395.13309	59.1
396.13474	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	396.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	8.8
56.96549	7.0
57.03419	3.3
59.45890	2.2
66.00346	2.1
69.03410	6.1
71.53748	2.5
71.54120	2.6
72.08131	3.8
73.06533	4.3
74.06082	100.0
81.03402	8.9
81.07051	2.0
83.04983	2.8
84.04510	3.3
85.02892	15.5
86.06045	2.3
86.09710	18.6
87.04465	5.5
95.04977	2.6
97.02877	10.0
98.06039	13.2
98.97556	6.7
99.04455	4.8
101.06028	4.6
102.05526	9.7
107.04932	2.2
109.02858	6.9
110.97617	2.9
111.04444	3.8
113.05957	2.5
116.06335	4.0
116.07101	49.9
116.07874	2.1
116.98608	4.3
118.08615	2.1
120.06580	37.1
120.08026	2.4
121.02874	3.2
121.48310	2.1
125.02335	2.7
127.03940	13.8
136.07561	4.1
137.02243	2.2
137.05965	3.1
139.03856	6.9
144.06567	61.4
145.04953	4.1
158.99605	3.1
162.07632	23.8
167.07045	2.9
181.08554	3.1
185.04323	2.5
185.39841	2.4
199.09599	3.6
204.08815	2.1
210.07483	3.1
213.88895	2.5
217.10643	2.4
219.01744	2.8
226.03807	2.4
226.22008	2.4
237.02792	3.0
252.08832	2.3
270.09750	8.7
276.14413	2.2
288.10846	11.1
306.11832	9.0
360.16461	6.9
366.13477	2.4
376.66245	2.4
396.13910	10.0
397.10904	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1473
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
53.03934	0.7
55.05492	0.4
56.96566	0.6
57.03427	0.8
64.24759	0.6
64.52344	0.4
67.05505	0.9
69.03426	0.8
69.07080	1.0
69.83299	0.5
70.65034	0.9
71.04983	1.0
81.03416	0.8
81.07057	0.9
85.02897	3.5
86.03228	1.0
86.06034	0.5
87.04462	1.0
89.06039	1.1
91.05463	1.2
93.07078	0.6
95.08608	0.9
97.02877	1.1
98.97582	1.4
99.04462	0.5
113.09734	0.6
115.03916	1.6
116.04280	0.5
116.98630	0.5
121.10166	0.6
124.07578	1.1
127.03957	1.3
133.04982	0.7
133.10149	0.6
137.05980	1.8
139.03912	1.0
143.08253	0.5
145.04962	1.9
147.04384	1.1
161.06032	0.6
171.07726	0.5
199.16959	0.7
217.14365	0.7
217.17877	0.7
235.09390	1.0
287.09027	0.7
320.07303	0.6
337.11243	0.5
375.19870	0.5
397.14731	100.0
398.15005	1.8
417.19464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1475
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.01873	0.5
55.05508	0.6
57.03423	0.9
57.61471	0.4
59.05001	0.6
61.02900	0.4
66.17172	0.3
67.05498	0.6
69.03425	1.5
69.07072	1.5
70.06587	0.4
70.76998	0.8
70.77386	0.8
71.05000	1.6
72.08167	0.7
73.02930	0.8
74.15456	0.3
75.43941	0.4
79.05505	0.8
81.03452	0.5
81.07068	1.1
85.02910	4.2
85.06568	0.6
91.05492	0.8
93.07059	0.4
95.08617	0.6
96.33058	0.4
97.02923	1.9
98.97600	1.5
107.08604	0.8
109.02895	0.7
111.08142	0.4
113.06011	0.4
115.03902	0.6
119.04928	0.5
120.04444	0.4
121.10172	0.5
123.04479	0.4
127.03929	1.2
137.05988	0.8
138.09164	1.0
145.04962	1.0
147.04379	3.3
150.18777	0.4
153.01857	1.2
158.99835	0.5
163.05896	0.6
164.07063	0.7
181.15863	0.5
185.04282	1.5
189.05269	0.7
192.11440	0.4
199.16985	0.8
219.01958	0.8
219.06329	1.1
234.08640	8.3
235.09431	6.6
236.12849	0.6
237.02922	0.7
273.06201	0.4
356.04321	0.5
367.13806	0.6
397.14795	100.0
398.15137	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	397.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
56.96581	0.4
57.03428	0.6
61.02925	0.5
62.20023	0.3
67.05497	0.8
69.03428	1.6
69.07063	1.9
69.48583	2.0
69.48990	0.5
70.06606	0.5
71.04990	0.6
72.19460	0.4
73.02899	0.7
81.03416	1.2
81.07052	0.9
83.04964	0.4
85.02905	3.3
85.06534	0.5
87.04450	0.4
89.06028	0.4
93.05951	0.4
93.07028	0.5
95.08622	0.9
97.02905	1.8
98.20813	0.9
98.97591	1.8
99.08041	0.5
101.06010	0.4
107.04948	0.4
109.10185	0.5
111.11674	0.4
119.04939	0.5
121.10128	0.7
127.03928	1.1
137.05972	1.0
145.04973	1.0
145.66238	0.4
147.04410	2.1
153.01801	0.7
163.06093	0.7
181.15846	0.5
185.04166	2.0
199.13245	0.6
199.16968	0.6
217.18004	0.6
219.06369	1.4
234.08636	7.4
235.09393	6.1
235.11508	0.6
235.19067	0.4
236.10364	0.4
236.12726	0.5
285.09381	0.5
379.14063	0.5
397.14740	100.0
398.15103	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	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.05503	2.4
59.05002	1.8
63.72569	1.4
67.05471	1.8
69.03427	3.5
69.07064	1.6
69.73174	2.5
69.73575	5.5
71.04990	1.7
73.02901	1.4
79.05495	3.8
81.03411	2.0
81.07056	4.7
83.04981	1.2
85.02896	5.4
87.48347	1.2
91.05472	9.1
93.07063	3.6
95.05006	1.4
95.08601	1.5
97.02871	3.0
97.06517	1.8
98.97588	1.9
103.03917	1.4
103.05474	3.9
105.07042	6.6
107.04987	1.3
107.08626	1.9
109.02882	1.6
109.06503	2.7
109.10137	1.8
111.04491	1.4
115.05501	3.0
117.07039	2.0
119.04947	7.8
119.08568	3.1
121.06510	5.6
121.10128	2.6
122.03658	3.9
123.08031	1.7
127.03932	1.7
128.06241	2.9
129.07010	5.7
131.04918	2.8
131.08562	5.3
132.47816	1.3
133.02856	3.3
133.06433	1.3
133.10130	3.7
135.04457	1.7
135.08043	2.2
137.05980	73.9
141.07002	5.1
142.07793	1.6
142.43141	1.2
143.08553	1.7
144.05722	2.7
145.06482	1.8
147.04443	3.4
147.11674	1.3
149.05978	8.1
149.09633	1.7
151.07527	10.2
153.02008	1.4
153.05540	1.4
153.07016	2.3
155.08575	3.6
157.06534	3.3
157.10097	2.2
158.07304	2.8
159.08083	5.9
159.11664	2.3
160.08827	1.4
161.06020	10.6
161.09625	6.8
161.13210	1.6
163.11237	1.8
165.07004	2.9
167.07101	1.5
167.08476	1.9
169.06459	2.7
170.07300	1.6
171.08069	2.7
172.08913	3.7
173.06090	1.4
173.09607	1.8
174.06874	1.5
175.07602	3.9
175.11218	1.7
179.00230	1.4
181.06462	2.9
182.07314	5.1
183.08070	2.8
184.08824	2.0
185.09595	9.5
186.06757	1.5
187.07574	5.8
187.11186	2.1
188.50989	1.2
189.09108	3.5
189.12839	1.8
191.07068	5.3
194.07204	1.4
195.08005	1.9
197.05965	1.9
197.09624	6.3
198.06767	14.1
199.07574	7.8
200.08385	2.7
201.09071	2.6
203.08701	1.7
205.08640	1.6
210.01947	1.5
210.06793	2.3
211.07729	2.8
212.08376	4.1
213.09085	19.3
215.10654	6.0
216.97389	1.6
217.08511	1.7
217.10475	1.6
217.12318	5.9
217.15932	3.8
224.08398	1.6
225.09056	11.6
228.07664	1.9
231.08139	3.2
231.10248	1.5
233.09671	1.8
235.13332	1.8
235.16902	6.6
237.09074	2.2
243.08018	2.7
243.10185	16.1
245.09624	3.0
245.11845	1.9
247.07642	1.8
249.09050	1.6
255.10025	6.8
257.09750	2.7
260.08450	2.0
261.09219	5.2
262.09830	1.9
271.07486	1.8
273.11273	52.9
275.10733	3.7
276.08008	1.7
277.08682	4.6
277.12338	2.3
278.09216	1.5
285.09039	2.1
286.09906	2.2
287.10641	2.2
288.07941	2.1
289.08752	2.9
289.12045	2.5
290.09430	2.1
291.10202	5.8
292.07590	1.8
292.10678	2.3
293.08167	3.6
293.11777	3.1
301.08847	1.5
302.09323	2.3
303.10254	3.9
305.08444	2.0
305.11719	3.5
306.08951	1.9
307.09705	8.7
308.10461	5.0
309.11066	1.8
317.11887	3.5
318.12424	1.8
319.09622	2.2
320.10376	1.8
321.10989	6.5
325.10785	1.8
329.11710	1.8
333.11462	2.4
334.12064	1.4
335.12790	5.1
336.13586	2.1
337.14429	2.1
339.12311	2.2
340.10986	1.5
347.12704	1.6
348.13544	1.8
349.11765	4.4
349.15091	2.1
351.12231	11.3
353.13956	5.8
354.14658	16.5
358.12357	1.7
361.14243	2.9
366.14594	2.0
367.15390	4.4
379.15424	10.8
397.16483	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	0.5
69.03424	1.4
70.77273	1.0
71.05003	0.6
72.08155	0.9
73.02892	0.5
81.03417	1.0
85.02914	2.8
88.28362	0.4
89.06039	6.6
97.02898	2.7
98.20951	0.5
109.02878	1.1
119.04977	2.7
127.03925	1.3
131.07326	1.3
132.08070	1.3
135.06541	2.3
144.08058	0.8
145.04980	1.8
146.06029	0.5
147.04430	17.5
153.01915	0.5
154.06549	1.2
159.06818	14.0
160.07590	4.5
170.06029	3.1
172.07593	34.5
180.08838	0.6
188.07088	74.5
189.07422	0.9
200.07085	15.0
218.08153	23.4
236.09203	100.0
237.09570	1.1
244.09964	0.4
261.09695	0.7
272.91745	0.5
274.07120	0.5
356.57782	0.4
362.69922	0.4
398.14435	13.5
398.19312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05512	1.0
56.96566	1.1
57.03429	2.7
61.02926	2.5
63.81855	0.6
65.03957	0.7
67.05495	0.6
69.03436	7.5
69.07074	5.0
70.06576	0.5
71.04993	1.1
72.08161	14.4
73.02921	11.0
73.06544	1.4
81.03411	2.1
81.07077	0.9
82.89133	0.5
85.02908	17.6
87.04462	2.5
89.06045	0.6
90.09198	7.5
91.03949	0.6
91.05498	3.8
93.07037	0.7
95.04951	0.8
95.08597	0.9
97.02895	10.3
98.21514	1.8
98.97570	1.5
99.04452	0.9
105.07000	0.9
109.02883	1.8
109.10187	0.6
111.08069	0.7
115.03938	6.8
116.07107	2.0
119.04948	14.6
121.02856	2.3
123.04462	0.7
124.07638	0.9
127.03910	4.8
133.04973	7.2
145.04962	7.4
147.04417	100.0
163.06036	3.5
175.50432	0.6
183.10185	0.8
193.93317	0.6
204.07697	0.7
223.06084	1.4
229.07487	0.7
236.12822	35.4
241.07031	0.8
247.74164	0.6
259.08188	2.4
295.10269	0.7
341.54034	0.6
398.14532	1.4
399.06934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.33645	0.8
55.05477	0.9
56.96550	1.4
57.03439	1.7
57.82840	0.8
61.02904	2.4
69.03426	6.6
69.91900	1.8
69.92309	3.5
71.04996	14.2
72.08135	3.3
73.02908	1.3
81.03401	3.8
83.01321	0.8
83.04980	1.9
85.02429	1.1
85.02908	14.2
85.06538	0.9
87.45553	0.9
89.06036	87.9
91.05483	2.8
95.04995	0.9
97.02295	1.4
97.02898	23.8
98.86562	0.8
98.97572	1.9
99.04465	4.4
103.05498	1.1
109.02867	6.5
111.04426	1.1
119.04950	5.8
121.06478	0.9
127.03106	1.0
127.03948	10.0
131.07260	1.2
132.08109	1.0
135.06537	30.9
144.08060	1.7
145.04971	12.8
147.04419	42.2
159.06789	10.9
160.07559	4.7
166.52055	0.9
167.07057	1.0
170.06029	4.5
172.07582	32.8
179.45944	0.8
188.07072	70.7
189.07434	1.2
197.07936	1.1
200.07095	14.5
215.09248	1.8
218.08145	20.0
236.09181	100.0
243.08652	2.1
261.09680	9.3
279.10651	5.0
309.09741	1.5
345.15329	1.8
367.48184	0.8
386.74579	0.8
394.60913	0.8
398.14459	15.3
416.58395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.1
57.03442	15.9
61.02926	10.6
62.61833	1.3
67.05506	2.3
69.03439	19.1
69.07072	41.1
69.99466	3.3
69.99882	4.1
71.01352	3.4
71.38786	1.3
73.02917	21.8
79.05477	2.5
81.03395	6.0
81.07027	1.8
85.02910	100.0
87.04459	4.5
91.03952	4.8
93.07025	2.4
95.08601	2.9
97.02898	32.2
97.06553	1.7
99.04446	5.3
103.03941	3.8
109.02900	7.6
111.08075	3.5
115.03934	16.5
117.21122	1.5
123.08076	3.5
127.03924	29.3
128.07317	1.5
132.06551	2.9
133.04025	2.0
133.04977	24.7
145.04968	63.6
145.06163	2.3
147.04362	1.3
150.07582	3.3
153.01810	4.0
160.05110	1.6
162.07802	1.4
163.06038	44.4
172.93539	1.3
173.05980	3.6
183.10146	4.5
195.10187	2.7
201.11191	3.3
202.35460	1.7
204.07727	5.9
213.11203	2.5
219.06490	4.9
220.88113	1.4
231.12328	3.3
236.10310	4.0
237.07390	2.2
241.07062	2.9
259.08136	4.5
266.08871	4.2
295.10220	4.5
398.14828	4.1
399.12186	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1057
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
55.01844	2.2
56.96542	3.1
57.03403	4.4
57.07013	1.8
61.02926	8.3
61.19804	1.4
69.03439	13.7
69.30376	15.3
71.04957	2.3
73.02886	5.2
81.03369	4.8
85.02909	29.7
85.30391	1.6
87.04419	2.3
91.03925	1.9
91.05441	3.3
92.05818	1.6
97.02884	13.2
98.97588	13.1
99.04407	2.2
101.00830	5.8
109.02869	4.2
110.97528	2.8
111.04341	1.6
112.99091	1.9
113.00813	2.5
116.98533	3.1
119.01877	10.3
119.04907	2.2
120.52781	1.7
121.06377	3.0
123.04339	1.7
127.03912	15.4
128.02188	1.8
131.01801	4.8
134.99538	1.7
137.05872	7.5
143.01872	8.7
145.03345	5.8
145.04880	7.7
146.99567	2.0
147.04332	5.4
148.04724	3.2
153.01768	4.1
155.01814	7.2
157.03380	4.9
158.99527	5.5
161.02869	5.2
161.05482	2.7
167.06932	2.8
170.99588	1.6
173.02863	3.5
177.00612	3.2
183.02425	1.9
183.04967	2.5
185.02875	4.8
189.00708	3.3
189.02303	2.4
195.05025	10.5
199.04361	1.8
203.03885	4.0
213.03224	5.9
213.05997	4.6
215.00368	2.1
219.01590	5.4
221.04889	4.3
222.03714	3.6
225.06070	2.0
237.02547	5.1
237.06055	3.1
245.04912	7.6
249.06143	2.2
251.04027	2.4
255.06914	3.2
261.06042	2.0
277.03445	1.8
279.03314	3.2
291.07074	2.7
294.05850	10.3
303.06552	2.2
309.07907	3.6
339.05490	4.8
339.09311	30.6
340.09341	1.9
357.06305	2.1
357.10400	12.9
399.10422	100.0
401.12097	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	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34462	0.3
57.91442	0.4
60.77987	0.3
71.04847	0.8
85.02876	1.0
86.95315	0.3
97.02871	0.6
97.88033	0.3
98.97575	0.7
116.98646	0.3
117.77139	0.3
132.40027	0.3
136.06160	0.6
153.01793	0.7
219.01907	0.4
237.03168	0.4
237.07410	0.6
244.04475	0.4
282.00699	0.3
322.48810	0.4
399.12643	100.0
400.13089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.6
58.58223	0.5
69.03421	1.1
71.53664	0.6
73.02921	0.5
81.03412	0.7
81.04578	0.5
85.02913	2.0
86.09695	0.8
97.02908	1.4
98.97607	1.0
99.04448	0.6
101.00899	0.5
110.97605	0.4
119.01933	1.1
122.07209	0.6
127.03976	1.3
128.98659	0.5
129.05516	0.5
131.01877	0.6
137.06032	2.2
143.01945	1.4
145.03494	0.5
147.04335	0.6
153.01842	0.9
155.01942	0.6
158.99802	0.6
161.02962	1.0
161.05940	0.5
173.03014	0.5
195.05080	1.3
196.02255	0.6
197.01248	0.4
213.03452	0.7
219.05074	1.6
221.05127	1.9
237.02754	0.5
237.06113	1.0
244.04254	3.6
249.06282	0.7
261.06039	0.9
261.17386	0.5
279.07367	1.0
307.06717	1.0
339.09421	2.2
348.06897	3.3
357.10330	0.6
363.09454	1.3
381.10394	3.5
399.12671	100.0
400.12683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1267
Annotation	CHEBI:67970
Peak:m/z	Relative Intensity
61.02945	0.5
69.72926	1.9
69.73337	0.8
80.94755	0.5
85.02892	1.6
94.29443	0.5
97.02922	0.6
119.01894	0.5
127.03907	0.6
139.83917	0.5
143.01918	0.9
145.04927	0.9
161.73422	0.5
174.62555	0.5
203.05318	0.7
262.06000	0.5
266.27112	0.6
279.07928	0.5
332.09210	0.5
399.12646	100.0
400.12933	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	399.3259
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
51.81796	0.7
53.03940	0.9
55.05515	4.0
57.07066	2.7
67.05505	8.1
69.03427	1.4
69.07062	8.4
71.04993	0.7
71.08624	0.7
71.38524	1.6
77.66471	0.7
78.97919	0.7
79.05485	5.3
81.07057	20.0
83.04981	1.3
83.08636	3.8
83.09063	0.7
85.02949	0.8
85.06525	1.0
91.05478	4.2
92.00546	0.7
93.07043	18.0
95.05010	0.9
95.08606	35.7
96.69203	0.8
97.06522	1.5
97.10162	1.9
101.06017	1.8
105.07035	14.0
107.08598	25.9
109.06528	3.5
109.10161	15.0
117.07005	2.0
119.08588	16.5
121.06490	2.1
121.10146	17.4
123.08063	1.6
123.11703	10.4
131.08574	3.8
133.10133	11.6
135.08054	2.4
135.11691	21.8
135.78972	0.7
137.09602	0.8
137.13240	4.4
143.08540	1.4
145.10112	6.7
147.11687	13.3
149.09645	1.8
149.13268	12.2
151.11154	1.3
157.10114	1.7
159.11710	12.5
161.13255	7.3
163.11214	2.2
163.14822	5.5
165.12730	1.2
171.11626	1.1
173.11954	0.7
173.13243	3.7
175.11234	2.0
175.14816	3.9
177.12746	14.0
177.16319	1.8
185.13313	1.4
187.14854	1.7
189.12775	1.5
189.16373	4.5
191.14284	6.8
191.17950	26.9
195.13824	3.0
199.14737	0.9
201.12738	0.9
201.16380	2.7
203.14311	1.8
203.17964	7.0
205.19493	1.6
207.13866	1.7
209.15369	5.6
213.16556	0.9
215.14250	1.4
215.17981	1.1
217.15944	1.3
217.19449	5.3
219.17229	0.9
229.19409	1.1
231.17392	0.8
231.21120	1.4
237.76216	0.9
241.19415	1.0
243.17363	1.0
245.19052	2.1
249.18628	0.9
257.18848	0.8
257.22696	1.2
259.20621	1.1
270.62369	0.7
273.10593	0.9
273.22058	1.3
342.95163	0.9
363.30533	1.2
381.31531	16.3
399.32584	100.0
400.32986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01883	0.5
56.96576	0.4
57.03445	0.7
61.02926	0.9
64.89400	0.3
69.03436	2.9
70.06591	0.4
71.04988	0.9
71.46144	0.4
71.46491	0.6
72.08156	0.4
73.02927	0.5
78.03454	3.5
80.05017	0.7
81.03423	4.0
84.42652	0.4
85.02910	4.9
85.55433	0.4
86.03220	0.4
86.09695	0.6
87.04440	0.4
90.67175	0.4
92.35266	0.3
95.89896	0.3
96.04513	0.6
97.02888	2.6
98.97603	1.2
99.04452	0.9
101.06017	0.4
101.58918	0.4
106.02922	15.7
107.04993	0.6
108.65628	0.4
109.02882	3.1
110.97572	0.5
116.98710	0.6
121.10181	0.4
124.03961	15.8
127.03891	2.0
130.06583	0.5
137.06003	0.6
139.04021	0.6
145.04948	0.6
145.06540	0.8
146.06847	1.2
153.01859	2.0
154.02209	1.0
158.99725	0.4
159.48415	0.4
161.06012	0.9
167.07068	0.6
173.06000	0.8
174.06398	1.4
175.07628	0.5
176.07140	1.3
179.03522	0.4
180.06277	2.0
182.01694	0.4
192.07549	0.5
193.08546	0.4
196.06104	0.6
201.05521	0.4
219.01894	0.4
219.06639	1.2
220.06946	1.6
220.09715	0.4
222.07690	1.7
237.07559	0.5
238.08186	0.4
238.10864	0.4
250.07108	6.7
251.07253	0.4
261.09488	0.7
268.08197	5.9
324.10828	0.6
340.68744	0.4
378.67960	0.4
400.15948	100.0
401.16406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56196	0.3
51.52629	0.3
53.03954	0.7
55.01865	0.7
55.05510	0.6
56.96565	0.6
57.03435	0.5
59.04984	0.6
59.83260	0.3
60.01776	0.4
61.02915	0.6
68.29759	0.3
69.03441	2.8
70.06591	0.8
71.04998	0.8
71.53362	0.5
72.08144	0.5
73.02916	0.6
75.71997	0.4
78.03458	1.4
79.05508	0.4
81.03429	2.3
84.04530	0.4
85.02904	3.4
86.09711	1.3
87.04472	0.6
93.55844	0.3
95.04946	0.4
97.02873	1.7
98.97581	1.5
99.04504	0.6
100.86286	0.4
101.06030	0.7
105.07073	0.7
106.02924	6.3
109.02879	1.3
110.06062	0.6
114.24916	0.4
116.98676	0.5
120.08085	0.7
121.02898	0.9
123.04422	0.4
124.03958	6.8
124.04826	0.5
127.03944	1.9
133.04991	0.4
133.06584	0.4
139.03940	0.7
145.05296	0.3
145.06520	0.8
146.06808	0.5
150.25462	0.4
153.01862	1.3
158.99745	0.5
161.05991	0.6
162.05275	0.9
167.07027	0.5
173.06007	0.7
174.06371	0.8
174.12758	0.9
176.07071	0.7
177.00685	0.5
180.03758	0.4
180.06323	3.2
181.01215	0.5
192.13853	0.5
193.08644	0.6
219.06496	0.5
220.06972	0.7
220.09755	0.8
222.07726	0.7
237.03029	0.6
238.07965	0.6
238.10860	1.0
238.14430	2.0
250.07088	2.1
261.09644	0.7
268.08209	3.3
282.09503	0.7
324.10599	0.5
360.09686	0.5
399.71661	1.4
400.15881	100.0
401.16846	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01873	0.8
55.05515	0.6
57.03425	1.9
57.07077	6.4
61.02917	2.2
67.05502	1.3
68.02655	0.5
69.03435	6.1
69.87834	1.6
69.88240	1.2
70.04082	38.8
71.05007	0.7
73.02908	1.8
79.05500	0.6
81.03421	2.1
81.07067	1.0
83.04950	0.8
84.04498	0.6
85.02912	14.0
87.04481	1.1
89.06023	0.9
91.03966	1.0
91.05486	1.0
95.08619	3.9
95.96547	0.5
97.02911	5.7
97.06519	0.5
99.04455	1.2
103.41203	0.5
105.07053	1.5
107.08608	1.7
109.02876	2.0
109.06487	0.7
113.02378	9.8
113.09656	1.5
119.08593	0.7
120.05576	1.5
123.08049	2.8
125.09660	1.1
127.03927	5.0
133.04976	1.0
138.06604	1.3
138.09140	1.1
145.03947	0.5
145.04959	3.7
147.11610	0.6
149.09616	1.6
149.87743	0.4
151.07573	0.6
163.05989	1.4
166.13417	1.5
167.07019	0.6
169.08609	3.5
191.14278	0.7
192.11343	1.7
207.13715	1.0
209.15347	1.3
238.11890	100.0
238.67043	0.5
239.12065	0.9
400.17075	8.8
401.17596	0.7
411.18689	0.5
413.19565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3787
Annotation	N-hexanoylsphinganine
Peak:m/z	Relative Intensity
55.05512	7.9
56.05048	0.6
56.96536	0.8
57.07062	2.0
57.51852	0.5
58.06585	1.7
67.05491	1.3
69.07069	6.4
69.24757	4.9
70.06595	12.5
71.08614	0.7
72.08140	0.7
74.06070	0.7
81.07037	0.9
83.04987	0.7
83.08623	3.0
83.93817	0.5
88.07639	25.0
91.05502	0.6
93.07075	0.9
95.08604	1.1
97.10156	1.0
100.07615	0.5
102.09187	10.3
104.69889	0.6
105.06994	0.6
119.08561	0.7
132.10182	1.7
134.51170	0.5
146.11731	0.8
150.11200	0.6
183.61339	0.6
268.82968	0.5
294.31631	0.6
338.34180	27.4
378.38184	0.5
382.36774	2.4
400.37866	100.0
401.38065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.84493	1.4
51.32301	1.5
53.03964	2.0
57.03408	2.0
67.05503	2.7
69.03439	5.1
71.05006	2.8
71.31030	3.5
78.04718	2.2
79.05494	17.8
80.63564	1.6
81.03431	3.4
81.07054	6.1
85.02901	5.3
86.09669	1.9
91.05489	6.8
93.07025	2.1
95.04980	4.6
95.08607	2.2
98.97623	2.0
103.05483	1.7
105.07020	4.5
107.04287	2.9
107.04956	34.8
107.08579	3.6
109.02777	2.6
109.06542	3.7
109.10156	4.7
115.05465	3.7
116.06275	3.4
117.07008	3.1
119.08565	2.5
121.06464	2.8
121.10111	2.1
122.03581	2.3
123.04448	6.7
123.08030	2.7
124.05216	6.0
128.06190	1.8
129.07013	7.8
131.04843	1.9
131.08557	9.4
133.02870	1.9
133.06450	2.4
133.10159	2.9
137.05969	2.8
137.09645	3.2
139.03891	3.6
141.07011	7.2
144.05696	9.2
145.06523	5.7
145.10139	1.7
147.04408	2.3
151.03923	4.8
151.07515	2.6
152.04678	3.9
153.05508	1.8
156.05698	12.9
157.06459	3.4
158.07214	2.0
159.08035	17.4
161.06004	4.9
163.03915	4.2
165.05611	2.1
165.06934	1.7
165.12737	3.5
167.07043	98.9
169.07674	2.8
172.05165	2.7
173.05994	6.1
174.06711	1.6
175.07635	2.5
176.04716	1.9
177.05472	2.5
180.05957	1.9
181.04965	3.8
181.06422	3.0
181.08510	1.9
183.06587	3.1
184.05281	4.2
186.06766	4.9
187.07532	13.1
189.09135	2.5
190.06255	2.5
190.07840	3.3
191.06982	3.5
191.08615	4.6
193.08553	3.3
195.06522	4.2
195.08125	2.3
201.05511	2.1
202.06310	7.9
202.07869	3.4
203.08640	2.5
203.14168	2.2
204.07738	2.8
205.08575	15.5
205.10287	2.9
207.06523	6.2
207.08229	2.9
207.10075	1.7
208.05217	22.4
208.08765	2.3
210.06779	2.2
215.08672	2.6
217.06544	2.3
217.08598	41.1
218.07239	5.4
218.09143	2.2
219.08063	15.2
219.10214	7.5
220.08809	6.2
221.06023	6.6
221.15378	4.7
223.07593	2.2
229.08630	6.1
230.07420	1.9
231.08061	8.2
231.10170	3.7
232.08960	2.3
233.09570	6.8
234.06766	2.3
234.10257	1.9
235.07538	4.7
235.11308	3.2
236.04578	9.5
236.08348	6.0
237.09102	3.4
238.06296	3.6
239.07050	3.7
239.16452	5.1
240.04195	4.7
241.08597	3.4
245.09686	1.8
246.06685	3.4
247.07474	13.8
247.09705	25.4
248.08266	12.6
249.05397	3.1
249.09172	4.0
251.10695	3.6
254.05792	9.3
255.06364	2.2
257.04346	2.3
259.07574	3.6
260.08322	3.7
261.05737	2.2
261.09192	6.2
262.06018	2.4
262.09909	4.9
263.07034	2.9
263.10739	9.9
264.07831	6.3
265.08652	9.4
266.05762	2.8
267.06506	6.7
267.09332	2.0
268.03653	2.7
269.08124	32.9
269.10922	3.1
271.09607	9.8
272.06903	6.1
275.07101	9.5
276.07803	8.5
277.08594	5.1
279.06302	2.9
279.10190	7.4
280.11078	1.9
281.08191	3.4
282.05203	5.5
282.08832	10.0
284.06561	1.9
287.09271	4.0
290.09344	4.8
291.06903	2.1
291.10101	21.8
292.07281	5.9
292.10727	2.7
293.08026	11.6
293.11066	1.8
294.08936	2.5
299.09006	9.5
300.06390	2.8
301.06967	2.1
304.07199	2.0
305.08078	3.0
307.09595	12.9
308.10437	6.5
309.07727	2.8
309.10977	2.9
310.08304	8.5
311.12711	2.7
313.10638	2.1
315.08636	83.3
316.09189	3.9
318.08893	2.7
319.09625	13.9
321.07455	5.6
321.11234	4.0
322.08456	2.6
322.12054	3.7
323.09232	2.9
323.12744	17.7
325.10767	5.1
328.09198	3.8
330.10974	100.0
331.11618	16.0
335.09158	3.3
336.10083	5.0
337.10785	11.1
339.12231	14.5
341.14117	2.1
343.11688	21.3
350.11383	3.5
351.12231	34.4
352.13162	5.3
353.10175	11.3
355.12003	2.3
356.12460	3.1
358.14029	8.7
368.12650	8.9
369.13370	12.4
371.14804	8.7
373.16434	2.8
383.14890	82.6
384.15451	2.6
400.68500	1.7
401.11301	3.2
401.16074	33.0
401.21182	5.2
401.28708	12.2
401.95221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1601
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03946	2.7
60.32745	2.0
69.03430	2.2
69.56193	4.8
69.56606	5.4
70.04079	7.3
70.06601	2.6
79.05504	11.4
80.06802	1.5
81.03408	2.0
81.07050	2.6
85.02898	6.5
91.05470	4.2
95.04974	2.5
97.02898	3.9
107.04964	26.5
115.05470	3.8
117.07051	2.1
117.96922	1.6
119.08517	1.6
123.04400	2.8
123.08051	1.7
124.05254	4.1
125.06055	2.5
128.06248	2.1
129.07024	2.9
131.08574	4.8
137.09615	2.1
139.03992	1.9
139.07462	1.7
140.68655	1.6
144.05760	2.6
144.94987	1.6
145.06497	4.0
147.04401	1.8
151.07626	2.4
152.04721	3.2
156.05775	7.7
157.06490	2.7
159.08057	10.5
161.05946	2.4
163.03854	1.8
163.11183	2.4
167.05650	3.4
167.07066	64.0
173.06038	4.2
177.05499	2.3
179.07079	2.9
186.06792	4.4
187.07545	4.9
189.07019	2.0
191.08574	3.0
202.06317	2.1
203.08626	2.7
205.08644	12.9
207.06487	3.2
207.08221	2.6
208.05214	18.1
208.08815	1.7
211.07539	2.7
217.08603	15.4
218.07231	3.9
219.08058	15.0
219.10097	3.9
220.08884	4.7
221.06030	6.7
221.09633	2.2
221.11540	2.0
222.06558	1.6
223.11157	1.8
229.08597	6.3
230.07419	2.1
231.08069	6.9
231.10185	2.0
233.06017	3.1
233.09639	4.4
235.07448	3.2
236.04762	4.5
236.08319	4.6
237.08931	3.0
239.07129	2.4
239.12537	1.9
239.16440	3.7
240.04065	2.3
240.13446	17.4
245.09639	2.8
247.07521	15.0
247.09738	8.2
248.08342	10.1
249.05544	3.3
249.09058	5.2
250.06387	2.4
251.10780	2.4
253.08582	1.8
254.05743	7.8
255.06473	2.1
259.07443	2.4
260.08417	2.2
261.09058	4.9
262.09906	3.7
263.07059	4.8
263.10669	9.1
264.07846	9.0
265.08636	4.1
267.06555	7.2
268.03647	2.5
269.08136	22.7
271.06091	2.2
271.09628	4.8
273.09161	2.0
275.07031	8.1
276.07825	7.8
277.08569	5.4
278.09262	1.7
279.10141	6.9
282.05548	3.9
282.08890	16.5
287.09122	3.7
290.09470	7.6
291.07120	2.5
291.10181	15.7
292.07266	5.2
292.10562	1.7
293.08011	9.8
293.11301	2.1
294.08972	2.6
297.07507	3.0
299.09140	4.9
300.06570	3.4
305.08154	4.8
306.08932	2.3
307.09512	12.1
308.10382	6.4
309.07584	2.4
309.11032	2.7
310.08347	7.5
311.12918	4.0
315.08664	68.2
315.12335	3.8
316.09268	2.2
318.09030	2.1
319.09665	11.1
320.10678	1.9
321.07584	4.2
321.11084	3.3
322.08310	2.9
323.09601	2.1
323.12885	14.6
323.74753	1.8
325.10837	2.7
328.09500	5.0
330.10989	86.2
331.11816	9.0
336.09680	3.5
337.10852	6.4
338.07864	2.7
339.12402	11.6
343.11795	19.5
351.12314	24.4
352.13000	2.7
353.10425	9.5
356.12564	3.6
368.12701	10.5
369.13333	3.6
371.14868	6.7
383.14935	100.0
401.15338	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	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
52.12918	1.7
53.03947	2.1
54.14221	1.4
55.05514	14.9
57.03445	1.6
59.04990	1.8
61.02952	1.7
66.44057	1.7
67.05489	2.9
69.03436	15.1
69.55898	7.7
71.04998	1.6
73.06557	2.2
79.05501	11.4
81.03405	1.5
81.07056	5.4
83.04977	24.1
85.02901	7.1
91.05486	7.1
93.07052	5.5
94.29926	1.5
95.04977	2.7
95.08621	4.5
97.02879	1.9
97.06555	2.5
98.20794	1.9
101.06022	15.7
105.07021	4.5
107.04959	18.2
107.08590	1.7
109.06532	1.9
113.35648	1.7
115.05499	4.3
116.06223	1.6
117.07056	1.7
119.08619	2.3
121.02894	3.6
121.10147	8.3
123.04441	3.6
123.08098	2.1
123.11704	2.0
124.05201	3.8
124.28492	1.5
125.05971	2.2
128.06203	2.0
129.07013	5.6
131.08574	6.0
133.06488	1.5
133.10126	2.1
135.08040	1.7
137.05952	2.2
137.09639	1.8
139.03914	2.7
139.11186	100.0
141.07024	4.5
144.05717	4.9
145.06540	3.2
147.04413	1.6
151.03973	2.5
151.07503	1.7
152.04681	2.0
156.05620	7.4
157.06477	4.1
159.08052	10.1
161.06012	3.6
167.07048	54.6
169.06462	1.9
169.07704	1.9
172.05241	1.7
173.06055	3.1
175.07576	1.7
177.05592	3.7
179.07112	3.0
180.05612	1.5
181.04945	3.0
181.06445	1.8
182.07190	2.3
182.15370	1.6
186.06709	4.3
187.07584	6.0
189.07048	1.8
190.07817	2.0
191.06914	1.7
191.08469	1.8
193.08496	1.7
195.06519	3.4
200.08353	1.9
201.09160	2.3
203.08784	1.6
205.06909	2.2
205.08572	8.1
207.06412	3.5
208.05206	15.0
208.08890	3.1
209.06015	1.8
209.07918	1.8
217.08607	15.4
217.10382	1.8
218.07245	6.5
219.08086	9.9
219.10252	4.3
220.08894	4.6
221.06000	4.0
221.15378	5.7
226.06204	2.5
229.08585	7.4
230.07367	1.7
231.08058	6.7
233.09634	4.7
235.07504	4.2
236.04710	4.0
236.08258	3.8
238.06409	2.4
239.16373	2.3
240.03957	2.0
240.20570	1.6
241.08670	1.6
245.05814	1.8
246.06812	2.6
247.07596	10.7
247.09669	13.0
248.08302	10.7
249.05592	2.1
249.08954	2.1
254.05807	5.9
258.06818	1.7
259.07660	3.6
261.09094	3.6
262.09824	3.6
263.10574	8.6
264.05219	1.6
264.07849	9.5
265.08566	5.4
266.05853	2.3
267.06586	4.8
268.03812	2.9
269.08112	17.4
271.09708	4.8
272.06940	2.4
275.07040	6.2
276.07837	8.6
277.08524	5.2
278.09335	2.7
279.10248	9.1
281.08084	1.9
282.05380	3.1
282.08884	8.9
287.09128	3.0
289.08612	2.4
290.09460	4.4
291.07178	1.7
291.10190	12.1
292.07260	4.6
293.08112	8.8
293.11002	1.6
294.08743	2.2
295.09549	2.1
299.09222	2.7
300.06384	2.4
305.07916	1.9
307.09689	11.1
308.10486	6.6
309.07730	1.8
309.11252	1.5
310.08398	4.7
311.12775	2.1
315.08603	51.0
319.09711	6.1
321.07608	2.8
321.11102	2.8
321.83987	1.6
322.12146	2.0
322.75180	1.7
323.12677	9.3
326.11331	1.8
328.09543	3.0
330.10995	56.7
331.11761	8.4
336.09921	4.4
337.10815	8.0
339.12326	8.8
343.11774	16.8
351.12271	22.8
352.13120	2.4
353.10254	8.0
356.12384	4.4
368.12637	8.9
369.13412	4.7
371.14893	5.2
373.16724	1.9
383.14911	76.7
401.16110	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3417
Annotation	(25R)-26-Hydroxycholest-4-en-3-one
Peak:m/z	Relative Intensity
53.03947	2.1
55.01861	1.9
55.05511	8.9
55.62318	1.7
57.07084	11.2
67.05508	20.9
69.07079	31.4
69.32497	5.3
69.32895	12.5
71.04644	3.0
71.04998	26.1
79.05502	8.7
81.06584	3.3
81.07063	59.1
83.08630	11.1
84.13966	2.0
89.06053	2.9
91.05486	8.2
93.07051	24.8
95.08617	100.0
97.10188	6.0
99.08069	3.4
105.07051	15.4
107.08601	39.4
108.82152	1.9
109.06528	3.5
109.10169	58.2
109.10926	2.8
111.08098	2.9
111.11733	10.8
113.09612	2.4
119.07799	2.6
119.08593	19.1
119.33984	2.1
121.10156	45.0
123.11721	34.0
124.51117	2.2
125.09676	18.9
127.11171	15.8
131.08585	4.2
133.10139	19.5
135.11716	23.8
135.50052	2.1
137.09734	2.9
137.13272	35.4
137.24121	1.9
141.12767	2.3
143.08623	2.2
145.10130	9.8
147.11720	12.2
149.13272	21.7
151.14798	6.3
153.12743	5.1
157.10132	5.7
159.11690	13.1
161.13243	10.6
163.14842	17.7
165.12755	2.3
171.11679	3.5
171.19626	2.0
173.13301	12.9
175.14870	10.6
177.12798	4.3
177.16380	9.7
179.14343	6.9
185.13261	7.6
187.14819	7.7
189.16382	6.7
191.14378	9.5
191.17957	31.2
192.17053	2.0
193.15848	5.3
199.14874	2.8
201.16409	7.2
203.17987	18.2
205.19536	15.1
215.17920	3.5
217.19511	17.3
219.17392	2.6
219.21062	3.6
223.16818	3.7
227.17999	4.4
229.19510	4.0
233.19147	4.1
241.19583	2.4
243.21042	2.3
245.19011	6.8
247.20616	5.9
259.20639	11.7
273.22046	3.9
285.25833	4.9
297.25848	3.6
311.27518	6.9
313.28934	5.1
341.31989	5.3
359.33124	13.8
365.31949	6.1
383.28076	3.8
383.33069	65.5
401.34283	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81384	2.1
56.96555	3.9
58.20724	2.2
64.12772	2.5
69.03423	5.8
70.04083	24.4
71.53803	3.6
71.81471	2.2
72.08148	10.3
80.35121	2.3
81.03430	6.8
81.07071	3.6
84.95365	1.9
85.02903	11.2
86.09732	5.7
91.05477	2.5
95.08621	4.2
97.02900	5.8
98.97572	3.6
105.07032	3.0
106.02900	4.6
109.02904	3.0
109.06541	3.2
115.05476	9.6
115.93047	2.1
118.06561	5.2
123.08083	3.9
124.03978	6.8
127.02168	4.0
127.03898	4.1
130.06531	100.0
131.04906	4.2
133.06497	12.9
136.07596	4.0
145.04913	3.1
148.07547	12.8
153.01881	3.0
158.06020	83.6
162.06601	2.1
176.07074	10.5
186.05544	7.8
191.07004	3.3
204.06590	36.0
219.06860	2.4
222.07628	77.7
225.83388	2.4
240.13478	35.7
268.08102	4.5
275.09177	8.4
337.09171	3.8
402.12564	4.4
402.18085	4.2
403.11896	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11506	0.5
53.03943	1.4
55.01885	1.2
56.96558	1.1
57.03423	1.9
57.07078	0.6
58.06607	5.8
58.22197	0.5
59.04998	0.5
61.02933	2.9
67.05496	0.9
69.03135	0.6
69.03435	5.9
70.04092	4.5
70.27647	2.1
71.04997	0.9
73.02903	1.5
73.54363	0.5
76.07649	4.4
81.03427	4.1
82.06557	0.5
83.04961	0.6
85.02912	17.9
85.06535	0.6
87.04464	1.2
91.03952	0.6
91.05476	2.9
93.07030	1.4
95.04997	3.4
97.02905	7.1
98.97573	2.6
99.04427	0.6
100.07576	0.6
101.00912	1.0
103.05444	1.4
107.04969	3.7
109.02855	2.7
115.19742	0.6
116.98633	0.7
119.01897	0.7
119.04951	8.5
120.05672	0.6
121.06514	15.4
123.04444	15.2
127.03928	3.5
130.26848	0.5
131.01897	0.7
131.08546	1.3
134.06036	5.3
135.06818	1.1
136.06152	1.1
136.07588	4.0
138.09122	1.6
141.09044	0.9
143.01923	3.7
145.04956	2.4
147.04417	6.7
147.06793	0.7
155.01926	1.3
157.03372	0.5
158.99590	0.6
159.08084	1.4
161.03020	2.9
161.04114	0.6
162.03015	0.7
165.05499	10.3
167.07008	0.8
173.02948	0.8
173.06534	0.9
173.92337	0.5
176.10718	23.3
185.02925	1.4
185.06540	0.6
186.03191	0.6
187.02820	0.7
194.11783	43.0
203.03990	1.1
215.07639	0.6
219.01869	0.7
219.07890	3.5
219.57971	0.7
221.05089	0.7
222.11273	6.4
231.08832	0.7
237.02705	0.9
240.12296	100.0
241.12598	0.9
245.05162	1.4
246.05234	1.9
247.04723	0.7
250.48347	0.5
259.02386	0.8
264.12320	0.6
270.11212	0.7
272.38315	0.6
275.09732	1.3
277.03580	0.7
293.10880	3.9
335.11896	2.7
366.15396	1.3
402.13327	0.9
402.17667	7.6
404.13168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01875	0.9
55.05508	0.7
57.03445	0.8
61.02935	0.9
67.05505	1.3
69.03442	2.6
70.04081	68.2
70.98125	0.7
71.04988	0.9
73.02888	0.6
74.28973	0.4
79.05509	0.6
81.03419	1.1
81.07057	1.7
83.08624	0.4
85.02915	5.9
87.04482	0.4
91.05489	1.0
91.10241	0.3
93.07056	1.9
95.08614	6.8
95.09179	0.7
97.02900	1.3
99.04461	0.6
99.08096	1.6
101.02415	0.5
105.07040	0.6
107.08596	2.8
109.02866	0.7
109.06529	4.0
109.10190	0.5
111.08096	2.1
111.57922	0.3
121.13846	0.4
123.08076	7.9
125.09621	2.3
127.03912	0.5
129.76051	0.4
135.08084	1.3
141.09111	11.4
153.09119	2.9
172.17085	0.4
176.11850	0.4
201.75842	0.4
210.12402	3.7
222.12439	1.5
227.80998	0.4
228.53270	0.4
240.13437	100.0
241.13716	0.9
383.37210	0.4
402.18292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01868	1.1
55.05517	0.9
56.96542	0.5
57.03438	0.6
63.79024	0.5
67.05508	1.0
69.03430	2.1
69.07082	0.7
69.21098	4.0
69.21502	0.9
70.04071	1.6
70.06609	0.7
72.05241	0.5
72.08164	1.0
79.05495	1.4
81.07052	0.7
82.24348	0.5
83.04966	1.5
85.02914	3.7
86.09709	1.6
91.05489	3.0
93.07047	8.4
95.04977	1.8
95.08601	0.8
97.02876	1.4
97.06544	0.8
98.21535	1.1
98.97573	1.2
99.04459	0.6
103.05473	0.6
105.07037	1.2
107.08587	0.9
109.02917	0.7
109.06529	0.9
116.98633	0.5
118.65889	0.5
119.04953	0.6
121.06510	15.3
121.07385	0.8
123.04414	2.4
123.08033	1.3
127.03905	1.2
127.07613	1.0
129.01848	0.7
133.10072	0.6
133.56367	0.5
137.05963	0.6
137.09599	0.6
139.07536	0.9
141.09044	0.6
145.04941	0.6
145.10126	0.9
147.04369	1.4
149.09618	1.3
153.01859	0.7
153.09177	0.8
155.10689	0.6
159.11696	1.3
161.09669	0.6
167.07021	2.0
177.12787	0.9
179.07059	1.5
187.11140	0.6
195.13905	0.6
205.12248	7.7
219.01775	0.9
223.13300	4.8
240.13443	0.8
241.09900	0.6
241.13974	2.1
269.09952	0.8
287.10898	1.1
317.08414	1.8
328.08908	0.5
385.13559	0.6
389.98212	0.5
403.15720	100.0
404.16241	1.3
421.14709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
56.96556	0.5
57.03445	0.5
59.46045	0.3
67.11533	0.4
69.03416	0.9
69.07058	0.4
70.52406	0.3
71.53866	0.4
72.08160	0.8
79.05487	0.7
81.03424	0.7
81.07069	0.4
85.02911	2.1
86.03233	0.3
86.09689	1.1
91.03989	0.4
93.07080	0.5
95.04974	0.6
95.08616	0.4
97.02864	0.8
98.97583	1.0
99.04467	0.5
101.38971	0.4
105.07038	0.5
106.02913	0.7
107.04932	0.4
107.08604	0.4
109.02906	0.6
110.97590	0.4
121.10077	0.3
123.04443	1.6
124.03963	1.5
125.04285	0.9
127.03896	0.8
129.01828	0.4
145.04929	0.5
147.04437	1.0
155.03369	0.5
165.01840	2.6
165.05484	0.5
167.07042	1.2
179.07030	0.6
183.02872	0.7
191.03380	1.2
221.68341	0.4
223.13472	0.6
233.04382	1.0
234.00459	0.4
237.02921	0.4
238.02019	0.3
241.14412	0.6
250.07204	0.4
251.05481	0.6
268.08084	0.4
271.11487	1.3
276.85544	0.3
333.07922	3.6
335.09369	2.7
343.08215	0.6
344.17563	0.4
385.13083	0.5
403.15710	100.0
404.15988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03950	3.9
55.01867	5.3
55.05505	3.2
57.03432	9.7
57.07072	3.1
59.04992	5.1
61.02933	9.8
67.05505	10.1
69.03088	2.3
69.03436	38.3
71.04994	6.4
71.05515	3.2
73.02914	4.4
75.04469	1.9
77.45297	1.6
79.05486	3.3
80.63724	1.8
81.03423	12.9
81.07058	14.6
83.04984	8.3
83.08607	7.5
85.02907	100.0
85.06526	5.6
87.04464	9.5
91.03909	2.4
91.05494	3.1
93.07047	9.3
95.04976	13.3
95.08632	9.0
97.02888	24.4
97.06537	8.9
99.04449	7.4
101.06006	2.0
105.07018	6.9
107.04977	2.4
107.08603	10.6
109.02896	12.7
109.06532	12.8
109.10155	15.5
111.04455	1.9
111.08070	7.7
112.65188	1.7
113.02359	9.8
113.05994	4.9
113.09599	2.6
117.06930	1.9
119.08567	5.3
121.06486	4.2
121.10126	7.3
123.04439	33.9
123.08076	16.4
123.11692	3.6
125.05973	2.7
125.09613	5.6
127.03928	20.2
127.07569	23.4
131.07063	3.6
133.10112	6.2
135.08038	2.1
135.11638	2.2
137.05957	4.8
137.09615	37.3
137.10600	3.7
139.03897	2.6
139.07549	6.3
139.11185	13.7
141.05469	40.8
145.04942	17.4
147.04414	3.0
149.09631	6.0
151.11162	12.3
153.05492	1.8
153.09059	2.0
155.10666	3.0
156.65848	1.9
157.04893	2.7
157.08589	2.3
159.11691	4.0
160.62556	1.8
161.05965	3.1
161.09560	4.7
163.11160	7.5
165.09132	10.9
167.07056	7.8
167.10681	9.3
169.12257	1.7
177.12766	4.9
179.10674	26.7
181.12190	3.3
185.08148	2.0
193.08636	3.5
197.11737	59.3
205.12236	17.9
207.10277	2.3
208.39752	2.3
223.13301	37.8
241.14366	85.6
278.09995	1.9
283.06155	2.5
286.21582	1.7
309.07596	2.2
367.07932	2.9
403.15408	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	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34786	1.0
55.01871	2.5
57.03442	7.5
67.99345	1.0
69.03436	2.1
71.05003	16.8
71.53040	1.2
75.04480	2.9
76.45333	1.1
79.05492	2.9
83.04968	2.9
85.02917	18.4
86.09702	2.5
87.32104	1.0
91.05492	2.1
95.04967	2.1
95.08620	1.6
103.05441	1.8
105.07045	23.9
107.04961	2.1
109.02844	1.8
109.06537	2.2
109.10151	2.2
111.04487	2.1
117.07050	1.0
119.08590	1.2
122.03692	1.6
123.04447	2.2
123.08070	2.8
127.03944	1.2
129.05499	2.0
133.06508	56.3
135.08066	1.8
137.05992	100.0
139.03905	2.5
149.09697	1.2
151.07571	5.0
161.09669	1.3
163.07587	4.8
165.09134	33.4
167.21634	1.0
175.07562	4.2
177.09055	1.8
179.10716	1.2
181.08640	1.9
183.10185	24.7
189.09193	1.4
193.08716	1.2
201.28011	1.1
203.10770	1.4
205.12300	1.5
207.10143	1.1
221.11821	3.4
223.13245	2.1
239.12770	3.8
241.14401	2.8
257.11163	2.2
257.13873	43.0
403.18799	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	403.1963
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01854	1.5
55.05508	0.8
57.03442	7.0
64.45986	0.6
69.62881	1.2
69.63281	2.3
71.05000	14.3
73.02922	0.9
75.04499	3.8
79.05501	1.5
83.04983	1.3
85.02908	16.3
91.05470	0.8
94.04163	0.9
95.04977	1.4
98.20720	0.8
103.05486	1.4
105.07040	22.5
107.04942	1.4
111.04464	1.5
115.05437	0.9
117.07050	0.8
122.03680	0.9
129.05502	3.4
133.06503	54.8
135.04434	0.7
135.08105	0.7
137.05989	100.0
138.06371	1.0
147.06567	0.7
147.08078	1.0
149.05969	0.6
151.07556	3.2
163.07538	3.4
165.09128	35.3
175.07558	2.9
177.09131	2.3
179.07193	0.8
181.08644	2.2
183.10188	28.7
189.09146	1.0
203.10721	2.2
209.11775	1.7
221.11777	4.2
225.11317	0.8
239.10786	0.6
239.12856	4.0
257.13867	38.7
295.08575	0.6
349.16522	0.9
394.51917	0.6
427.92081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01860	1.0
67.05483	1.3
69.03419	2.7
70.33245	0.7
70.33604	2.0
71.04966	0.6
72.08157	0.6
73.02910	0.5
74.21750	0.5
74.86366	0.5
78.96786	0.6
81.03405	1.2
81.07043	1.1
83.04987	2.7
85.02925	3.3
85.06530	1.5
91.05460	3.1
93.07046	14.9
93.07629	0.7
95.04951	2.1
97.02881	1.3
97.06516	0.9
98.97562	1.5
99.04478	0.7
103.05477	0.8
105.07030	1.8
105.85944	0.5
107.08577	1.8
109.02888	0.7
109.06509	1.2
113.02320	0.6
119.08566	1.4
121.06508	24.6
121.10145	0.9
122.06009	0.7
123.04413	4.1
123.08053	1.0
127.03922	0.9
127.07534	2.4
129.01839	0.5
129.06960	0.8
135.11682	0.6
139.07536	1.0
145.04985	1.0
145.10117	0.9
147.04355	0.8
149.09610	1.2
153.09079	0.8
155.10638	0.7
159.11684	3.2
161.05814	0.7
167.07063	1.1
177.12758	0.9
179.07019	0.9
179.10716	0.7
184.00400	0.6
187.11211	1.5
205.12247	14.4
223.13254	6.7
241.14095	0.7
244.12900	0.5
269.09863	1.0
287.11102	1.7
317.08524	1.6
341.15613	0.6
385.12881	0.8
403.15710	100.0
404.16055	1.6
421.14874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01884	1.6
55.05495	1.2
56.96589	1.4
69.03436	10.6
69.78746	4.9
71.05015	2.3
72.08165	1.3
73.02936	1.9
74.54539	0.9
78.03464	11.3
80.05029	1.9
81.02998	1.2
81.03432	17.3
81.07088	1.1
83.04961	1.6
85.02913	10.1
89.34382	1.0
96.04508	2.6
97.02910	6.7
98.06083	1.8
98.97566	2.1
99.04473	3.4
101.06026	3.7
106.02933	45.6
109.02901	12.0
112.05222	1.1
123.04471	1.7
124.03968	100.0
127.03927	8.0
128.75346	1.1
140.06998	1.0
145.04968	1.2
153.01857	1.5
163.91396	1.2
166.04985	1.7
167.07080	4.3
191.07397	1.1
211.09644	1.2
223.99841	1.2
232.06079	4.0
242.10356	1.5
250.07140	15.4
268.08179	58.2
269.08603	1.3
286.09253	3.4
303.01550	1.3
404.15820	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96295	0.9
56.96566	15.3
70.12169	1.2
70.12544	2.2
71.95255	3.5
79.05483	0.8
81.07078	1.0
87.03687	0.7
91.05495	0.9
93.07038	0.6
94.04192	1.0
98.97587	100.0
107.08559	0.8
116.98626	54.5
122.03680	5.2
134.99661	16.7
137.05984	48.6
140.00192	7.7
148.50359	0.6
153.00682	1.3
158.01205	3.4
160.99232	1.2
172.53743	0.6
179.00174	2.4
193.01831	1.0
197.01236	2.0
198.02036	0.8
199.02792	0.6
208.10150	0.8
211.02867	0.9
211.87355	0.6
220.00491	3.2
223.02838	0.8
224.09590	1.6
226.08981	0.9
226.11163	18.9
235.02785	70.1
236.03242	0.8
238.01566	2.5
242.10683	1.2
244.12228	7.7
249.12842	1.9
253.03853	81.7
254.04173	0.7
267.13788	1.2
268.12204	2.7
271.04907	2.6
276.05441	17.5
280.12204	2.4
286.13214	0.6
309.14911	0.7
329.13052	2.1
344.15311	6.9
362.16522	1.2
404.17453	91.2
405.17929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37894	1.5
53.03933	2.7
55.01867	2.5
55.05506	3.4
56.96544	1.7
63.94688	1.8
67.05496	2.9
69.03432	7.9
69.26843	13.3
71.05003	8.1
73.02940	2.2
76.41503	1.5
76.53989	1.5
79.05513	8.8
80.20350	1.7
81.07060	24.0
85.02901	11.0
85.06545	2.4
91.05489	12.1
93.07037	25.8
94.68892	1.7
95.05002	2.7
95.08617	8.2
97.02901	10.9
97.06601	2.2
99.04459	31.7
105.07036	43.7
107.04957	2.0
107.08604	16.3
109.06523	6.0
109.10159	6.1
111.08076	13.5
119.04962	1.9
119.08593	8.6
121.06522	4.6
123.08031	5.1
125.05980	2.4
133.06508	6.8
133.10133	61.5
135.11690	8.0
137.06006	8.3
137.09584	2.4
139.03891	2.1
143.08542	9.2
145.10109	3.0
146.07304	3.3
147.08032	2.9
150.40401	1.9
151.07527	3.4
151.11201	4.9
161.09631	70.6
163.11169	18.9
167.06978	2.1
171.08124	2.8
179.10674	38.9
180.08632	3.0
189.09137	29.5
190.30923	1.9
193.15887	3.9
207.10164	24.7
207.13818	3.4
211.16962	4.6
225.11229	100.0
226.11365	2.2
242.13872	2.5
252.39119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71693	0.9
51.63203	1.0
53.03943	1.9
55.01868	1.1
55.05504	2.1
59.69902	0.9
67.05501	1.0
69.03429	5.8
69.07061	1.5
69.30325	7.1
69.30728	1.8
71.04987	5.6
73.75680	1.0
79.05495	4.6
81.03405	2.1
81.07047	4.2
83.84924	0.9
85.02901	9.3
85.06539	1.6
91.05483	8.8
93.07047	17.3
95.04939	2.1
95.08623	3.3
97.02882	2.3
98.97569	1.7
99.04468	5.9
100.11266	1.5
105.07036	48.2
107.04944	2.0
107.08607	9.5
109.06532	1.2
109.10136	1.5
117.07057	1.2
119.04941	3.1
119.08585	2.9
121.06494	2.2
121.10121	1.6
123.08045	5.3
123.11758	1.7
124.81682	1.0
126.91119	0.9
127.03961	1.8
128.06259	1.4
131.08572	1.9
133.06508	3.8
133.10139	40.5
135.11723	2.6
137.05994	3.9
139.03949	2.5
143.08568	3.5
145.05019	1.1
145.10164	7.0
146.07251	1.2
147.04413	2.5
149.05969	1.2
149.09576	1.1
151.07512	5.4
151.11198	3.3
151.64516	1.0
153.05545	1.0
161.09627	26.1
163.11183	100.0
164.09128	1.8
167.07040	8.2
168.07370	2.4
179.10677	56.8
181.04929	1.3
189.09087	14.0
193.08575	1.2
202.98671	1.1
207.10187	15.8
210.14960	1.5
219.10143	1.7
225.11278	8.0
253.10724	1.0
404.13998	2.0
404.22858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.3
57.30646	1.3
59.05002	3.5
63.95879	1.4
65.03914	1.6
67.05520	1.6
69.03419	3.1
69.07049	2.0
70.06606	2.9
70.92745	1.4
71.04996	1.6
79.05521	2.7
81.07069	3.5
83.04983	2.3
85.02912	14.3
91.05489	7.1
93.07052	4.5
95.04994	3.0
95.08026	1.5
95.08618	4.0
98.97575	1.9
105.07031	16.4
107.08587	12.5
109.02866	1.9
109.06488	4.2
110.06085	1.8
112.07581	4.5
112.08891	1.6
114.53796	1.4
117.07027	2.2
119.08593	21.1
121.10137	12.0
123.08099	3.9
123.11719	11.4
124.07638	3.9
125.09585	2.6
127.03922	3.0
129.07056	2.5
131.08572	9.4
133.06476	3.0
133.10133	3.6
135.08069	17.4
135.11679	4.6
137.09679	1.7
143.08571	10.4
145.04855	1.7
145.10149	5.7
147.08047	13.4
147.11691	18.3
149.09631	9.1
152.07120	1.8
156.09329	14.7
161.09679	2.1
161.13316	6.2
167.07101	2.3
171.11713	29.2
182.60675	1.9
189.12743	27.3
207.06528	4.6
207.13814	100.0
212.09164	1.7
225.14841	3.0
242.14043	3.7
263.06537	1.6
280.21057	1.6
405.17346	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31947	2.7
51.71854	3.0
52.10921	2.7
55.05507	5.6
59.97730	2.4
67.05511	3.1
68.98365	3.0
69.18793	7.9
69.19215	18.2
71.05002	3.2
75.29781	2.8
79.05502	4.7
85.02911	4.0
85.06564	4.8
91.05474	7.4
93.07049	3.9
95.08597	5.2
97.48461	2.5
98.59010	2.5
99.69941	2.5
105.07024	40.0
107.08601	8.0
109.06513	9.0
109.96863	2.5
117.07050	3.4
119.08579	45.0
120.03584	2.5
121.10144	10.4
123.08090	7.3
123.11714	4.5
123.85870	2.6
131.08554	5.7
133.06525	4.2
137.09605	8.4
145.10089	12.0
147.11700	63.4
149.09645	13.2
151.07521	3.7
163.11232	3.8
165.12759	6.5
167.07030	5.9
189.12727	52.8
207.13806	100.0
270.18765	3.0
279.03131	2.7
320.89029	2.8
403.95853	3.2
409.71033	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
56.96535	0.8
59.04992	3.0
64.34030	0.9
67.05493	2.2
69.03416	3.2
69.07073	2.7
69.52884	6.5
70.06583	2.6
71.04995	2.5
79.05474	3.4
81.03413	1.6
81.07043	4.5
83.04958	1.4
83.08617	1.3
85.02907	17.2
91.05479	8.6
93.07039	4.8
95.04972	2.8
95.08599	3.6
97.06557	1.2
97.10111	1.2
98.97574	3.5
105.07032	16.6
107.08600	11.4
109.02853	1.8
109.06509	5.0
109.10175	1.4
110.06013	1.3
112.07590	1.8
117.07003	2.4
119.04913	2.9
119.08579	19.5
121.02845	2.4
121.06469	1.6
121.10149	11.0
123.04398	2.1
123.08087	5.3
123.11711	9.4
124.07575	2.2
125.09592	2.7
127.03907	2.0
129.06992	2.3
131.08575	8.4
133.06476	1.2
133.10127	4.7
135.08058	17.3
135.11673	4.0
137.06090	1.0
138.09087	1.3
139.11163	1.2
141.06960	1.2
141.09102	1.7
143.08559	7.9
145.10130	6.0
146.10768	1.3
147.04396	2.3
147.08034	11.6
147.11694	17.4
149.09584	9.9
151.07564	1.8
156.09299	13.9
159.11694	1.6
161.09636	2.3
161.13232	4.6
163.11221	2.6
165.09065	1.7
165.12738	2.7
167.07002	1.2
171.11693	26.9
173.05260	1.0
175.03880	3.8
177.05563	2.4
177.12683	1.1
179.14357	1.1
182.08289	1.5
184.09778	1.1
189.12752	29.9
200.64792	1.2
207.06534	9.5
207.13808	100.0
208.14091	1.2
219.01723	1.3
225.07556	3.3
225.14851	3.1
238.50580	1.0
242.13963	2.5
279.09964	1.1
307.10687	3.0
397.42783	1.0
405.17209	4.5
421.13770	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.10882	0.2
57.03444	0.3
61.02932	0.3
67.05498	0.9
67.38932	0.2
69.03410	1.0
69.07041	0.2
69.56564	1.6
71.04994	0.6
79.05489	0.5
81.03424	0.4
81.07052	0.5
83.04992	1.7
83.08627	0.3
85.02911	3.0
91.03969	0.3
93.07027	0.9
95.04967	1.0
95.08614	2.7
97.02888	1.1
97.06550	1.3
99.08087	0.6
105.07043	0.8
107.08609	0.8
109.02848	0.3
109.06514	2.3
111.04460	0.8
111.08088	0.4
119.08602	1.1
121.06536	0.5
121.10135	3.2
123.08070	100.0
124.08402	1.0
125.06037	0.4
125.09623	0.3
127.03891	0.7
135.11696	0.7
137.09642	0.5
145.10136	0.7
147.11743	0.4
149.09633	1.7
151.07530	0.3
151.11182	0.9
161.13283	0.5
163.11197	1.4
165.12735	0.4
167.10696	1.0
181.12241	9.9
189.12752	0.4
207.13844	2.4
225.14856	14.7
305.37585	0.2
350.52689	0.3
367.35733	0.3
371.89240	0.3
425.97894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
56.05042	16.9
57.03427	1.3
57.44688	1.5
65.69597	1.2
67.05496	1.4
69.03429	3.5
69.53579	4.3
69.54001	5.4
70.06570	2.2
71.04983	1.3
71.77021	1.2
81.07068	3.3
85.02908	11.1
91.05487	1.9
93.07044	4.3
93.67555	1.3
95.04992	2.1
95.08617	5.7
97.02883	2.9
103.05450	2.1
105.07049	6.9
107.08570	1.8
109.02912	2.8
110.06059	2.3
110.09703	1.8
112.07609	2.9
118.75312	1.2
119.04960	1.8
119.08575	9.4
120.07244	1.3
121.06536	1.3
121.10156	2.2
123.04417	10.3
123.08105	1.8
123.11672	4.7
124.07596	2.9
125.05991	1.7
125.09624	2.8
126.05367	1.5
131.08557	3.0
133.06479	5.1
133.10141	2.1
135.04489	2.0
137.05983	1.5
137.12231	1.7
138.09149	23.0
140.06906	1.4
143.08540	1.7
145.04936	2.2
145.10130	13.2
147.04427	4.2
147.07991	2.5
147.11711	16.7
149.05966	3.1
149.09621	4.2
152.07086	5.0
156.09415	2.4
159.08034	2.7
161.05966	2.2
165.05461	13.6
166.08646	53.3
167.07025	2.4
171.11694	4.7
174.05573	1.8
174.10339	2.4
177.05478	35.7
184.09740	6.7
189.12743	100.0
207.13788	9.7
220.09692	21.2
224.13708	2.2
224.16451	2.0
242.14383	2.1
242.17494	2.7
243.16071	1.7
292.11804	1.4
310.12863	3.0
317.10168	2.1
329.10211	12.3
372.14444	18.9
404.08295	1.7
405.17300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94283	1.3
55.05508	2.6
57.03434	2.1
67.05511	2.5
70.67908	3.0
70.68247	1.8
81.07059	7.0
83.04984	6.0
85.02906	17.5
91.05486	3.1
93.07038	3.9
95.04981	2.6
95.08604	3.3
97.06541	3.4
105.07020	5.3
107.08568	6.6
109.06535	12.3
109.10146	2.7
111.08084	4.2
119.08565	6.4
121.10143	12.3
123.08057	6.0
123.11709	19.6
128.00526	1.7
131.08583	2.1
137.09625	29.9
145.10062	2.1
147.11700	15.3
149.09627	7.0
151.11157	1.4
156.09363	2.2
161.09583	2.2
161.13252	7.3
163.11205	2.5
165.12758	100.0
171.11691	1.6
174.10370	3.0
179.14249	7.5
189.12740	15.9
207.13812	43.8
218.14259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01863	2.1
55.05524	1.1
56.96566	1.1
57.03444	6.6
59.04994	0.7
61.02935	4.5
65.03925	0.6
68.99795	1.6
69.03088	1.0
69.03438	15.9
70.06578	0.6
71.01369	0.8
71.04986	2.6
71.53211	0.6
72.08194	0.6
73.02908	2.0
75.04470	1.5
81.03426	9.8
83.01350	0.7
83.04983	1.6
84.04494	0.6
85.02916	49.9
86.03154	0.6
87.04459	2.4
91.03954	2.4
91.05474	0.9
93.07054	1.9
94.57704	0.5
95.04951	0.9
95.08640	0.8
97.02288	0.9
97.02908	14.6
98.97591	2.2
99.04479	4.8
100.37330	0.6
103.03966	1.0
103.36903	0.5
105.07071	0.8
107.08597	0.9
109.02892	16.3
111.00793	3.5
111.04439	1.9
115.03959	0.9
117.05514	1.9
120.04530	0.6
121.06512	1.2
121.10167	0.5
123.04417	1.2
125.02351	0.8
126.03158	8.9
127.03928	24.6
129.05501	1.4
131.04955	0.6
133.05017	0.9
134.90723	0.5
137.05968	0.9
139.03992	0.9
139.72295	0.6
141.05481	36.1
142.27972	0.5
143.03444	0.9
145.04970	17.8
147.04462	0.7
151.03967	1.2
153.01828	8.8
153.02995	0.8
154.02560	1.0
154.53889	0.6
155.03429	0.8
161.05998	1.1
163.06081	3.3
163.07251	0.6
165.05573	0.6
167.07059	1.4
169.04984	100.0
171.02925	1.2
179.07060	0.7
189.12843	0.7
193.08661	0.9
201.07565	1.3
207.13841	1.0
211.06029	2.1
219.08560	0.7
221.07951	0.7
225.14806	1.2
237.02866	0.7
243.08658	1.7
244.05829	1.0
249.07614	1.8
298.13638	0.6
315.07007	1.0
405.17453	18.4
405.21280	1.6
406.11172	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2121
Annotation	Ascleposide A
Peak:m/z	Relative Intensity
53.03948	2.7
55.01874	3.4
55.05513	8.5
57.03437	5.8
60.64405	2.8
61.02927	3.1
67.05495	8.4
69.03413	7.9
69.07060	9.8
70.63897	8.3
71.04991	11.1
79.05488	8.1
81.03427	20.6
81.07065	14.3
83.04981	8.6
83.08638	2.6
84.04519	5.8
85.02914	15.4
85.06542	5.7
90.04210	2.7
91.05481	6.1
93.07054	15.0
95.04932	3.4
95.08612	30.7
97.02900	5.6
97.06508	4.8
98.09717	3.5
98.97558	5.8
99.04485	5.0
99.08078	12.2
105.07049	18.1
107.05012	2.8
107.08608	20.1
109.06518	7.5
109.10181	5.3
119.08592	15.1
121.10150	15.8
123.04456	5.0
123.08070	23.9
123.11751	4.0
125.02306	3.6
125.06038	6.2
125.09654	4.7
127.03896	9.7
128.02376	4.0
131.08595	3.4
133.10129	10.2
135.08089	25.8
135.11670	5.5
137.09599	21.0
141.09102	18.6
145.04895	3.8
145.10098	4.3
147.04510	4.4
147.08002	4.2
147.11732	14.4
149.09636	24.7
151.07576	8.7
151.11201	3.5
153.01788	6.2
161.09630	2.9
161.13255	18.3
162.02164	4.9
163.11154	12.4
165.09161	10.7
165.12791	5.7
167.07063	7.7
168.07396	3.3
171.11740	6.4
177.12755	15.6
179.14294	5.4
189.12740	30.8
195.13766	15.1
207.13806	79.2
225.14865	100.0
243.15979	4.3
244.05800	11.4
259.11172	20.0
341.15955	4.1
373.13251	4.2
405.15375	36.6
406.11206	25.3
412.53110	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	405.3516
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
55.05502	7.3
56.96563	6.5
57.07092	2.1
67.05510	13.2
69.07069	14.6
70.22935	6.7
71.08630	2.0
79.05499	8.1
81.07047	26.5
82.98798	1.9
83.08617	6.1
85.02954	2.6
91.05486	7.0
93.07051	20.6
95.08605	31.8
97.02896	2.6
97.10215	3.7
104.75787	2.1
105.07034	16.6
107.08595	21.4
109.10168	13.9
110.68876	2.4
111.08086	2.3
111.11742	4.6
117.07034	3.9
119.08558	16.1
121.10137	15.5
123.11720	15.2
131.08572	6.0
133.10144	22.8
135.11694	10.6
137.13216	5.4
142.07753	2.9
142.94572	2.4
143.08575	6.0
145.10112	14.3
147.11720	11.5
149.13260	10.8
157.10176	9.2
159.11697	15.5
161.13315	5.9
163.14832	10.7
169.10173	5.6
171.11716	11.3
173.13293	12.4
175.14867	8.3
177.16492	6.3
183.11708	8.1
185.13258	11.0
187.14867	9.1
189.16493	4.9
197.13303	6.6
199.14915	5.9
200.15736	2.1
201.16425	6.5
203.17990	5.5
211.14819	6.8
213.16339	5.2
215.17981	5.7
225.16461	3.3
227.17938	3.3
229.19518	5.4
239.17986	2.8
241.19547	2.7
243.21046	12.4
252.18575	2.2
253.19542	2.9
255.21136	5.5
257.22714	3.1
258.95917	2.2
267.21030	28.5
269.10645	3.0
269.22705	13.4
281.10693	2.2
281.22784	5.9
295.24277	8.3
301.13281	2.6
309.25870	14.2
309.28995	2.9
321.25943	7.6
335.27103	2.5
355.11981	2.5
369.31924	2.5
377.32034	2.7
405.26389	4.7
405.35300	100.0
406.35837	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	405.3726
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05513	6.0
57.03423	0.8
57.07077	9.1
61.95853	0.5
64.26574	0.5
67.05492	1.1
69.03415	0.6
69.07063	9.5
71.08637	5.7
71.18942	0.7
79.05484	0.9
81.07055	2.7
81.79934	0.5
83.01341	8.1
83.04970	1.0
83.08614	5.9
85.06566	0.5
85.10188	2.5
91.05468	0.7
93.07044	2.5
95.08606	3.1
97.06538	2.9
97.10174	4.6
105.07026	1.2
107.08593	3.4
109.06515	1.5
109.10152	2.0
111.08061	3.1
111.11706	1.9
119.08580	0.6
121.06510	1.2
121.10147	2.5
123.08091	2.7
123.11729	0.8
125.05998	4.4
125.09638	3.9
126.06786	0.7
127.07558	2.5
133.10153	1.1
135.08070	0.9
135.11678	1.2
137.09631	1.7
139.07541	19.3
139.11163	2.5
147.11664	0.7
149.13300	0.9
151.11192	4.2
153.09106	4.8
153.12730	1.7
154.78447	0.5
158.46851	0.5
159.11690	0.7
163.11136	0.9
165.12762	0.7
167.10684	7.0
167.14320	0.9
173.13275	0.6
177.12695	0.9
181.12219	9.8
191.14320	0.9
195.13817	7.8
209.15363	5.5
223.16917	3.7
237.18404	1.4
251.20128	1.6
261.22214	0.5
265.21664	1.8
279.23221	2.0
293.24799	1.4
307.26422	0.8
321.27783	0.5
335.29434	1.4
349.30927	1.2
387.36194	1.0
405.37262	100.0
406.37576	2.1
415.58533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24225	2.2
53.03943	7.8
53.11443	1.8
55.01878	8.8
56.96577	3.9
57.03442	6.1
59.80055	2.1
61.02936	6.9
68.26157	2.0
68.99814	3.8
69.03437	31.4
70.01310	10.9
71.04993	4.2
73.02927	8.8
81.03430	33.9
85.02917	100.0
87.00842	33.7
91.03972	2.4
97.02908	43.1
98.20796	2.4
98.97607	2.7
99.04452	16.9
103.03954	6.9
105.01876	34.8
107.04966	4.8
108.04488	5.3
108.25453	2.2
109.02897	92.0
110.03269	2.5
111.04473	2.6
116.98668	2.4
121.02869	11.3
123.04464	2.5
125.02337	2.5
126.05580	4.2
127.03943	72.6
129.01884	5.7
133.02827	5.2
137.06026	5.8
139.03937	2.9
141.05476	42.8
145.04984	39.4
147.02930	7.1
147.04446	2.3
153.01857	5.5
156.25139	2.6
159.02934	20.5
161.05998	2.9
165.05487	19.7
167.07080	3.4
177.05486	3.7
181.08737	3.5
183.06596	2.6
189.03963	15.3
207.06604	23.2
208.09671	3.0
213.03902	2.7
231.04674	11.4
231.06757	7.3
244.05913	6.9
249.07690	20.6
343.35040	2.4
406.10422	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	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01862	2.2
55.05506	1.2
56.04829	0.5
56.05044	5.5
57.03445	4.9
58.99335	0.7
58.99594	8.2
61.01140	0.9
65.64588	0.7
68.05029	1.1
69.07072	1.3
69.50849	4.1
73.01137	2.0
74.00668	0.9
75.29446	0.6
76.02238	19.5
76.03995	1.4
79.05514	3.4
79.72057	0.6
81.07064	14.6
83.06100	1.4
83.24746	0.6
84.04515	22.9
84.08141	0.9
85.01125	2.6
85.02917	0.9
85.31779	0.6
86.00660	3.1
86.99065	5.2
87.02707	5.1
88.02213	1.4
89.00302	0.7
93.07029	0.8
95.08614	3.2
97.06549	1.6
98.09115	0.8
98.09704	9.4
98.20750	0.8
99.05581	0.8
99.08095	3.9
102.03863	0.6
102.05548	3.8
105.07033	1.1
110.09682	2.2
111.08040	0.8
111.26700	0.5
112.03977	3.4
113.04246	5.0
114.03785	0.6
115.05804	1.2
115.22358	0.6
116.01693	18.2
116.02505	1.3
116.27475	0.7
122.09640	1.4
123.08093	2.1
127.05783	0.9
129.06607	2.1
130.05025	6.1
130.06895	4.1
130.08629	1.7
133.10147	3.5
135.40353	0.5
139.05792	1.6
141.03772	0.6
142.03183	2.1
144.01151	7.9
145.06052	0.9
156.08430	17.3
156.10204	8.8
157.06850	6.7
162.02225	18.6
167.07101	3.2
174.09497	11.7
179.04848	8.2
181.30420	0.6
184.07933	1.0
187.05377	0.7
189.03278	1.2
209.08156	1.1
210.11269	2.7
216.06879	4.7
227.09113	2.1
233.05942	2.2
245.06125	0.8
259.11148	100.0
260.09653	1.8
274.25800	0.7
277.12219	2.1
285.12607	1.4
308.09088	0.9
313.12204	4.6
325.94751	0.6
331.13312	6.1
365.09634	0.6
388.15320	1.8
390.10941	0.7
406.16483	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63487	1.7
54.46275	1.5
55.01866	4.1
55.05501	2.7
56.05027	6.0
57.03427	6.7
57.07088	2.2
58.99591	10.9
67.05492	6.4
68.05016	1.9
69.03418	4.6
69.07071	15.1
70.06596	4.5
71.04994	7.8
71.12260	1.7
73.01125	2.5
74.00649	1.9
76.02225	22.0
76.03992	3.0
79.05499	11.2
81.03406	3.1
81.07063	19.6
81.76875	1.5
83.04984	2.2
83.06105	2.0
84.04508	28.3
85.01102	4.5
85.02913	15.8
85.06549	37.4
86.00659	4.6
86.09727	1.7
86.99046	5.0
87.02683	7.0
91.05472	5.7
91.49703	1.7
92.78559	1.7
93.07029	7.7
94.06592	1.7
95.04989	4.4
95.08600	4.2
97.02881	4.6
97.06530	4.9
98.09705	8.7
98.97579	3.2
99.04459	1.7
99.08085	6.5
102.05549	6.8
105.03366	4.3
105.07024	9.3
107.04908	3.4
107.08611	8.7
109.02853	2.9
109.06512	2.9
109.10155	2.6
110.09685	2.1
111.04437	5.1
111.86052	1.6
112.03983	3.9
112.07603	2.1
113.04226	5.1
115.18432	1.7
116.01682	27.0
117.07002	2.5
119.08577	6.3
121.06520	5.6
121.10162	9.3
123.04441	2.3
123.08042	3.3
123.11677	1.9
125.42713	1.6
127.03954	2.9
127.05769	1.6
128.98578	1.9
129.06712	2.5
130.05014	11.1
130.06851	5.4
131.08580	25.6
133.10127	35.3
135.08058	4.5
137.05933	2.7
137.09621	2.0
139.05777	2.9
140.07072	1.9
142.03239	2.6
143.01817	1.7
144.01149	11.8
145.04994	2.0
145.06001	1.8
145.10138	11.1
146.98476	1.6
147.08064	2.0
147.11671	2.7
149.09644	21.0
156.08415	17.9
156.10193	12.5
157.06844	9.1
162.02219	29.4
163.11185	6.8
165.09105	3.0
167.07057	3.8
167.10674	11.2
173.09567	3.9
173.13249	13.0
174.09500	12.5
179.04861	12.1
191.10687	25.8
191.14293	27.2
209.11728	34.4
209.15285	9.9
210.11365	2.9
213.10912	1.9
214.75691	1.5
216.06839	7.6
227.12785	64.9
233.05972	2.4
259.11133	100.0
260.09387	2.9
277.12225	2.7
313.12103	5.4
331.13220	6.9
388.15326	3.3
389.13199	1.8
399.14691	1.9
406.16699	7.5
418.33545	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	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
56.96567	2.1
57.03421	3.7
67.81268	1.2
69.03446	5.9
69.07060	1.5
70.06590	1.7
70.65566	3.0
71.05008	2.5
73.02932	1.7
76.70788	1.1
79.05486	5.5
81.03423	3.5
81.07040	3.2
85.02908	13.7
87.04475	2.1
89.06040	1.2
91.05489	4.2
93.07055	9.9
95.04980	3.2
97.02903	7.5
97.32721	1.1
98.97575	2.0
99.04442	1.5
107.04933	1.8
109.02867	3.3
109.06549	1.5
111.08047	1.2
115.03886	1.5
116.34267	1.4
120.58157	1.2
121.02876	1.4
121.06513	16.6
123.04436	2.9
123.08102	7.7
127.03960	5.9
137.05966	2.0
139.03923	2.0
139.07562	13.9
140.07088	1.4
141.05502	1.4
145.04997	3.6
146.35681	1.3
149.06003	6.1
153.01842	3.5
155.10834	1.2
165.05566	2.1
167.07056	100.0
168.07404	1.8
169.04987	2.7
170.05383	2.3
177.05479	2.6
185.08185	1.7
193.44763	1.1
198.05238	7.3
199.09663	87.2
219.01981	1.3
232.03113	1.6
234.06070	1.5
236.09372	2.0
237.02777	2.0
244.05841	44.5
259.11197	2.7
360.09180	2.0
406.11063	98.6
407.11301	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05500	1.2
56.05025	0.9
56.53240	0.7
56.96577	1.0
57.03437	2.5
57.07080	0.8
61.02933	1.9
67.05499	1.3
69.03428	3.0
69.07076	0.8
70.06577	0.9
70.16347	2.9
71.05005	4.4
73.02868	1.0
79.05494	2.7
81.03418	1.7
81.07061	2.5
83.04985	1.0
84.04516	1.0
85.02914	11.1
85.06555	1.8
86.09695	1.0
89.06046	4.5
91.05489	2.9
93.07053	4.7
95.04979	1.7
95.08611	5.1
97.02893	2.9
97.06533	2.1
98.97597	5.5
99.04445	1.9
99.08105	1.0
102.05582	0.7
103.05519	1.1
105.07036	12.1
107.04987	1.0
107.08611	5.7
109.02896	1.8
109.06550	1.2
109.10165	2.3
111.08069	1.3
112.07638	1.3
116.98627	1.3
117.07092	0.9
119.08586	8.5
120.41034	0.8
121.10151	100.0
122.10513	0.8
123.04492	0.9
123.08067	2.5
123.11723	4.7
125.02451	0.9
125.05981	0.8
127.03945	3.4
131.08586	4.2
133.06509	3.4
133.10133	11.7
134.06819	1.1
135.08051	2.0
135.11708	4.4
137.06010	5.8
139.03940	1.3
139.11186	2.7
145.04976	2.1
145.10110	1.6
147.11687	7.1
149.09579	1.0
149.13278	2.2
151.11214	1.8
157.10289	0.8
158.11026	1.4
158.99672	1.8
161.13297	0.7
163.07526	1.7
163.14803	3.9
165.09105	2.4
173.13275	15.2
175.14867	1.5
177.00732	1.0
181.08635	1.3
189.12788	2.7
191.10712	1.4
191.14333	28.0
192.04684	0.8
207.13823	1.5
209.11768	2.4
209.15375	22.1
215.09389	3.9
225.14836	0.9
226.08636	2.3
227.13005	5.6
227.16425	30.5
237.02786	1.2
244.09680	4.2
244.16220	1.3
255.11226	0.9
259.11111	2.8
263.09665	1.4
281.10422	1.1
305.10583	0.7
309.58139	0.7
380.66934	0.8
389.13449	5.5
406.18018	8.9
407.14343	2.9
425.14920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
53.32271	1.0
57.23579	1.3
61.02923	1.4
67.05500	2.4
69.03420	4.2
69.07058	4.0
69.36910	8.3
71.04974	3.2
78.04707	1.4
79.05486	4.0
81.03416	2.1
81.07055	2.8
83.04983	3.1
83.08624	1.2
85.02431	1.6
85.02908	19.8
85.06532	1.6
86.03229	1.2
89.25589	1.0
91.03960	1.4
91.05470	3.2
93.07050	9.7
95.04960	2.9
95.08051	1.7
95.08611	18.1
97.02882	6.3
97.06525	5.1
98.97594	2.3
99.08073	3.8
103.05473	2.8
105.07038	14.3
106.07345	2.1
107.04968	2.6
107.08604	12.3
109.02874	1.4
109.06503	3.0
109.10147	7.4
111.08047	1.3
119.08566	4.4
121.06503	2.8
121.10156	17.0
123.04465	2.2
123.08088	2.2
123.11716	1.7
125.09645	4.6
127.03867	3.9
131.04958	2.2
131.08586	5.8
133.06470	3.6
133.10135	100.0
134.06837	2.7
135.08075	5.9
135.11659	3.2
137.05951	2.9
137.09590	1.2
138.06290	1.3
139.03882	1.3
139.11145	2.2
143.08578	1.6
145.04935	3.9
145.10109	4.0
147.11713	5.6
149.09645	13.1
149.13234	4.9
151.07558	1.4
151.11191	27.0
152.04706	1.4
158.10912	3.8
161.05957	2.0
163.06111	2.5
163.07538	4.5
163.14870	7.9
164.07890	3.7
164.18593	1.2
166.09445	1.5
167.07051	28.8
168.07390	21.4
173.13275	34.6
191.14319	60.2
193.08566	4.4
194.08919	5.3
209.12148	1.9
209.15384	40.6
226.12270	4.6
226.14537	1.3
227.16374	3.1
244.13387	2.3
292.91431	1.2
297.50891	1.1
303.04904	1.8
316.12558	1.2
325.05432	1.3
356.15613	2.6
364.06699	1.2
371.20602	1.7
377.01712	1.8
402.34607	1.1
407.13239	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.05506	1.1
57.03443	3.1
57.07067	0.8
61.02912	1.5
63.83830	0.6
65.81434	0.6
67.05488	1.3
69.03442	3.5
69.07064	2.0
69.18851	6.2
69.19257	0.8
71.05000	4.1
79.05494	0.9
81.03400	1.1
81.07058	2.3
83.04982	1.0
83.08607	1.1
85.02909	9.9
85.06531	1.0
89.06020	2.0
91.05486	0.8
93.07047	2.7
94.28602	0.6
95.05009	0.9
95.08624	3.2
97.02884	2.6
97.06524	1.2
99.04487	0.6
103.92947	0.6
105.07043	5.9
107.08602	9.2
109.02905	1.0
109.06529	1.5
109.10165	7.7
111.08092	1.6
116.88441	0.6
119.08632	4.0
121.10156	70.9
122.10497	0.7
123.08050	1.5
123.11684	3.1
125.09657	1.8
127.03897	1.1
129.09071	0.8
131.08557	3.1
133.10130	6.7
133.24832	0.7
135.08093	2.1
135.11691	3.6
137.09666	4.3
139.11179	2.9
145.04955	2.0
145.10197	0.9
147.11685	7.0
149.09619	1.3
149.13274	5.3
151.11203	5.4
153.09109	1.6
158.10950	0.9
163.14824	5.9
165.12862	0.9
169.12271	3.9
173.13287	11.7
176.10167	0.7
191.14326	29.9
209.15390	16.9
227.16441	100.0
228.16718	1.4
412.02731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52461	0.6
55.05516	1.3
57.03431	2.3
57.07075	0.9
59.05006	0.8
61.02926	0.7
67.05502	1.7
69.03442	3.3
69.07054	2.4
69.56364	3.5
71.04991	3.4
79.05493	1.4
79.58027	0.7
81.03410	0.8
81.07050	4.3
83.04987	2.9
83.08641	1.2
85.02911	7.4
85.06535	0.9
89.06014	1.1
91.05479	1.2
93.07065	3.2
95.05024	0.7
95.08626	4.8
97.02904	1.6
97.06521	1.4
105.07034	4.4
107.08610	10.4
109.02886	0.8
109.06525	0.7
109.10175	8.0
111.08080	1.8
119.08591	3.7
121.06474	0.8
121.10155	54.1
123.08088	0.7
123.11706	4.3
125.09639	2.5
127.03951	0.9
131.08595	2.9
133.10156	5.6
135.08063	3.1
135.11751	3.6
137.09631	5.0
139.11172	4.6
145.04970	1.3
145.10120	1.0
147.11720	4.9
149.09598	1.3
149.13280	5.6
151.11198	12.7
153.09058	0.9
158.10921	1.8
163.14850	5.4
165.83011	0.8
169.12251	2.7
173.13281	11.0
191.14325	26.3
209.15398	17.0
227.16441	100.0
228.16847	1.9
293.72107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41883	1.0
52.61225	1.0
55.05499	1.5
57.03430	3.6
57.07063	1.0
69.03413	3.1
69.07063	2.4
69.49675	5.0
69.50087	2.6
71.04965	1.8
81.07068	2.2
83.04983	3.3
83.08602	1.5
85.02923	1.7
93.07033	3.1
95.04934	1.5
95.08607	4.5
105.07026	1.7
106.95785	1.0
107.08598	13.7
109.10172	11.6
111.08089	1.4
116.53491	1.0
121.10160	12.4
123.08064	2.1
123.11720	2.0
124.08432	1.1
125.09606	3.1
131.08574	1.7
133.10121	4.9
135.08051	1.5
135.11679	3.1
137.09615	6.6
139.11191	2.0
147.11693	2.0
149.09657	1.7
149.13277	8.0
151.11197	17.4
153.09122	1.8
158.10828	1.5
163.14856	10.2
165.12660	1.5
165.88910	0.9
169.12262	5.7
173.13280	8.9
191.14325	32.0
209.13550	1.3
209.15425	19.8
227.16449	100.0
336.37405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.9
57.03423	1.3
60.28442	1.3
67.05500	2.3
68.81247	1.2
69.03440	2.2
69.39391	5.5
69.39809	3.1
71.05032	2.6
80.91013	1.2
81.07072	3.2
83.04989	7.8
83.08635	10.6
85.02911	4.5
87.59008	1.1
93.07042	1.9
95.04977	55.5
95.08615	1.7
95.93376	1.0
97.02917	1.5
97.06547	1.6
97.10186	2.0
99.04460	13.8
105.07033	1.7
107.08617	3.9
107.79355	1.0
109.09471	1.1
109.10133	5.8
109.23751	1.2
111.08127	1.8
121.10184	1.5
123.11705	2.0
125.09668	2.6
131.08664	1.4
133.10146	6.6
137.09702	1.3
149.13272	2.5
151.11217	12.7
153.09106	20.4
167.14340	14.9
173.13316	3.1
191.14336	3.9
205.77449	1.1
209.15392	100.0
227.16432	5.3
371.20456	1.8
418.72586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01870	4.4
55.05516	2.8
56.05042	5.5
57.03440	5.6
58.99591	8.9
61.02925	1.5
64.19290	1.1
67.05505	2.2
69.03426	3.1
69.07066	3.6
70.06602	2.8
70.68262	2.8
71.04998	2.6
73.01126	1.3
74.00671	1.4
76.02235	20.6
76.04030	2.5
79.05502	8.1
79.59361	1.0
81.07061	23.4
81.33634	1.1
83.06099	1.6
84.04507	24.2
85.01131	2.3
85.02913	9.4
85.06549	14.0
86.00658	3.7
86.99049	6.3
87.02718	5.4
88.02233	1.8
91.05482	5.1
93.07049	4.8
95.04972	3.9
95.08611	6.4
97.02927	2.0
97.06548	4.7
98.09696	12.3
98.20821	1.4
99.04457	2.3
99.08083	6.3
102.05546	4.9
105.07054	9.5
107.04950	2.5
107.08610	5.4
109.06533	5.8
109.10163	2.7
110.09714	1.3
111.04451	1.1
111.08134	1.2
112.03969	2.8
112.07627	1.6
113.04237	4.9
115.05786	1.5
116.01688	19.4
117.07004	1.5
119.08604	4.1
121.10139	3.8
123.08057	3.1
123.11735	1.6
127.03931	1.9
129.06546	1.9
130.04973	6.4
130.06857	4.2
131.08580	21.0
133.10141	100.0
135.08093	5.3
139.05785	1.8
139.80502	1.1
140.07086	1.3
142.03233	2.3
144.01129	8.8
145.04982	1.6
145.10109	7.1
147.08038	1.3
147.11742	2.7
149.09599	7.7
149.13275	2.8
156.08418	17.4
156.10243	9.7
157.06825	6.0
158.10893	2.3
162.02220	22.7
163.11243	3.7
165.09210	1.4
167.07010	1.9
167.10730	3.5
168.07480	1.3
170.70999	1.0
173.13277	27.4
174.09503	13.2
179.04874	8.8
191.10753	9.3
191.14314	72.9
193.45436	1.2
198.05357	1.1
209.11841	14.2
209.15375	31.4
210.11226	2.5
216.06889	5.8
227.12805	23.0
252.09053	1.2
259.11136	90.6
260.09326	2.0
277.12225	2.8
313.12140	5.8
331.13297	6.9
343.13153	1.3
371.20856	1.4
388.15167	2.9
389.13422	1.6
406.16666	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	407.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.4
56.96552	2.5
60.04483	1.3
61.02940	1.3
69.03413	4.3
70.06577	1.3
70.72004	3.6
79.05466	1.6
79.63566	1.2
81.03424	2.7
81.07045	1.6
83.04933	1.5
85.02937	6.2
86.09702	1.4
91.05472	1.4
97.02862	3.6
98.97559	4.8
99.04484	1.7
105.07030	1.9
109.02878	2.9
111.04417	2.0
116.98602	2.2
119.73599	1.1
121.02869	13.5
122.03173	5.5
123.04402	2.8
124.54777	1.3
127.03955	2.7
133.06506	1.4
137.05936	4.5
139.03909	1.7
139.07518	1.4
147.04434	1.6
153.01788	3.9
154.82887	1.5
161.05933	2.4
162.06415	1.3
167.06976	6.2
183.06477	2.2
193.08549	1.8
214.07986	1.8
219.01816	1.7
220.66960	1.2
224.49883	1.2
237.02711	1.5
245.06148	3.1
271.10938	1.4
343.13663	1.7
376.00500	1.6
381.59186	1.4
407.09409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
53.91011	1.8
55.01867	3.8
55.05513	15.2
56.96564	26.3
57.03433	9.2
61.02924	17.8
62.56157	1.8
67.05508	29.1
67.05843	3.8
69.03423	8.5
69.07073	19.5
70.29658	1.8
71.04998	3.2
71.95258	2.2
73.02920	6.8
75.27059	2.0
79.05497	27.1
79.44990	1.9
81.03417	22.4
81.07053	49.9
83.04982	5.8
83.08615	11.0
85.02905	17.5
90.73264	2.2
91.03941	10.8
91.05478	21.0
93.07036	25.4
95.04975	11.1
95.08611	47.3
97.02917	14.6
97.06534	3.9
97.10181	6.7
98.97589	7.7
99.04462	3.9
101.02402	4.5
103.03926	2.6
105.07034	27.5
107.04986	3.5
107.08598	22.2
108.08900	2.5
109.02881	4.9
109.10157	27.4
110.97582	3.1
111.08060	4.2
112.99133	2.5
117.07050	5.6
119.08583	23.9
121.06505	2.5
121.10149	17.3
123.08102	2.5
123.11701	5.4
125.09600	5.2
127.03902	4.5
127.59908	2.2
129.07011	4.1
131.08578	8.5
133.06511	4.2
133.10120	17.6
135.11684	10.9
137.13271	3.6
139.00684	2.8
143.08563	4.4
145.10135	9.7
147.07999	3.3
147.11649	16.1
149.09624	3.3
149.13254	11.0
153.02168	2.7
157.10138	7.4
159.11688	6.9
161.09541	2.6
161.13248	8.8
163.11185	3.2
163.14850	4.0
171.11650	4.3
173.13263	5.7
175.11201	8.4
175.14857	4.2
181.05301	2.9
183.06506	2.2
185.04877	9.8
185.13248	4.7
187.14792	7.3
189.11183	4.6
189.12776	3.4
189.16391	10.3
191.17981	7.1
193.12231	13.5
194.12781	2.0
197.13289	2.1
199.06435	5.6
199.14822	4.4
201.16388	6.5
203.05878	5.8
203.14317	7.9
203.17984	5.2
211.06419	3.5
211.13310	20.7
213.08005	4.9
215.17978	5.3
217.15884	8.6
217.19592	5.9
225.07845	3.9
227.17912	3.7
229.07515	15.6
229.14215	2.6
229.19484	2.7
231.06934	3.0
243.08942	5.6
247.08580	7.9
249.07968	6.2
253.19550	2.8
255.09108	3.8
255.20938	2.6
267.09033	70.1
268.09244	4.5
269.10645	13.5
269.22534	3.0
275.20078	4.2
283.20407	2.2
285.10114	100.0
285.16846	13.3
286.10446	5.6
287.11609	5.1
290.10629	3.1
293.13412	6.6
293.63464	2.5
308.11673	10.1
326.17734	2.4
331.15881	7.4
332.15991	2.4
349.16898	10.6
349.23587	3.6
367.17932	59.9
367.24875	2.7
368.18152	4.3
385.19061	10.5
389.32120	3.7
405.27176	2.5
406.35556	3.9
407.20120	10.4
407.32529	45.1
408.20587	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	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05508	5.6
56.96557	1.2
57.07076	1.7
67.05505	15.6
69.07075	6.6
70.58167	1.6
70.58537	1.4
79.05488	3.0
81.07058	12.7
83.08628	2.1
91.05483	4.0
93.07036	10.1
95.04973	1.6
95.08607	100.0
96.08955	0.8
97.10149	2.1
105.07033	10.0
107.08598	11.3
109.06522	2.1
109.10159	9.5
111.08099	0.8
111.11679	0.7
117.06999	1.4
119.08583	10.7
121.06558	0.9
121.10143	9.0
123.08080	1.1
123.11710	4.8
128.06281	0.8
129.07021	1.9
131.08566	7.6
131.22536	0.7
133.06506	0.8
133.10124	5.8
135.08113	1.1
135.11682	7.6
137.09605	0.8
137.13251	3.5
141.07091	1.0
142.07730	0.9
143.08583	3.1
143.47818	0.7
145.10135	14.3
147.08018	1.5
147.11693	7.7
149.09592	1.3
149.13260	4.0
151.14809	0.8
155.08575	2.2
156.09384	2.0
157.10129	6.1
158.10887	0.7
159.08057	1.4
159.11685	8.0
161.09703	1.0
161.13269	5.8
163.14857	1.5
167.08643	0.7
168.09331	0.8
169.10143	3.7
170.10959	0.9
171.11661	5.6
172.12485	0.8
173.09624	0.8
173.13281	4.4
175.11301	1.8
175.14832	2.7
177.16402	1.6
181.10181	0.8
182.10802	1.1
183.11671	3.9
184.12466	0.9
185.09709	0.9
185.13266	5.3
187.11287	1.2
187.14827	31.0
189.12746	1.7
189.16341	5.6
191.17998	1.9
194.10760	0.8
195.11725	2.6
195.46812	0.7
197.13303	2.9
199.14793	3.4
201.16351	5.8
203.14285	4.9
203.17952	3.7
209.13274	1.6
211.14775	4.8
213.12749	0.8
213.16307	3.3
215.14339	1.1
215.17917	3.3
217.15887	4.5
217.19563	1.5
219.17404	1.2
223.14789	2.1
224.15543	0.9
225.16409	2.0
227.14406	1.0
227.18001	4.3
229.15865	3.4
229.19473	1.8
233.19054	1.1
237.16344	3.1
239.18004	3.2
241.15927	1.3
241.19482	1.9
243.17470	1.2
251.17990	2.5
253.19536	5.0
255.17455	4.0
255.21175	2.4
257.19031	3.7
265.19595	1.0
267.21060	2.7
269.19022	2.2
269.22589	1.0
271.20474	1.1
277.19479	1.0
279.21097	1.7
281.22638	0.7
285.22192	0.9
293.22513	1.1
313.25211	8.1
333.25482	0.8
337.43484	0.7
379.33719	1.1
389.32004	11.9
407.33063	85.6
408.33398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
57.07071	2.1
67.05187	0.5
67.05511	6.5
69.07084	5.7
73.97198	0.5
79.05504	4.4
81.07067	10.7
83.04989	0.7
83.08640	3.4
91.05475	5.0
93.03422	0.5
93.07053	8.7
95.04994	0.6
95.08618	23.5
97.06533	1.6
97.10188	0.8
98.21500	1.5
100.21629	0.7
105.07046	7.2
107.04996	0.7
107.08601	10.9
109.06516	1.5
109.10169	7.3
114.33147	0.5
117.07030	1.7
119.04955	0.8
119.08584	9.9
121.06547	2.7
121.10159	9.8
123.08057	0.9
123.11703	4.5
128.06242	0.8
129.06996	1.6
131.08578	5.2
133.06494	1.6
133.10144	6.8
135.08066	11.8
135.11687	5.6
137.13243	4.0
142.07755	1.2
143.08594	2.5
144.09357	0.7
145.06514	0.9
145.10147	7.9
147.08072	5.3
147.11711	5.7
149.09619	8.8
149.13269	5.6
151.11174	2.4
151.14835	0.7
155.08606	1.1
157.10135	4.0
159.08070	4.0
159.11702	5.9
161.09656	5.1
161.13297	4.6
163.11154	1.3
163.14839	2.2
169.10120	1.2
170.10870	0.8
171.08067	2.4
171.11693	3.2
172.08826	1.7
173.09599	3.2
173.13290	4.0
175.11147	2.8
175.14836	3.8
177.16402	0.7
183.11688	1.5
185.09641	3.6
185.13304	2.2
186.10240	0.7
187.11212	5.1
187.14830	5.1
189.12746	3.1
189.16403	9.6
191.17906	2.7
197.13319	0.9
199.11185	2.6
199.14900	1.8
201.12778	5.7
201.16388	3.1
203.14326	9.5
203.17969	2.4
207.11877	0.6
209.13255	0.9
211.14848	1.3
213.12714	3.1
213.16374	0.9
215.14285	1.8
215.18022	0.9
217.15889	7.8
217.19524	1.1
225.12915	0.7
225.16391	0.9
227.14359	0.9
227.17955	0.7
229.15921	1.7
229.19510	0.7
235.14897	0.6
239.14299	1.0
239.17931	0.8
241.15854	1.2
243.17496	1.0
249.16211	0.6
251.17984	1.1
253.15871	1.3
255.17439	2.0
255.21101	1.0
257.19034	2.5
269.19122	2.8
271.20593	1.0
281.19217	0.7
283.20657	0.7
313.25360	0.7
319.24185	1.7
323.23621	0.9
337.25275	9.5
365.32025	1.4
389.32095	2.2
407.33133	100.0
408.33536	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05510	4.0
57.07069	1.1
65.03933	0.8
67.05505	14.1
69.07066	5.0
69.13213	0.4
70.92332	0.9
79.05495	2.6
81.07063	8.5
83.08622	1.8
91.05482	3.3
93.07042	7.7
95.08606	100.0
97.06499	0.5
97.10170	1.2
104.93015	0.4
105.07033	6.1
107.08593	8.2
109.06539	2.0
109.10156	7.1
111.11726	0.6
115.88490	0.4
117.07008	0.9
119.08576	7.6
121.06546	0.9
121.10145	5.9
123.08057	0.9
123.11719	3.5
129.06960	0.4
131.08560	3.4
133.06529	0.7
133.10136	5.5
135.08060	1.0
135.11691	5.5
137.09625	1.1
137.13268	2.0
143.08546	2.0
145.10112	4.2
147.08054	1.5
147.11703	4.6
149.09659	0.9
149.13237	2.8
151.14816	0.8
155.08475	0.7
157.10124	2.6
159.08067	1.1
159.11699	4.7
161.09636	2.0
161.13223	3.4
163.14861	1.2
165.12840	0.4
169.10126	1.1
171.11714	1.5
173.09644	0.9
173.13258	2.5
175.11227	1.7
175.14870	2.4
177.12836	0.5
177.16383	1.0
183.11693	1.2
184.12518	0.5
185.09557	0.8
185.13271	1.6
187.11169	1.0
187.14819	3.8
189.12720	2.1
189.16386	5.0
191.17976	2.1
195.11743	0.5
197.13280	1.3
199.14790	2.7
201.16402	4.1
203.14322	7.1
203.17941	4.8
205.15886	1.6
205.19579	0.5
209.13289	0.7
211.14815	0.9
213.16367	1.2
215.14333	1.0
215.18004	1.6
217.15877	6.6
217.19629	0.8
219.17421	0.8
223.14880	0.5
225.16364	0.6
227.17862	1.2
229.15941	1.4
229.19524	1.8
231.17500	0.5
237.16354	0.9
239.18042	0.8
241.15836	0.8
241.19489	0.6
243.17462	1.0
245.19077	0.8
251.17879	1.2
253.19527	1.3
255.17468	2.3
255.21063	1.0
257.18991	2.3
265.19458	0.7
267.21078	1.0
269.18900	2.0
271.20627	1.5
279.21048	0.5
283.20538	0.6
291.21072	0.4
293.22519	0.5
297.22021	0.5
311.23880	0.5
313.25241	9.8
323.23752	0.5
325.25302	0.5
333.25726	0.5
337.25415	0.5
355.95578	0.4
365.28696	0.5
379.33505	1.1
389.31943	8.0
407.33087	65.1
408.33374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
56.96580	2.0
57.03446	0.6
57.07080	1.2
61.02920	1.3
65.03951	0.4
67.05516	4.0
69.03427	0.6
69.07068	3.7
70.11113	1.1
73.02921	0.4
79.05502	2.7
81.03423	0.8
81.07068	8.6
83.05006	0.4
83.08623	1.5
85.02913	1.0
91.03984	0.6
91.05486	3.4
93.07062	4.7
95.04974	1.1
95.08622	12.6
97.02879	0.8
97.06503	0.4
97.10183	1.3
98.97623	0.5
105.07043	7.4
107.04979	1.3
107.08611	7.0
109.06503	0.3
109.10172	4.9
110.97603	0.4
117.07050	0.8
119.08594	9.8
121.06512	1.1
121.10160	4.9
123.08097	0.5
123.11726	3.1
127.03879	0.3
129.07030	0.6
131.08600	1.4
133.06508	7.4
133.10144	6.4
135.08078	1.0
135.11716	3.7
137.09683	0.3
137.13275	1.9
143.08557	0.7
145.10136	2.2
147.08052	2.5
147.11705	6.0
149.09720	0.5
149.13290	3.1
155.08537	0.5
156.09346	0.3
157.10139	1.3
158.99728	0.4
159.08069	0.9
159.11749	1.5
161.09650	3.2
161.13283	7.2
163.14859	1.0
169.10188	0.3
171.11758	0.7
173.09631	1.1
173.13286	1.8
175.11206	9.0
175.14850	3.1
177.12784	1.8
177.16425	0.7
183.11787	0.5
185.10902	0.4
185.13316	0.4
187.11194	1.0
187.14850	1.6
188.12079	0.4
189.12781	6.9
189.14534	0.5
189.14874	0.4
189.16373	3.5
191.18019	0.9
195.11681	0.3
197.13333	0.6
199.11356	0.3
201.12770	0.6
201.16458	1.1
203.14345	8.5
203.16240	0.6
203.17892	1.7
205.15918	0.6
205.19556	0.4
211.13109	0.4
211.14967	0.4
215.14391	0.6
215.17946	1.0
217.07434	0.3
217.15916	16.7
217.19202	2.4
227.18025	0.5
228.90009	0.5
229.07359	0.3
229.15984	1.6
229.19502	0.5
231.17480	0.7
239.17996	0.6
241.15878	0.7
241.19678	0.3
243.09123	0.8
243.17416	1.9
244.18410	0.3
251.11523	0.4
251.18083	0.6
253.19560	0.5
255.17535	1.2
255.21225	0.6
257.19067	2.2
267.09067	1.1
268.09424	0.5
269.19022	1.0
271.20648	0.5
278.25864	0.3
283.20541	0.6
284.12466	0.3
285.10193	1.0
286.10571	0.7
349.16434	0.6
389.32111	0.8
407.33127	100.0
408.33554	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05509	3.4
57.07074	1.1
62.26366	0.3
65.03934	0.5
67.05507	12.3
69.03429	0.7
69.07068	3.8
70.76313	0.9
73.26397	0.3
77.03909	0.3
79.05492	2.9
81.06589	0.4
81.07062	8.0
83.08620	1.9
83.21376	0.4
91.05476	2.4
93.07041	7.3
95.04940	0.7
95.08608	100.0
95.19578	0.3
96.08937	0.7
97.06535	0.4
97.10180	1.3
105.07043	6.4
107.04975	0.4
107.08595	7.5
109.06513	2.2
109.10155	6.7
117.07021	1.3
119.08581	8.1
121.06494	1.0
121.10152	6.0
123.08046	0.6
123.11715	4.0
129.06999	0.5
131.08572	2.4
133.06500	0.7
133.10133	4.7
135.08052	0.5
135.11699	4.8
137.09555	0.5
137.13258	3.2
142.07773	0.5
143.08572	1.8
144.09300	0.4
145.06555	0.4
145.10144	4.3
147.08083	2.2
147.11668	4.5
149.09644	0.4
149.13237	2.9
155.08510	0.4
157.10143	2.5
159.08075	1.2
159.11719	3.3
161.09625	2.0
161.13248	3.2
163.11113	0.5
163.14836	1.4
169.10133	0.8
171.08049	0.9
171.11708	1.3
173.09636	1.3
173.13286	2.3
175.11256	1.7
175.14804	2.4
177.12805	0.5
177.16385	0.7
177.18791	0.4
179.14366	0.6
183.11728	0.8
185.09589	0.7
185.13324	1.6
187.11206	1.2
187.14806	4.1
189.12721	2.6
189.16371	5.1
191.14314	0.5
191.17921	1.9
193.15875	0.4
195.11697	0.6
197.13260	1.2
199.11200	0.5
199.14816	2.5
201.12730	0.8
201.16383	4.6
203.14325	8.9
203.17937	3.9
205.15906	1.5
209.13261	0.5
211.14828	1.0
212.29578	0.3
213.12802	0.4
213.16406	1.7
215.14297	0.9
215.17970	1.5
217.15891	6.3
217.19531	1.6
219.17525	0.8
223.14809	0.8
225.16397	0.7
227.14351	0.6
227.17978	0.7
229.15956	1.8
229.19524	1.9
237.16426	1.0
239.18013	0.8
241.15833	1.0
241.19569	0.7
243.17456	1.2
243.21013	0.4
245.18936	0.6
251.17946	0.7
253.19493	1.0
255.17372	2.2
255.21109	1.1
257.19061	3.8
265.19431	0.4
267.21136	0.8
269.19003	1.4
269.22668	0.9
271.20615	1.7
279.21176	0.4
281.22437	0.4
283.20477	1.1
295.24051	0.5
297.22208	0.5
311.17178	0.4
311.23615	0.6
313.25262	9.9
323.23773	1.0
325.24866	0.5
327.42056	0.4
337.28873	0.4
347.27402	0.5
379.33966	0.8
389.32043	6.3
407.33093	67.9
408.33594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01866	0.5
55.05513	2.7
56.96566	1.9
57.03435	0.7
57.07057	1.1
58.30701	0.3
61.02922	0.9
63.06179	0.3
65.03919	0.4
67.05510	4.5
69.03410	0.6
69.07079	4.4
69.86606	1.4
73.02933	0.6
78.56634	0.3
79.05499	3.0
81.03413	0.9
81.07057	9.3
83.04964	0.5
83.08615	1.7
85.02885	1.0
87.59698	0.3
91.03939	0.6
91.05482	3.5
93.07043	5.7
95.04970	1.1
95.08613	13.6
97.02892	1.0
97.06540	0.5
97.10168	1.1
98.03230	0.4
98.20696	0.3
98.97587	0.8
105.06387	0.6
105.07047	8.0
107.04959	1.2
107.07881	0.4
107.08595	7.3
109.10159	5.7
111.08034	0.3
116.98628	0.5
117.07048	0.6
119.08588	9.5
121.06485	0.5
121.10152	5.0
122.34445	0.4
123.11705	3.1
129.05447	0.4
129.07028	0.7
131.08556	1.6
133.06500	6.1
133.09142	0.4
133.10127	5.9
135.08046	0.7
135.11694	3.9
137.09651	0.5
137.13274	2.0
142.07793	0.5
143.08594	0.7
145.10094	1.5
146.99686	0.4
147.08020	3.1
147.11694	4.6
147.46193	0.3
149.01115	0.4
149.09645	0.6
149.13255	2.7
151.14795	0.5
155.08553	0.9
157.10126	1.5
158.99731	0.4
159.08055	0.8
159.11671	1.9
161.09673	2.7
161.13257	7.0
163.14795	1.2
169.10056	0.5
171.07991	0.5
171.11685	0.9
173.09689	1.0
173.13289	1.5
174.10451	0.4
175.11186	10.4
175.14818	3.0
175.30861	0.3
177.00694	0.4
177.12753	1.5
177.16406	0.6
182.59799	0.3
183.11630	0.4
185.13290	0.6
187.11328	0.7
187.14807	1.4
189.12753	7.2
189.14543	0.6
189.14873	0.5
189.16393	4.1
191.14305	0.7
191.17972	1.1
197.13228	0.6
199.06447	0.4
199.11287	0.5
199.14862	0.4
201.12810	0.5
201.16351	0.9
203.14325	10.1
203.17990	1.6
205.15878	0.4
213.16422	0.9
215.14456	0.4
215.17918	0.8
217.07539	0.7
217.15884	17.1
217.19202	2.8
227.14392	0.4
227.17947	0.4
229.15868	1.5
231.17453	0.8
239.18068	0.4
241.15945	0.7
243.08942	0.5
243.17496	1.2
243.21149	0.7
251.17955	0.5
253.19536	0.6
255.09045	0.4
255.17453	1.9
255.21164	0.7
257.19055	2.3
267.08969	1.4
269.10593	0.5
269.19077	1.0
271.20676	0.4
273.10101	0.5
281.18985	0.4
283.20660	0.7
285.10153	1.1
286.10318	0.5
309.22147	0.4
349.16711	0.6
364.27707	0.4
375.43350	0.4
389.32220	0.7
407.33078	100.0
408.33417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01861	1.9
55.05516	7.2
56.96564	2.5
57.03429	1.8
57.07080	2.7
61.02933	1.2
67.05510	12.5
69.03442	5.4
69.07066	12.4
69.67908	1.2
71.04989	7.1
71.54966	1.6
73.02914	1.1
79.05496	9.4
81.03410	4.4
81.07059	32.4
83.04982	3.1
83.08617	5.8
85.02916	7.0
85.06539	2.2
86.09714	1.4
91.05489	11.2
92.84951	1.3
93.07048	19.4
95.04991	6.2
95.08607	49.8
97.02867	2.5
97.06540	2.4
97.10182	2.9
98.97581	6.7
99.04469	5.5
103.05479	2.0
105.07033	20.5
107.04970	6.3
107.08593	26.4
109.02876	3.5
109.06499	3.7
109.10159	20.2
111.08089	1.7
115.05450	2.3
116.98658	1.4
117.07004	3.2
119.04900	1.8
119.07799	1.7
119.08590	21.9
121.02860	1.3
121.06516	2.9
121.10139	18.0
122.10471	1.8
123.04437	2.2
123.08077	5.6
123.11694	9.5
127.03907	3.2
127.11184	2.6
128.06203	2.4
129.06998	4.2
130.06485	2.2
131.04912	1.7
131.08582	12.9
132.04466	1.2
132.08095	2.5
133.06528	2.3
133.10143	16.3
135.08063	3.2
135.11705	15.7
137.06009	9.4
137.13264	10.1
139.11148	1.6
141.06975	3.0
142.06741	1.0
142.07802	4.0
143.08566	15.0
143.10706	1.6
144.09366	1.9
145.10127	14.5
147.08105	1.3
147.11697	12.0
149.05992	1.7
149.09650	2.2
149.13243	10.1
151.07507	1.7
151.11192	2.6
151.14871	4.3
153.09097	2.6
155.08572	5.3
156.09343	1.9
157.10156	15.2
158.99696	2.1
159.09210	4.7
159.11693	11.8
161.06010	3.4
161.09576	1.4
161.13261	15.5
163.07590	6.2
163.11156	1.3
163.14810	3.4
165.12740	3.1
167.07065	30.8
167.08458	1.9
167.10794	1.8
167.14349	8.9
169.10089	7.3
170.06033	1.6
170.10872	3.0
171.08049	5.3
171.11716	10.7
173.13287	9.8
174.13710	1.9
175.07509	1.2
175.14851	12.7
177.05522	1.4
177.16406	3.1
179.07156	2.2
179.14288	8.3
180.14543	1.4
181.04922	1.4
181.08597	2.1
181.10106	3.8
182.10989	1.3
183.11690	9.9
183.13371	1.4
183.13689	1.2
185.09586	2.2
185.11650	2.0
185.13226	16.3
186.13997	2.7
187.14813	9.0
189.09070	2.8
189.12695	1.9
189.16396	19.4
191.07086	2.0
191.14305	3.6
191.17941	5.2
192.14667	3.4
193.08575	1.4
193.10173	2.2
193.15918	3.1
194.10777	1.8
195.08200	1.3
195.10170	2.7
195.11717	4.7
197.13283	7.5
199.14822	14.3
201.09187	1.9
201.12987	1.3
201.16470	3.8
203.10675	16.6
203.14284	15.4
203.18027	3.5
205.15947	5.4
207.11765	2.6
207.13734	1.2
209.08090	1.4
209.13258	5.2
209.15404	8.3
210.15765	5.7
211.14828	3.4
211.16830	2.1
213.16472	2.8
214.08656	1.8
215.10632	1.2
215.14323	3.8
215.17923	3.4
217.15895	15.7
217.19441	3.2
219.01712	2.0
221.13217	1.4
222.14114	1.5
223.14796	3.9
225.16376	4.1
227.16364	13.7
228.16777	9.6
229.15924	2.8
229.19502	5.7
231.10281	1.8
237.02774	1.9
237.16443	4.4
239.17955	5.7
241.15924	1.6
241.19577	2.5
243.07924	1.3
243.10213	1.3
243.17407	2.5
243.21129	2.2
245.08134	3.3
245.11772	9.4
245.17455	6.8
251.18053	6.6
253.19554	4.3
255.17461	4.4
257.19022	5.9
262.17285	1.3
267.11063	1.5
267.21188	3.7
269.19012	22.7
271.20517	5.6
273.22055	2.1
274.49899	1.2
281.10666	1.2
283.10861	1.7
283.20490	2.5
285.22067	1.4
295.10941	1.8
318.11115	2.8
325.64972	1.5
326.15604	2.5
332.12439	1.6
333.13443	1.3
347.27194	1.6
357.10797	1.4
364.27606	4.2
371.15024	1.2
375.11893	4.3
389.32083	8.8
398.17029	1.4
406.67447	2.4
407.18335	10.9
407.33096	100.0
407.68365	2.8
408.33350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3677
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.58834	2.1
53.03954	2.2
55.05519	14.4
57.07065	9.3
67.05510	23.7
69.03434	4.6
69.07076	16.1
71.08640	2.6
71.53542	2.0
73.72948	2.2
79.05503	13.4
81.07061	49.8
83.08633	11.5
89.06023	4.3
91.05491	12.5
93.07044	24.9
95.08617	75.5
97.10174	7.5
105.07035	26.8
107.08607	49.0
109.06516	8.7
109.10168	48.2
111.11719	2.6
111.45061	2.1
117.07031	3.7
119.08586	41.1
121.10159	37.0
123.08056	2.5
123.11724	28.0
129.07057	2.3
131.08574	10.8
133.08614	2.5
133.10143	37.4
135.11700	25.9
137.13278	15.4
143.08585	10.4
144.09372	2.5
145.10152	22.4
147.11696	18.2
149.13264	21.1
151.14792	3.2
157.10165	18.5
159.11720	32.4
161.13275	20.9
163.14825	22.0
169.10194	6.4
170.10869	2.7
171.11690	10.4
171.66684	2.2
173.13315	14.5
175.14856	18.9
177.16434	19.9
179.17976	2.7
183.11769	6.7
185.13301	13.3
187.14848	32.4
189.16423	21.8
191.18004	12.3
197.13263	7.7
199.14821	5.1
201.16364	20.5
203.17986	23.7
205.19464	3.9
209.13336	2.6
210.13992	3.1
211.14851	6.0
213.16431	10.1
215.18034	12.9
217.19551	17.3
223.14856	2.2
225.16469	2.8
226.17181	4.8
227.17975	10.5
229.19580	11.8
231.21057	4.5
241.19579	4.8
243.21072	5.6
245.19142	2.3
245.22697	2.9
250.47862	2.5
253.19617	7.5
255.21130	7.8
257.22638	5.1
269.22595	9.6
279.20978	2.6
283.24216	3.1
294.23288	4.3
295.24234	4.5
297.22314	2.2
297.25632	3.9
299.27417	2.2
304.87296	2.1
311.23676	5.5
323.23676	3.2
337.28717	3.0
389.32050	7.7
407.24603	3.5
407.32721	27.1
407.36768	100.0
418.26520	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03926	2.2
55.05512	10.5
57.07068	5.2
62.33518	1.5
67.05505	21.8
69.07072	23.8
70.66310	4.9
74.86694	1.4
79.05495	10.8
81.07060	48.8
81.10931	1.3
83.08626	11.6
85.06509	1.3
91.05483	12.8
93.07043	27.3
95.08611	73.5
97.10162	5.7
105.04235	1.4
105.07032	27.8
107.08597	38.7
109.01577	1.3
109.06515	1.8
109.10162	43.3
111.11733	2.7
117.07013	4.4
119.08578	34.0
121.06555	1.5
121.10144	30.4
123.11722	17.5
129.07013	3.2
131.08592	8.9
133.10112	21.4
135.11699	20.7
137.13255	15.2
141.08997	1.3
143.08578	6.1
144.09268	1.4
145.10103	19.5
145.11163	2.2
147.11690	25.2
149.13252	16.4
151.14818	1.6
156.09341	1.8
157.10118	9.3
158.10941	1.5
159.11717	18.8
161.09641	1.5
161.13269	15.9
163.14828	13.0
163.41281	1.3
169.10153	2.0
171.11708	8.9
172.12518	1.6
173.13300	14.3
175.14836	13.4
177.16382	11.0
183.11678	3.8
185.13260	11.2
186.13867	2.0
187.14851	15.7
189.16383	17.5
191.17989	12.4
197.13330	5.7
199.14780	8.2
201.16420	14.8
203.14290	8.2
203.17952	19.0
205.19537	3.9
211.14818	3.4
213.16423	4.8
214.16901	1.6
215.17957	11.9
217.15968	3.3
217.19537	11.0
225.16335	2.0
227.17987	6.2
229.19521	10.6
231.21019	2.4
239.17932	3.1
241.19522	5.9
243.21181	4.4
253.19502	2.8
255.21111	9.6
257.22681	20.6
265.19623	1.9
267.21115	2.2
269.22659	14.2
271.24173	2.5
279.21115	1.7
281.22513	2.4
283.24252	4.0
297.25854	4.1
309.25934	1.9
311.23557	1.5
315.19525	1.6
323.27454	2.4
337.28955	2.1
351.30331	2.3
389.31882	4.6
407.32816	21.0
407.36755	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	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05517	10.7
57.07090	6.1
58.84523	0.9
65.03938	1.3
65.41153	1.0
67.05515	17.6
69.07073	25.9
69.17811	6.8
69.18234	3.9
79.05492	8.4
81.07064	54.3
83.08627	8.8
89.06052	1.5
91.05494	7.2
93.06483	1.5
93.07053	21.9
95.08614	56.3
97.10188	4.6
99.49037	1.1
105.07038	16.1
107.08604	28.7
109.10163	40.4
111.11712	2.6
117.07005	2.1
118.78864	1.0
119.08593	21.3
121.10153	25.6
123.11705	21.8
129.07013	1.2
131.08604	7.0
133.10141	15.7
135.11707	18.8
137.13263	16.4
143.08571	3.4
144.09387	1.6
145.10121	12.9
145.50853	1.2
147.11705	16.2
149.13260	15.1
151.14839	3.1
157.10182	5.6
159.11714	17.7
161.13251	15.3
162.62607	1.4
163.14807	9.7
165.16341	1.2
171.11691	6.2
172.12468	1.1
173.13272	11.9
175.14824	14.4
177.16412	10.0
179.17937	1.4
183.11617	1.3
185.13268	3.7
187.14838	11.8
189.16393	14.0
189.17979	1.9
191.17969	8.9
197.13290	1.2
199.14819	4.4
200.35277	1.1
201.16354	8.2
203.18005	7.3
205.19543	1.5
211.14957	1.4
213.16397	5.4
215.18022	8.9
217.19533	10.0
227.17976	7.9
229.19490	11.4
231.21127	4.4
241.19641	3.5
243.21178	3.8
245.22658	1.9
253.19444	1.4
255.21101	4.6
257.22708	9.3
267.21210	1.5
269.22736	6.8
271.24228	2.9
283.24170	7.4
285.25665	2.0
295.24286	1.9
297.25870	3.8
309.25671	1.2
311.27359	2.2
323.27365	3.3
325.29010	4.2
351.30673	2.5
365.32404	1.6
407.36780	100.0
408.37109	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	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.5
57.07076	3.1
64.90424	0.9
67.05508	15.8
69.07073	22.3
69.17721	1.6
69.18121	8.7
71.08634	1.0
79.05494	6.7
81.07066	31.9
83.08621	8.2
91.05495	7.4
93.07053	20.1
95.04996	1.3
95.08616	60.5
97.10165	4.5
105.07039	21.9
107.07877	1.5
107.08602	34.9
109.10160	46.0
111.11723	6.7
117.07047	2.1
119.08586	27.5
121.09323	2.0
121.10155	29.3
123.11723	17.8
131.08578	7.8
133.10147	19.8
135.11696	18.3
137.13255	11.8
143.08565	2.1
145.10130	15.4
147.11694	17.8
149.13272	20.6
151.14857	1.4
157.10144	3.3
158.10934	0.9
159.11703	15.2
160.12158	0.8
161.13275	14.1
163.14833	9.1
171.11734	3.0
173.13287	9.7
175.14839	9.1
177.16394	9.8
179.18045	1.2
185.13319	3.7
187.14841	9.3
189.16399	19.0
191.17941	13.9
199.14859	3.4
201.16400	11.1
203.17970	17.2
205.19524	9.2
213.16408	2.9
215.18010	8.9
217.19531	12.1
219.21191	1.7
227.17964	3.5
229.19560	5.2
231.21104	3.1
241.19594	3.3
243.21130	8.6
245.22690	5.6
255.21097	6.6
257.22610	4.9
259.24313	2.3
269.22656	8.7
271.24228	3.9
283.24219	2.8
297.25760	4.0
311.27365	3.4
323.27374	1.5
337.28824	4.5
338.29486	1.1
351.30505	1.4
365.32092	1.9
407.36758	100.0
408.37076	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
54.72002	1.3
55.05507	9.6
57.07066	5.1
61.39365	1.1
67.05502	15.1
69.07072	22.0
70.78847	2.7
79.05497	8.9
81.07058	47.0
83.08624	7.7
90.46244	1.2
91.05480	4.6
93.07041	17.9
94.46193	1.2
95.08607	61.1
96.08879	1.1
97.10158	6.4
98.43065	1.1
105.07018	15.3
107.08593	23.8
109.10155	33.3
111.11673	2.8
117.07006	1.7
119.08577	19.8
121.10141	23.3
123.10838	1.5
123.11713	17.8
126.37290	1.2
131.08588	6.3
133.10135	16.5
135.11699	14.4
137.12308	1.8
137.13249	19.1
142.07809	1.6
143.08580	4.4
145.10121	10.9
147.11688	15.4
149.13268	12.7
151.14803	3.7
155.08577	1.4
157.10147	5.6
157.94046	1.0
158.10913	1.2
159.11722	13.1
161.13249	10.4
163.14803	4.3
169.10172	1.7
169.70525	1.2
170.10951	1.1
171.11736	3.9
173.13281	9.2
175.14806	6.8
177.16370	11.0
179.17950	2.1
183.11783	1.2
185.13248	5.2
187.14771	5.7
189.16394	7.6
191.17963	8.4
199.14780	5.8
201.16371	8.5
203.17941	16.4
205.19540	3.9
211.14890	1.7
213.16324	5.4
214.98117	1.0
215.18010	13.2
217.19489	7.4
227.17966	2.5
229.19502	20.4
231.20982	2.2
241.19478	7.0
243.21028	3.7
255.21065	9.1
257.22638	20.6
269.22720	7.9
271.24255	2.5
283.24231	4.1
285.25870	1.3
295.24014	2.2
309.25787	2.4
323.27325	1.6
325.28867	2.3
337.28940	2.4
346.79553	1.1
364.31815	1.1
365.32181	1.3
398.83426	1.3
407.36725	100.0
408.37097	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	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.46812	0.9
55.05512	6.9
57.07065	3.4
60.46925	0.7
65.03940	0.7
67.05172	1.4
67.05509	16.4
69.07074	14.5
69.64450	0.6
69.89932	0.7
70.58012	2.2
71.08624	1.5
78.39166	0.6
79.05498	5.6
81.07063	36.1
83.08622	8.3
83.16106	0.7
91.05482	6.5
93.07053	17.2
95.08614	60.8
96.08938	0.9
97.10174	3.8
102.03989	0.8
105.07031	15.5
107.08601	26.1
109.10168	35.5
109.10938	1.7
111.11728	2.3
117.07043	2.4
119.08587	25.0
121.10154	27.2
123.11716	16.0
125.13301	0.9
131.08574	5.4
133.10135	19.9
135.11714	18.3
137.13248	10.6
143.08543	2.2
145.10129	12.1
147.11697	17.9
147.12805	1.3
149.13255	14.4
151.14813	3.1
157.10146	3.6
159.11691	11.0
161.13263	16.7
163.14850	12.8
165.16461	1.1
171.11729	3.0
172.12502	0.9
173.13286	9.4
175.14842	12.6
177.16406	8.4
179.18019	0.9
183.11731	1.0
185.13269	3.3
187.14851	8.4
189.16396	20.8
191.17955	11.4
197.13301	1.5
199.14806	4.0
201.16360	10.3
201.17976	0.8
203.17970	27.4
205.19539	3.3
213.16315	3.6
214.17155	1.2
215.17946	12.6
217.19536	13.6
219.20979	1.8
227.17993	3.1
229.19542	10.5
231.21140	3.6
239.17961	1.1
241.19594	3.1
243.21127	8.1
245.22737	3.7
253.19592	1.1
255.21111	6.7
257.22650	13.5
259.24139	2.0
269.22665	9.4
271.24228	2.1
283.24216	5.3
285.25912	1.0
295.24332	1.3
297.25815	2.6
309.25873	2.1
311.27371	3.4
323.27182	1.1
325.28647	0.9
337.28961	3.5
351.30310	1.4
365.32037	2.0
368.38480	0.8
407.36786	100.0
408.36987	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03932	1.6
55.05509	11.1
55.50792	1.1
56.96570	4.8
57.07063	4.0
61.02908	1.9
65.03944	1.1
67.05505	17.2
69.06733	1.1
69.07069	19.7
69.25861	1.3
69.26250	8.1
71.08609	1.3
73.02913	1.3
77.03893	1.0
79.05484	10.0
81.03416	1.5
81.07053	44.4
83.04965	1.6
83.08621	8.7
85.02885	2.9
91.03978	1.2
91.05470	10.5
92.05775	1.1
93.07050	21.6
95.04910	1.2
95.08603	73.4
97.02885	2.4
97.06525	1.1
97.10178	5.8
98.21512	2.1
98.97585	2.0
105.07030	24.6
107.08588	30.9
109.10152	34.4
110.97562	1.1
111.11715	2.6
115.05430	1.4
117.07027	4.2
119.08579	33.6
121.06491	1.1
121.09322	2.0
121.10140	28.6
123.11708	18.6
127.11186	1.1
129.06984	4.4
131.08582	11.5
133.10120	21.8
135.11697	15.2
137.13258	14.8
142.07744	1.3
143.08543	8.6
144.09290	1.6
145.10123	26.4
147.11681	15.7
149.13261	17.6
151.14793	2.0
153.02187	1.2
155.08516	2.1
157.10123	7.6
159.11685	35.1
161.13237	14.6
163.13440	1.4
163.14810	20.6
165.12581	1.2
169.10085	3.5
170.10883	2.3
171.11687	12.1
173.13266	12.8
175.14813	15.8
177.16368	15.7
179.17900	2.0
183.11713	2.3
185.13272	8.1
187.14824	22.7
189.12717	1.9
189.16374	15.2
191.17928	9.3
197.13197	2.4
199.14867	5.6
201.16393	16.2
203.14328	4.2
203.17944	11.4
205.15910	1.2
205.19496	4.1
209.13232	1.2
213.16385	9.4
215.14487	1.6
215.17961	10.4
217.15933	1.7
217.19518	11.9
219.20908	1.2
225.16476	1.4
227.17934	13.6
229.07507	1.8
229.19460	10.6
231.21051	4.3
239.17906	1.6
241.19478	4.0
243.21057	6.3
245.22575	3.6
251.17775	1.4
255.21123	6.6
257.22592	7.4
267.09039	2.0
269.22620	8.6
270.10886	1.5
271.24130	1.4
279.21234	1.3
283.21347	1.0
283.24130	6.3
285.10208	1.6
296.24231	1.3
297.25836	4.2
311.27341	1.2
313.25418	2.1
313.28723	1.1
337.28830	2.4
351.30508	7.2
353.16327	1.2
365.32117	1.8
368.18130	1.3
389.31934	3.0
407.32776	22.5
407.36710	100.0
408.37143	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	408.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	0.5
51.02389	0.7
53.03946	1.6
55.05521	0.8
57.03442	1.0
58.47068	0.6
69.03438	6.9
69.07085	0.5
70.06595	0.5
70.77579	0.5
70.77917	1.0
71.04998	2.1
73.02934	1.4
78.03462	14.2
78.03914	0.7
79.05502	0.6
80.05023	2.3
81.03431	14.9
81.07037	0.8
83.04984	0.5
84.50688	0.5
85.02916	8.9
87.04459	0.5
91.05514	0.7
93.07042	1.1
95.04974	1.1
95.08622	1.0
96.04501	2.3
97.02900	3.9
98.97630	1.4
99.04456	2.9
99.08103	3.3
105.07048	1.2
106.02930	48.0
107.08627	1.1
109.02892	45.8
109.06486	0.6
109.10176	1.3
110.03257	0.5
111.04446	1.1
119.05974	0.6
119.08592	1.5
121.10170	1.1
123.04456	0.5
123.11718	0.7
124.03967	100.0
127.03935	7.4
131.08597	0.5
133.10143	2.5
135.11732	1.4
137.06020	0.5
137.09602	0.9
139.03893	0.6
139.11195	0.5
141.05481	15.2
145.04967	1.2
149.13329	0.6
158.99712	0.5
166.05107	1.5
175.14839	1.7
193.15910	1.9
196.06180	0.6
196.65567	0.5
207.10077	0.5
211.13486	0.7
211.16988	4.7
223.09016	0.7
226.07118	1.3
229.17934	0.5
232.06058	1.6
250.04460	0.9
250.05013	0.5
250.07121	26.5
268.08191	45.5
269.08612	1.0
294.09683	0.6
298.09201	0.7
314.53394	0.5
315.92255	0.5
316.09793	0.5
327.16507	1.0
340.09927	0.9
363.08746	0.7
390.13818	1.9
408.12976	17.1
408.18857	1.5
408.69006	0.7
409.09219	0.9
409.18427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
53.64024	0.5
55.01874	1.1
55.05562	0.5
56.96572	1.1
57.03445	1.4
61.02941	0.6
63.48018	0.7
69.03432	5.0
69.64362	0.5
70.02307	2.5
70.06598	1.3
71.05018	0.9
72.08197	0.6
73.02932	1.1
74.06106	0.7
79.01875	2.0
79.05513	1.3
81.03426	9.7
81.07070	0.8
84.96069	0.6
85.02905	9.3
86.09721	1.0
90.63423	0.6
91.05477	0.8
93.07040	0.6
95.04984	0.7
96.08139	1.6
97.02894	6.9
97.03436	0.6
98.21365	0.6
98.97585	1.2
99.04460	1.8
102.04184	0.7
105.07053	1.0
106.04184	0.6
107.01337	1.2
107.04981	0.6
109.02887	6.2
110.06053	0.7
112.07631	1.8
115.05515	0.5
116.07111	0.9
117.06929	0.5
121.06540	2.2
123.04448	3.4
123.08104	0.7
124.05269	0.7
124.07596	9.5
125.02407	2.8
127.03928	9.7
133.06502	1.0
140.07076	1.2
143.03416	3.5
144.06587	0.6
145.04970	1.4
149.05980	2.2
151.07545	0.7
153.01840	100.0
153.02791	3.7
154.02174	1.0
160.07582	0.9
161.05911	0.7
162.07635	0.7
167.07048	92.3
168.07391	0.9
171.02908	12.7
181.08591	2.0
182.06293	0.7
193.08572	3.9
211.09651	13.3
218.02742	1.6
219.01802	0.6
228.06812	0.8
228.12292	1.2
228.87003	0.6
229.07243	0.7
229.10745	12.3
234.01608	0.6
244.05740	0.7
246.02153	2.1
246.08105	3.8
257.04425	0.6
287.05597	1.3
297.06003	9.9
315.07111	23.9
408.12085	2.4
409.09311	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	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14407	0.3
53.03938	0.4
55.01853	0.7
56.96572	0.4
57.03421	0.4
61.02923	0.6
63.29466	0.3
65.03934	0.3
67.05496	0.5
69.03420	1.3
69.36889	1.3
69.37293	0.9
70.06567	0.9
74.06081	0.5
75.69414	0.3
77.15855	0.3
79.05483	0.5
81.03423	0.8
81.07063	0.3
84.96023	0.3
85.02909	5.2
86.09728	0.4
91.05480	1.1
93.07048	0.8
95.04979	0.4
95.08617	0.5
97.02905	1.9
97.06462	0.3
98.97569	1.3
99.04462	0.4
105.07010	0.7
106.04189	0.4
107.04942	1.4
107.08572	0.4
108.35731	0.3
109.02880	1.1
109.35881	0.3
112.07613	0.7
116.07094	0.5
116.98625	0.5
119.04956	0.5
121.02905	0.4
121.06517	1.4
121.10149	0.4
123.04431	2.1
123.08054	0.5
124.05208	0.8
124.07558	0.6
127.03903	1.2
131.08537	0.5
133.06487	1.1
137.05980	0.9
137.09636	0.4
140.07092	0.8
145.04964	1.0
149.05984	2.5
151.03893	0.7
152.04706	1.5
153.01819	0.8
160.07481	0.4
161.05995	0.9
166.06282	0.5
167.07047	100.0
168.07350	0.8
175.14838	0.4
179.06956	0.4
181.08603	2.7
193.08597	3.9
193.15909	0.4
211.09663	15.1
218.02681	0.5
229.10710	13.9
234.99031	0.4
246.02032	0.3
246.07677	0.6
246.11313	0.6
261.10275	0.6
390.12738	0.4
408.12387	1.0
409.16147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49100	0.3
58.73621	0.3
62.74216	0.3
62.79527	0.3
69.03436	1.1
70.06577	0.3
70.76936	0.7
71.05004	0.4
73.02902	0.3
75.06131	0.3
78.04727	0.7
79.05501	0.5
81.03414	0.8
81.07058	0.4
85.02915	3.4
91.05479	0.6
93.07042	0.9
97.02916	1.0
98.97610	0.8
103.05476	0.6
105.07034	0.6
106.04143	0.4
107.04963	1.3
109.02911	0.6
112.07594	0.3
121.06506	1.3
123.04417	1.6
124.05230	0.6
127.03967	0.4
130.99162	0.3
133.06502	0.4
137.05988	0.7
149.06023	2.1
151.03780	0.3
152.04704	0.7
160.07629	0.6
161.06004	0.6
166.06386	0.4
167.07057	100.0
168.07379	0.6
169.46155	0.3
179.06999	0.7
181.08618	3.2
193.08636	4.3
205.08658	0.4
207.10181	0.4
209.07845	0.4
211.09673	15.8
218.02771	0.5
229.10730	14.6
239.09360	0.4
241.10718	0.5
253.10605	0.4
303.20010	0.3
370.12796	0.3
408.19919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01659	2.0
53.03928	2.6
55.05500	7.5
63.21985	2.1
67.05500	5.4
69.03416	6.1
69.07072	4.1
69.24754	19.1
69.25166	3.8
71.04996	4.0
79.05502	3.7
81.03426	3.4
81.07052	8.6
83.04977	5.6
85.02901	15.9
85.06555	12.8
91.05473	7.4
92.20816	2.2
93.07047	15.0
95.00571	2.1
95.04973	16.0
95.08620	16.2
97.02895	3.3
98.20788	4.2
99.04460	2.6
99.08100	100.0
105.07014	10.1
106.02879	3.0
107.08601	14.4
109.02859	7.3
109.06490	3.1
109.10165	17.7
111.08034	2.4
119.08611	18.7
121.10140	8.1
123.08057	3.9
123.11719	9.4
124.03965	8.6
125.09619	6.4
127.03893	9.7
133.10132	77.0
135.11681	26.5
137.09634	17.8
145.04967	5.3
149.13269	5.9
155.10620	5.4
157.04858	2.4
161.93800	2.8
175.14838	36.7
177.16429	3.7
193.15895	75.2
193.17664	4.7
207.10120	2.9
211.13519	4.9
211.16948	90.9
229.18034	5.9
250.07149	3.7
268.08203	3.1
298.09067	3.3
373.22128	2.6
409.13626	3.2
409.18295	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70282	1.8
55.05501	5.1
56.32807	1.8
61.02903	2.0
62.90271	1.6
67.05499	2.4
69.03426	2.1
69.07062	23.4
69.54392	13.9
75.00014	1.7
76.39603	2.0
78.01759	1.8
79.05482	4.3
81.07048	11.5
83.08632	2.3
84.04498	3.4
85.02905	10.9
91.05483	6.4
93.07040	25.9
95.04977	2.0
95.08598	15.5
97.02877	2.3
99.08080	18.7
105.07014	12.2
107.08599	50.3
109.02862	2.0
109.10120	5.6
113.09632	2.1
119.08591	36.8
121.10139	40.5
123.11723	12.4
124.07621	2.5
127.03930	2.0
130.04973	2.5
133.10132	68.6
135.11702	19.7
137.09624	3.2
145.04965	2.4
146.00702	2.1
147.11665	1.9
149.13255	98.5
151.11133	3.6
159.06516	2.1
162.02219	3.2
167.14319	5.8
175.14824	100.0
175.66977	2.0
185.30215	1.8
193.15884	52.5
211.16927	91.2
259.52798	1.8
261.10608	10.4
373.22256	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99141	1.3
55.05502	3.7
67.05502	5.5
69.03423	1.9
69.07077	9.2
71.04984	5.7
79.05478	3.5
81.03439	1.8
81.07064	9.4
83.04983	1.7
83.08616	5.7
84.04515	1.9
85.02908	5.9
85.06538	2.5
91.05471	2.6
93.07053	7.9
94.19622	1.3
95.04948	1.8
95.08614	20.5
97.02875	1.7
97.06553	10.1
99.04443	3.5
99.08096	2.2
105.07018	5.5
107.08600	12.8
109.02892	1.4
109.06510	4.1
109.10168	19.8
111.11734	2.3
115.07568	5.7
119.08604	12.6
121.10145	7.4
123.04409	1.5
123.08053	4.6
123.10919	1.2
123.11690	7.0
125.09627	2.4
127.11238	1.5
133.10149	20.7
135.11714	20.7
137.09599	5.3
147.11687	2.5
149.13307	11.6
153.12689	1.8
163.14844	3.2
167.07002	1.6
167.14346	12.7
175.14825	42.4
177.16336	2.2
179.03592	1.2
193.15892	51.7
199.63744	1.5
204.11024	1.4
211.16953	100.0
212.17436	1.7
229.17995	8.1
263.83087	1.2
285.48611	1.3
373.22180	1.4
409.18243	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05509	2.8
56.96566	0.9
57.03434	1.5
63.62992	1.0
67.05502	4.8
69.03416	3.5
69.07069	11.8
70.06599	1.7
71.04990	15.2
71.54372	1.4
72.17490	0.9
73.02910	1.3
79.05483	3.0
81.03405	2.4
81.07051	7.3
83.08595	4.6
85.02899	5.8
85.06534	4.1
91.05482	4.4
91.24722	1.1
92.05824	1.4
93.07046	5.8
95.04980	1.7
95.08602	14.0
97.02889	2.3
97.06527	2.5
98.97585	2.5
99.04459	42.4
99.08080	1.5
105.06998	5.1
107.04948	1.6
107.08591	8.1
109.02895	1.3
109.06504	2.0
109.10165	17.8
111.11686	2.4
113.09632	4.1
115.07558	2.6
119.04922	2.2
119.08595	6.6
121.10153	4.1
123.08075	2.8
123.11705	4.3
125.09619	3.6
127.03907	1.6
127.11198	2.2
129.81789	1.0
131.08522	1.0
133.10121	8.4
135.11694	23.2
137.05981	5.3
137.09636	1.9
138.06291	3.1
139.11182	2.0
140.62543	1.0
141.09138	1.2
141.12752	3.4
143.08685	1.2
146.06013	1.3
147.04468	1.2
147.11681	2.8
149.13257	3.0
151.07568	1.5
151.11130	1.3
151.14818	3.0
152.07919	2.0
153.12761	3.4
159.06438	1.0
161.05983	1.8
167.07007	3.1
175.14832	17.7
177.16277	1.2
181.08553	1.9
182.08966	1.8
185.04227	2.1
193.15883	21.0
203.03584	0.9
208.10817	1.0
211.13571	2.5
211.16933	100.0
221.45360	1.1
246.17921	1.4
247.09439	1.6
257.04504	5.7
344.83200	1.0
358.73120	1.1
376.16437	1.2
409.09457	1.8
409.14209	8.8
409.18893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99886	0.7
55.05513	3.0
57.03433	0.8
57.07071	0.8
59.04990	1.4
67.05502	5.4
69.03419	2.1
69.07069	11.7
71.04980	5.9
71.08232	1.6
75.76389	0.8
79.05490	3.4
81.03412	0.9
81.07063	10.1
83.04979	1.3
83.08646	5.6
85.02907	6.2
85.06544	3.4
91.05468	2.1
93.07047	10.2
95.04984	0.8
95.08611	16.4
97.02898	2.1
97.06535	10.6
98.97609	1.3
99.04443	3.9
99.08102	1.1
105.07041	5.0
107.08604	14.6
109.06528	6.3
109.10160	21.5
111.08095	2.3
111.11716	1.9
115.07571	5.9
119.08584	12.6
121.10133	6.7
123.08102	3.9
123.11705	16.1
125.09634	2.7
127.03917	1.3
127.07582	0.8
127.11180	2.3
133.10138	31.3
135.11688	25.2
137.09604	5.0
139.03897	1.3
139.11183	0.9
141.09126	1.0
141.12668	1.3
147.11687	3.7
147.36014	0.7
149.13246	12.2
153.12758	3.5
155.10652	1.7
165.12714	1.6
175.14819	43.9
177.16310	3.8
193.15886	43.3
211.16933	100.0
229.14337	4.8
284.10968	1.1
288.61356	0.9
348.67633	0.8
379.10843	0.8
390.81528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.4
56.02676	2.0
57.07069	6.5
59.05002	2.7
62.06997	2.3
67.05511	5.0
68.41547	2.1
69.07068	6.6
71.03062	6.0
71.08626	6.5
81.07056	7.3
85.10203	5.1
86.95745	2.1
89.06045	73.9
93.07039	5.7
93.92427	2.6
95.08626	15.3
96.08945	4.9
105.07012	3.9
107.07059	6.4
107.08617	8.1
109.10159	8.3
110.10434	2.7
110.92969	2.8
115.83508	2.8
119.05064	2.3
119.08591	6.5
120.08958	3.2
121.10160	3.5
123.11746	4.5
133.08617	32.9
133.10133	5.1
135.11705	3.6
136.11977	2.8
141.91211	2.4
145.10109	5.1
147.11700	4.2
149.13214	4.3
150.13551	4.2
151.09645	3.4
157.10074	2.3
159.11702	3.2
161.13242	3.7
177.11234	8.9
191.18011	3.1
192.18294	3.4
195.12303	100.0
199.14740	3.2
218.19809	2.6
257.01303	2.4
300.97565	2.6
309.58221	2.5
325.64804	2.7
408.37390	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	409.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10473	2.0
55.01865	4.1
56.96557	4.6
57.03431	4.1
58.99853	2.7
61.02915	8.6
62.74825	2.0
69.03435	19.3
69.54454	14.5
69.95744	1.7
70.06599	4.3
70.32502	2.0
71.04985	4.1
73.02915	6.9
80.15018	1.8
81.03407	8.7
81.07066	2.3
82.99876	7.5
85.02908	44.8
86.03230	2.7
86.09685	2.9
86.99315	3.1
87.04472	2.4
91.03921	2.8
95.04957	3.0
95.08610	2.5
97.01421	3.1
97.02887	22.6
98.21482	4.0
98.97595	10.2
99.04482	5.3
101.00275	3.6
101.00893	48.9
103.00694	2.1
103.02451	4.1
105.00292	2.9
109.02877	5.9
110.30207	2.4
111.04469	2.8
112.07642	3.8
113.00871	15.8
114.05518	3.0
115.02444	11.7
119.01935	61.3
120.02014	2.6
121.01694	6.5
121.02827	2.9
123.04438	12.8
124.68093	2.2
127.02441	14.9
127.03925	16.0
128.04256	2.3
128.98628	2.8
129.04007	4.9
131.01913	45.4
133.01680	3.3
133.03490	31.7
136.07581	2.7
137.02959	4.7
137.05959	5.1
139.02425	4.3
139.03902	21.2
141.03981	3.7
143.01906	100.0
143.03041	5.1
144.02014	2.3
145.01694	3.4
145.03456	42.5
145.04950	9.6
146.03586	2.4
146.99564	2.5
147.01399	4.4
147.03178	5.1
147.05092	6.8
149.02968	6.8
153.01787	9.1
154.29828	2.2
155.01897	53.7
157.01683	3.6
157.03497	22.3
158.99699	3.3
159.01369	5.3
159.05034	9.0
161.02971	88.5
163.02650	3.7
163.04547	2.6
165.06010	1.9
166.07278	20.4
167.01868	6.0
167.07060	5.5
168.07449	2.3
168.99811	18.6
169.03505	20.1
169.04889	3.4
171.01370	21.0
171.02843	3.1
171.03575	2.1
171.05017	10.6
173.02968	68.5
173.06583	3.2
174.01878	2.2
174.03311	2.4
175.02667	4.9
175.04463	8.5
177.00740	5.4
177.02356	4.0
177.06219	2.3
181.03389	4.3
183.01425	7.3
183.04996	8.1
184.04572	4.1
185.02950	28.6
185.06578	5.1
187.00899	13.5
187.04538	22.4
188.97017	2.6
189.02466	28.5
189.06044	7.8
191.02156	3.5
191.03975	10.0
193.00052	3.9
193.03545	4.9
195.01244	3.4
195.05061	4.4
196.99310	5.6
197.02921	13.0
199.00861	18.9
199.04485	6.4
201.02516	19.1
201.04332	3.3
201.06088	15.7
201.07860	4.1
203.03947	27.1
203.05525	3.7
203.07625	3.8
204.04041	4.1
205.02014	2.4
205.03783	5.1
205.05611	5.6
207.01646	4.2
207.03539	8.4
211.00876	4.2
211.04562	10.2
213.00771	2.4
213.02403	12.9
213.06047	5.2
213.07851	2.4
215.00386	16.8
215.04048	9.4
217.01978	28.1
217.05458	2.7
219.01683	3.9
219.03506	11.1
219.05328	3.0
221.05043	25.8
223.04721	6.1
225.05952	3.4
227.04016	7.6
229.01949	9.9
229.05518	5.6
231.03531	39.8
231.07143	2.9
233.01335	2.4
233.05011	4.4
235.06664	3.4
237.02776	3.1
237.55995	3.0
239.03984	3.6
239.06142	4.0
241.01945	3.3
241.05621	2.9
243.03488	7.1
243.07378	3.3
245.05058	46.2
246.05225	3.0
247.02774	13.0
247.06725	4.1
249.04541	6.1
257.01407	6.8
257.04874	8.4
259.02924	21.9
259.06662	5.0
261.04688	5.9
261.08078	5.4
263.06122	13.1
271.02930	7.3
271.06546	9.6
273.04718	3.0
275.02567	11.6
275.06073	3.8
277.03635	7.7
277.07706	3.0
279.09146	6.7
283.06381	3.0
285.00861	3.6
287.02518	2.6
287.05606	5.6
287.57010	2.2
289.04062	82.4
289.07254	5.1
291.09039	21.2
301.04056	37.6
301.07294	2.5
303.01477	4.9
303.05960	2.1
303.08694	10.4
305.07135	14.4
307.05112	61.9
309.10333	6.0
317.03912	11.5
317.06979	3.3
319.05231	24.2
319.08609	3.9
321.06741	3.5
321.10349	1.9
321.12277	2.5
329.07162	3.5
330.06409	3.2
333.06726	12.4
337.06198	3.0
347.08124	5.2
349.05963	10.2
349.10040	3.9
361.06085	2.3
365.13031	2.2
373.05942	5.2
373.10126	3.2
377.05603	4.6
391.07190	7.2
391.11209	6.4
405.96567	2.9
409.09662	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
56.96553	1.0
59.53557	0.8
67.05491	1.5
69.03436	1.5
69.07052	1.6
70.88206	0.7
71.04959	1.5
79.05470	1.3
81.03394	0.7
81.07044	1.5
83.04941	1.0
83.08580	0.7
85.02869	2.1
91.05464	1.1
93.07008	1.4
95.04910	1.2
95.08552	2.5
97.02876	1.4
98.97547	0.8
99.04413	2.0
105.07001	1.8
107.08521	1.9
109.10082	2.7
119.04881	1.1
119.08507	2.1
123.04374	2.1
127.12128	0.9
131.08568	1.2
133.10106	1.7
135.08002	0.8
135.11642	1.2
137.05914	1.1
145.10152	1.2
147.04333	1.3
157.10075	1.0
161.09766	0.8
167.07059	3.8
175.14780	1.1
176.15074	1.3
185.04239	30.3
188.95891	0.9
194.16132	1.2
203.03304	1.1
211.16867	1.9
212.17130	3.1
213.05382	0.7
223.85252	0.7
229.04813	3.4
245.04526	4.5
247.09447	44.3
257.04468	27.0
258.05048	0.9
287.05377	1.8
363.07581	1.2
409.09024	12.8
409.14267	100.0
409.18109	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	409.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50853	0.7
69.51261	2.5
116.01643	0.5
118.06542	0.5
118.46033	0.4
122.11387	0.4
123.04427	1.0
129.11443	0.4
157.14250	0.5
158.48561	0.4
159.60452	0.4
168.41937	0.4
197.07167	0.6
199.08681	1.3
200.09398	0.8
211.08701	2.6
212.09479	0.9
213.10281	2.4
215.11792	1.4
217.09769	1.7
223.12344	0.7
224.09465	0.7
225.06664	0.7
225.10216	4.0
226.10910	0.4
227.08243	0.8
227.11752	0.6
229.09770	1.8
230.10533	0.6
239.08171	5.4
239.11783	4.2
240.08965	2.4
241.09727	4.5
242.10594	0.7
243.07738	0.8
243.08899	0.5
243.11310	5.0
245.04785	0.5
249.10373	0.5
251.11983	0.8
252.08981	0.5
253.05984	0.5
253.07271	0.6
253.09756	6.4
254.10396	0.5
257.04578	0.7
257.09207	1.8
257.12936	1.5
258.10071	1.0
259.10867	2.2
267.07870	2.2
267.11331	4.0
268.08456	5.0
269.08868	0.8
269.12952	0.9
271.10800	23.3
272.11530	0.5
273.12393	1.6
275.10269	1.7
277.11908	3.2
281.09198	1.3
282.10062	0.5
285.08762	1.8
285.12399	4.3
287.05478	1.2
289.11783	1.8
295.10760	3.7
297.12317	0.6
300.11005	1.6
303.09894	0.7
303.13312	0.7
313.11844	6.1
317.11383	1.7
318.12048	0.5
323.10242	7.5
327.13330	1.3
331.12936	1.1
335.12408	2.3
341.11368	13.8
345.14484	2.3
349.14111	0.5
355.12967	4.0
359.12393	1.8
373.14023	12.3
391.15036	18.2
409.16095	100.0
410.16223	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02575	0.3
54.65683	0.3
64.95810	0.3
68.61934	0.3
69.03432	0.6
69.72899	1.8
77.71668	0.3
78.59266	0.3
81.07063	0.8
93.07054	0.5
95.08596	0.6
98.97571	0.5
99.08089	0.4
105.07072	0.7
107.08577	0.4
119.08574	0.4
125.09634	1.5
133.10149	0.9
153.01849	0.7
167.07011	0.9
178.25482	0.3
189.08867	0.4
194.16197	0.4
211.16957	0.7
229.12079	1.0
229.17995	0.4
247.13115	1.1
275.41461	0.3
285.09482	0.7
399.22186	0.3
409.18356	100.0
410.18719	1.5
427.16162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.5
69.03417	0.9
69.76025	0.4
70.31696	1.6
81.07034	0.6
85.06547	0.7
93.07043	0.8
95.08639	1.0
98.97567	0.5
99.08101	1.5
107.08591	0.6
109.10152	1.1
110.97610	0.5
119.08608	0.5
120.26569	0.5
121.10171	0.9
125.09621	1.4
128.01662	0.4
133.10117	0.7
175.58661	0.5
193.15903	0.8
194.60931	0.5
201.03650	0.5
203.05286	22.6
211.16888	0.8
215.09439	0.7
219.38115	0.5
228.04930	0.5
229.12062	1.4
229.18094	0.6
231.13525	0.5
334.27444	0.5
409.18347	100.0
410.18738	1.5
427.16583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92893	0.3
70.29893	0.3
71.29769	0.5
79.05478	0.4
81.07046	0.5
94.56105	0.3
95.08604	0.4
98.97594	0.5
104.70723	0.3
105.07032	0.4
119.08613	0.7
125.09589	0.4
149.09613	0.4
158.99696	0.4
165.29692	0.4
167.07085	0.5
187.05107	0.9
201.06807	0.4
203.05267	2.5
215.59517	0.5
229.12018	2.0
239.08145	0.9
243.07681	1.0
257.09271	0.9
261.08606	0.4
265.92099	0.4
267.07736	0.4
271.07184	0.5
278.06924	0.4
285.08698	2.7
289.08118	1.8
295.07437	0.5
297.08514	0.5
303.09735	0.9
307.09103	0.5
313.08203	3.2
315.09866	1.2
331.09213	4.6
333.10965	0.9
339.52148	0.4
349.10309	3.1
359.08774	0.5
367.11478	0.8
377.09793	2.2
391.11615	1.6
408.68839	0.6
409.18338	100.0
410.18610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	3.8
62.66029	2.0
67.05497	5.9
69.03429	2.4
69.07081	3.0
69.62533	9.0
71.05000	3.0
81.07059	6.3
83.08611	3.6
85.02911	6.0
85.06541	2.6
93.07053	8.1
95.04975	37.1
95.08623	11.1
97.02903	3.3
97.06526	1.6
98.21476	3.8
99.04462	2.4
99.08101	38.1
107.08599	9.7
109.10165	18.2
111.80520	1.7
119.08578	5.2
121.10136	4.4
127.03915	2.9
130.90666	1.7
133.10121	8.4
135.11702	14.9
137.09613	23.3
153.12750	2.4
155.10667	19.8
161.05914	1.8
175.14870	6.3
179.99657	1.7
193.15886	17.2
211.16942	100.0
229.17952	19.1
265.11050	2.3
335.48828	2.2
391.15231	1.8
401.92056	1.9
409.10919	4.2
409.16019	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01867	2.9
55.05517	18.7
57.07063	6.1
58.04290	1.6
58.67650	1.5
59.04986	3.0
65.03936	1.5
67.05509	24.6
69.03425	7.6
69.07067	12.3
71.39655	2.6
75.44205	1.5
77.24285	1.6
79.05490	26.7
80.15111	1.6
81.03412	3.0
81.07057	37.3
81.72305	1.4
83.04961	5.5
83.08598	5.0
85.06536	3.2
91.05478	34.9
93.06471	3.3
93.07043	48.1
94.07360	1.9
95.04971	47.0
95.08608	41.4
97.06521	6.8
97.10162	2.2
99.08054	1.8
105.07030	100.0
107.04923	1.6
107.08591	34.1
109.06508	8.7
109.10162	20.1
111.08089	3.3
115.05467	4.1
117.07013	15.2
119.04932	3.1
119.08579	69.4
121.06527	15.0
121.10140	24.2
122.14835	1.5
123.08098	14.9
123.11684	6.7
123.12566	1.8
125.05968	1.6
128.06212	5.3
129.07002	7.3
130.07764	5.6
131.08560	22.2
132.09428	2.1
133.06471	4.8
133.10132	23.3
135.08022	12.7
135.11696	8.8
137.09596	8.6
137.13240	2.7
141.06989	3.2
142.07764	12.3
143.08582	18.3
144.09265	3.0
145.10117	36.0
147.08028	11.8
147.11693	55.5
149.09637	11.3
149.13271	9.5
151.07544	14.9
153.09114	3.7
155.08475	5.0
156.09323	5.8
157.10110	20.7
158.10962	1.9
159.08075	6.3
159.11717	17.8
161.09615	6.9
161.13266	6.5
163.11171	4.9
163.14804	7.2
165.09113	22.0
167.08543	4.8
168.09325	4.6
169.10191	11.1
169.19991	1.6
171.11642	10.1
172.12544	1.8
173.09676	4.8
173.13266	11.7
175.11188	31.6
175.14815	6.0
177.09128	3.1
177.16377	3.6
179.08493	2.0
179.14265	1.6
181.10153	3.3
181.12373	2.8
182.10921	2.2
183.11714	9.2
185.13252	6.6
187.11142	3.6
187.14828	9.7
189.12671	5.2
189.16368	6.8
191.14297	3.4
191.17931	3.3
193.10152	1.7
195.11699	5.7
196.12488	2.3
197.13237	6.0
199.11177	3.8
199.14847	5.8
201.12659	8.6
201.16403	7.0
203.14351	12.0
203.17973	3.0
205.15843	2.8
207.11852	2.3
207.13818	6.9
209.13261	4.4
209.15268	2.5
211.11168	2.9
211.14836	6.9
213.12801	2.8
213.16418	5.1
215.14264	3.3
215.18027	4.7
217.19469	2.5
219.13773	5.3
219.17181	1.9
221.13441	2.2
221.15366	57.3
223.14897	2.5
225.16370	2.7
227.17947	2.2
229.15875	4.0
229.19618	2.5
231.13850	3.7
233.15353	4.4
234.16130	17.2
235.14886	2.6
239.17862	2.6
241.19409	2.9
245.06812	1.8
251.14177	2.0
251.17877	1.7
255.21069	4.2
257.04520	2.6
269.22827	2.3
279.17303	1.9
287.20053	3.9
300.20740	4.5
329.21201	5.5
391.25790	3.3
391.33499	6.4
392.31802	2.4
409.18396	1.7
409.27277	43.3
409.34579	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14228	1.5
53.03951	3.1
55.05514	18.0
57.07078	7.4
59.04993	3.5
65.03951	2.3
66.27792	1.4
67.05183	1.5
67.05512	23.2
69.03423	5.5
69.07075	12.1
71.04990	3.6
78.12123	1.6
79.05498	23.6
81.07059	43.8
83.04990	4.6
83.08635	3.3
85.06530	4.0
88.59116	1.6
90.56866	1.4
91.05487	31.9
93.07045	49.9
95.04975	43.3
95.08613	39.5
97.06522	7.3
103.05502	3.5
105.04549	1.7
105.07036	100.0
107.04983	2.3
107.08592	35.8
109.06536	11.7
109.10155	16.3
111.08078	2.6
115.05430	3.5
117.07014	13.0
118.62950	1.5
119.08588	65.9
121.06523	14.0
121.10149	23.3
123.08054	14.0
123.11710	6.4
128.06213	4.1
129.06990	5.9
130.07777	4.6
131.08574	20.6
133.06493	3.8
133.10138	25.5
135.08081	9.7
135.11729	11.7
137.06010	1.5
137.09622	7.7
137.13281	2.4
139.07439	1.5
141.06958	3.0
142.07762	11.1
143.08585	15.4
144.09261	2.9
145.06519	2.6
145.10135	36.5
146.10884	2.2
147.08058	14.8
147.11694	44.1
149.09645	12.5
149.13287	12.4
151.07567	16.8
153.09064	3.0
155.08546	7.6
156.09319	4.3
157.10146	19.2
158.10841	2.5
159.08063	5.4
159.11732	15.6
160.08784	1.9
161.09641	7.0
161.13301	8.0
163.11185	4.3
163.14832	9.2
165.09114	24.0
167.08562	2.0
168.09377	2.4
169.10129	8.4
170.10912	3.7
171.11687	10.9
172.95241	2.7
173.09639	4.4
173.13277	11.5
174.10330	1.7
175.11206	29.3
175.14841	6.9
177.09111	4.4
177.16353	2.4
178.09885	2.4
181.10085	3.8
183.11726	12.8
185.13196	7.7
187.11217	3.4
187.14795	9.7
189.12790	5.1
189.16434	3.7
191.17844	2.4
193.10181	4.2
195.11703	5.7
196.12512	2.6
197.13304	5.8
199.11198	2.6
199.14864	3.6
201.12750	9.1
201.16460	7.5
203.14346	10.9
203.17853	1.8
205.10115	1.6
205.15904	3.0
207.11911	2.0
207.13806	6.4
209.13390	3.5
209.15189	3.3
211.11356	1.9
211.14845	5.3
213.12801	2.0
213.16399	3.9
215.14458	2.5
215.18015	3.8
216.15160	2.5
219.13824	5.5
219.17470	2.4
221.15384	59.5
223.14717	1.8
225.16403	2.5
227.17989	1.8
229.15842	3.5
229.19582	3.3
231.13834	1.9
233.15442	3.1
234.16110	18.1
235.92128	1.7
237.16429	2.6
239.18004	2.4
241.19566	2.9
243.21065	2.6
251.17931	1.9
253.15785	2.7
253.19617	2.2
255.21089	4.3
257.22635	2.3
269.19104	2.1
269.22556	3.9
281.18637	1.8
285.22226	1.7
287.20209	7.7
300.20770	5.1
329.21042	5.4
391.26065	3.8
391.33307	6.2
392.31628	1.9
409.18689	2.8
409.27277	37.8
409.34616	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57359	1.7
51.31363	1.5
53.03954	3.8
55.05515	16.2
57.03442	2.3
57.07067	6.1
59.04985	5.0
62.66197	1.6
65.03930	3.0
67.05177	1.8
67.05508	22.8
69.03426	5.9
69.07070	17.9
69.87589	7.9
78.97516	1.9
79.05495	23.7
81.07060	47.9
83.04967	5.1
83.08624	9.2
85.06552	3.9
87.85535	1.8
91.05479	32.4
93.06478	3.2
93.07050	56.6
94.07410	1.5
95.04974	32.8
95.08611	60.2
97.06532	7.6
97.10154	4.2
105.07038	83.7
107.08600	46.2
109.06533	11.6
109.10159	30.3
111.08096	2.1
115.05427	2.9
117.07013	13.6
119.08584	64.7
121.06505	12.7
121.10152	33.0
121.36008	1.5
123.08069	16.1
123.11697	7.6
128.06216	5.7
129.07027	8.3
130.07748	4.0
131.08569	23.5
133.06497	4.2
133.10144	31.8
135.08052	10.6
135.11690	15.4
137.09602	6.2
137.13235	4.9
139.11122	1.7
141.06995	3.0
142.07809	11.5
143.08553	20.8
144.09351	4.2
145.10130	44.3
147.08063	11.1
147.10539	1.9
147.11690	37.8
149.09604	6.4
149.13258	16.8
151.07565	13.2
155.08562	8.5
156.09329	6.6
157.10139	25.2
159.08012	5.1
159.11703	28.0
160.08868	1.8
161.09625	7.7
161.13283	13.0
163.11148	4.8
163.14806	21.2
165.09123	19.8
168.09334	3.7
169.10164	9.0
171.11702	14.3
173.09650	3.2
173.13315	14.7
175.11203	16.0
175.14824	20.9
177.09225	2.4
177.16428	16.0
179.14311	1.8
181.10115	4.5
182.10924	3.5
183.11749	11.3
184.12393	1.7
185.09677	1.9
185.13252	10.0
187.11220	5.2
187.14835	20.9
189.12729	6.4
189.16374	16.0
191.14267	3.1
191.17914	4.7
195.11758	3.8
197.13271	4.6
199.11102	2.6
199.14792	6.5
200.15623	1.9
201.12701	5.9
201.16391	16.5
203.14360	9.2
203.17950	5.8
205.15868	2.3
207.11903	2.7
207.13853	4.2
209.13377	3.5
209.15224	2.3
211.14851	7.2
213.12729	2.4
213.16360	7.8
215.14340	2.5
215.17966	12.9
217.15932	1.8
217.19499	4.8
219.13768	2.4
219.17461	2.9
221.15370	40.2
223.14821	3.4
225.16362	5.2
227.18018	8.0
229.15855	4.3
229.19521	9.8
231.21123	1.9
233.15375	3.3
233.18993	2.0
234.16144	6.2
239.17941	3.0
241.19551	8.4
243.21075	3.9
249.16164	2.1
253.15839	2.7
253.19443	5.8
255.21112	14.9
257.04462	2.4
257.22614	3.5
259.20535	2.7
267.21088	3.2
269.22617	9.1
285.22009	4.0
286.19229	2.7
287.20020	5.5
295.24289	1.8
300.20981	3.1
329.21066	2.8
349.30069	1.5
391.26379	3.6
391.33597	18.0
409.19333	2.1
409.27255	39.7
409.34546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05509	4.5
57.07068	1.8
66.46871	0.7
67.05181	0.7
67.05512	9.1
69.07069	10.0
71.08615	1.1
79.05504	3.9
81.07061	20.4
83.04984	0.6
83.08631	3.0
85.06491	0.6
91.05485	5.1
93.07053	15.1
95.04994	0.7
95.08614	29.4
97.10173	2.6
105.07043	10.2
107.07871	1.3
107.08602	24.1
109.09460	1.2
109.10165	16.1
111.11784	0.7
117.07008	1.6
119.08591	13.7
121.06548	1.3
121.10159	16.4
123.11710	6.3
129.07008	1.4
131.08583	9.9
133.10143	10.4
135.08084	1.0
135.11708	10.9
137.09628	1.0
137.13275	7.1
141.06993	0.7
143.08565	3.8
145.10127	10.1
147.11696	10.5
149.13258	11.8
151.14818	0.9
156.09435	0.8
157.10135	4.5
159.11713	8.3
161.13266	6.5
163.14828	20.4
165.12767	0.8
169.10158	2.0
171.11664	3.3
173.13274	6.0
174.14034	0.7
175.14848	7.0
177.16415	11.7
179.14330	2.3
183.11751	1.8
185.13268	3.6
187.14836	12.8
189.12852	1.2
189.16431	11.1
191.14297	2.1
191.17967	5.1
193.15993	0.8
197.13297	1.3
199.14922	3.2
201.16409	12.0
202.16988	0.6
203.14372	3.7
203.17992	6.5
205.15840	3.7
207.17436	2.2
211.14848	1.2
213.16415	5.3
215.17966	7.2
217.15919	1.7
217.19531	3.2
219.17506	1.3
219.21095	1.2
225.16472	1.1
227.17993	4.5
229.15936	4.3
229.19469	5.5
231.17433	0.9
231.21111	1.4
239.17935	1.6
241.19571	3.8
243.17529	0.9
243.21075	3.7
253.19499	4.2
255.21140	11.7
256.21304	0.7
257.04535	0.9
257.19601	1.2
257.22641	11.7
259.20575	1.7
267.20999	2.9
269.22690	11.8
271.20541	1.0
282.04047	0.6
285.22232	4.2
295.24316	1.7
299.24191	0.7
335.27545	0.7
391.33600	14.0
409.34692	100.0
410.34979	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05510	4.6
57.07069	1.4
61.07219	0.5
63.94428	0.4
67.05508	9.2
69.06728	0.8
69.07072	11.7
69.62904	3.4
69.63303	0.9
71.04984	0.6
79.05495	6.6
81.06584	1.0
81.07058	19.3
83.08612	3.6
85.06543	0.9
91.05476	6.8
93.07047	16.9
95.04987	0.8
95.08611	31.4
97.06496	0.7
97.10169	2.6
98.21632	0.6
103.05467	0.6
105.06293	0.6
105.07024	11.8
107.07870	1.2
107.08599	26.0
109.06510	0.9
109.09462	0.9
109.10161	14.0
111.08053	1.0
111.11768	0.9
115.05377	0.6
117.07010	2.1
119.08585	16.2
119.79389	0.7
121.06485	1.1
121.10143	18.5
123.08096	0.8
123.11698	7.4
125.09668	1.1
128.06175	0.7
129.07022	1.5
131.08569	16.1
131.09528	1.2
133.10127	12.3
135.11696	10.9
137.09619	0.9
137.13261	5.9
142.07735	0.5
143.08571	3.4
144.09309	0.8
145.10124	13.6
147.11681	10.0
149.13269	9.8
151.14880	0.9
155.08577	0.9
157.10120	5.0
158.10780	0.6
159.11691	8.6
161.13252	8.4
163.14825	23.7
165.12735	1.2
169.10133	1.9
170.10963	0.7
171.11702	3.6
173.13277	7.7
175.14828	6.9
177.12793	0.6
177.16388	14.3
179.14297	2.4
183.11678	1.9
185.13251	3.5
186.13803	0.7
187.14813	16.4
189.12794	1.1
189.16386	13.2
191.14397	2.6
191.17958	3.8
193.15994	0.7
197.13269	1.2
199.14835	5.0
201.16383	16.8
203.14326	2.2
203.17961	6.9
205.15843	3.0
205.19577	0.8
207.17451	4.4
211.14851	1.6
213.16371	6.1
215.17975	5.5
217.15891	1.7
217.19478	4.2
219.17413	1.8
225.16380	1.5
227.17984	4.3
229.15967	3.2
229.19499	7.9
231.17412	1.2
231.21092	1.2
239.17970	2.1
240.18661	0.9
241.19525	5.4
241.79904	0.7
242.20233	0.6
243.21115	4.6
245.19014	0.9
253.19528	5.3
255.21078	13.1
256.21783	0.7
257.19000	1.0
257.19559	0.8
257.22635	19.1
259.20636	1.8
267.21072	3.2
269.22647	15.1
271.08408	0.6
271.20590	1.6
273.22067	0.8
281.22498	0.8
283.24246	1.5
285.22174	4.8
295.24219	1.1
307.24301	0.8
321.25946	0.8
335.27191	0.7
391.33606	12.8
409.34650	100.0
410.35062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.5
56.10962	0.9
56.96558	1.0
57.07079	4.8
59.01426	0.9
65.03943	1.0
67.05503	16.2
69.03455	1.2
69.07063	15.9
69.17220	5.3
69.17643	4.0
70.35518	0.8
71.08630	1.0
79.05494	9.6
81.07058	37.7
83.08613	7.2
86.09702	2.7
91.05499	7.8
93.07047	16.6
95.04974	1.1
95.08605	54.3
97.06584	1.1
97.10194	4.5
98.21562	2.0
105.07024	15.1
107.08597	29.8
109.06543	1.8
109.10152	26.7
111.08082	1.5
117.07024	2.3
119.08595	20.2
121.06510	2.9
121.10136	19.5
121.75631	0.9
123.08066	2.0
123.11703	13.2
129.07022	1.8
131.08586	6.4
133.10126	15.7
135.08012	1.0
135.11699	17.8
137.05995	2.4
137.09631	6.3
137.13258	20.0
143.08571	3.7
144.09306	1.0
145.10117	13.3
147.07994	1.9
147.11691	11.1
149.13255	16.2
151.14828	3.7
153.12665	1.2
155.08563	2.1
156.09328	1.0
157.10100	6.2
159.11725	11.3
161.13254	9.2
163.11171	1.9
163.14807	8.9
169.10109	2.6
170.11139	1.2
171.11699	4.5
173.13196	7.2
175.14775	10.4
177.12854	1.2
177.16362	7.3
179.14331	1.2
183.11728	4.0
185.13261	2.9
187.14801	9.6
189.12749	1.5
189.16388	12.8
191.14340	3.4
191.17972	6.7
197.13249	2.1
199.14832	3.9
201.16402	9.6
203.14294	8.7
203.17924	9.5
205.15915	4.1
205.19614	1.0
211.14883	2.1
213.16405	4.5
215.18004	6.5
217.15828	1.6
217.19461	5.3
219.17477	2.7
219.20985	1.1
225.16344	2.2
227.17946	4.4
229.15933	1.3
229.19475	7.2
231.17416	3.5
231.21082	1.9
239.18054	2.3
241.19502	7.2
243.17514	1.6
243.20969	5.5
245.19086	3.1
253.19502	14.9
255.21101	6.9
257.19009	3.7
257.22662	2.8
259.20502	5.1
267.09122	1.5
267.21063	3.3
269.22665	3.4
271.20532	8.4
273.22287	2.6
281.22705	2.8
285.10153	1.3
285.22092	2.1
313.24942	1.0
325.55130	1.0
348.28107	1.8
349.17166	1.2
349.28812	1.3
361.28854	1.2
381.35159	1.5
391.33618	24.9
409.25842	3.2
409.34650	100.0
410.34808	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.9
57.05363	1.5
57.07072	2.8
58.12128	1.2
65.23860	1.4
67.05506	7.8
69.06786	1.3
69.07072	14.2
70.68699	2.7
70.69041	1.7
79.05497	7.7
81.07056	18.4
83.08614	5.0
91.05477	7.9
93.07052	20.4
95.08610	28.1
97.10155	3.3
105.07027	17.0
105.59110	1.4
107.08599	28.0
109.10157	18.9
111.11770	1.7
111.12562	1.3
117.06966	2.3
119.08574	23.7
121.10145	17.7
123.08067	2.3
123.11736	7.6
129.06992	2.0
131.08588	6.9
133.10130	19.0
135.11702	13.1
137.13252	6.5
138.21605	1.4
143.08569	4.0
145.10158	15.7
147.11687	15.6
149.13275	11.8
157.10158	6.9
158.10777	1.5
159.11702	14.5
161.13280	10.3
163.14832	9.5
165.12744	1.5
169.10152	2.0
171.11681	7.7
173.13260	10.5
175.14839	8.1
177.16385	4.1
179.14282	2.5
183.11623	2.2
185.13284	6.7
187.14833	12.6
189.16391	15.2
191.14374	2.4
191.17975	5.1
197.13246	2.4
199.14867	5.8
201.16391	14.4
203.17950	7.7
205.15814	7.5
207.06561	2.8
207.17459	2.2
211.14893	3.7
213.16429	4.1
215.17905	6.5
217.19577	4.4
219.21159	1.6
227.17989	3.3
229.19475	11.1
231.21138	2.0
239.18019	1.5
241.19548	11.9
243.21034	6.9
253.19617	4.0
255.21136	17.1
257.22629	8.6
265.19592	2.0
267.21002	3.0
269.22647	11.3
273.22141	1.3
293.22784	1.7
295.24268	2.1
299.23779	1.5
335.27472	3.1
349.28888	3.3
391.33539	27.5
392.33969	1.8
409.08902	2.3
409.34668	100.0
410.35071	1.9
413.98981	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05515	3.8
57.07090	1.1
57.40071	0.8
59.40290	0.9
63.99046	0.7
67.05516	5.2
69.07072	10.0
79.05489	6.1
81.07059	21.1
83.08638	4.1
86.69904	0.9
91.05466	5.2
93.07043	16.0
95.08613	27.1
97.10175	2.2
98.20726	1.7
103.74770	0.8
105.07047	11.3
107.08596	25.0
107.09308	1.6
109.10159	13.3
111.11723	1.3
115.25497	0.8
117.07026	2.8
119.08588	16.4
121.10155	17.0
123.11724	5.2
126.01221	0.8
129.07007	1.4
130.63821	0.8
131.08572	12.0
133.10143	10.9
135.11699	10.7
137.09540	0.8
137.13283	5.6
142.07790	1.1
143.08601	3.7
145.10139	12.4
147.11696	10.6
147.50700	0.9
149.13275	13.2
151.14825	1.0
152.30273	0.8
155.08539	1.0
157.10159	5.2
159.08177	1.0
159.11710	10.5
161.13255	7.9
163.14830	29.9
166.08748	0.8
169.10127	1.5
170.10924	1.5
171.11691	3.6
173.13234	8.2
175.14842	9.2
177.16394	13.8
179.14401	2.7
183.11714	1.4
185.13237	4.5
187.14833	15.0
189.16402	13.3
191.14313	2.1
191.17906	4.7
197.13257	1.8
199.14851	4.3
201.16397	13.6
203.14270	1.4
203.17961	7.9
205.15857	1.4
207.17471	1.7
211.14850	1.4
213.16382	4.9
215.17970	10.0
217.19565	3.8
219.17458	1.6
225.16402	1.6
227.18010	5.4
229.15897	2.2
229.19521	8.0
231.17461	1.5
231.21071	1.5
239.17996	1.9
241.19522	6.8
243.21094	4.2
253.19547	5.6
255.21086	14.6
257.22672	14.3
259.20609	1.5
267.21231	3.7
269.22644	14.2
281.22641	1.1
285.22211	7.7
295.24353	1.1
304.91504	0.8
349.28857	1.0
383.01593	0.8
391.33624	14.9
409.34668	100.0
410.34760	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05514	3.6
57.03442	0.8
57.07058	0.9
57.97303	0.6
62.09823	0.6
67.05501	9.0
67.50376	0.5
69.06720	1.0
69.07065	12.9
70.54296	1.4
70.54703	1.1
71.08629	1.2
79.05482	6.1
81.07058	22.3
83.08602	3.2
85.06539	0.7
91.05476	7.6
93.07041	16.0
95.08610	30.2
96.08949	1.1
97.06542	0.7
97.10154	2.2
105.07029	14.2
107.08595	32.8
108.08976	0.7
109.10159	15.4
111.08135	0.9
111.11736	0.9
117.07022	1.9
119.08575	18.7
121.10143	19.7
121.11034	1.0
123.11702	6.9
129.07030	1.6
131.08569	17.8
133.10141	13.8
135.11696	12.3
137.13284	5.6
143.08572	5.0
145.10118	12.8
147.11688	13.7
147.12804	1.1
149.13254	13.6
155.08591	1.3
156.09419	0.9
157.10139	6.9
159.11696	10.4
161.13258	8.9
163.14825	32.4
165.12747	1.3
169.10162	2.2
171.11670	4.6
172.12460	1.0
173.13264	8.7
175.14828	6.1
177.16391	16.8
179.14311	2.2
183.11714	2.3
184.12569	0.8
185.13271	4.4
187.14824	21.4
189.12808	1.2
189.16383	16.1
191.14308	1.8
191.17947	2.7
197.13268	1.4
199.14777	4.5
201.16385	14.7
203.17931	7.4
207.17442	3.2
211.14844	2.1
213.16400	6.1
215.17943	7.3
217.15967	1.5
217.19495	5.0
219.17461	0.9
225.16425	2.7
226.17282	0.8
227.17934	6.7
228.18655	0.7
229.15916	5.0
229.19490	8.5
231.17574	1.4
239.17979	2.2
241.19524	6.9
243.21104	6.4
245.22707	1.1
247.20633	1.2
253.19508	7.4
255.21071	16.2
255.23605	1.1
257.19058	1.4
257.19531	1.1
257.22635	23.2
259.20612	2.1
267.21118	3.8
269.22638	24.0
271.20691	0.7
285.22098	6.0
295.24219	2.3
321.25894	1.0
367.02838	0.6
391.33585	15.3
409.34644	100.0
410.34967	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28410	0.9
55.05513	7.2
56.96552	1.5
57.07059	3.4
67.05508	14.6
69.07072	13.5
70.34591	3.3
78.34190	1.1
79.05492	9.1
81.03413	1.8
81.07056	27.4
83.08621	5.0
85.02899	1.9
85.50879	0.9
91.05474	10.8
93.07043	24.3
95.04967	1.5
95.08607	42.3
96.08947	2.5
97.02837	1.0
97.06532	1.7
97.10172	4.3
102.95812	1.0
105.06382	2.2
105.07029	19.9
107.08590	26.7
109.02877	0.9
109.06454	1.5
109.09382	1.4
109.10154	23.6
111.08086	1.2
111.11716	1.8
117.07025	3.9
119.08575	19.6
121.10149	18.4
123.11690	7.8
129.07001	3.9
131.08553	12.7
133.10150	16.4
135.11691	15.5
137.13251	8.6
142.07799	1.7
143.08585	5.3
145.10139	15.8
147.08093	1.2
147.11694	12.5
149.13271	12.7
151.14891	1.3
155.08575	1.6
156.03000	1.0
157.10143	6.9
159.11691	11.5
161.13245	7.6
163.14819	16.8
165.12726	1.0
167.08672	1.0
169.10188	2.9
170.10889	1.1
171.11665	7.0
173.11853	1.6
173.13249	11.2
175.11134	1.4
175.14828	10.8
177.16389	9.6
179.14343	2.0
182.10947	1.2
183.11700	4.1
184.12415	1.2
185.13351	4.7
187.14827	13.6
189.16374	13.0
191.17944	4.2
197.13293	2.8
198.14003	1.8
199.14812	6.4
201.16397	12.9
203.14262	1.8
203.17984	8.3
205.15924	2.4
211.14824	3.0
213.16408	4.0
214.17012	1.2
215.17931	11.4
217.19508	5.1
219.17490	2.1
219.48383	1.0
225.16418	2.7
227.17885	7.1
229.16046	1.4
229.19545	13.6
231.17342	1.5
231.21202	1.3
233.19019	3.4
239.17946	3.4
241.19533	14.8
241.21797	1.6
243.21075	3.4
245.19049	2.4
247.20580	1.8
253.19533	4.1
255.21077	9.2
257.04730	2.1
257.18954	1.7
257.22675	7.0
259.20624	6.2
267.21085	4.1
269.22644	7.8
271.20593	4.3
271.23914	1.3
273.22162	4.5
281.22729	3.3
285.22156	4.5
295.24243	2.5
309.25995	1.2
321.25720	1.4
391.33624	20.5
409.26715	9.6
409.34665	100.0
410.34933	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.9
57.07071	1.5
65.03954	0.7
66.64948	0.5
67.05174	1.0
67.05506	10.8
68.07594	0.5
69.03450	0.7
69.06723	1.0
69.07073	13.4
77.10355	0.7
79.05493	6.8
81.06584	1.2
81.07061	24.9
83.08621	4.4
83.94680	0.7
91.05485	6.5
93.07047	17.8
95.04975	0.9
95.08615	31.1
97.06506	0.7
97.10170	1.9
105.07040	14.6
107.08602	29.4
109.06529	1.0
109.10162	16.4
117.07004	2.5
117.44044	0.7
119.08580	18.4
121.06508	0.7
121.10154	19.9
123.08050	0.7
123.11707	7.6
125.09693	0.7
129.07024	1.0
131.08582	14.1
131.83080	0.8
131.84047	0.6
133.10130	12.8
135.08099	1.1
135.11708	12.7
137.09618	0.9
137.12354	0.6
137.13283	7.9
143.08568	5.8
144.09340	1.0
145.10129	12.9
147.11694	13.6
149.13271	17.1
151.14818	1.1
153.12749	0.9
155.08571	1.2
157.10146	7.9
159.07948	0.7
159.11697	10.8
161.13278	8.1
163.14828	30.8
165.12811	1.3
169.10088	1.4
170.10930	0.8
171.11691	6.0
172.12495	1.1
173.13286	8.4
175.14853	8.6
177.16394	12.7
179.14299	2.0
183.11687	2.2
185.13263	5.4
187.14833	16.2
189.12720	1.2
189.16393	14.1
191.14359	1.8
191.17978	4.0
197.13275	0.9
199.14798	4.6
201.16385	13.4
203.14313	2.9
203.17982	8.4
205.15913	2.9
205.19666	0.7
207.17453	2.1
211.14865	1.7
213.16373	5.0
215.14336	0.7
215.17958	10.1
217.15947	1.8
217.19490	4.7
219.17471	1.2
225.16360	1.2
226.17111	1.5
227.17958	5.1
228.18736	1.4
229.15897	2.8
229.19472	7.0
231.17444	1.7
231.21051	0.8
239.17961	1.7
241.19489	6.9
242.19957	0.9
243.21092	6.1
245.19037	0.9
247.20752	0.7
253.19516	6.0
255.21103	16.7
257.18930	0.8
257.19543	0.8
257.22662	15.0
259.20599	3.1
267.21094	3.3
269.19904	1.4
269.22665	18.1
281.22614	1.0
285.22141	7.3
295.24277	1.7
307.23795	0.8
336.86493	0.7
391.33652	14.2
409.34668	100.0
410.34979	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05510	4.6
57.07069	1.4
61.07219	0.5
63.94428	0.4
67.05508	9.2
69.06728	0.8
69.07072	11.7
69.62904	3.4
69.63303	0.9
71.04984	0.6
79.05495	6.6
81.06584	1.0
81.07058	19.3
83.08612	3.6
85.06543	0.9
91.05476	6.8
93.07047	16.9
95.04987	0.8
95.08611	31.4
97.06496	0.7
97.10169	2.6
98.21632	0.6
103.05467	0.6
105.06293	0.6
105.07024	11.8
107.07870	1.2
107.08599	26.0
109.06510	0.9
109.09462	0.9
109.10161	14.0
111.08053	1.0
111.11768	0.9
115.05377	0.6
117.07010	2.1
119.08585	16.2
119.79389	0.7
121.06485	1.1
121.10143	18.5
123.08096	0.8
123.11698	7.4
125.09668	1.1
128.06175	0.7
129.07022	1.5
131.08569	16.1
131.09528	1.2
133.10127	12.3
135.11696	10.9
137.09619	0.9
137.13261	5.9
142.07735	0.5
143.08571	3.4
144.09309	0.8
145.10124	13.6
147.11681	10.0
149.13269	9.8
151.14880	0.9
155.08577	0.9
157.10120	5.0
158.10780	0.6
159.11691	8.6
161.13252	8.4
163.14825	23.7
165.12735	1.2
169.10133	1.9
170.10963	0.7
171.11702	3.6
173.13277	7.7
175.14828	6.9
177.12793	0.6
177.16388	14.3
179.14297	2.4
183.11678	1.9
185.13251	3.5
186.13803	0.7
187.14813	16.4
189.12794	1.1
189.16386	13.2
191.14397	2.6
191.17958	3.8
193.15994	0.7
197.13269	1.2
199.14835	5.0
201.16383	16.8
203.14326	2.2
203.17961	6.9
205.15843	3.0
205.19577	0.8
207.17451	4.4
211.14851	1.6
213.16371	6.1
215.17975	5.5
217.15891	1.7
217.19478	4.2
219.17413	1.8
225.16380	1.5
227.17984	4.3
229.15967	3.2
229.19499	7.9
231.17412	1.2
231.21092	1.2
239.17970	2.1
240.18661	0.9
241.19525	5.4
241.79904	0.7
242.20233	0.6
243.21115	4.6
245.19014	0.9
253.19528	5.3
255.21078	13.1
256.21783	0.7
257.19000	1.0
257.19559	0.8
257.22635	19.1
259.20636	1.8
267.21072	3.2
269.22647	15.1
271.08408	0.6
271.20590	1.6
273.22067	0.8
281.22498	0.8
283.24246	1.5
285.22174	4.8
295.24219	1.1
307.24301	0.8
321.25946	0.8
335.27191	0.7
391.33606	12.8
409.34650	100.0
410.35062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23237	0.8
52.54343	0.7
53.03951	1.2
55.05511	4.7
57.07074	1.2
61.08248	0.8
67.05501	6.5
69.07066	9.9
70.04163	3.7
71.16908	0.9
71.23174	0.8
71.99325	0.8
74.65014	0.8
77.41547	0.7
79.05478	6.2
81.07058	26.1
83.04989	1.3
83.08609	3.7
85.06544	1.1
90.26634	0.8
91.05482	6.1
93.07041	18.3
94.19948	0.8
95.04953	0.8
95.08612	27.3
97.06518	1.2
97.10149	1.8
105.07037	15.4
107.08595	29.2
109.10159	11.3
111.08102	1.0
115.09927	0.8
117.07010	2.0
119.08588	15.5
121.10143	20.0
122.62608	0.8
123.06087	0.8
123.08109	1.1
123.11722	5.1
131.08577	5.1
133.10132	14.4
135.11685	10.6
137.13271	6.1
143.08580	3.7
144.11761	0.8
145.10117	11.3
147.11688	17.0
149.13266	29.2
155.08553	0.9
157.10121	7.1
159.11678	7.9
161.13278	8.7
163.14824	36.3
169.10202	1.1
171.11647	4.8
172.12492	0.9
172.28810	0.8
173.13268	6.7
175.14828	7.1
177.16388	8.1
179.14331	2.0
183.11603	1.6
185.13246	5.1
187.14818	7.9
189.16405	10.0
191.18008	1.2
197.13344	1.5
199.14793	5.2
201.16367	5.2
203.17961	11.0
211.14803	1.9
213.16434	5.6
215.18011	11.1
217.19484	1.1
219.17439	1.5
225.16260	1.3
227.17966	6.0
228.18703	1.7
229.19524	8.4
231.21083	3.7
239.17908	1.3
241.19478	9.1
242.20251	1.7
243.21094	5.1
253.19420	1.7
255.21088	17.3
257.22696	3.7
259.20651	3.5
267.21100	1.1
269.22644	11.4
285.22122	17.7
295.24316	2.0
391.33566	7.3
409.34659	100.0
410.35001	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01756	1.2
53.03963	1.3
55.05506	5.2
57.07071	2.8
60.74163	1.1
67.05511	10.2
69.07067	11.1
69.68801	5.5
69.69233	1.8
79.05490	8.7
81.07063	27.4
83.08604	4.8
87.18409	1.1
91.05475	9.3
93.07053	22.7
95.05003	1.2
95.08052	2.2
95.08614	31.1
97.10155	1.9
98.20787	2.2
101.18871	1.1
105.07036	18.6
107.07876	1.6
107.08599	32.1
109.10168	18.9
111.11688	1.3
117.06986	3.5
119.08580	18.4
121.10150	21.3
123.08076	1.9
123.11707	7.0
129.06969	2.7
131.08580	10.1
133.10132	19.1
135.11684	12.1
137.13243	5.9
143.08571	5.3
145.10132	18.1
147.11710	15.5
149.13269	24.6
153.61317	1.2
155.08513	1.3
156.09372	2.7
157.10120	9.0
159.11719	14.0
161.13249	8.9
163.14828	32.9
165.12808	1.3
165.16418	1.2
169.10168	2.6
171.11682	6.8
173.13280	9.7
175.14861	13.1
177.16408	12.7
179.14290	2.9
183.11748	2.0
185.13213	6.4
187.14856	11.7
189.16382	11.9
191.18025	2.8
197.13271	2.2
199.14841	4.5
201.16388	8.8
203.17929	7.6
207.17496	1.2
211.14870	3.4
213.16347	10.9
215.17960	20.0
217.15617	1.5
217.19461	2.3
219.17419	3.1
225.16444	2.7
227.17993	6.0
229.19553	15.2
231.17432	3.3
231.21107	4.5
239.17981	2.6
241.19485	9.0
243.21066	6.9
245.19289	1.3
253.19350	2.0
255.21114	21.0
257.22565	4.4
259.20773	1.6
267.21091	2.7
269.22626	8.8
272.19272	1.3
281.22748	2.5
285.22128	8.9
295.24298	3.5
308.00854	1.3
335.27188	1.4
391.33615	25.2
409.34671	100.0
410.35080	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35107	0.9
55.05490	3.1
57.07060	1.1
67.05501	4.8
69.07075	7.4
70.11837	3.8
79.05469	3.0
81.07059	17.9
83.08599	2.6
84.24674	1.0
89.06017	1.5
91.05489	2.7
93.07055	8.9
95.04948	1.4
95.08611	20.3
97.10162	1.8
101.01589	1.0
105.07018	6.9
107.08601	15.2
109.06489	1.6
109.10171	13.3
111.11700	1.3
119.08587	7.0
121.06493	1.5
121.10146	14.5
123.08019	1.7
123.11709	7.9
131.08562	2.5
133.10124	7.7
135.08070	1.8
135.11694	7.1
137.13245	5.5
143.08524	1.1
145.10083	3.8
147.08017	1.4
147.11633	4.3
149.13266	12.8
150.35774	1.0
157.10094	1.5
158.03622	1.1
159.11665	3.0
161.09569	1.3
161.13206	4.4
163.14818	5.1
173.13246	2.0
175.14806	3.1
177.16415	8.2
184.12653	1.0
185.13220	1.5
187.14806	2.0
189.16379	2.9
191.17940	3.5
199.12361	1.1
199.14847	1.2
201.16367	2.7
203.17911	2.1
213.16368	1.7
215.17970	2.7
217.15794	2.7
217.19444	1.3
219.17357	3.0
227.17995	1.4
229.19576	2.5
231.21094	2.1
241.19589	1.4
243.21159	1.9
245.19025	2.1
254.33333	1.2
257.22968	1.3
259.20380	0.9
285.21954	2.2
361.09964	1.1
391.33569	3.2
409.34534	100.0
410.34879	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	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58789	0.4
53.03944	0.9
55.05513	5.2
57.07079	3.5
59.05000	0.4
67.05509	13.0
69.03431	0.7
69.07074	12.9
71.04966	0.5
71.08636	0.8
77.03913	0.5
79.05494	7.0
81.07062	32.3
82.07438	0.5
83.08632	5.2
85.89832	0.4
91.05489	6.0
93.07052	18.1
95.04971	0.8
95.08614	46.7
96.08944	0.5
97.06510	0.8
97.10174	3.5
103.05485	0.5
105.07038	15.0
107.08602	25.7
109.06544	1.1
109.10165	23.5
111.08083	0.9
111.11702	0.9
117.07038	2.7
119.08591	18.4
121.06499	2.8
121.10154	16.4
123.08088	1.2
123.11713	12.0
125.13255	0.4
129.07007	1.4
130.07837	0.4
131.08592	7.8
133.06508	0.6
133.10139	12.7
133.11095	0.9
135.08084	2.6
135.11710	15.0
137.09633	2.9
137.13266	13.8
142.07826	0.6
143.08549	3.3
144.09355	0.7
145.10129	11.7
145.59509	0.4
147.08047	1.7
147.11696	9.3
149.09602	0.5
149.13264	16.1
151.11191	0.7
151.14850	2.2
153.12721	0.7
155.08615	1.0
157.10161	4.3
157.46947	0.5
158.10913	0.7
158.23409	0.4
159.08052	0.8
159.11705	8.2
161.09608	1.2
161.13255	9.2
163.14828	9.3
168.09335	0.5
169.10107	2.2
171.11696	3.2
173.11824	0.5
173.13272	7.8
174.13858	0.4
175.11275	1.0
175.14828	8.1
177.12807	0.6
177.16388	4.7
179.14349	2.1
183.11766	2.6
184.12366	0.8
185.13303	2.5
186.51497	0.5
187.14824	8.5
187.16426	0.6
189.12813	3.0
189.16400	11.4
189.18123	0.8
191.14331	2.0
191.17955	5.9
195.11819	0.6
197.13272	1.7
199.14821	3.3
201.16391	14.2
203.14322	9.1
203.17972	8.0
205.15881	9.0
205.19502	1.6
209.13229	0.6
211.14827	1.6
213.16406	3.5
214.17078	0.5
215.14359	0.8
215.17964	4.8
217.15942	1.8
217.19482	3.1
219.17439	1.4
219.21031	0.8
221.19121	0.9
223.14853	0.7
225.16423	1.9
226.16939	0.4
227.17905	3.2
228.18684	0.5
229.15884	3.6
229.19489	4.1
231.17474	2.8
231.21014	2.1
233.18964	0.5
237.16364	0.8
239.17943	2.8
241.19571	4.3
243.17471	0.8
243.21143	3.1
245.18988	2.1
245.22731	0.8
253.19527	8.8
255.21118	6.2
257.18994	3.3
257.22672	1.9
259.20654	2.2
265.19864	0.6
267.21118	3.0
269.22757	2.0
271.20590	4.5
271.24200	1.1
273.22141	1.0
281.22577	1.0
283.24374	0.7
284.91119	0.4
285.22131	2.7
293.22607	0.5
295.24167	0.8
299.23822	0.6
309.25842	0.6
321.25754	0.7
335.27481	1.0
348.28232	1.4
349.29016	1.4
381.35175	1.2
389.19012	0.8
391.33618	22.4
409.34665	100.0
410.35181	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24169	1.0
52.82993	0.9
53.03931	1.1
55.05503	4.6
57.07071	2.1
61.74630	1.2
67.05506	8.8
69.07070	12.8
70.92797	2.4
71.08613	1.1
79.05490	7.4
81.07056	28.3
83.08604	3.2
83.79269	1.0
91.05482	7.9
93.07050	21.4
95.04974	3.2
95.08605	29.2
97.06502	1.8
97.10156	1.5
99.33060	1.1
102.60365	0.9
103.74918	1.2
105.07041	15.2
107.07876	1.6
107.08595	27.7
109.10140	15.9
111.08108	1.7
117.07008	2.2
119.08585	17.5
121.10146	23.2
123.11705	4.7
131.08545	5.5
133.10129	17.0
135.08112	1.5
135.11687	12.4
137.13280	9.8
143.08525	5.9
144.09372	1.2
145.10127	13.7
147.10641	1.8
147.11696	18.9
149.13257	32.6
156.09358	1.1
157.10130	7.2
159.11679	7.7
161.13257	7.3
163.11336	1.1
163.14825	41.0
169.10249	1.6
171.11688	6.1
173.13300	5.8
175.14838	9.6
177.16380	11.0
179.14348	1.3
183.11710	1.6
185.13255	5.8
186.66629	1.2
187.14795	7.5
189.16396	9.9
197.13278	1.9
199.14842	6.1
201.16449	6.4
203.17969	13.1
209.13435	1.1
211.14853	1.3
213.16325	6.3
215.17955	16.3
221.15384	1.9
225.16431	1.8
227.17955	6.6
228.18715	1.9
229.19496	7.5
231.21124	3.1
239.18002	1.5
241.19504	9.9
243.21062	4.9
253.19693	2.2
255.21088	17.4
257.22641	3.8
259.20621	4.9
267.20956	1.7
269.22690	9.1
285.22119	17.2
295.24197	1.6
310.17261	1.1
391.33441	11.0
409.09677	1.5
409.34653	100.0
410.35110	1.5
419.33771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62915	0.7
55.05522	4.1
57.07062	2.2
67.05505	8.3
69.07072	10.6
71.08646	0.9
79.05493	7.4
81.06580	1.7
81.07058	27.5
83.08621	3.3
85.18341	0.6
88.54029	0.8
91.05479	7.0
93.07049	20.1
93.07629	1.4
95.08611	28.8
96.36791	0.7
97.10188	1.2
105.07032	15.0
107.08598	32.4
109.10163	12.8
111.08077	1.8
111.11788	0.7
117.07004	1.7
119.08584	16.9
121.10146	20.6
123.08019	1.2
123.11730	5.5
129.06960	0.9
131.08569	6.8
133.10136	16.6
134.32251	0.7
135.11700	11.5
137.13255	6.8
139.07559	1.4
139.11169	0.7
143.08574	4.1
145.10127	14.3
147.11687	21.7
149.13257	33.5
151.14824	1.2
157.10146	5.8
159.11691	11.0
161.13254	8.5
163.14828	40.7
171.11694	5.2
172.12462	1.0
173.13261	7.2
175.14806	6.7
177.16362	6.6
179.14305	1.4
183.11700	1.7
185.13297	5.6
187.14804	9.1
189.16377	9.6
191.17897	0.9
197.13289	1.0
199.14885	4.3
201.16376	5.7
203.17955	14.7
211.14883	2.0
213.16382	5.3
215.14427	1.4
215.17947	13.6
217.19487	0.8
225.16444	1.2
226.17172	1.2
227.17920	5.7
228.18787	2.7
229.19568	8.5
231.21126	2.9
233.15379	4.4
239.17946	1.1
241.19543	9.3
242.20213	0.8
243.21083	6.0
253.19649	2.2
255.21071	20.9
257.22601	3.5
259.20502	3.7
267.21042	2.0
269.22653	10.8
281.22726	0.8
285.22150	18.9
293.23016	0.8
295.24365	1.6
391.33624	9.6
409.34671	100.0
409.80527	0.8
410.34940	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	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05514	6.7
57.07083	4.5
67.05510	24.0
69.07071	23.7
70.86189	4.4
79.05505	8.4
81.07054	56.8
83.08616	8.1
89.06061	3.4
91.05469	5.8
93.07040	22.1
95.08606	100.0
95.94285	2.5
97.10175	5.3
98.20867	2.4
103.64824	2.6
105.07034	12.8
107.08593	37.6
109.10160	80.2
111.11740	5.6
119.08576	12.1
121.10147	26.3
123.11721	35.5
133.10104	11.2
135.11700	20.3
137.13281	14.4
147.11673	8.0
149.13257	29.7
159.11717	2.9
161.13272	4.7
163.14822	26.6
173.13385	2.6
175.14890	4.6
177.16403	6.3
189.16397	7.5
191.17926	21.1
195.12270	3.1
201.16403	2.7
203.17969	7.4
205.19528	11.2
217.19536	6.8
219.21060	27.2
229.19583	5.7
231.21149	6.1
267.21207	2.1
271.24292	2.7
313.28970	3.7
366.34375	2.3
391.33856	2.5
409.38550	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05504	15.1
57.07063	9.2
67.05503	26.9
69.07072	52.5
71.08630	4.5
71.14478	3.9
79.05495	13.2
79.97426	2.0
81.06589	4.1
81.07059	77.5
83.08611	20.1
87.60522	2.4
91.05468	11.9
93.07038	29.6
95.08606	67.3
97.10168	11.1
105.07037	22.0
107.08598	40.3
109.10161	49.6
111.11718	5.7
115.23740	2.7
117.07002	4.2
119.08598	24.4
121.10150	36.0
123.11713	29.6
125.13223	3.1
126.12469	2.3
131.08572	7.4
133.10136	25.3
135.11710	27.4
137.13240	18.2
143.08542	3.8
145.10109	15.1
147.11664	24.5
149.13269	23.4
151.14832	2.7
157.10117	6.0
159.11720	18.9
161.13225	15.8
163.14807	12.2
163.39952	2.5
173.13313	15.5
175.14848	11.2
177.16412	9.5
185.13290	4.4
185.79832	2.5
187.14848	10.3
189.16385	14.3
191.17967	9.6
199.14925	3.3
201.16396	8.9
203.17920	10.9
213.16458	5.3
215.17961	7.0
217.19562	8.2
227.17914	4.3
229.19548	8.2
231.21069	6.8
243.21045	4.2
245.22551	3.3
257.22556	7.7
259.24231	5.9
271.24185	7.9
285.25873	6.2
299.83856	2.4
325.28986	5.0
327.30450	7.6
339.30472	3.1
353.31976	4.8
367.33591	2.9
409.38333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93991	1.5
53.03957	2.4
53.97292	1.5
55.05514	14.8
55.64127	1.7
57.07079	9.7
67.05504	22.9
69.07072	50.4
71.08635	3.8
79.05497	12.3
81.07059	87.0
83.08620	17.4
89.06031	3.4
90.19410	1.6
91.05480	6.6
93.07048	26.7
95.08611	68.7
97.10166	9.1
98.21494	5.8
99.42052	1.6
105.05663	1.4
105.07034	23.0
107.08598	36.5
109.10158	54.9
111.11732	5.6
119.08585	26.1
121.10148	37.6
121.11017	2.1
123.11714	30.2
125.13274	3.1
129.77171	1.7
131.08588	6.1
133.10138	18.0
135.11703	27.5
137.13257	22.2
142.25401	1.7
145.10129	11.2
147.11696	16.5
149.13264	17.7
151.14815	3.1
157.10121	3.3
159.11667	14.1
161.13286	22.5
163.14816	13.2
173.13300	13.9
175.14833	13.0
177.16415	15.5
179.78789	1.5
185.13358	2.7
187.14798	9.8
189.16382	10.3
191.17953	7.0
195.12383	2.7
201.16446	7.1
203.17909	10.9
205.19585	4.1
213.16451	4.3
215.18062	9.1
217.19534	7.6
219.21175	1.7
229.17195	3.2
229.19571	13.6
231.21074	10.3
243.21094	4.2
245.22675	3.8
257.22653	8.0
259.24228	7.5
265.76517	1.9
271.24261	8.6
285.25793	5.3
291.82971	1.7
299.27448	4.7
313.28949	2.3
322.45428	1.6
327.30597	4.9
339.30450	2.8
353.32086	4.9
367.33331	2.8
409.38345	100.0
410.38641	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	409.3824
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.49909	7.8
52.45583	7.3
52.59301	6.7
53.10522	8.0
55.05499	9.9
57.96524	7.6
67.05511	16.2
69.07071	21.5
71.55064	7.5
81.07059	48.3
93.07053	18.3
95.08616	100.0
105.07011	9.3
105.32487	7.8
107.08599	26.4
109.10162	45.7
113.06101	8.0
119.08614	22.5
121.06563	8.4
121.10161	36.6
123.11710	28.5
133.10112	9.8
135.11687	19.6
135.71303	7.1
137.13220	38.1
147.11757	13.2
149.13197	15.8
161.13203	10.0
163.14778	13.8
177.16454	10.4
189.16380	15.4
191.17865	12.9
203.18115	12.6
215.18047	10.6
219.20908	8.8
229.19484	17.0
409.34064	21.4
409.38379	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11834	0.8
56.96561	1.9
57.03427	1.0
57.07078	5.9
57.81870	0.8
58.06605	1.6
59.77065	0.8
63.15168	0.7
65.03934	1.6
67.05498	2.8
69.03437	0.9
69.07040	1.2
70.06594	16.7
70.91863	2.3
71.06223	0.8
71.08634	4.0
72.08128	1.1
79.05491	1.1
81.03410	1.7
81.07047	1.0
81.96267	0.8
84.04503	3.4
85.02913	1.9
88.07630	17.5
91.03938	1.0
91.05465	0.8
93.07053	2.5
95.08609	2.4
96.08971	0.8
97.02885	2.0
98.97575	1.8
99.04474	0.8
102.09174	12.4
105.07027	2.4
107.08646	1.1
109.10143	2.3
114.75680	0.7
119.08591	1.5
121.02869	1.2
121.10178	1.1
127.03912	1.0
128.36722	0.8
133.10132	1.5
135.07999	0.9
137.06061	0.8
139.03874	1.9
149.02354	47.9
149.03426	3.4
156.17534	1.0
161.09669	1.0
173.11763	1.0
193.04965	55.0
200.20097	55.1
229.07491	1.6
229.14534	1.0
237.07574	69.3
247.08694	1.1
267.09009	3.3
285.10089	5.5
324.11560	2.3
375.00214	1.0
410.25378	100.0
411.25772	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	410.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.4
57.07080	42.8
61.33161	3.7
64.11357	3.7
67.05502	11.0
69.07059	12.4
71.08632	20.4
72.73697	3.7
73.06564	4.0
79.05490	11.5
81.07074	27.0
82.07384	4.7
83.08641	4.1
85.10186	18.2
89.06039	100.0
90.70517	4.5
91.05479	11.8
93.07032	19.5
94.07365	7.8
95.04987	6.3
95.08640	24.9
96.08952	9.1
97.06493	5.6
97.10184	6.4
105.07045	18.8
106.07370	8.3
107.08599	14.3
108.08912	5.4
109.10155	13.3
110.10497	6.7
119.08607	21.3
120.08922	9.9
121.10158	12.9
122.10504	4.3
123.11724	8.9
131.08572	8.0
132.08844	4.1
133.08623	51.7
133.10121	13.5
134.10516	6.4
135.11664	8.2
136.12067	4.2
143.08482	4.2
145.10112	14.5
146.10472	6.4
147.11658	9.2
148.12056	6.6
149.13249	7.5
150.13545	3.9
151.09630	5.3
155.17946	3.9
157.10155	4.8
159.11693	9.2
160.12122	3.7
161.13312	5.4
163.14810	7.7
164.15251	5.0
166.09459	4.0
171.11771	4.8
173.13208	3.5
177.11191	12.8
187.14836	7.9
188.15266	5.0
189.16454	3.7
190.16815	4.1
199.20625	4.5
200.15164	4.3
201.16341	8.1
202.16743	7.3
221.15475	8.3
225.51357	3.1
227.17845	3.6
228.18239	4.2
229.19521	3.7
239.14830	31.5
243.23216	7.3
253.94551	3.4
256.21469	4.4
287.25766	3.9
338.33704	3.6
392.33978	9.8
393.32098	39.7
410.27240	7.0
410.35098	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79473	3.3
55.01878	5.8
55.05519	3.8
56.96543	4.2
57.03408	5.4
61.02928	5.0
67.05489	6.6
67.70781	3.3
69.03424	10.3
69.07061	13.8
69.43369	7.7
69.43780	17.5
71.04991	5.0
79.05499	4.9
81.03420	6.4
81.07048	8.0
85.02910	15.1
93.07053	7.1
97.02892	7.0
97.06550	4.5
98.20779	6.3
98.97598	28.3
105.07033	8.7
107.08631	4.9
109.10152	4.9
110.97568	10.9
116.98708	6.5
123.04488	5.9
127.03908	5.9
128.98584	6.2
133.06487	8.0
133.10101	5.3
140.48256	4.1
145.04930	4.4
153.01913	7.2
153.17464	4.1
158.99724	4.5
161.05975	12.0
163.03825	5.1
164.43164	3.6
167.07172	4.5
173.03029	4.2
177.00673	4.5
193.08597	8.8
203.07523	4.4
219.01755	17.5
237.02850	18.0
249.07605	8.8
249.11070	16.9
250.30670	3.6
259.06006	6.2
299.32751	4.0
325.05569	3.9
351.73657	3.9
393.12680	5.4
411.12259	100.0
411.20422	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	411.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
56.96564	1.7
57.03435	3.0
61.02916	3.9
62.06089	1.6
69.03428	8.9
69.62965	8.2
71.04977	1.5
72.04535	10.6
73.02901	1.4
81.03406	5.4
83.04978	2.4
85.02908	22.4
87.04469	1.5
91.03931	1.5
97.02875	7.4
98.21579	1.7
98.97580	4.1
99.04443	1.5
103.02669	1.5
105.07024	3.2
109.00147	1.3
109.02849	3.9
118.05038	15.9
118.06567	11.6
123.04453	2.9
127.03918	5.2
129.05495	3.1
130.06566	2.1
132.08099	69.5
133.08472	1.7
144.08105	11.1
145.04921	3.4
146.06021	48.9
153.01781	3.4
156.08076	3.6
170.05992	4.0
188.07074	77.0
203.11789	3.8
213.00725	1.3
249.12358	100.0
258.11215	1.8
265.06589	1.8
276.12366	1.9
277.09525	1.5
284.98001	1.4
298.75797	1.8
367.09842	1.7
375.11884	2.0
393.12631	1.6
410.72681	1.6
411.08401	3.1
411.12625	5.3
411.17673	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	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83584	0.9
67.05505	1.8
69.03434	2.1
69.07063	1.6
69.64591	2.6
69.65029	3.1
71.05000	2.5
78.08582	0.8
79.05488	1.2
81.03416	1.1
81.03891	0.9
81.07057	3.0
83.04982	1.0
85.02924	4.4
85.06547	1.6
93.07022	1.1
95.04947	0.9
95.08598	1.8
95.84548	0.8
97.02914	1.7
97.06580	1.0
98.97576	1.0
105.07079	1.3
107.08606	2.2
109.10180	3.2
110.06056	1.5
119.08553	1.3
121.10136	1.6
124.07593	2.8
126.09157	2.5
127.03859	1.6
135.11635	1.1
136.07594	1.1
138.09154	1.2
139.30029	0.9
163.03862	1.0
164.04651	1.1
166.08688	2.7
188.04555	1.9
192.04085	3.4
203.05290	1.7
206.05634	1.6
213.18515	2.7
231.19627	1.7
231.36517	0.9
232.09914	1.2
238.04539	2.4
238.66040	0.9
249.07332	1.8
249.11208	1.4
249.15990	4.0
252.06157	3.0
262.04504	1.1
273.16025	2.6
280.05643	2.8
291.16989	9.7
305.12317	1.6
336.11835	1.2
347.13501	2.9
351.13290	1.1
361.59439	1.0
365.14578	1.6
393.13913	3.9
411.15985	64.1
411.19974	100.0
412.16479	2.7
432.18799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
55.54162	0.3
57.03432	0.8
67.05490	0.7
67.23434	0.3
69.03420	0.8
69.07091	0.5
71.01912	0.3
71.04977	0.3
73.02932	0.7
77.79735	0.3
79.05484	0.5
81.07069	0.5
83.04961	0.4
85.02911	1.9
87.04476	0.8
93.07050	0.9
95.08611	0.7
97.02900	1.0
97.06515	0.5
98.97617	1.6
105.07041	0.9
107.08588	0.9
109.10155	0.5
116.98657	0.3
119.08576	0.5
121.02983	0.5
121.10124	0.6
127.03966	0.6
133.10117	0.8
137.05974	0.4
147.11726	0.4
149.32950	0.3
158.99710	0.7
159.04755	0.4
161.06076	0.4
161.09589	0.5
163.03922	1.1
192.07883	0.6
213.18481	0.7
214.06589	0.3
214.08517	1.7
219.01775	0.5
236.03442	0.4
249.07913	0.4
259.08038	0.4
273.09479	2.3
279.60022	0.4
280.10718	5.5
280.60773	0.4
301.03461	0.4
333.05927	0.4
411.19916	100.0
412.20169	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	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.63123	0.2
53.85801	0.2
59.17937	0.2
63.03192	0.2
67.86603	0.2
69.72782	1.1
70.83456	0.2
76.82978	0.2
90.29620	0.2
91.74212	0.2
98.20793	0.3
107.04173	0.2
111.45869	0.2
116.96135	0.2
140.34319	0.2
249.14853	0.4
259.57632	0.2
268.13803	0.2
285.25397	0.2
400.38251	0.3
411.19891	100.0
412.20264	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	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51159	0.3
63.11194	0.3
69.35499	0.8
69.35906	1.8
75.05869	0.3
85.87120	0.3
88.95831	0.3
105.99496	0.3
111.48399	0.4
112.28870	0.3
181.06415	0.4
249.14732	1.5
411.19885	100.0
412.20230	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	411.1994
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05513	0.4
58.06902	0.2
64.19180	0.2
69.03416	0.2
69.64160	1.4
76.66471	0.2
81.07061	0.2
83.04984	1.4
83.08624	0.4
85.02883	0.2
93.07043	0.3
98.97649	0.2
104.66753	0.2
105.07076	0.3
107.08570	0.4
109.10157	0.5
125.45162	0.2
138.88948	0.2
151.11195	0.8
167.14342	2.3
203.05319	0.9
209.15355	1.6
216.10146	0.4
231.13727	1.2
249.14696	1.6
411.19931	100.0
412.20224	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	411.2015
Annotation	11beta,13-Dihydroglucozaluzanin C
Peak:m/z	Relative Intensity
53.03947	7.5
55.01875	5.7
55.05509	8.3
55.54477	2.1
56.96557	5.3
57.03428	5.4
67.05501	17.0
69.03430	11.3
69.07070	8.3
69.44567	10.5
69.44968	3.8
71.04996	6.2
75.04484	6.9
79.05494	22.8
81.03414	15.6
81.07063	35.6
83.04968	6.6
83.08608	3.3
85.02896	11.2
86.94375	2.0
91.05484	27.1
93.07047	100.0
95.04964	13.5
95.08614	29.3
97.02905	11.1
97.06528	6.2
98.97590	3.2
99.04469	9.8
103.05504	2.7
105.04510	2.9
105.07028	31.4
107.04959	4.0
107.07891	2.6
107.08604	39.4
109.02888	32.7
109.06530	24.9
109.10153	19.5
111.04414	3.5
111.08093	13.7
115.48079	2.1
116.98642	2.3
117.07022	3.9
119.04935	3.9
119.08588	37.8
121.06512	73.7
121.10144	64.8
123.08083	19.2
125.09655	2.8
127.03889	13.7
129.07039	2.6
131.08542	10.2
133.10132	17.9
135.08066	23.9
135.11685	7.9
137.05997	3.4
137.09642	4.2
139.07411	2.2
142.07895	2.6
143.08598	6.2
145.05006	2.4
145.10133	9.8
147.04393	19.2
147.08075	10.6
147.11664	17.6
149.05965	12.1
149.09633	13.9
149.13228	3.2
151.07559	5.6
157.10104	10.8
159.11700	5.3
161.09645	7.3
161.13283	13.3
162.00760	2.2
163.14824	39.2
163.79968	2.2
165.07022	2.8
165.09134	6.3
167.07034	7.0
168.07399	3.1
168.48341	2.3
171.11755	2.5
173.09573	2.5
175.07587	25.5
175.11211	5.1
175.14816	30.7
185.13231	4.2
187.11159	2.9
189.09070	2.6
189.12744	6.0
194.76247	2.6
203.14301	20.2
205.15939	5.0
213.12703	14.5
221.15396	7.4
231.13823	63.4
249.14839	50.8
267.15906	87.6
332.08633	2.4
361.03867	2.9
375.17737	2.2
377.01743	5.3
393.19043	4.4
411.15536	2.9
411.19940	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	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05500	3.7
57.07064	1.6
66.81437	0.7
67.05507	7.6
68.83213	0.9
69.07074	11.4
70.11330	1.7
70.11742	2.5
75.41405	0.7
76.63834	0.9
79.05507	5.6
81.07066	28.4
83.08622	3.8
89.16412	0.8
91.05474	5.9
93.07047	14.9
95.08618	41.5
97.06523	1.6
97.10172	3.6
101.20896	0.8
105.07040	11.4
107.08601	29.3
109.09477	1.3
109.10178	23.3
111.08114	1.3
113.74963	0.9
114.20319	0.8
117.07025	1.2
119.08589	15.3
121.10157	26.2
123.08055	1.2
123.11717	11.8
131.08583	3.6
133.10143	14.0
135.11707	16.5
137.13264	3.1
145.10158	4.8
147.11703	8.7
149.13284	13.1
151.14799	1.5
159.11667	6.3
161.13258	10.8
163.14833	10.8
165.16469	1.1
173.13280	3.6
175.14830	8.3
177.16409	37.6
179.14320	1.5
187.14841	5.4
189.16414	11.0
191.17952	6.0
201.16394	4.4
203.17999	10.3
205.19495	2.3
207.17401	1.3
215.17931	5.2
217.19579	6.0
227.17935	0.8
229.19548	4.7
231.21086	10.3
233.19040	1.8
243.21146	3.2
245.22726	2.6
247.20651	9.1
255.21054	2.5
257.22644	4.9
261.22171	3.8
269.22656	2.8
271.24307	2.5
273.22052	1.4
287.23807	1.5
323.27371	1.0
393.35263	20.0
411.36246	100.0
412.36554	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	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.19753	0.8
51.29586	0.9
53.03948	1.1
55.05268	0.9
55.05513	4.1
57.07068	1.4
57.75628	0.7
67.05508	6.9
69.07079	8.2
70.11705	3.6
79.05500	6.0
81.06584	1.5
81.07063	27.7
83.08623	3.7
91.05485	4.2
92.35684	0.8
93.07050	12.9
95.08617	37.4
97.06561	1.2
97.10166	3.0
98.20775	0.9
101.80438	0.8
105.07033	10.4
107.08600	27.2
109.09460	1.7
109.10163	21.4
111.08102	2.2
111.11764	1.2
117.07008	1.3
119.08588	16.2
120.39080	0.9
121.09327	1.6
121.10161	27.2
123.08100	1.3
123.11716	8.1
125.13246	0.9
131.08574	2.6
131.57823	0.8
133.10150	12.4
135.11703	13.9
137.09615	1.6
137.13268	4.5
145.10135	3.8
147.11688	8.9
149.13255	12.0
151.14819	0.8
157.10048	0.9
159.11674	5.5
161.13264	9.3
163.14835	10.8
165.12813	1.0
165.16394	1.9
170.67253	0.9
173.13274	3.8
175.14859	7.9
177.16399	34.5
179.14395	2.0
185.13255	0.8
187.14813	4.2
189.16420	7.8
191.18004	5.5
201.16443	2.3
203.17964	8.1
205.19626	1.0
207.17598	1.4
215.17902	5.0
217.19543	5.5
221.44594	0.9
227.17986	1.0
229.19531	3.5
231.21049	7.8
233.19066	2.1
243.21042	4.1
245.22745	2.7
247.20602	7.6
255.21136	2.7
257.22589	5.1
259.24152	1.4
261.22189	1.8
269.22720	1.9
271.24176	2.5
273.22263	1.3
287.23782	1.6
297.25562	0.9
345.55212	1.0
393.35175	16.3
411.36249	100.0
412.36676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03943	1.0
55.05511	7.8
57.07070	3.5
67.05507	13.3
69.07069	13.4
69.58636	5.1
69.59046	1.7
70.34292	1.0
79.05496	9.0
81.07057	32.6
83.08620	6.9
87.75735	1.1
91.05480	21.2
91.06022	1.8
93.07047	24.6
95.04958	1.1
95.08606	48.5
97.10169	3.1
98.20729	1.2
105.07033	34.0
106.07391	1.9
107.08597	33.1
109.10162	26.6
111.08073	1.2
111.11720	1.6
117.07018	2.9
119.08584	38.5
121.10143	31.1
123.11691	12.1
131.08548	5.5
133.10130	40.4
135.08124	1.0
135.11684	24.3
137.09653	1.3
137.13275	5.5
143.08626	1.2
145.10117	8.1
146.10881	1.5
147.11690	31.7
149.09598	1.3
149.13240	11.7
151.14827	1.2
153.12747	1.1
157.10155	2.9
159.11720	8.9
161.13264	16.7
163.14828	13.0
165.12698	1.2
165.15106	1.1
165.16460	1.4
169.10199	1.1
173.13214	5.2
175.14803	10.2
177.16394	12.8
179.14304	1.9
185.13307	2.0
187.14821	8.7
189.16379	100.0
190.16832	1.1
191.17963	16.0
199.14912	1.4
201.16388	7.9
203.17938	33.3
203.19711	1.8
205.15923	1.3
205.19542	2.7
207.17482	2.3
213.16463	1.7
215.17935	5.6
217.19518	3.5
221.19051	1.5
227.17934	1.8
229.19569	4.4
231.21017	6.6
233.19028	1.4
241.19377	1.4
243.21173	3.9
245.22711	1.9
255.21225	2.9
257.22614	6.7
259.24368	1.7
269.22693	2.5
271.24228	3.1
393.35303	15.9
411.14453	1.5
411.20059	1.5
411.36331	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03949	0.9
55.05510	8.1
57.07071	2.5
59.04995	0.8
65.03938	1.4
67.05505	16.5
69.07070	22.0
71.04993	1.1
71.08617	1.6
75.49966	0.7
77.03901	0.9
79.05492	13.2
81.07058	46.0
82.07396	0.6
83.08614	7.7
91.05482	11.3
93.07046	34.3
95.04974	1.5
95.08611	74.2
97.06522	1.0
97.10159	5.1
98.20717	1.6
99.08131	0.9
99.19456	0.6
103.05491	0.7
105.07033	23.2
107.08599	66.6
109.10158	35.5
109.10927	1.3
111.08084	2.3
111.11715	1.5
113.09604	0.8
114.91775	0.6
117.06995	1.1
119.07953	0.6
119.08581	28.3
121.10147	50.0
123.08051	2.2
123.11716	15.5
125.09655	2.1
131.08559	3.4
133.10136	23.1
135.11696	28.1
137.09610	1.7
137.13252	4.5
139.11205	1.0
143.08548	1.2
145.10117	6.3
147.11688	15.8
147.12802	1.2
149.13268	34.4
151.11197	1.5
151.14848	0.9
157.10178	0.9
159.11694	6.3
161.13271	15.4
163.14825	66.7
165.12755	1.5
165.16382	0.8
165.41580	0.6
171.11694	1.2
173.13263	4.4
175.14818	21.0
175.16278	1.2
177.12823	1.5
177.16385	30.1
179.14293	6.4
179.17966	1.0
181.15927	1.4
185.13280	1.3
187.14830	13.3
189.16382	30.7
191.17957	18.1
193.15878	0.9
201.16405	5.0
203.17958	39.6
205.15907	2.2
205.19513	5.4
207.17467	4.0
213.16513	1.0
215.17932	6.7
217.19505	6.2
219.17441	1.9
219.21136	1.6
221.19052	1.5
227.17952	2.1
229.19574	4.1
231.21089	20.3
233.19046	4.7
233.22649	1.8
235.20496	0.7
241.19704	1.8
243.21170	2.5
245.22705	1.4
247.20648	1.9
247.24301	1.8
255.21175	1.4
257.22681	1.4
269.22684	1.2
297.25937	1.0
315.27069	1.3
325.29031	0.7
341.28503	0.9
351.30609	1.3
365.27963	1.0
393.35245	10.1
411.36292	100.0
412.36758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.49936	1.3
52.33850	1.2
55.05517	5.3
57.07078	2.5
62.74590	1.4
67.05502	8.9
69.07070	9.4
69.27261	13.2
69.40083	1.3
77.99809	1.2
79.05487	8.5
81.07059	19.3
83.08628	4.5
91.05484	6.1
93.07049	13.5
95.08611	36.2
98.21468	2.6
105.07026	16.4
107.08592	22.2
109.10162	17.7
119.08575	19.2
121.10155	18.3
123.11679	8.4
125.19755	1.4
131.08638	2.8
133.10152	17.3
135.11684	15.9
137.13222	3.4
139.07558	1.9
145.10153	5.1
147.11679	13.4
149.13271	7.0
159.11784	3.7
161.13249	8.7
163.14877	6.2
173.13298	3.8
175.14825	8.7
177.16452	5.7
187.14893	3.6
189.16362	25.0
191.17978	6.2
199.14777	1.6
201.16441	4.6
203.17915	13.2
215.17970	4.2
217.19594	2.3
229.19427	2.3
233.15399	8.2
243.21193	3.6
244.68773	1.5
255.21097	1.9
257.22656	2.7
271.24213	2.3
393.35318	5.4
411.20514	2.8
411.36362	100.0
412.36700	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05524	12.1
57.07089	5.4
67.05508	22.6
69.07067	24.5
69.18784	17.2
69.19193	6.6
79.05506	14.2
81.07065	55.2
83.08630	12.1
91.05480	18.6
93.07051	44.6
95.08610	100.0
97.10184	7.3
105.07032	38.0
107.08602	65.9
107.09300	4.2
109.10159	57.0
111.08085	5.3
111.95985	2.3
117.07057	5.0
119.08587	46.8
121.10149	55.0
123.11706	22.2
131.08559	10.6
133.10143	46.9
135.11696	37.8
137.13255	8.8
145.10132	16.7
147.11685	35.1
149.13260	31.9
151.11246	6.8
157.10158	4.2
159.11696	22.1
161.13275	30.0
163.14819	41.1
163.16089	2.9
165.12839	3.3
165.16429	3.1
171.11748	6.4
172.12553	2.3
173.13278	14.5
175.14833	67.1
175.16266	4.7
177.16391	24.0
179.14330	6.2
185.13319	3.8
187.14821	19.2
189.16386	40.2
191.17978	30.2
193.15984	4.3
199.14954	4.1
201.16383	17.1
203.17964	77.7
205.19608	4.6
207.17468	13.1
213.16322	5.3
215.17944	29.5
217.19571	9.5
219.17474	3.0
221.19073	7.9
229.19623	9.8
231.21118	13.0
233.19228	5.5
243.21167	8.3
245.22743	3.0
247.20636	2.3
248.18292	2.3
255.21106	4.9
257.22684	10.5
269.22726	2.6
287.23782	3.4
323.27475	4.6
351.30588	10.5
393.35193	48.9
405.51883	2.5
411.31506	4.8
411.36346	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03937	2.0
54.36841	0.8
55.05303	0.8
55.05515	9.2
57.03424	1.1
57.07056	2.9
65.03938	1.7
67.05507	15.8
69.07069	21.6
71.08596	1.1
71.53966	0.9
74.52266	0.8
77.03902	0.8
79.05496	9.2
80.27911	1.0
81.06580	1.7
81.07058	34.1
83.04988	0.9
83.08615	7.1
86.17745	0.8
90.46329	0.9
91.05480	8.9
93.07047	25.7
95.04994	1.6
95.08608	47.8
96.36559	0.7
97.06525	2.4
97.10185	5.7
99.08092	1.1
105.07033	21.2
105.90414	0.8
107.08597	41.1
109.10158	35.4
111.08098	1.9
111.11707	4.8
117.07021	2.1
119.08578	26.3
121.10153	29.0
123.08046	1.8
123.11708	19.6
125.13317	1.7
127.45131	0.8
129.07019	0.9
131.08583	5.2
133.10124	20.5
135.11688	23.8
137.13266	8.3
143.08595	2.2
145.10115	11.2
147.11694	19.7
149.13258	17.5
151.14818	1.4
153.12761	1.4
157.10170	3.3
158.10980	0.9
159.11696	10.9
161.13252	22.2
163.14821	20.9
165.12801	0.9
171.11707	2.8
173.13261	11.5
175.14815	18.6
177.16389	9.8
179.14326	11.1
179.17972	1.2
183.11746	1.2
185.13309	3.7
187.14819	15.2
189.16373	23.0
191.14369	3.9
191.17938	5.2
193.15909	2.4
199.14864	3.3
201.16397	9.8
203.17937	11.5
205.15900	2.7
205.19556	6.6
207.17499	1.2
211.14919	1.3
213.16348	4.1
215.17966	5.7
217.19495	10.2
219.17447	2.1
219.21141	1.0
227.17943	2.9
229.19563	7.5
231.21089	12.5
233.15417	1.7
241.19531	3.4
243.21100	9.5
245.22678	10.2
247.20488	1.7
253.19414	1.4
255.21074	4.7
257.22644	12.7
259.20514	1.3
259.24240	8.4
269.22479	4.1
271.24225	7.3
273.22183	1.0
283.24136	6.6
297.25754	8.3
301.25342	3.1
309.25830	1.7
315.26758	3.9
323.27481	2.9
327.26761	1.5
337.28860	0.9
341.28458	1.0
393.35156	39.4
394.35587	0.8
399.44922	0.8
411.36295	100.0
412.36783	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01863	1.7
55.05508	1.8
56.96578	0.8
57.03432	10.1
59.04993	0.7
61.02925	2.3
67.05488	0.8
69.03430	7.3
69.07063	11.7
69.99647	2.4
70.06588	2.3
71.01349	1.2
71.04994	55.1
73.02921	5.3
75.04477	4.7
79.05466	0.9
81.03412	2.7
81.07077	1.7
83.04987	8.8
83.08621	2.0
85.02907	100.0
85.06551	2.2
87.04459	2.6
91.03917	1.3
91.05492	1.2
93.07037	1.5
95.08598	1.0
97.02897	11.5
98.20875	1.0
98.97583	2.9
99.04459	2.0
99.08110	1.5
101.06022	0.8
103.03951	1.2
109.02893	3.3
111.04418	4.7
111.08067	2.4
112.07619	1.8
115.03926	1.6
120.08127	4.9
121.06445	0.9
127.03906	9.4
129.05479	33.2
132.31532	0.7
133.04977	2.3
135.11612	0.8
137.05954	1.0
142.86232	0.7
145.04961	15.3
147.04568	0.7
147.06523	18.1
153.09125	2.4
158.99672	1.3
163.06026	7.2
164.07056	0.8
164.09238	4.6
175.14830	0.9
209.08305	0.8
219.01811	0.8
255.08676	1.4
260.77109	0.9
263.14996	2.2
273.09714	2.9
309.11923	2.2
354.15994	1.3
378.15683	0.8
412.16187	3.5
412.20221	3.8
413.21616	1.3
429.18091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19872	0.7
51.58767	0.7
52.06466	0.7
55.05518	2.0
56.96560	1.5
57.03446	1.0
59.05002	1.1
61.02907	0.8
69.03423	2.3
69.36902	0.6
70.06579	0.7
70.53292	2.1
71.05003	2.1
72.56683	0.7
74.06092	0.8
81.07080	1.2
82.42446	0.8
83.04980	2.0
83.08622	3.3
84.05331	0.8
85.02910	7.3
89.06031	0.8
97.02909	3.7
98.06047	2.1
98.97609	2.5
101.06018	1.6
101.09694	1.7
109.02888	1.3
110.06039	4.7
112.07619	0.8
119.04929	0.9
119.10693	1.3
120.06582	1.7
121.02885	2.3
122.06017	1.7
123.04465	0.8
124.07606	4.4
127.03933	2.4
128.04294	0.9
136.06194	26.1
136.07457	1.3
136.07640	1.3
137.05992	1.0
140.07069	4.5
142.08643	7.9
143.00189	0.7
145.04962	1.5
147.04434	1.1
148.04813	0.7
150.07791	5.9
153.01860	2.4
154.08650	4.8
158.99733	0.9
162.04121	13.3
163.03937	1.6
164.07088	1.6
167.07074	0.8
168.10800	0.8
182.99672	0.9
219.01785	0.8
237.02655	1.1
245.10387	1.2
246.10655	1.0
251.09009	1.0
251.13940	2.6
253.15366	0.7
281.09970	14.1
348.48206	0.8
413.10507	100.0
413.14294	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.88813	0.4
51.86900	0.4
56.05036	0.5
69.03428	0.8
69.81149	1.4
69.81564	0.8
73.02879	0.4
73.87844	0.3
74.06093	2.2
83.08556	0.4
85.02895	1.3
97.02905	0.4
98.06064	0.8
98.20795	0.4
98.97591	0.5
102.05542	1.3
110.06040	2.4
112.07568	0.4
119.03542	2.9
120.05750	0.6
120.06580	9.3
121.02869	0.5
124.07581	1.4
127.03973	0.5
133.74446	0.4
136.06195	100.0
137.04565	1.1
140.07056	0.9
142.08629	3.2
152.07074	0.3
154.08611	1.7
162.04124	62.0
163.03880	0.5
184.07471	0.4
238.05424	0.4
251.13992	1.3
268.10489	1.1
281.09949	54.0
282.10199	0.5
348.62863	0.4
413.09113	0.7
413.14191	12.2
431.48312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.27582	0.3
53.37109	0.3
55.05494	0.5
56.96557	0.8
57.03446	0.3
66.56075	0.3
67.05505	0.6
69.03429	0.9
69.07070	1.8
70.06572	0.7
71.38770	0.6
72.16681	0.3
72.92426	0.3
73.02905	0.7
78.67110	0.3
81.03400	0.9
81.07049	0.4
85.02901	2.9
85.06541	0.7
93.07036	0.5
95.04969	0.5
97.02885	1.7
98.97586	2.0
105.07059	0.5
109.02868	0.4
116.98638	0.6
122.05952	0.3
124.07551	0.5
127.03945	1.6
128.98618	0.4
133.06459	0.4
136.06169	0.6
136.07620	0.6
139.03931	0.4
140.07065	0.4
145.04958	0.7
151.07449	0.4
151.14560	0.3
153.01813	0.9
158.99687	0.9
161.02975	0.5
161.06033	0.7
163.03902	0.5
164.07054	0.3
189.09105	0.4
193.08632	0.5
201.00665	0.5
208.56430	0.4
210.06599	0.6
210.27373	0.4
219.01804	0.8
237.02957	0.5
291.03830	0.6
395.20029	0.5
413.21478	100.0
414.21951	1.4
419.12149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.36485	0.3
56.96551	0.4
63.18755	0.3
67.05491	0.4
68.22198	0.3
69.03420	0.5
69.07073	1.2
70.06596	2.6
71.04967	0.4
71.46168	0.5
73.02895	0.5
76.09564	0.3
81.03415	0.4
82.52626	0.3
85.02898	1.9
93.07044	0.3
93.32497	0.3
94.78561	0.3
97.02901	0.7
98.97575	1.1
99.04481	0.4
105.07011	0.4
109.02880	0.5
112.07597	1.4
113.07955	0.4
120.08092	1.0
121.08411	0.6
123.04474	0.3
123.05746	0.3
124.01280	0.3
124.07629	0.3
127.03944	0.5
133.10106	0.6
140.07048	1.3
143.08450	0.4
145.05011	0.4
145.10150	0.3
165.09171	0.3
182.08183	0.3
189.09143	1.7
193.08554	0.4
219.01942	0.4
231.10196	0.3
233.13046	0.4
251.13905	0.6
251.16301	0.3
335.26108	0.3
390.90405	0.3
413.21478	100.0
414.21674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
57.07074	0.5
67.05502	1.2
69.03429	1.1
69.07063	0.8
69.64440	0.4
70.06399	0.9
70.06742	0.5
74.63149	0.4
81.07058	1.2
82.06576	1.6
83.04987	1.9
83.08636	4.2
85.02896	0.9
91.05487	0.5
93.07037	0.7
95.08632	0.7
97.02890	0.5
97.06545	0.7
97.91204	0.4
98.76275	0.5
98.97591	0.5
100.07619	1.8
100.11266	13.9
105.07014	0.5
107.08588	1.1
109.10106	0.7
110.06034	1.1
111.04450	3.2
112.07591	0.9
119.08552	0.6
121.02846	0.4
121.10105	0.7
128.07101	2.3
131.08617	0.6
133.10152	0.7
135.11713	0.6
137.06004	1.1
140.07101	1.1
141.11511	2.1
147.04280	0.5
149.09560	0.6
150.21140	0.5
151.03911	0.5
155.11220	1.4
161.09668	0.5
182.15436	8.3
199.18076	1.5
203.05295	1.5
204.66525	1.3
209.16469	2.5
210.14922	11.4
210.16972	0.7
211.15242	0.6
217.08736	0.8
218.66257	1.0
226.19173	0.7
227.17567	1.5
228.16013	2.0
233.15366	1.5
245.18620	1.2
251.12570	1.3
251.16222	1.1
268.21429	2.8
268.71793	0.6
271.13940	0.5
276.72739	0.8
280.14374	0.9
282.19479	1.3
289.14771	0.6
326.28107	1.9
331.74664	7.3
332.24860	1.2
336.22809	0.5
337.21173	1.0
340.25891	0.6
340.75198	3.7
369.11032	0.8
389.31705	0.5
395.20404	2.5
395.27783	1.8
404.28134	2.2
413.21494	100.0
414.22049	1.4
435.33350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2153
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.73040	0.4
53.03933	0.7
55.01857	0.5
55.05510	0.6
56.41481	0.4
56.96552	0.5
57.03429	0.7
57.27771	0.4
60.85613	0.4
67.05496	0.9
69.03438	2.3
69.07065	0.9
70.06587	0.8
71.04954	0.7
71.05299	0.9
79.05471	1.0
81.03438	0.8
81.07078	2.1
83.04968	0.9
85.02904	2.6
91.05478	1.2
93.07035	1.7
95.04956	1.1
95.08588	1.4
97.02907	1.0
97.06538	0.9
98.97626	0.7
99.04443	0.7
105.07024	2.1
107.04934	0.6
107.08587	1.7
109.02872	1.5
109.06502	0.8
109.10161	0.8
111.08099	0.4
112.99092	0.4
113.05959	0.5
116.98568	0.4
119.08575	1.3
121.06502	0.9
121.08405	0.4
121.10131	1.2
123.04463	0.6
123.08089	0.6
123.11710	0.8
127.03907	1.4
131.04945	0.9
131.08609	0.7
133.02835	0.8
133.10110	1.3
133.13004	0.4
135.08055	0.7
135.11684	0.7
136.07607	0.6
137.05930	1.8
137.09628	1.0
139.11186	0.5
145.10110	1.2
147.04362	0.7
147.08070	0.5
147.11679	0.6
149.09628	0.7
149.34642	0.3
151.03929	1.3
153.05580	0.4
159.11629	0.5
161.09573	0.6
162.02060	0.4
163.11153	0.8
165.05472	0.7
165.09032	0.4
167.07010	0.5
169.10193	0.5
171.11671	0.4
173.13246	0.6
175.07509	0.6
176.80380	0.4
187.11224	0.4
187.14818	0.4
187.70500	0.4
191.07066	0.7
191.14322	0.8
203.05299	1.1
203.07027	0.9
205.12242	0.6
215.14330	0.7
217.08519	0.9
219.01776	0.5
221.08162	0.8
233.15350	2.3
251.09164	0.5
251.16338	3.7
262.10483	0.5
273.52179	0.4
274.29257	0.4
293.08047	0.5
309.07510	0.4
324.09830	0.6
325.15771	0.5
339.12329	1.6
353.13849	1.0
365.13669	1.0
369.10898	4.5
382.14175	0.9
413.17068	4.6
413.21460	100.0
414.21747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2165
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
55.05517	0.5
55.30017	0.4
55.33106	0.4
65.03940	2.3
67.05511	4.8
69.03423	1.5
69.07051	0.7
69.18639	0.9
69.19054	3.7
70.06599	0.8
71.04969	1.2
72.69285	0.5
73.02885	0.5
79.05479	0.9
79.93175	0.4
80.07821	0.4
81.03409	1.0
81.07034	0.8
83.04984	11.6
85.02908	2.3
85.06513	0.5
87.04436	0.5
91.05494	0.7
93.07030	0.6
95.04969	100.0
95.08656	0.5
97.02889	0.9
98.97567	0.5
105.07019	1.1
109.02879	0.5
111.04499	0.5
113.06006	12.8
115.04012	0.5
119.08594	0.9
121.10124	0.8
131.08562	0.6
134.60910	0.5
137.05978	1.1
145.04916	0.8
149.09666	0.6
151.03908	0.5
151.11191	0.7
153.01804	0.5
167.07057	0.7
169.34265	0.5
233.15388	1.4
251.12938	0.9
251.16283	1.5
257.10406	0.7
257.86337	0.6
289.10159	1.0
313.94046	0.5
395.07739	1.0
413.21478	62.1
414.21814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3055
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
53.03924	1.2
54.69338	1.1
55.05511	3.1
56.96568	1.5
57.03433	1.3
67.05512	8.4
69.03421	2.0
69.07063	5.1
71.04996	1.4
75.22757	1.1
79.05493	4.6
81.03404	1.3
81.07057	9.5
85.02924	2.0
85.06538	1.2
91.05491	5.2
93.07052	12.2
95.04987	1.8
95.08620	13.6
97.06525	2.1
97.10225	1.4
98.97559	1.2
104.07139	1.1
105.07039	10.2
107.08602	15.9
109.06520	1.8
109.10154	9.5
111.11710	1.2
119.07795	2.2
119.08592	25.1
120.68194	1.1
121.10169	23.2
123.08087	1.6
123.11717	3.9
131.08589	3.8
133.10156	15.7
135.11708	17.0
137.09631	1.9
137.13284	2.2
143.08620	1.2
145.10155	8.8
147.11713	10.6
149.13274	4.1
149.88094	1.0
151.11212	2.5
157.10104	2.0
159.11667	4.4
161.13277	3.4
163.11186	9.2
163.14828	3.1
166.51505	1.1
173.13290	2.2
175.14821	2.5
177.12679	1.5
187.14857	3.3
189.12698	1.5
189.16405	32.5
191.10701	38.1
192.10983	1.4
203.14186	1.4
203.17896	1.3
207.13777	1.5
207.17464	37.4
209.11743	5.6
213.16389	1.3
219.13765	2.5
229.04179	1.2
229.07494	3.5
247.08543	1.9
290.04074	1.2
377.27954	1.5
395.29480	3.5
413.30505	100.0
414.30777	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	413.3781
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
53.03949	1.4
55.01870	1.3
55.05252	1.8
55.05505	14.0
56.96555	2.4
57.03426	2.5
57.07066	5.2
59.04993	2.0
61.02922	1.9
67.05504	25.7
69.03434	2.0
69.07072	24.9
71.04556	2.2
71.04967	2.3
71.08631	2.0
77.46394	0.9
79.05063	1.3
79.05492	14.2
81.03410	1.5
81.07056	64.7
82.62218	1.0
83.04949	1.0
83.08622	14.3
85.02912	1.6
85.06530	2.0
91.05476	8.3
93.07046	39.6
93.07639	2.1
95.04975	1.5
95.08606	100.0
97.02867	1.1
97.06508	2.3
97.10168	10.5
99.04494	1.3
105.06313	1.2
105.07027	19.2
107.08595	59.5
108.53475	1.2
109.06515	2.2
109.10157	66.8
111.08090	3.6
111.11714	5.8
119.08579	21.0
121.10142	50.9
123.08070	2.6
123.11705	35.9
125.09646	3.7
125.13272	1.9
131.08592	2.8
133.10127	19.3
135.11688	28.9
137.09593	1.1
137.13251	15.4
139.11179	1.9
140.10719	2.1
141.10986	1.1
143.08614	2.2
145.10130	3.8
147.11682	17.2
149.13257	42.5
151.11212	2.6
151.14772	6.0
153.12720	2.3
159.11745	3.7
161.13264	17.1
163.14821	44.1
165.12807	7.3
165.16426	3.3
169.10132	1.4
173.13261	2.9
175.14819	12.6
177.16382	48.0
179.14282	7.5
179.17882	4.8
185.13275	1.0
187.14877	4.5
189.16382	18.0
191.14313	1.5
191.17953	22.8
191.19594	1.5
193.15904	2.2
193.19540	3.3
199.06567	0.9
201.16385	1.4
203.17957	33.6
205.15906	1.6
205.19551	9.4
207.17397	4.5
215.17854	1.7
217.19510	17.1
219.21121	2.3
221.19019	3.0
229.07443	2.4
231.21095	4.9
233.22650	2.4
235.20558	4.3
245.22705	2.1
247.08582	1.8
247.24263	5.8
249.22452	1.1
257.22623	1.3
259.24374	1.4
271.24277	1.3
283.08603	1.2
285.10181	1.2
299.11713	1.7
299.27289	1.4
301.28970	2.5
311.27551	1.1
328.13550	1.3
395.36798	30.0
413.30823	3.0
413.37839	80.9
414.37909	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	414.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01860	1.8
56.96555	1.8
57.03426	2.7
57.86918	0.9
59.05000	1.0
61.02933	2.0
69.03440	7.8
69.07062	0.9
71.04973	2.3
71.53072	1.1
73.02920	3.3
74.54095	0.9
81.03406	3.4
83.04977	2.3
84.96037	0.9
85.02914	20.4
85.06546	5.0
86.09687	3.0
87.04458	3.1
91.03966	1.2
97.02908	9.5
98.97596	5.9
99.04447	1.6
109.02876	3.9
109.56358	1.0
115.03966	2.5
116.98644	0.9
119.39506	0.9
120.02717	0.8
121.06487	0.9
123.04451	0.9
127.03938	6.0
128.98674	1.2
133.04970	3.6
145.04990	9.1
146.06136	1.1
147.04436	1.7
147.06793	5.1
148.07530	1.9
153.01906	1.2
158.99754	1.4
160.07607	1.8
163.06071	2.1
170.06062	1.5
174.05557	2.1
175.06306	25.2
176.07103	4.1
186.05534	4.1
188.07083	52.8
199.09587	2.1
204.06583	98.7
216.04694	1.7
216.06606	21.0
217.10616	1.4
219.01833	3.6
229.10712	2.3
234.07631	53.3
235.11708	1.5
237.02849	2.1
249.30759	1.2
252.08704	100.0
303.09222	1.2
374.18716	1.0
396.12936	1.2
414.13892	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84779	1.0
53.03942	1.4
55.01878	13.3
56.96561	1.3
57.03441	23.8
57.07067	2.5
59.05009	2.2
60.04525	1.7
61.02925	14.0
67.05514	1.4
69.03431	35.8
70.06590	5.3
71.01359	4.5
71.04990	2.1
71.16749	0.9
71.54701	1.4
73.02924	41.3
75.04469	1.4
81.03423	8.5
81.07060	1.4
83.04970	1.4
84.04478	1.2
85.02911	100.0
85.06545	5.6
86.03248	1.3
86.09726	1.2
87.04493	6.2
91.03960	6.3
96.04523	1.1
97.02896	51.1
97.06544	1.1
98.06045	1.6
98.97591	2.9
99.04475	6.0
103.03959	4.2
109.02885	7.8
110.06018	1.2
112.07616	4.1
115.03934	29.4
116.07069	1.1
123.04465	1.3
124.07545	1.6
126.05497	1.5
127.03923	32.2
132.06604	4.4
133.04973	43.0
133.05978	2.1
136.07571	3.5
138.53450	1.0
140.07071	3.7
144.06578	2.9
145.04970	60.3
147.04446	1.2
150.07666	5.8
151.98935	1.1
153.01831	1.2
154.68773	1.1
162.07663	2.2
163.06036	16.1
164.07059	4.3
166.04895	2.1
180.08719	6.4
193.05070	1.1
205.10915	1.5
217.10773	1.1
223.06015	2.9
229.07294	2.2
241.07059	5.7
247.11780	4.5
252.12273	1.9
259.08157	6.6
265.12854	2.4
277.09225	1.5
414.17172	11.0
414.21866	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	414.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
55.05515	35.1
56.96563	11.5
57.03423	16.6
59.05012	43.0
61.02923	10.9
64.16518	4.9
69.03433	57.5
69.61818	16.2
69.62226	15.6
70.06583	15.2
71.04958	6.0
72.08154	11.8
73.02923	10.1
73.06552	10.0
81.03429	31.8
83.04988	53.7
84.04479	4.7
85.02434	7.3
85.02913	97.5
85.06544	8.7
87.04473	8.8
89.06041	31.7
90.09219	10.0
95.04939	8.5
97.02905	89.3
98.06056	13.9
98.97607	24.9
99.04465	13.8
101.06026	100.0
109.02888	32.4
110.06070	12.0
110.97629	6.8
112.07640	6.7
116.07133	7.0
116.98611	9.9
118.49802	5.7
119.07079	44.3
124.03937	6.2
124.07580	14.0
127.03915	66.9
128.98653	5.3
129.09160	6.6
135.06485	12.6
136.06200	7.4
136.07573	6.6
137.05981	12.5
137.50571	5.6
140.07056	5.9
142.08643	16.9
143.37830	7.4
145.04968	64.5
153.01826	15.9
154.08664	7.2
155.09003	5.1
159.07993	5.2
163.03908	25.5
165.09113	9.1
173.11417	5.2
184.07466	5.8
187.05975	7.6
219.01820	9.3
227.09105	13.6
237.02776	6.8
244.74896	5.3
245.10228	55.8
252.12250	14.7
263.11261	24.8
270.09729	8.5
317.12271	8.7
324.12256	8.3
328.10031	5.6
339.11127	13.2
343.14035	7.7
361.15317	6.3
414.13464	86.2
415.15802	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	415.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01871	2.8
55.05504	1.3
56.96566	3.9
57.03440	2.7
58.99857	2.0
61.02928	3.5
65.62811	1.0
69.03432	11.2
69.07056	1.7
69.79234	1.0
70.00951	4.9
70.06594	1.3
73.02917	3.0
77.00904	1.2
81.03419	5.5
82.99863	2.5
85.02914	25.4
86.09712	10.6
87.04497	1.9
91.04005	1.5
94.99878	1.3
97.02898	19.3
98.20824	1.9
98.97587	11.2
99.04445	1.1
99.05586	1.7
101.00880	15.9
109.02891	6.7
109.04053	1.0
110.02444	1.1
113.00877	5.6
115.02466	2.7
116.98645	2.8
119.01936	27.6
124.07716	1.0
127.02451	5.9
127.03934	6.7
128.98607	2.2
131.01918	16.2
132.10231	2.7
133.03424	2.5
136.07571	1.8
137.00897	1.2
137.01974	1.3
137.02956	2.9
138.67204	1.2
139.02420	2.4
143.01920	11.1
145.03488	20.5
145.04976	4.3
147.01392	1.2
149.02946	1.5
152.07077	1.5
153.01845	16.2
153.02992	1.3
155.01904	14.4
156.02711	1.6
157.03479	11.4
158.99673	2.9
159.01414	2.0
161.02971	19.4
162.03075	1.1
163.04602	3.5
163.06039	1.0
167.01935	4.6
169.03508	4.6
171.01372	1.4
173.02994	15.4
175.04527	2.9
177.00809	1.5
178.06062	1.2
179.01976	2.7
181.03447	1.9
183.01471	1.4
185.02971	24.8
187.04515	4.4
191.01912	1.1
192.99911	4.1
195.05125	1.3
197.02959	13.4
199.04607	1.7
203.03992	13.4
209.02985	3.3
211.00876	29.0
211.04361	2.2
215.04089	3.2
217.03770	1.6
219.01791	4.0
221.03131	2.5
221.05037	10.3
223.04625	3.3
223.08124	1.3
224.82117	1.0
226.49193	1.1
227.04044	6.9
227.07523	1.2
229.01976	12.0
235.00894	4.1
235.04649	2.0
235.06979	1.5
237.02640	4.6
239.03954	2.4
245.05107	79.3
246.05353	1.7
247.00909	1.7
247.03000	16.0
247.05092	1.8
249.02551	2.1
253.01895	10.4
253.05746	2.1
253.08101	1.4
253.12532	1.5
255.03714	1.8
257.01001	1.2
257.05121	1.9
261.02579	2.5
263.01660	1.4
263.03949	2.9
263.06244	18.1
265.01996	2.4
267.03543	1.4
271.03052	14.6
271.05939	1.6
273.04471	1.5
274.97488	1.4
277.03625	7.0
279.03421	2.5
283.06390	2.2
284.12476	1.9
285.04575	3.2
289.01782	1.8
295.03049	7.5
297.04608	4.5
303.01248	5.2
307.03098	15.2
309.04529	1.2
311.06317	5.9
313.03961	5.6
315.05609	2.6
325.03946	5.3
334.05307	1.2
337.04059	7.7
355.05093	100.0
356.05069	1.7
363.12885	1.8
369.70544	1.3
373.06165	43.9
379.01703	1.7
380.15396	1.7
396.07712	3.4
415.02237	1.3
415.10025	7.4
433.10361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1004
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
57.57856	3.3
69.03414	4.4
69.46391	24.8
69.46782	5.9
77.98389	3.2
85.02895	9.4
100.50779	3.2
104.07123	3.1
141.33426	3.2
141.61221	3.2
145.04971	4.3
191.85721	3.3
250.28596	3.5
275.72617	4.8
415.10022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	14.3
57.03428	4.3
61.02916	4.1
67.97953	2.8
69.03432	15.5
69.07073	4.8
71.53147	3.9
73.02918	5.7
79.38004	3.0
80.84281	2.7
81.03404	5.3
84.96040	3.0
85.02902	37.3
85.03690	2.7
85.78696	3.1
86.09698	11.0
97.02917	16.2
98.97586	73.1
101.00873	9.3
109.02896	7.3
110.97586	13.2
113.00924	3.6
114.19935	2.8
116.98634	22.9
119.01911	10.5
123.04349	3.9
125.03491	5.1
127.03899	12.2
128.98613	10.0
131.01987	6.7
134.99622	3.1
137.05980	5.2
143.00218	4.0
143.01880	4.7
145.03488	8.3
145.04980	9.5
146.99625	3.4
147.04398	4.7
152.05702	3.2
153.01782	15.0
155.01924	5.3
155.85468	2.7
157.03488	7.1
158.99698	19.4
161.02969	10.0
170.99728	4.3
173.03009	5.7
177.00754	9.9
185.02969	10.8
187.04663	3.4
189.00827	4.9
197.02885	5.7
201.00546	3.6
203.04030	8.0
211.00896	12.1
219.01714	22.8
221.04999	6.8
223.04761	2.9
227.07080	3.4
235.02827	3.7
237.02672	20.2
241.04013	3.5
244.06227	4.1
245.05080	19.9
247.03088	5.7
251.02245	5.5
253.01833	7.5
253.04013	7.6
253.12503	4.9
263.06232	3.9
269.03406	12.7
271.03030	6.1
277.03702	10.4
295.05173	3.6
303.01315	4.4
307.02859	6.9
311.04236	8.2
355.04837	32.0
373.06061	23.1
380.15622	4.1
415.09872	100.0
433.10236	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
56.96564	21.7
57.03423	6.6
59.05005	4.5
61.02902	4.4
69.03429	15.3
71.05001	4.9
71.53094	6.4
81.03427	5.7
84.96030	8.0
85.02903	28.0
86.09700	11.7
89.06019	13.8
97.02902	13.0
97.96810	5.4
98.97586	100.0
99.04460	5.5
101.06006	8.2
110.97554	30.6
112.99129	8.5
113.56668	4.4
116.98627	34.3
117.01981	5.2
119.01808	5.4
119.88791	4.2
125.03448	5.9
127.03928	11.2
128.98590	33.2
130.67331	4.4
131.04964	4.3
134.99644	6.3
137.06050	4.0
143.00108	7.6
145.04890	5.6
146.99672	11.5
147.04399	4.8
150.05516	4.3
152.04500	6.6
153.01813	8.9
153.02934	5.6
158.99669	12.9
161.01221	5.9
164.06854	3.9
170.99673	8.8
175.06259	4.7
177.00671	5.6
189.00777	6.2
189.07405	9.5
201.00665	5.1
204.06606	5.0
205.06990	9.3
219.01756	73.5
226.01389	5.5
227.06784	19.7
235.02734	14.2
235.07933	7.5
237.02844	85.1
238.11763	4.6
241.03864	12.3
252.08644	6.2
253.03807	13.4
253.08972	20.1
254.46051	4.6
260.04510	6.4
263.04318	9.6
263.10242	6.9
271.04849	5.9
284.12506	12.1
337.05945	7.7
355.07184	5.3
367.06854	17.6
385.07968	12.6
397.08267	7.1
415.09567	81.7
433.09903	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	415.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
59.73881	1.8
68.99777	2.3
69.03427	4.6
69.07048	3.4
69.30811	17.8
79.05470	5.9
81.07032	7.4
85.02880	5.6
86.09686	2.2
91.05470	6.9
93.07029	2.7
94.39259	2.0
95.08586	2.3
97.06518	2.4
98.21581	2.5
103.05443	2.7
105.07041	4.1
107.04931	4.3
107.08598	3.4
109.06509	4.6
111.04460	4.2
119.04971	3.6
119.08550	2.9
121.06474	2.3
121.10147	3.4
122.03582	2.3
123.08086	10.9
125.05915	2.1
127.03890	2.6
128.06216	2.9
129.06976	4.9
131.04880	3.8
131.08560	5.4
133.10081	2.9
137.05972	57.6
137.09567	2.8
142.07809	3.1
144.05618	2.6
145.06459	3.3
147.07999	2.6
149.06012	3.2
151.03900	2.0
151.07495	9.3
153.01810	9.5
155.08530	3.2
157.06459	2.3
158.07199	2.3
159.08109	2.7
161.05948	9.2
161.09628	3.4
165.06898	2.6
167.07019	7.0
167.10681	7.9
169.06404	2.2
171.08034	2.2
172.08824	3.9
173.09589	2.3
175.07535	6.3
177.05464	2.4
181.05034	3.4
181.06483	3.1
182.07237	6.5
183.08101	4.2
184.08777	2.9
184.34004	2.0
185.09615	11.8
187.07547	5.2
187.11153	3.6
189.09128	2.4
189.12694	2.9
191.07024	7.6
195.06538	3.8
195.08113	4.3
197.09555	9.5
198.06706	12.9
199.07533	8.7
200.08441	2.1
201.09134	3.9
205.08614	3.5
207.02829	2.6
210.06746	4.8
211.07597	2.7
212.08253	2.5
213.09146	22.5
215.10646	5.7
217.04926	3.5
217.08482	2.5
225.09088	10.7
229.08504	2.8
231.10208	2.5
235.16858	3.2
243.10155	23.0
245.11705	3.0
253.17819	2.2
255.10095	4.6
261.08786	2.4
261.11310	2.8
265.14981	2.1
273.11212	63.6
277.08658	2.4
289.12274	2.1
293.11554	1.8
294.71573	2.4
303.10217	2.5
305.11743	3.4
307.09665	4.1
317.11569	2.7
319.09726	2.7
321.11142	4.0
334.11957	2.3
335.12515	2.3
339.12280	2.3
349.14395	4.5
351.12241	5.3
353.13593	3.3
354.14493	8.4
367.15317	5.9
371.07516	20.4
379.15494	4.0
397.16479	100.0
398.16910	2.8
415.10168	18.1
415.14914	4.0
415.23499	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	415.2305
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
55.05505	0.4
69.07047	0.5
69.64322	1.9
71.04985	0.3
81.03404	0.4
81.07043	0.9
83.05005	0.3
85.02883	0.7
89.52744	0.3
93.04841	0.3
93.07038	0.6
95.08595	0.4
97.02866	0.5
98.20838	0.4
105.07047	0.4
107.08578	0.7
109.10184	0.5
131.08601	0.4
133.10210	0.3
137.05974	0.7
153.01834	0.7
167.07109	0.5
195.06468	0.8
203.05344	0.7
206.67328	0.3
228.15367	0.3
235.13376	0.4
235.16959	0.5
253.17773	1.4
274.04227	0.3
371.07547	1.0
385.21204	1.0
397.09119	0.3
397.21796	0.7
415.23019	100.0
416.23444	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	415.3206
Annotation	Griffinisterone C
Peak:m/z	Relative Intensity
53.13462	3.5
54.17171	3.4
54.64767	3.6
55.05511	10.3
56.00812	3.9
63.93052	4.5
65.03946	4.5
67.05498	13.1
69.07063	16.9
69.46749	10.5
69.47166	22.7
79.05495	12.7
81.07060	36.1
83.08625	7.2
91.05486	17.4
93.07030	33.5
95.08612	82.7
97.10131	4.9
99.04488	4.1
105.07040	34.8
107.08598	52.6
109.10157	45.9
117.07023	7.0
119.08594	100.0
121.10155	38.9
123.10912	3.5
123.11701	24.4
130.03653	4.5
131.08586	6.0
132.88831	4.1
133.10115	30.6
135.11664	32.3
137.13263	4.8
145.10110	15.9
147.11694	33.6
149.13289	11.8
159.11662	22.4
161.09596	4.1
161.13258	20.8
163.11287	4.7
163.14824	14.1
171.11682	7.6
173.13252	7.3
175.11182	9.5
175.14912	8.7
177.12843	6.5
177.16422	4.8
187.14792	6.8
189.12755	10.3
189.16351	27.3
191.17963	59.6
193.12263	7.6
201.16397	7.6
203.14214	6.9
203.17931	15.7
207.17479	18.0
213.16463	5.6
217.19609	11.9
331.72504	4.5
379.30063	15.1
397.30942	62.9
397.34872	4.7
415.31955	89.5
415.36453	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	415.3212
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.05511	1.2
59.04922	0.7
60.91084	0.6
62.88654	0.6
67.01105	0.6
67.05498	2.9
69.03416	0.8
69.07074	2.5
69.69085	1.8
69.69477	1.4
79.05499	2.1
81.07064	4.8
83.08635	1.1
91.05471	3.2
93.07047	6.8
95.08618	8.3
97.06564	1.0
97.10160	0.7
105.07046	5.5
106.94817	0.7
107.08604	9.8
109.10169	6.0
111.08140	0.7
119.08588	18.3
119.09366	1.4
121.10158	6.7
123.08107	1.5
123.11729	2.3
131.08601	2.6
133.10150	9.6
135.08047	0.7
135.11700	6.1
137.13249	0.9
143.08536	1.6
145.10150	6.0
147.11696	6.9
149.13310	3.2
153.80154	0.6
156.70029	0.7
157.10164	1.4
159.11697	5.0
161.13303	4.4
165.12753	0.9
169.10104	0.9
171.11723	1.7
173.13304	3.8
175.11205	2.8
175.14842	3.1
177.12781	2.0
177.16443	1.4
178.62094	0.6
179.14417	1.2
183.11740	1.2
185.13275	2.0
187.14874	2.2
189.12743	1.2
189.16385	5.0
191.14314	1.8
191.18060	0.7
193.12216	0.8
197.13297	1.0
199.14899	2.0
201.12701	0.9
201.16418	5.6
203.14348	2.7
203.17992	2.1
207.17477	2.1
213.16248	0.8
215.18054	2.0
217.15965	1.0
219.17511	0.9
225.16466	1.2
239.18187	0.8
243.17502	2.5
257.19211	0.7
334.24716	0.9
352.25729	1.7
361.29062	1.3
379.30096	2.7
397.31027	2.8
415.32132	100.0
416.32520	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05505	3.3
57.07054	1.8
65.63926	1.5
67.05491	5.2
69.03408	4.0
69.07059	4.0
70.04071	3.2
70.08014	3.4
70.08406	3.5
71.04996	10.3
78.04700	1.7
79.05486	10.6
81.07051	12.2
83.04981	1.7
83.08589	2.8
84.08159	4.3
85.02899	6.5
91.05508	8.1
93.03423	1.6
93.07063	9.7
95.04976	3.8
95.08599	11.1
97.02889	1.6
97.06536	2.7
99.08077	4.0
103.05475	8.3
105.07020	15.8
106.04160	2.3
107.04966	10.6
107.08585	11.1
109.10167	6.3
110.03687	1.8
115.05476	3.2
117.07015	5.2
119.08581	6.5
121.10143	6.0
123.04424	7.2
123.11636	2.1
124.05232	3.4
124.86509	1.6
125.06004	1.6
125.09645	10.5
127.05456	1.8
127.07581	2.1
127.11174	2.2
131.04935	5.4
131.08574	5.2
133.06467	1.5
133.09119	1.8
133.10138	29.5
135.11606	1.6
138.44472	1.4
143.10652	10.0
145.06474	6.7
145.10127	5.5
147.11665	5.1
148.05211	1.9
149.13263	8.7
151.03912	1.9
151.11229	2.0
152.04689	3.2
153.05385	1.7
155.06012	2.0
159.11710	5.0
161.05974	1.5
161.13316	3.3
163.07556	3.1
163.47989	1.5
167.07050	100.0
167.14299	19.1
173.05968	14.9
181.04962	49.2
191.07101	15.0
193.30916	1.6
195.06573	3.4
201.16417	3.9
205.08597	4.2
217.08670	2.3
219.17467	18.9
233.08099	6.8
235.09666	4.6
237.18500	2.8
255.09024	2.6
308.34106	1.5
387.14462	14.2
393.67639	1.9
399.14182	3.5
417.15472	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	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05505	3.3
57.07054	1.8
65.63926	1.5
67.05491	5.2
69.03408	4.0
69.07059	4.0
70.04071	3.2
70.08014	3.4
70.08406	3.5
71.04996	10.3
78.04700	1.7
79.05486	10.6
81.07051	12.2
83.04981	1.7
83.08589	2.8
84.08159	4.3
85.02899	6.5
91.05508	8.1
93.03423	1.6
93.07063	9.7
95.04976	3.8
95.08599	11.1
97.02889	1.6
97.06536	2.7
99.08077	4.0
103.05475	8.3
105.07020	15.8
106.04160	2.3
107.04966	10.6
107.08585	11.1
109.10167	6.3
110.03687	1.8
115.05476	3.2
117.07015	5.2
119.08581	6.5
121.10143	6.0
123.04424	7.2
123.11636	2.1
124.05232	3.4
124.86509	1.6
125.06004	1.6
125.09645	10.5
127.05456	1.8
127.07581	2.1
127.11174	2.2
131.04935	5.4
131.08574	5.2
133.06467	1.5
133.09119	1.8
133.10138	29.5
135.11606	1.6
138.44472	1.4
143.10652	10.0
145.06474	6.7
145.10127	5.5
147.11665	5.1
148.05211	1.9
149.13263	8.7
151.03912	1.9
151.11229	2.0
152.04689	3.2
153.05385	1.7
155.06012	2.0
159.11710	5.0
161.05974	1.5
161.13316	3.3
163.07556	3.1
163.47989	1.5
167.07050	100.0
167.14299	19.1
173.05968	14.9
181.04962	49.2
191.07101	15.0
193.30916	1.6
195.06573	3.4
201.16417	3.9
205.08597	4.2
217.08670	2.3
219.17467	18.9
233.08099	6.8
235.09666	4.6
237.18500	2.8
255.09024	2.6
308.34106	1.5
387.14462	14.2
393.67639	1.9
399.14182	3.5
417.15472	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	417.3364
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
55.05501	19.5
57.07082	6.9
64.09393	4.0
67.05505	32.4
69.07068	28.2
71.04966	5.5
71.53694	3.9
71.54151	6.0
79.05508	20.7
81.07059	59.4
83.08627	15.5
87.20724	3.9
90.65379	3.5
91.05473	19.2
93.07047	46.0
95.08606	100.0
97.06561	5.2
97.10147	7.9
98.98435	4.4
99.04444	5.4
101.05956	6.1
105.07056	35.7
107.08596	81.7
109.06484	7.7
109.10157	55.3
113.24950	3.8
118.80843	4.1
119.08587	56.3
121.10143	71.7
123.08016	6.7
123.11710	37.8
131.08594	8.6
133.10143	40.9
135.08020	9.1
135.11690	94.8
137.13245	6.8
143.63205	4.3
145.10107	17.2
147.11676	41.7
149.09583	4.1
149.13290	23.6
151.11249	5.4
153.09111	6.1
155.01077	7.8
159.11681	37.1
161.13258	26.8
163.11237	6.6
163.14801	35.1
171.11594	5.6
173.13217	17.5
175.14813	11.5
177.12727	17.1
177.16396	10.9
181.12265	7.0
183.11768	6.0
187.14845	7.4
189.16376	19.2
191.14273	11.0
191.17963	69.1
195.13765	31.2
201.16446	9.9
203.14249	5.9
203.17979	27.1
205.19586	6.2
207.13795	11.3
209.15375	20.7
209.34877	4.7
217.19514	15.8
219.17508	4.4
221.35413	4.3
251.17805	4.6
263.20102	5.1
293.22574	6.5
363.30298	6.0
381.31635	32.1
399.28564	5.0
399.32703	57.2
417.31522	30.6
427.62595	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	417.3368
Annotation	stachsterol
Peak:m/z	Relative Intensity
52.98795	3.7
55.05504	6.1
67.05504	21.1
69.07066	15.4
70.18478	11.4
79.05499	11.0
81.07059	33.7
83.08598	7.5
85.06538	8.7
91.05476	14.0
93.07053	33.4
95.08613	63.9
97.06573	9.6
105.07066	30.7
107.08598	52.3
109.10165	54.5
111.08083	4.8
119.08599	47.8
121.10159	50.9
123.08134	4.9
123.11728	14.0
127.11209	9.9
131.08574	11.9
133.10133	51.7
135.11699	31.8
137.13251	10.5
143.08551	6.6
145.10138	23.5
147.11713	37.9
149.13290	19.2
159.11732	22.8
161.13272	19.5
163.14838	23.6
171.11726	8.3
173.13266	13.3
175.14856	11.4
177.12750	15.1
177.16446	25.3
179.14392	5.6
185.13298	4.4
187.14833	11.9
189.16446	14.5
191.14386	8.4
191.17982	48.5
193.15878	10.2
199.14832	7.3
201.16388	15.1
203.17998	39.4
207.17455	11.3
213.16367	4.2
217.19525	3.8
219.17369	8.1
227.18030	6.0
233.19086	5.2
267.21078	6.0
271.20645	5.2
285.22229	11.0
363.30453	13.9
381.26758	7.2
381.31570	100.0
399.32718	31.7
417.20737	5.0
417.34058	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	417.3364
Annotation	20,25-Dihydroxycholecalciferol
Peak:m/z	Relative Intensity
55.05508	10.5
57.03424	5.6
57.07063	3.3
66.20566	2.6
67.05493	10.1
69.07066	8.5
69.75144	4.4
69.75555	11.7
71.04967	2.9
79.05505	8.8
79.22028	2.3
81.07069	26.1
83.08611	6.4
91.05474	8.0
93.07046	34.3
95.07992	2.7
95.08607	47.8
97.06564	2.9
97.10182	2.8
104.57525	2.2
105.07029	24.3
107.04997	3.2
107.08600	48.8
109.10164	50.4
111.08073	3.2
117.07059	3.4
119.08589	43.9
121.06504	3.0
121.10154	42.7
123.08081	3.3
123.11688	12.9
127.11196	6.2
131.08569	11.4
133.10139	51.0
135.08008	3.0
135.11694	30.7
137.13278	5.9
143.08569	3.1
145.10117	16.6
147.10548	2.2
147.11670	34.3
149.13278	22.9
151.11188	2.8
157.10132	6.2
158.96660	2.7
159.11691	27.8
161.13280	18.4
163.14813	25.3
171.11685	3.4
173.13275	10.9
175.14812	14.9
177.12708	18.0
177.16426	18.5
179.14297	6.7
185.13269	5.6
187.14850	10.5
189.12823	3.2
189.16376	10.3
191.14337	8.5
191.17934	49.0
193.15839	5.2
199.14742	6.4
201.16447	13.0
203.14299	4.2
203.17966	33.0
205.15977	6.6
207.17467	7.5
213.16406	3.3
215.17955	5.6
217.15891	6.0
219.17429	8.8
222.85780	2.7
227.17836	3.3
233.19102	3.1
245.19060	3.6
255.21129	5.7
259.20486	2.9
267.21063	3.3
271.20505	4.1
273.22159	7.8
285.22153	9.0
362.26883	2.5
363.30408	15.1
381.31503	100.0
395.14218	3.1
399.32816	28.1
417.33539	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	417.3364
Annotation	Griffinisterone H
Peak:m/z	Relative Intensity
55.05519	2.3
55.11686	1.2
55.38015	1.2
62.53149	1.1
65.24935	1.1
67.05495	4.8
67.39608	1.2
69.07066	5.6
74.71328	1.3
76.12067	1.2
79.05490	5.3
81.07043	12.4
82.60147	1.3
83.08627	2.7
91.05477	6.1
93.06485	1.7
93.07050	26.1
95.08606	15.1
97.06527	1.7
97.10207	1.7
105.07043	10.7
107.08599	26.5
109.06534	2.6
109.10194	7.3
111.08073	2.3
116.24400	1.4
119.08573	20.0
119.44574	1.4
119.93269	1.2
120.08982	1.4
121.10144	17.0
123.11716	4.3
131.08557	3.4
133.10117	18.2
135.11691	25.2
137.09637	2.9
145.10120	5.8
147.11674	12.8
149.13260	32.9
151.11186	2.1
155.08443	1.9
155.35777	1.1
159.11713	9.5
161.13280	4.7
163.14803	6.1
169.59247	1.4
171.11668	1.5
173.13245	3.6
175.14873	2.2
177.12752	100.0
178.13103	1.4
187.14807	4.6
189.14777	2.6
189.16403	41.0
189.18127	2.3
191.14418	1.6
191.18034	1.8
199.14835	1.5
201.16417	1.4
203.18002	1.8
207.17451	75.5
213.52469	1.2
215.09869	1.2
241.19608	1.4
254.06557	1.2
259.20612	2.9
291.20273	1.4
353.01981	1.4
363.30194	2.2
366.64169	1.3
381.31631	7.3
399.32574	50.3
400.33154	2.0
417.27808	1.9
417.33844	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91339	0.8
61.97480	0.7
62.39429	0.7
63.76853	0.8
69.03432	1.2
76.44658	0.8
85.02895	3.4
91.05473	1.0
97.02905	1.3
98.97586	0.9
107.04950	1.2
123.08041	5.0
124.07548	1.3
127.03925	2.1
132.89259	0.8
134.83755	0.7
140.04935	1.4
145.04909	0.9
151.57445	0.8
152.29985	0.9
154.06552	1.2
155.06042	13.6
156.08067	0.9
167.06004	3.3
167.07216	5.6
168.07426	3.8
169.03864	0.9
169.07629	24.7
170.05946	1.7
172.09624	1.0
179.06049	9.7
180.04478	1.0
181.04985	2.6
181.07600	2.4
182.05359	1.4
182.08453	1.2
183.05554	12.9
183.09218	1.2
184.07607	1.0
185.07115	6.7
193.07616	9.3
194.06058	1.4
195.05536	22.7
196.06328	10.9
197.07121	20.5
198.05540	4.5
201.06671	2.1
205.01915	1.2
205.07468	0.9
207.05493	4.5
208.06490	0.9
209.07137	2.5
210.07776	1.1
211.05057	2.7
211.08650	4.7
213.06601	17.7
221.07108	15.6
223.03017	2.0
223.05037	2.0
225.06607	33.3
225.14815	2.0
227.08226	1.0
229.06111	13.0
237.06624	3.7
238.05327	13.1
238.07445	2.6
239.04546	2.1
239.05817	1.3
239.08170	20.0
241.06085	2.3
243.07700	5.6
249.06654	7.2
253.06114	10.8
256.06396	11.1
257.05640	4.0
257.09225	0.9
265.06024	2.4
266.06760	1.3
267.07666	13.6
269.05679	1.4
271.07153	19.3
277.06110	9.0
283.07065	1.2
285.08722	29.3
295.07175	27.7
312.09796	1.2
313.04642	1.7
313.08224	31.3
331.09271	9.3
340.09204	3.1
354.10913	3.3
358.10345	29.8
372.12036	2.8
382.10172	4.9
391.29218	1.0
400.11426	39.2
401.11713	1.0
406.20435	0.9
409.05585	0.8
418.12439	100.0
419.12735	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84845	1.6
55.01881	2.5
55.05495	2.8
61.02937	2.0
65.03946	2.4
67.05496	3.1
69.03425	5.0
69.07061	3.4
71.04992	2.1
73.36295	1.7
79.05486	5.8
81.03407	3.2
81.07059	6.0
85.02903	8.2
85.06535	5.4
91.05483	10.4
93.07038	9.4
95.08593	6.1
97.02921	2.6
97.06522	2.9
98.20777	3.8
103.05486	4.5
105.07032	100.0
107.04976	3.6
107.08601	8.5
109.10166	3.1
113.06008	5.1
119.04977	2.4
119.08567	5.5
121.06504	5.9
123.04449	4.2
127.03853	2.2
131.08615	3.1
133.06496	13.6
133.10135	96.2
134.10434	1.9
137.09636	5.5
143.08543	4.7
145.10095	4.3
146.07216	4.8
146.30414	1.9
161.09633	85.3
163.11215	7.3
165.09068	6.7
165.12711	3.8
167.07048	31.9
168.07375	22.2
174.06374	3.3
181.04930	12.8
182.05313	9.0
189.09122	34.3
191.07080	2.2
192.07411	4.5
193.12247	85.4
203.10728	2.7
207.10204	6.4
215.53969	1.9
221.11729	47.1
233.08237	2.0
239.12715	4.2
248.93358	1.7
333.78729	1.8
388.14725	6.9
394.63098	2.0
407.59625	1.9
418.15964	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.86672	0.6
55.01861	0.8
56.96551	1.7
69.03421	2.0
71.53020	0.6
73.02914	1.0
73.06565	0.7
79.05487	1.6
81.03424	0.8
85.02911	4.8
87.04449	0.9
91.05486	0.8
93.07048	1.6
97.02886	2.1
98.97578	3.4
103.05475	7.2
106.06562	1.0
107.04916	2.0
109.02863	0.8
120.08108	100.0
121.08463	1.1
124.03968	1.6
124.07563	1.4
127.03973	1.2
131.04935	3.0
133.02805	1.0
137.06018	1.4
145.04973	0.9
147.04350	0.7
149.05983	2.1
153.01860	1.6
155.04810	0.7
158.99631	1.2
162.05432	0.8
165.05440	1.5
166.08641	54.8
167.06995	1.9
177.05440	1.0
179.06972	1.0
197.08139	2.1
214.03871	0.9
219.01654	1.4
237.02876	1.9
247.05669	0.8
256.02603	1.1
274.06018	0.9
298.05884	0.8
358.08243	1.0
418.17767	1.0
419.15231	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	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
56.96551	4.8
57.03444	1.8
66.01768	1.3
67.05488	6.4
69.03416	5.2
69.07076	8.8
71.04984	2.4
71.50002	2.5
77.03918	1.3
79.05482	3.3
81.07054	8.9
83.05003	6.7
83.08626	3.4
85.02895	6.0
85.06528	2.9
91.05470	2.0
93.07017	5.9
95.04977	2.1
95.08614	16.9
98.97554	2.2
105.07010	5.8
107.04924	1.6
107.08583	11.9
109.06505	5.9
109.10151	57.0
111.08092	2.5
115.05471	1.5
119.08580	24.0
121.10126	6.9
123.04415	3.8
123.08069	7.2
123.11713	4.5
124.99112	2.4
125.09663	2.1
133.06458	2.0
133.10144	12.3
135.04427	2.3
135.11693	63.4
137.05945	5.9
137.09602	8.6
139.03801	1.6
143.00165	2.3
147.04385	3.4
149.13240	5.4
151.11162	4.5
151.14792	6.6
161.01178	3.2
161.05919	4.4
163.03859	8.0
167.05811	1.3
167.07007	8.9
168.07365	5.6
175.14832	30.1
181.04927	5.8
182.05299	2.5
191.06883	1.8
193.08582	3.1
193.15880	56.5
201.31946	1.5
211.16933	100.0
212.17293	1.6
212.49825	1.5
219.10440	1.8
222.84010	1.7
237.04581	1.5
239.05899	1.5
242.04630	2.1
244.85957	1.5
249.11186	2.1
253.61296	1.4
257.07141	2.1
269.07596	1.6
287.05469	21.7
287.09082	9.5
299.09131	3.8
315.69202	1.9
342.10284	5.7
369.13327	1.6
385.11560	6.2
401.15909	1.5
418.16083	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	419.0976
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01875	0.5
57.03426	0.9
57.75050	0.2
61.02935	1.6
66.42246	0.2
68.99802	0.5
69.03436	0.5
69.56993	1.3
69.57398	0.4
71.01340	0.5
73.02927	12.7
79.05483	0.4
79.93159	0.2
85.02917	0.7
89.47461	0.3
105.03399	0.6
105.07049	0.3
107.04923	0.5
111.00791	0.7
115.03946	1.0
119.08581	0.3
121.02872	2.3
121.03674	0.3
121.03979	0.2
121.94629	0.3
126.40900	0.3
133.02838	0.5
137.02325	0.6
139.03891	0.3
147.04382	0.6
153.01868	3.7
157.06548	0.5
157.70032	0.3
163.03879	0.3
165.01828	1.8
167.07077	1.2
177.05492	0.4
181.04997	0.4
183.02927	0.8
185.06010	0.4
191.07057	0.6
201.03773	0.3
213.05482	1.2
231.06635	0.8
241.05005	0.7
249.11200	0.5
258.05215	0.6
259.06134	0.3
287.05530	100.0
288.05679	1.2
315.08569	0.7
330.10901	0.8
361.34439	0.3
365.06250	0.3
383.14795	0.4
401.16138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0977
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01879	3.2
55.05502	0.6
57.03450	3.0
61.02916	1.0
64.89917	0.5
65.03934	0.7
67.05499	0.7
69.03433	2.0
69.45523	2.6
70.81313	0.4
71.01359	0.7
73.02930	2.3
79.05504	0.9
80.44843	0.4
81.07079	0.6
83.04977	0.5
85.02912	3.2
87.04423	0.4
91.05478	1.4
95.08608	1.3
97.02893	1.0
99.04465	0.4
103.05494	0.5
105.07053	1.3
107.04974	1.8
107.08612	0.9
109.06499	0.7
109.10195	2.4
110.10484	0.7
111.00771	0.5
111.04457	0.5
115.03934	1.4
115.05452	1.0
117.07060	0.5
119.04958	0.7
119.08570	1.3
121.02915	3.1
121.03671	0.7
121.06474	0.5
121.10160	0.5
123.04440	1.6
123.08089	0.5
129.07021	1.3
131.04968	0.9
131.08601	0.8
133.04985	1.7
133.10112	0.9
135.11739	2.9
136.12044	0.9
137.02403	0.6
137.06073	1.1
139.03960	3.1
144.05714	0.6
145.06483	1.1
147.04433	2.5
153.01836	4.0
156.05586	0.5
159.08119	1.7
161.05974	0.9
161.09642	0.6
163.03955	2.1
165.01846	1.9
167.07050	6.0
170.07263	0.7
171.07954	0.5
173.06044	0.8
175.07520	0.4
175.14836	1.4
177.05490	1.0
181.05000	1.9
183.02844	0.9
183.06541	1.9
185.06056	0.7
187.07571	1.7
189.05527	0.5
189.09151	0.5
191.07068	1.3
193.08514	0.7
193.15918	1.7
194.16287	1.0
201.05417	0.6
203.07011	0.6
205.08611	0.9
208.05235	0.9
209.08122	1.5
211.16948	2.7
212.17372	2.2
213.05493	1.9
216.07860	0.5
217.08661	1.1
219.08237	0.7
219.10231	1.6
221.07964	0.6
231.10127	0.7
241.05035	0.9
247.07448	0.9
249.11299	8.5
258.05377	1.2
264.07947	0.6
269.08047	0.5
277.08517	0.5
287.05545	100.0
288.05838	1.0
291.10150	0.6
299.09045	0.6
307.09845	0.7
315.08499	2.1
330.11053	3.8
337.10645	0.7
343.12012	0.5
350.44754	0.5
351.12106	0.8
355.11826	0.4
369.13397	2.7
383.14767	1.1
387.13269	0.4
389.15656	0.6
401.15936	4.5
419.16693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.1
55.01884	12.5
56.96569	2.4
57.03445	9.4
61.02936	11.1
65.03938	6.9
66.12259	2.1
68.99802	10.1
69.03080	2.7
69.03432	33.6
71.04990	9.4
71.16490	2.9
73.02924	10.8
79.05489	4.3
81.03427	40.6
83.04968	3.3
85.02916	100.0
87.00837	36.1
87.04467	2.4
91.03972	2.6
91.05480	2.2
93.03378	3.6
95.04987	4.2
97.02906	38.0
98.97577	6.2
99.04461	19.9
103.03923	4.6
105.01883	21.4
106.06548	13.9
107.04974	23.4
107.06894	7.9
109.02894	37.6
111.04443	17.4
116.98602	3.2
117.01854	5.0
121.02876	6.3
121.06522	3.5
123.04458	4.7
125.05959	4.6
127.03931	55.1
129.01843	7.3
131.04913	2.5
131.90332	1.9
133.06488	2.5
135.04413	7.1
137.05968	7.5
139.03918	49.6
141.82079	2.1
145.04970	30.7
147.02908	6.7
147.04399	3.1
149.06010	2.6
153.01808	6.5
153.05481	4.2
159.02905	25.1
161.05960	2.4
163.03929	33.7
167.07086	2.9
170.06340	5.7
171.06544	63.3
177.05531	2.5
181.05002	16.7
189.03909	5.5
193.67146	2.4
195.06563	44.2
205.04994	6.0
207.06493	6.3
209.08046	3.2
213.04059	2.2
213.07607	26.4
215.03738	2.3
221.08310	2.1
222.05190	4.5
231.04993	8.1
232.26775	2.3
233.08147	4.8
237.02788	3.1
237.07646	25.5
257.04791	3.3
261.07562	15.9
267.09961	2.4
273.08899	5.2
279.08655	27.7
345.11725	2.3
419.15448	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	419.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.5
55.01863	17.1
57.03416	10.0
61.02913	15.4
65.03937	6.7
68.99778	7.8
69.03091	4.8
69.03428	48.5
69.72008	25.6
71.04990	10.8
71.52003	3.9
73.02904	18.2
74.06060	5.4
79.05479	5.9
81.03414	44.4
83.04976	5.2
84.04476	4.2
85.02436	7.7
85.02910	100.0
86.09751	5.6
87.00831	44.3
91.03959	4.6
95.04987	7.7
97.02892	49.3
98.97578	13.1
99.04445	17.3
103.03977	4.7
103.05464	6.5
105.00085	7.7
105.01904	25.1
106.06554	24.3
107.04966	27.5
107.06885	11.8
109.02893	40.5
111.04430	35.1
116.98575	7.3
117.01850	9.2
117.07085	6.5
121.02869	10.9
123.01084	6.5
123.04444	5.4
125.05980	6.6
127.03917	64.5
129.01811	11.8
135.04373	14.4
137.06004	10.3
139.03918	59.3
143.01910	5.9
145.04964	34.4
147.02859	7.5
147.04460	6.2
153.01817	13.1
159.02864	29.1
163.03915	44.6
167.07074	8.7
170.06325	11.7
171.05159	6.5
171.06537	72.5
177.05464	8.3
181.04947	16.9
189.03972	7.0
195.06511	41.8
207.06525	11.1
213.03970	4.1
213.07628	28.7
218.78474	4.2
222.05101	6.2
233.08173	6.2
237.07520	21.8
261.07593	23.3
273.09106	13.6
279.08624	40.8
303.01367	4.8
345.11554	6.0
419.09747	6.8
419.14896	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	419.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47647	1.0
55.05511	1.2
56.96561	1.0
57.03422	1.5
69.03429	4.6
70.84021	0.9
71.04973	1.0
71.53546	1.7
72.08154	0.9
73.02895	1.0
79.05477	0.9
81.03426	3.1
85.02917	6.6
87.04441	0.9
91.05470	1.0
93.60090	0.9
95.04975	3.5
97.02924	4.8
97.83222	1.0
98.97566	2.3
100.31432	0.9
105.07043	1.1
107.04926	0.9
109.02867	2.4
111.04424	1.0
116.28044	0.8
121.02876	40.4
121.79608	0.8
123.04406	1.3
124.07616	1.1
125.02391	2.2
127.03934	3.8
137.05975	3.5
139.03894	10.0
143.03311	1.0
151.03914	9.1
153.01849	4.2
157.04724	2.3
167.07056	0.9
175.07558	1.1
177.09128	13.3
221.11786	3.1
239.12740	1.2
257.09213	0.9
265.07056	1.8
283.08078	6.4
285.09515	4.2
303.10489	6.9
337.11862	1.0
357.15192	3.5
373.14694	13.7
381.01379	1.2
401.13736	1.3
419.15207	100.0
420.15381	2.4
422.22733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01860	2.4
56.96561	1.4
57.03444	6.4
59.31427	1.0
59.52410	1.0
61.02908	1.2
69.03427	4.6
69.07053	3.9
70.11128	4.1
71.00211	1.2
71.04979	1.4
73.02914	2.7
74.78834	1.1
79.05487	1.7
81.03406	4.3
81.07075	1.6
85.02927	9.0
86.09734	1.7
90.00101	1.1
91.05489	6.4
95.04986	2.4
97.02917	5.9
98.20712	1.0
98.97580	4.2
103.05431	1.7
105.07041	10.3
107.04945	2.0
109.02859	3.4
116.98630	1.4
121.02876	17.1
123.04440	2.4
127.03896	4.9
131.00215	1.2
133.04990	1.4
133.06499	22.3
137.05991	49.0
139.03923	5.3
143.03372	1.6
147.04491	1.7
148.07501	1.6
151.07434	1.5
153.01845	40.7
153.02898	1.6
158.99629	1.4
160.05122	1.5
163.07561	3.3
165.09145	19.3
167.07013	2.5
171.02931	5.2
174.05527	2.2
175.07574	2.6
176.07059	3.0
181.08488	1.5
183.10187	11.7
192.07771	1.4
203.10658	1.9
219.01759	1.7
221.11833	2.9
229.07170	3.5
230.08257	2.0
239.12814	1.8
242.08170	8.1
257.13885	15.3
278.10223	8.2
283.08191	2.4
283.97961	1.2
293.98862	1.2
297.06055	1.6
315.06897	5.3
317.08429	33.0
419.15247	100.0
420.15805	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29828	0.6
53.03953	1.0
55.01870	3.1
55.05507	0.8
56.96559	1.7
57.03428	3.1
61.02914	2.3
65.03951	1.0
67.05507	1.5
68.99797	1.0
69.03439	1.4
69.07066	0.7
71.32934	1.5
73.02563	1.1
73.02928	13.6
73.41772	0.7
75.29306	0.6
78.04725	0.7
78.62258	0.7
79.05480	2.8
81.07049	1.2
83.04992	1.1
85.02909	2.0
91.05480	2.8
91.11211	0.6
93.07036	1.4
95.04974	3.1
95.08624	1.3
97.02918	1.1
97.06533	0.9
98.97614	1.1
103.05486	0.7
105.07034	1.5
107.04983	4.6
107.08563	0.7
109.06514	1.2
109.10186	0.7
111.00813	1.1
111.04445	0.8
115.03998	0.8
115.05460	2.2
119.08593	0.8
121.02895	3.6
121.06566	0.8
123.04459	7.1
123.17540	0.7
124.05202	1.4
129.06982	2.2
131.04924	1.8
131.08559	2.4
133.02856	1.0
133.06468	1.5
135.04395	1.5
137.06004	2.2
137.09633	0.9
137.31656	0.6
139.03914	6.1
141.06979	1.5
144.05698	1.6
145.06493	3.0
147.04405	1.9
149.06009	1.8
151.03946	1.2
153.01836	3.5
153.05501	0.9
156.05760	1.2
157.06506	1.9
159.08012	3.8
161.05927	1.8
163.03934	5.2
163.07565	1.5
165.01886	1.2
165.12875	0.9
167.07066	20.1
171.08026	0.9
173.06021	2.0
175.07440	1.1
177.05492	4.2
180.87247	0.7
181.05043	5.9
181.06497	1.2
181.08672	0.9
183.06544	1.8
187.07561	3.0
190.06252	0.9
191.07112	3.2
193.08727	0.8
197.01410	0.9
204.07735	0.7
205.08588	3.4
207.06459	0.9
207.08240	0.9
207.10226	0.7
208.05211	3.1
209.08072	5.8
211.17094	0.8
213.05573	1.2
217.08653	4.4
219.08116	0.8
219.10121	1.7
221.06041	1.2
221.08015	0.9
231.06360	0.8
231.10387	0.8
235.09660	1.6
236.04723	1.9
247.07491	1.3
247.09720	3.4
248.08330	1.1
249.09035	1.0
249.11255	7.1
254.05782	2.5
257.04489	1.0
257.09409	1.2
263.10684	0.8
267.06613	1.4
269.08081	6.3
272.06519	0.8
276.07837	0.8
279.06921	0.7
279.10168	0.9
282.08911	2.1
287.05530	100.0
288.05966	2.1
291.09921	1.0
293.07986	1.3
295.10043	0.9
299.09125	0.9
300.06116	0.9
300.09338	1.2
307.09650	1.6
309.11078	0.9
313.11804	1.5
315.08658	19.3
321.07639	1.1
322.65271	0.7
323.12711	1.3
325.06952	1.6
328.09491	0.9
330.11002	27.3
336.10156	0.9
337.10773	1.6
339.12332	1.7
342.60562	1.3
343.11874	1.8
351.12219	2.9
369.13275	2.8
371.14966	1.2
383.14999	4.8
387.12045	1.3
401.15982	7.4
419.17252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1702
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
51.51547	2.8
55.01873	16.7
57.03428	5.2
61.02902	3.8
63.92918	2.8
65.03938	5.4
67.05540	2.8
69.03434	3.9
69.63560	2.8
73.02934	15.4
79.05507	17.3
81.07066	3.2
85.02885	6.4
90.18489	3.0
91.05488	7.9
95.04970	6.9
95.08612	3.8
97.06527	3.7
103.05479	5.0
105.07028	13.3
107.04974	23.8
107.08550	4.3
109.06532	3.0
115.05447	7.6
117.07011	6.4
119.08582	4.1
123.04434	11.4
127.03919	3.2
128.06221	5.7
129.06998	9.5
131.04950	4.8
131.08560	9.5
133.06488	11.5
135.08035	3.4
137.02309	3.3
137.05988	7.3
139.03906	17.4
141.06978	5.4
144.05708	8.9
145.06491	9.1
147.04431	5.1
148.05171	4.2
149.05956	5.6
151.03883	3.7
151.07561	3.6
153.01807	2.9
153.05455	5.9
156.05727	4.2
157.06474	3.6
159.08072	15.4
160.05170	3.5
161.05975	9.9
161.09570	3.0
162.06403	4.3
163.03879	15.3
163.07582	6.0
167.07050	88.5
173.05978	11.2
177.05446	14.9
181.04990	33.7
181.06442	4.7
181.08568	5.1
183.06514	9.9
187.07605	12.2
190.06320	6.2
191.07016	25.7
193.08502	5.8
202.06233	4.9
203.06946	5.2
204.07793	4.1
205.08650	17.7
207.10066	3.4
208.05185	13.5
209.08125	26.8
217.08624	25.1
219.08086	7.9
219.10156	12.4
221.06090	3.4
221.08138	4.1
231.08099	5.1
231.10193	3.7
236.04601	5.6
242.04761	3.5
247.07692	5.7
247.09677	15.5
248.08325	6.2
249.08946	4.4
249.11237	40.2
254.05727	8.6
262.09988	3.4
264.07794	4.1
265.10596	4.2
268.03815	3.7
269.08109	20.6
271.09714	3.2
276.07834	7.0
279.10367	7.0
282.05655	3.1
282.08838	10.0
287.05551	93.5
291.10239	6.6
299.09094	4.9
305.08032	3.7
307.09583	6.8
308.10580	3.3
310.08362	3.5
315.08627	79.2
323.13016	4.3
330.10992	100.0
331.11765	5.9
337.10858	3.5
339.12329	6.2
343.11673	8.3
351.12433	14.8
355.11804	3.7
369.13400	13.8
383.15109	17.7
383.19052	3.7
389.15836	4.1
401.16016	28.0
410.64346	3.8
419.17090	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	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.61213	1.6
55.01869	5.4
55.32968	1.9
55.42590	1.7
57.30274	1.6
65.03956	2.1
67.05502	3.5
69.03456	2.8
69.42854	9.3
69.43262	4.1
71.05003	2.2
79.05495	8.0
81.03392	4.7
81.07043	3.0
85.02898	4.5
91.05479	5.8
93.07047	2.2
95.04970	6.4
95.08617	3.1
97.02897	2.6
99.04458	1.9
99.80618	2.0
103.05465	7.2
105.03401	2.0
105.07030	5.5
107.04957	19.4
107.08568	2.8
109.06545	2.3
109.10110	2.5
110.97580	2.5
115.05442	3.5
116.98510	1.7
117.07070	4.4
119.08601	2.6
121.06496	2.8
121.10209	1.9
123.04429	8.5
124.05208	4.4
125.05975	2.8
129.07024	4.0
131.04935	3.1
131.08577	6.8
133.06468	3.4
135.04379	2.1
135.08095	2.6
137.06003	5.7
139.03912	8.8
144.05725	2.1
145.06474	6.9
148.05209	5.4
149.05975	3.4
151.03949	2.7
156.05710	5.9
159.08015	6.2
161.05977	8.3
163.01591	2.0
163.03908	10.5
163.07573	5.8
165.05602	3.0
167.07045	70.2
173.06036	5.4
174.06604	2.4
175.07539	4.5
177.05450	7.1
181.05031	15.0
181.08531	10.8
182.05310	2.2
183.06575	4.3
184.05165	2.6
187.07553	7.3
190.06178	4.8
191.07056	12.2
193.06380	2.2
193.08600	3.8
202.06110	2.4
203.06943	2.5
205.06883	2.3
205.08575	11.1
207.10216	3.1
208.05208	14.3
209.08029	9.5
217.08626	18.3
219.08104	2.4
219.10146	5.8
221.06137	3.1
231.07932	2.4
236.04703	5.7
247.07497	5.4
247.09746	8.9
248.08206	3.7
249.05205	2.2
249.11198	10.3
254.05737	7.8
259.94485	1.8
262.09641	1.9
263.10757	2.3
264.07361	2.2
267.06519	3.1
268.03729	3.5
269.08075	25.4
269.57663	2.8
271.09656	3.6
272.06824	3.0
275.07291	2.6
276.07675	3.0
277.08533	2.9
279.10242	3.5
282.05536	2.9
282.08694	4.6
287.09094	3.8
291.10172	5.2
293.07977	4.0
300.06204	2.9
307.09427	3.5
308.10519	2.5
310.08337	4.1
315.08618	75.6
319.09607	4.2
323.12567	4.5
327.12436	4.4
328.09387	3.0
330.10971	100.0
331.11719	3.8
337.10550	2.3
339.12268	3.3
342.60394	2.6
343.11703	11.1
351.12137	7.4
369.13528	9.8
383.14929	18.6
401.15933	15.1
419.13571	3.6
419.18939	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.07172	1.9
55.01867	6.3
55.05510	3.1
56.96558	1.9
57.03432	4.2
61.02926	2.6
61.32623	1.8
64.50764	1.8
65.03933	3.2
67.05499	4.8
69.03425	6.0
69.07077	2.8
70.59243	3.5
70.59579	2.5
70.69670	1.8
71.04987	2.1
73.02914	3.6
76.22729	1.9
79.05489	7.3
81.03415	4.9
81.07063	6.3
82.05531	1.9
83.05014	2.5
85.02902	8.2
85.06556	2.2
91.05450	5.0
93.07027	6.6
95.04995	4.9
95.08585	2.2
97.02935	2.4
98.97611	2.8
101.16984	2.0
103.05423	2.3
105.07077	3.6
107.04961	12.6
107.08600	4.0
109.06522	3.3
109.10155	6.5
111.00808	1.8
111.04443	2.7
115.05439	3.8
117.07020	4.7
119.04958	3.3
119.08571	2.7
121.02860	3.8
121.10124	2.9
123.04432	5.3
124.05253	2.4
126.62566	1.7
127.03937	3.7
129.07019	4.7
131.04926	3.2
131.08586	6.8
133.10165	4.9
137.02399	2.1
137.05966	4.5
139.03905	42.0
140.99782	2.2
144.05623	4.4
145.06514	8.4
147.04391	12.3
147.11800	1.9
151.03880	2.2
153.01843	4.3
153.12747	3.2
156.05724	3.8
157.06529	4.2
159.08037	9.6
161.05972	6.5
163.03917	25.8
167.07056	39.7
168.07515	2.3
170.07361	2.0
173.06006	6.2
175.07510	2.1
177.05437	3.0
181.05013	6.3
181.08623	2.6
183.06610	4.8
187.07637	5.6
190.06331	3.6
191.07018	4.1
193.08562	3.5
203.06807	2.3
205.08588	12.3
208.05234	6.1
209.08096	3.0
217.08643	10.3
219.10091	3.2
236.04869	2.7
239.20222	1.9
247.07520	4.6
247.09689	7.7
248.08354	3.6
249.11285	22.1
254.05717	3.2
263.06955	2.3
269.08026	12.6
271.09525	2.5
277.08698	2.6
282.08749	4.5
287.05505	100.0
305.08282	2.9
307.09586	2.9
308.10403	2.3
315.05151	4.0
315.08646	47.6
323.12802	3.3
325.10638	2.9
330.07132	4.1
330.10983	60.8
331.11722	4.0
337.10709	2.4
339.12213	3.1
343.11984	5.7
351.12222	10.3
369.13559	5.8
383.14838	12.1
387.11743	3.0
389.16080	2.1
401.16064	14.4
419.15707	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43919	2.9
55.05505	9.7
67.05496	8.8
69.07059	8.7
79.05485	10.9
81.07063	32.1
83.08607	8.4
91.05470	8.6
93.07056	22.2
95.08618	48.0
97.06517	3.7
97.10142	4.2
105.07042	26.9
107.07969	4.2
107.08607	40.8
109.06499	3.5
109.10175	23.9
117.06986	3.4
117.89440	3.4
119.08591	37.2
121.10147	44.5
123.11700	10.8
125.09645	3.2
131.08554	10.1
133.10139	48.3
135.11702	34.5
137.13309	6.9
137.14394	2.6
139.11176	3.0
145.10138	31.6
147.11703	42.5
148.97301	3.1
149.13260	9.4
149.53537	2.6
153.12854	3.0
157.10143	6.4
159.11713	33.2
161.13258	21.3
163.11192	3.0
163.14830	9.5
171.11751	3.2
173.13300	11.5
175.11301	3.2
175.14824	11.9
177.16336	8.0
179.14357	4.2
181.12190	2.9
183.11794	3.1
185.13220	7.5
187.14832	27.7
189.16402	93.1
191.17937	6.3
193.12245	12.1
195.11571	3.2
195.13695	3.1
201.16418	28.5
203.17931	9.9
207.13800	10.5
207.17529	13.5
213.16449	3.5
215.17992	13.1
229.19511	5.9
233.15280	3.2
241.19408	3.5
253.19627	3.5
294.50046	2.9
310.24106	3.5
323.27347	4.0
342.35074	2.9
383.29465	100.0
395.69873	3.3
401.30750	18.5
419.32269	11.2
437.36539	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	419.3519
Annotation	Cholest-5-ene-3beta,7alpha,25-triol
Peak:m/z	Relative Intensity
55.05511	11.7
57.07077	6.2
59.05003	13.0
59.77335	2.3
61.72765	2.3
67.05494	24.4
69.07066	28.8
71.04990	41.6
71.08644	3.3
79.05496	13.3
81.07062	52.8
81.52611	2.6
83.08613	10.1
84.08137	7.5
91.05462	7.9
93.07044	29.7
95.08608	95.7
97.10159	8.3
105.07053	21.0
107.08591	50.8
109.10156	70.4
111.11706	8.2
117.07025	2.4
119.07793	3.5
119.08575	27.0
121.10144	46.4
123.08093	3.8
123.11703	31.3
125.09658	16.0
127.11191	12.3
129.10243	9.8
131.08563	6.9
133.10135	24.7
135.11696	35.5
137.13264	21.3
145.10152	9.2
147.11708	23.3
149.13258	22.4
151.14740	5.0
153.12735	3.2
154.74274	2.4
157.10098	5.7
159.11661	11.7
161.13229	13.6
163.14833	31.3
165.12785	5.2
171.11729	3.9
173.13239	13.3
175.14844	15.2
177.16341	13.1
179.14362	16.3
185.13206	5.1
187.14766	4.4
189.16414	11.6
191.14307	16.9
191.17957	41.1
193.15860	8.5
201.16379	6.5
203.17941	45.9
205.19484	18.4
215.18036	3.0
217.19511	28.7
231.21057	2.8
233.18898	4.7
245.19023	6.7
247.20634	6.7
259.20609	11.0
273.22147	8.0
285.25818	3.8
297.25864	5.5
311.27283	7.5
313.25351	3.5
313.28870	4.8
327.26862	2.8
341.31851	3.9
343.29968	7.8
359.33014	7.4
365.31863	9.4
383.33078	100.0
384.33279	2.9
401.34369	33.9
419.32996	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	419.352
Annotation	Cholest-5-ene-3beta,7alpha,25-triol
Peak:m/z	Relative Intensity
53.03925	1.8
54.60517	1.1
55.01870	4.5
55.05516	12.0
57.07080	8.3
59.05004	8.6
67.05506	17.2
69.07066	20.7
71.04991	4.0
71.08617	2.1
79.05499	8.0
81.07056	35.8
83.08619	16.6
85.06525	1.8
91.05473	14.1
93.06482	1.6
93.07047	26.7
95.04955	2.7
95.08610	69.9
97.06514	1.6
97.10168	4.4
105.07030	27.6
107.07865	2.0
107.08594	37.8
109.06519	3.4
109.10161	43.4
111.08114	2.8
111.11724	5.8
117.07020	3.1
119.08585	36.6
121.10149	33.1
123.08054	3.3
123.08874	1.2
123.11711	13.8
125.13347	1.1
127.11206	8.0
131.08611	6.8
133.09116	1.7
133.10126	30.6
135.08116	1.4
135.11690	28.2
137.09702	1.5
137.13255	74.5
142.07776	1.3
143.08562	4.0
145.10123	16.0
147.10521	1.7
147.11694	32.9
149.09584	1.8
149.13258	8.4
151.14854	2.0
153.12756	2.6
155.14307	22.4
157.10135	4.9
159.11682	12.5
160.12473	2.0
161.09660	1.8
161.13260	18.8
163.11215	1.3
163.14818	7.1
169.10184	1.6
169.15736	1.3
171.11681	3.3
173.13239	10.0
175.11203	1.4
175.14825	11.8
177.05743	1.3
177.16383	4.6
183.11729	2.6
183.13826	2.9
185.13248	4.3
187.14824	12.3
189.16330	7.1
191.17953	3.6
193.15889	13.0
197.13208	2.5
199.14870	4.9
201.16383	14.5
203.17958	100.0
205.15903	2.9
205.19490	2.2
211.15004	1.9
211.16948	8.1
213.16371	5.5
215.14297	1.2
215.18007	6.8
217.19591	4.6
225.16444	2.0
227.18007	7.0
229.19525	8.1
231.21010	1.4
239.18015	1.4
241.19472	2.7
243.21193	2.8
245.18971	6.5
247.20490	1.5
253.19519	3.7
255.21094	1.7
259.20612	1.7
267.21106	3.0
281.22598	2.6
283.24203	5.4
287.23984	1.6
291.23123	2.1
305.24664	1.3
317.24615	1.3
343.29831	6.1
361.31088	1.8
365.32001	6.0
383.33072	86.2
384.33237	1.6
401.34183	69.8
402.34494	2.0
419.35355	46.8
421.73260	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
54.10594	2.1
55.01866	5.3
55.05502	6.8
56.96572	2.3
57.03443	20.7
59.05000	5.5
60.04518	2.3
61.02916	8.2
69.03082	3.1
69.03432	43.5
69.07056	7.7
69.39861	17.5
70.06598	19.9
71.04970	7.4
73.02557	2.6
73.02922	27.5
79.05505	2.7
81.03426	14.1
83.04988	11.5
85.02431	3.7
85.02913	56.1
87.04478	20.7
91.05489	100.0
93.07051	4.2
95.04963	4.1
97.02895	73.9
98.97547	3.8
99.04450	6.0
101.06017	2.5
103.03922	5.1
105.07022	2.7
107.04936	3.3
109.02883	15.8
109.06494	3.7
111.04424	6.1
112.07619	15.0
115.03938	41.2
121.02837	3.2
121.06490	13.4
123.04478	13.7
123.08068	3.3
127.03924	23.4
131.08592	3.9
133.04982	37.4
133.06509	4.7
133.10114	2.9
135.08051	5.0
139.03902	8.8
139.07541	3.1
140.07103	12.3
143.07063	5.4
143.08569	2.4
145.04964	24.7
145.06096	3.2
145.06453	2.8
149.05849	2.5
149.09627	2.7
150.07613	5.8
151.07504	2.5
155.07008	17.8
157.04967	7.2
157.06381	3.2
158.08078	2.8
159.08057	3.6
161.04446	2.5
161.09618	4.7
163.06042	4.3
163.07472	2.7
167.07054	3.5
174.02394	2.4
177.05502	3.3
177.09077	4.7
179.10748	10.6
183.06502	3.6
187.06007	3.5
187.07565	4.5
187.11200	3.2
197.68443	2.3
205.08607	8.7
205.12225	5.4
205.16025	2.9
207.06587	3.2
217.08586	8.8
221.08051	2.6
223.05975	4.6
223.09637	13.8
223.13286	10.7
231.06526	3.9
235.09488	2.4
239.09093	3.3
241.14307	7.6
245.10240	5.0
249.07593	3.9
253.10883	2.9
259.08124	5.4
273.12619	3.6
283.08148	6.5
362.79327	2.7
420.15942	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36843	0.6
55.01875	6.0
57.03186	1.1
57.03444	10.1
60.04549	0.8
61.02931	3.0
65.03937	2.1
69.03433	10.8
71.01358	1.7
71.04612	1.3
71.04956	1.3
72.04504	1.1
73.02917	11.9
81.03412	2.0
85.02911	28.5
85.09578	0.8
87.04452	2.2
91.05486	100.0
97.02903	30.5
99.04450	1.0
101.52050	0.7
103.03934	2.2
104.66045	0.7
105.07040	2.5
109.02869	1.2
113.72877	0.7
115.03934	11.3
117.07017	1.6
127.03921	9.5
129.07033	1.2
132.06612	1.2
133.04976	12.5
133.06541	2.2
138.06441	0.7
143.03383	0.8
145.04977	10.7
145.06454	2.2
150.07648	3.0
153.01793	1.2
157.06534	1.7
159.08147	1.0
161.04477	2.2
163.06036	6.8
171.08017	1.9
175.07658	1.0
198.16539	0.8
217.08658	2.9
223.06110	1.2
235.09749	2.1
241.07114	2.6
253.10727	3.6
259.08188	2.0
267.30389	0.8
277.37961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01873	1.1
55.05519	1.0
57.07079	1.6
59.86982	0.6
67.05512	4.9
69.03429	2.8
69.07065	3.4
70.65673	1.8
71.05008	1.0
79.05504	7.2
81.03437	2.9
81.07065	100.0
85.02914	8.6
87.00831	4.0
91.05476	1.4
93.07069	1.0
95.04947	0.6
95.08621	16.4
95.86953	0.6
97.02889	5.5
99.04469	1.4
105.01881	6.3
105.07018	0.8
109.02930	2.0
109.10179	1.6
119.22953	0.7
121.10162	1.7
127.03922	7.2
131.08575	1.0
135.11696	0.7
137.06087	0.7
137.13275	25.3
145.04973	5.2
154.16000	0.8
159.02979	1.3
177.16435	1.4
187.87540	0.6
223.17075	0.9
231.05136	2.6
284.09970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.03471	0.4
55.01856	0.5
56.96549	1.2
57.03419	0.9
57.09508	0.3
61.02916	1.3
67.04231	1.5
67.05495	0.8
69.03131	0.4
69.03436	4.1
71.04984	0.4
71.53564	0.4
71.53937	0.4
73.01133	0.4
73.02905	0.9
74.00671	2.5
75.59357	0.4
81.03422	1.5
83.04990	0.4
84.04533	0.5
84.96023	0.3
85.02910	8.4
86.06066	0.4
87.04445	0.6
90.73221	0.3
91.03991	0.5
96.04491	1.3
97.02898	4.4
98.97587	3.9
99.04452	0.4
100.02206	62.3
101.00897	1.1
101.95497	0.4
109.02865	0.9
110.06044	1.4
110.97567	0.6
111.04446	0.3
112.90749	0.4
114.05511	4.3
116.98644	1.7
118.03251	4.5
119.01914	1.2
119.04924	0.5
125.00555	0.6
127.02164	3.7
127.03941	2.6
131.00189	0.4
131.01909	0.9
131.03583	0.3
137.05949	0.6
138.05499	2.4
143.00204	0.4
143.01814	3.7
145.03493	1.0
145.04962	2.2
146.02711	100.0
147.03151	0.7
147.04276	0.6
152.07056	0.4
153.01852	0.6
155.01880	1.0
156.06566	1.5
157.03499	0.6
158.99667	2.4
161.02948	2.1
164.07213	0.4
168.04851	0.6
169.03358	0.4
170.02696	2.0
171.01120	6.9
173.02979	1.3
175.04506	0.5
177.00616	1.6
179.07077	0.5
180.06583	2.9
183.05095	0.9
185.03000	0.9
187.04497	0.8
196.04272	0.7
201.06152	0.4
203.04103	1.2
204.06604	0.4
212.03780	4.0
213.06941	13.2
214.51369	0.4
219.01822	1.5
221.05087	1.2
232.58513	1.1
233.06781	0.5
237.02905	0.5
240.08797	0.4
242.04779	0.8
245.05035	0.8
250.07051	0.7
255.07843	1.6
258.09729	0.6
259.07498	37.4
260.05829	1.8
263.06097	0.5
273.08264	1.0
274.09174	0.5
276.10822	2.7
277.03455	0.9
284.05981	0.5
285.00665	0.4
293.10916	0.5
301.08536	2.1
303.01328	1.1
303.07562	0.3
303.09140	0.4
321.10358	1.0
375.12323	1.4
386.68762	0.4
421.12683	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.7
57.03423	4.5
57.07054	2.2
61.02920	4.7
65.03931	4.8
67.05224	1.6
67.05508	17.7
69.03429	14.8
70.23739	6.0
73.02908	5.2
79.05496	2.1
81.03418	9.4
82.06584	1.7
85.02908	34.0
86.02359	1.9
87.04452	2.5
88.03983	1.8
91.03938	2.1
93.03400	5.4
95.04958	9.7
97.02370	1.9
97.02906	17.8
98.21503	2.2
98.97012	2.4
98.97587	26.3
99.02660	8.1
99.04450	2.0
100.02190	9.6
101.00858	4.5
103.03917	3.3
106.06542	1.8
109.02891	6.2
116.98607	10.1
119.01880	8.2
122.06046	2.0
123.04410	2.7
124.07568	2.5
125.00550	12.0
125.04212	1.6
126.05529	3.5
127.02150	97.3
127.03856	9.1
128.98544	2.1
133.06601	2.0
134.06032	9.3
138.05508	43.2
140.05287	1.7
143.00159	3.2
143.01907	24.4
145.03484	6.3
145.04942	6.3
146.02715	11.2
150.05527	3.3
152.07065	7.0
153.00053	7.0
153.01854	3.2
155.01804	4.0
158.99699	20.6
161.02960	24.3
166.03322	1.9
168.04794	9.1
170.02724	52.8
171.01126	5.5
171.97336	2.2
173.02934	4.1
176.07079	3.8
177.00700	9.6
180.04951	2.6
180.06563	53.6
184.04237	8.7
191.03844	2.0
196.04317	8.9
203.04013	12.9
204.06570	11.1
210.05823	2.7
212.03775	97.0
213.06943	7.5
217.01952	6.8
218.07907	2.2
219.01851	13.1
233.06725	3.1
234.07753	3.1
236.03667	9.1
237.02821	4.4
242.04887	9.7
242.07127	2.5
245.05147	2.1
246.07567	5.5
255.07965	7.1
259.07516	50.7
261.03070	2.0
264.08646	1.8
266.04718	2.4
273.08420	2.6
275.10043	2.2
277.03903	2.1
278.05011	2.5
279.07935	1.9
280.06772	2.2
284.05893	17.1
287.09790	4.2
296.05719	2.1
301.08505	39.4
303.01123	2.0
303.07587	3.0
314.06961	2.2
321.08539	3.5
325.08508	6.4
335.11899	1.9
337.08502	4.3
340.08856	1.9
355.09418	2.6
365.44891	2.0
367.09500	3.6
375.12115	3.9
385.10590	2.5
403.12128	2.1
421.12723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05502	1.5
66.62924	0.8
67.05524	1.5
69.03435	1.6
69.07071	1.1
69.79716	4.5
78.04711	1.7
79.05499	3.1
81.03426	1.2
81.07062	4.2
85.02903	1.2
86.09737	1.1
91.05502	3.8
93.07061	4.9
95.04970	2.3
95.08604	3.5
97.06547	1.1
103.05468	1.7
105.07032	3.1
106.04182	1.1
107.04932	2.2
107.08621	2.4
109.02901	1.0
109.10157	1.9
112.35489	0.8
119.08583	1.6
121.06522	4.4
121.10149	2.5
123.04473	5.5
123.11726	0.8
124.05223	1.5
129.07001	0.8
131.08527	1.4
133.06477	1.0
133.10121	1.3
135.11682	1.2
137.05983	2.7
143.08588	1.1
145.10138	1.7
147.04390	1.6
147.11667	1.1
148.05211	0.9
149.05106	0.7
149.06007	6.9
149.13295	0.9
149.48479	0.8
151.03932	1.4
152.04674	2.0
159.11771	0.9
161.05992	2.3
163.07689	1.0
165.09007	1.1
166.06293	0.9
167.07059	100.0
168.07353	0.9
173.13254	0.8
177.05524	1.6
181.08607	9.0
191.07086	0.8
193.08632	4.7
193.10121	0.8
194.05699	1.1
209.08099	4.3
211.09673	18.0
211.11534	1.5
240.70335	0.7
287.05423	1.0
288.05844	1.3
289.06125	4.5
421.18475	4.6
421.30722	1.8
421.35364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.05497	1.6
56.96569	2.0
57.03423	1.0
57.07080	15.7
60.55478	0.4
61.02919	1.2
67.05508	3.7
69.03426	0.5
69.07073	2.0
69.44097	1.0
69.44500	1.5
70.06575	0.4
71.04968	0.4
71.95259	0.4
73.02885	0.4
79.05489	2.3
81.03424	2.0
81.07054	3.7
83.04955	0.6
83.08631	1.0
85.02891	1.6
91.03934	0.9
91.05492	2.3
93.07050	2.7
95.04962	1.7
95.08624	3.2
97.02874	1.2
97.06470	0.5
97.10172	0.7
98.97571	1.0
105.07041	2.1
107.04952	0.9
107.08605	2.0
109.10165	2.5
111.08012	0.4
111.97900	0.4
117.07023	0.8
119.08601	2.5
121.06547	0.9
121.10111	2.5
123.08024	0.7
123.11700	0.8
125.07101	1.7
126.05533	1.8
127.03924	0.4
129.07034	0.6
131.08571	1.4
133.10126	1.5
135.08038	0.5
135.11690	1.2
137.13274	0.8
142.07809	0.5
143.08559	0.7
145.10127	1.2
147.11649	1.2
149.02336	1.8
149.13249	1.0
157.10106	1.1
159.11693	1.4
161.13251	0.5
163.14911	0.4
171.11758	0.8
173.13228	1.1
175.11140	0.7
182.83708	0.4
185.13234	0.6
185.52481	0.4
187.14842	0.7
189.16437	0.5
191.11836	0.7
193.04967	2.9
193.12274	0.9
201.12642	0.4
201.16374	0.7
208.14447	1.1
209.12885	6.2
213.16429	0.7
217.15941	0.4
218.12842	2.5
219.11147	0.9
231.08882	0.6
255.08946	0.4
256.26364	1.5
257.79651	0.4
267.09055	0.7
269.10526	1.9
273.09995	0.6
275.17633	3.9
285.10220	0.5
287.11545	0.8
292.20200	4.1
293.18585	4.9
302.18640	9.3
316.11746	2.8
321.04971	0.5
329.21069	1.6
358.24759	1.2
376.25940	100.0
377.26309	1.8
394.26889	1.9
403.18896	0.5
403.24597	1.6
403.33868	0.8
421.25684	2.5
421.31543	5.8
422.18942	1.1
422.28857	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	421.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05519	7.0
55.97509	0.8
57.07070	3.1
59.24447	0.8
62.29337	1.0
65.03942	1.2
67.05183	1.2
67.05519	13.9
68.03869	0.9
69.06723	1.5
69.07077	16.6
69.16545	0.9
69.16875	9.1
76.69347	0.9
79.05500	8.0
81.07071	26.8
83.08625	5.0
91.04969	1.1
91.05494	12.1
93.07056	18.2
95.04967	2.9
95.08620	37.8
97.10172	3.3
105.07045	21.8
107.04954	1.1
107.08607	24.7
109.10165	18.3
109.62120	0.9
111.08109	1.4
115.05512	1.3
117.07024	4.8
119.07801	1.7
119.08600	25.3
121.06499	1.1
121.10159	16.7
123.08114	1.4
123.11720	9.4
127.36781	0.7
129.07037	3.2
131.08583	12.0
133.10146	18.9
134.10838	0.8
135.11716	13.8
137.09616	1.0
137.13278	5.8
141.06967	1.5
142.07814	2.3
143.08594	9.3
144.09334	1.2
145.10141	13.6
147.11720	13.7
149.13301	8.9
151.11156	0.9
151.14742	1.4
155.08603	6.9
156.09383	2.3
157.10175	14.6
158.10895	1.7
159.11714	15.9
161.13278	19.3
163.11227	1.6
163.14856	5.6
167.08582	1.8
168.09326	0.9
169.10139	9.3
170.10902	2.6
171.11697	11.1
173.13211	8.5
174.14072	1.3
175.11209	1.4
175.14871	12.0
177.16406	3.9
179.14346	5.5
181.10115	2.3
182.11021	1.5
183.11705	7.8
184.12517	2.7
185.13283	7.6
186.14093	1.6
187.14862	21.7
187.16469	1.7
189.16412	25.7
191.14333	1.4
191.17952	8.1
193.10255	1.5
193.12306	1.1
193.15897	2.7
194.11058	0.9
195.11661	4.6
196.12608	1.7
197.13306	6.4
199.14839	9.4
201.16396	16.6
203.14328	1.4
203.17964	6.1
205.15909	4.4
207.11679	1.6
207.17490	2.5
209.13289	3.6
211.14862	4.5
213.16409	17.3
215.17958	10.0
217.15956	5.7
217.19463	8.4
219.17480	2.8
221.13272	1.6
223.14897	3.7
225.16441	6.4
227.18016	6.5
229.19531	3.8
231.17453	14.2
233.19115	1.9
237.16457	5.1
239.17981	6.5
241.19551	3.6
243.21199	2.3
245.19066	1.4
247.20647	1.1
251.18021	3.7
253.19601	7.1
255.21202	3.7
257.19046	2.6
263.17914	1.0
265.19537	12.1
267.21100	11.1
269.19110	2.4
269.22812	1.9
271.20615	2.8
277.19717	1.1
279.21100	3.7
281.22711	4.5
283.20651	9.4
285.22321	5.2
291.21115	2.2
293.22684	2.7
297.22311	1.7
307.24127	2.5
311.23746	1.3
321.25775	1.3
325.25333	2.2
329.21030	1.4
333.25827	1.6
335.27603	1.1
347.27353	2.6
361.28925	1.3
375.30530	1.7
378.29312	2.9
379.29984	1.7
386.26974	1.0
391.33789	4.4
392.74341	0.9
403.25146	1.5
403.33661	24.4
421.25699	4.0
421.34738	100.0
422.34958	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36500	2.0
50.76971	2.0
53.03943	3.0
55.01876	2.5
55.05513	19.0
56.96567	6.9
57.03418	2.4
57.07081	8.2
67.05511	38.9
68.29890	2.6
69.03437	4.0
69.07079	28.1
69.24940	12.4
69.25371	9.9
79.05494	20.7
81.03432	8.6
81.07064	74.0
81.07522	4.6
83.08634	11.9
85.02918	4.3
85.06554	3.4
88.07666	3.4
91.05490	19.1
93.07056	31.7
93.07622	3.0
93.58064	2.5
95.04987	12.5
95.08616	97.5
97.10166	10.7
98.97604	2.8
102.00970	4.4
105.07043	31.8
105.07674	2.5
107.08608	34.3
108.41390	2.2
109.06545	3.6
109.10173	43.8
111.11715	2.5
117.07020	13.1
119.01910	5.1
119.08600	32.0
121.06546	6.3
121.10155	25.6
123.11722	23.0
124.95079	2.0
125.09715	3.3
127.02390	2.1
129.07069	10.5
131.08571	27.1
131.09506	2.5
133.06509	3.6
133.10114	20.8
135.08127	3.8
135.11697	19.4
137.09653	3.9
137.13255	30.2
141.07034	4.3
141.23610	2.4
142.07901	4.8
143.08569	18.5
145.10135	17.8
147.08119	3.9
147.11693	18.8
149.02420	7.5
149.13271	29.4
151.14870	3.7
155.08609	8.4
157.10147	21.3
159.11678	14.7
161.09688	4.2
161.13263	16.2
163.11214	4.1
163.14828	13.2
169.10130	26.9
171.11673	13.8
172.23889	2.5
173.09724	3.2
173.13243	28.0
175.11259	4.0
175.14847	16.2
177.12787	5.5
177.16333	11.5
181.10246	3.5
183.11705	11.9
183.37244	2.5
185.13419	9.9
187.14847	25.0
187.16208	2.3
188.04778	3.3
189.12892	4.6
189.16371	13.5
191.14447	4.7
191.17963	13.1
193.05075	9.2
193.12418	3.1
195.11806	6.3
196.12410	2.4
197.13281	12.0
199.14857	15.2
201.16399	15.2
203.14482	6.3
203.17947	25.6
207.11928	2.6
209.13342	5.0
211.14957	4.6
213.13081	2.8
213.16399	28.7
213.17992	2.2
215.14525	4.3
215.18076	9.2
217.15961	8.0
217.19551	4.3
223.14984	2.9
225.16444	14.1
227.17915	19.6
229.16003	4.0
229.19547	6.5
230.20151	2.8
231.17450	17.1
231.21259	9.4
233.13147	2.3
237.16515	8.5
239.17957	31.4
241.15974	3.7
241.19513	17.1
243.17378	11.6
243.21214	4.9
245.05171	3.4
246.05302	5.1
251.18190	6.5
253.19502	13.0
255.17595	9.8
255.21303	6.6
256.26526	6.7
257.19034	12.9
264.06564	3.3
265.19485	12.9
267.09091	3.4
267.21255	5.3
269.10825	3.0
269.18951	19.2
269.22443	2.3
271.20578	20.9
279.21176	3.7
283.20615	23.0
285.10208	3.1
295.24493	3.1
297.22308	2.9
316.11777	2.6
319.24573	3.6
320.05560	6.4
329.21234	20.3
333.25992	5.1
347.22556	3.6
348.98175	2.6
363.89035	2.6
376.26227	3.6
379.29968	3.5
380.07663	3.9
393.35297	19.2
398.08667	3.0
403.25040	14.6
403.33615	18.2
421.26566	25.8
421.34949	100.0
422.29282	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	421.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24318	1.3
53.03934	2.4
55.01883	1.5
55.05518	9.2
56.96569	2.8
57.03437	2.6
57.07088	3.2
65.03967	1.7
67.05513	21.7
69.03435	3.3
69.07079	18.0
70.65063	3.5
71.04983	1.9
71.08636	1.9
79.04366	1.5
79.05505	10.8
81.03429	2.3
81.07069	34.2
83.08640	5.7
83.72070	1.4
85.02927	4.1
85.06577	1.9
91.03973	1.4
91.05499	15.4
93.07056	22.8
95.04995	5.9
95.08620	45.7
97.02908	4.7
97.10211	4.6
105.07041	27.0
105.07687	2.1
107.04966	3.0
107.08601	30.4
109.10168	23.4
111.08135	1.5
111.11748	1.6
115.05556	1.7
117.07005	7.7
119.08597	36.3
121.06532	2.8
121.10158	21.3
123.04500	1.7
123.08118	2.8
123.11723	10.7
125.09706	2.4
129.07074	3.3
131.08589	17.2
133.10152	21.5
135.08073	2.2
135.11707	15.0
137.06012	1.6
137.09718	1.8
137.13245	9.3
141.07100	1.9
142.07780	2.4
143.08568	9.2
145.10141	19.0
147.11691	14.5
149.13272	9.8
151.14847	1.7
155.08614	6.0
156.09421	3.8
157.10170	12.2
158.11050	1.9
159.11711	16.0
161.09676	2.4
161.13249	13.6
163.11336	2.1
163.14935	6.1
165.09135	1.9
169.10103	7.8
170.10986	2.0
171.11751	9.9
173.13277	9.8
175.14821	18.5
177.12964	1.4
177.16458	5.5
179.14398	6.0
181.10188	4.0
182.10913	1.8
183.11775	6.8
184.12572	1.9
185.13246	8.2
187.14867	18.8
189.12956	1.7
189.16415	41.1
191.17934	10.7
193.15921	3.4
195.11765	4.1
197.13374	5.2
199.11240	2.2
199.14844	9.2
201.16405	22.0
201.17998	1.8
203.17975	8.2
205.15846	7.4
207.11874	1.8
207.17534	2.1
209.13301	2.5
211.14883	2.8
213.12840	1.4
213.16389	13.1
215.14493	1.8
215.17993	15.8
217.12445	4.3
217.15990	5.7
217.19467	11.9
218.06841	2.0
219.17606	4.9
223.15004	1.9
225.16489	4.6
225.66391	1.6
227.17998	9.6
229.16185	1.7
229.19618	4.2
231.17442	17.6
233.19099	3.4
235.14905	1.9
237.16502	5.8
239.18095	5.8
241.19594	5.6
243.21098	1.9
244.52039	1.6
245.19139	1.9
251.18115	4.7
253.12897	2.2
253.19629	6.3
254.13327	1.9
255.21223	2.6
257.19043	2.7
265.19498	14.9
267.09064	2.1
267.21249	6.5
269.19156	2.1
271.20621	3.8
279.21335	2.5
281.22754	3.3
283.20599	14.7
285.22314	6.7
311.20160	2.2
329.21228	5.8
337.25363	1.5
347.27545	3.4
361.29260	2.3
375.30423	1.8
378.29434	5.4
391.33890	4.6
393.35529	2.2
393.92667	1.6
403.25159	3.9
403.33716	19.6
421.22134	2.3
421.25955	8.1
421.34918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.36451	0.3
55.01871	0.9
56.96565	0.8
57.03430	1.5
57.07058	0.4
61.02914	1.8
67.05514	0.9
69.03438	4.7
69.07053	0.5
69.99826	1.9
71.05008	0.5
73.02906	1.1
74.00643	1.2
81.03406	1.8
84.04510	0.8
85.02906	11.1
87.04442	0.5
91.03970	0.7
97.02899	4.6
98.97584	2.4
99.02682	0.5
99.04460	0.8
100.02213	3.8
101.00897	0.8
101.02509	1.5
101.04272	0.6
109.02892	1.5
110.06011	0.4
110.97550	0.5
111.65341	0.4
112.07590	0.5
115.02162	2.3
116.98641	1.1
119.01884	1.0
120.01183	0.7
123.04380	0.5
125.76963	0.4
127.02160	1.3
127.03922	3.9
128.02505	0.7
128.55544	0.4
131.01935	0.7
137.05971	1.4
138.05476	1.0
143.01646	16.7
144.02003	1.6
145.01761	0.4
145.04971	2.1
146.01848	0.4
146.02730	5.3
147.01309	0.4
147.03014	3.1
147.04347	1.1
153.01863	1.4
155.01912	0.9
156.01976	0.4
158.99637	1.2
161.02911	2.3
162.03105	1.3
167.06970	0.6
170.02774	0.6
171.01115	100.0
172.01459	0.9
172.04242	2.0
173.02939	1.0
181.06926	0.8
203.03996	1.0
204.04150	0.8
212.03812	1.2
213.04091	1.1
213.06982	0.5
214.07234	0.5
219.01804	0.8
221.05078	0.9
237.02750	0.5
243.03233	0.7
245.05193	0.8
259.07553	1.8
260.05789	17.6
272.08258	0.4
279.03857	0.5
293.10727	1.2
317.82162	0.4
318.97992	0.6
321.08417	0.5
348.06870	0.6
399.11600	0.4
404.09952	0.5
422.12448	3.3
423.14081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.8
56.96570	8.1
57.03438	2.6
57.07072	4.2
58.06590	2.0
61.02931	6.2
65.03938	2.6
65.97253	0.7
67.05505	9.3
69.03432	2.3
69.07066	3.4
70.06599	11.1
70.53451	2.7
71.04986	1.6
71.08631	1.8
71.95289	1.1
73.02914	2.8
76.80036	0.8
79.05493	3.5
79.25095	0.8
81.03414	2.2
81.07048	10.1
82.07320	0.9
83.04951	1.1
83.08619	2.0
85.02900	6.3
88.07631	16.1
91.03959	3.4
91.05468	2.9
93.07053	6.6
95.08606	6.8
97.02892	3.9
97.06530	1.4
98.97585	3.8
99.04469	1.0
101.02386	1.0
102.09179	10.6
105.07030	2.9
107.08591	4.7
109.02897	1.2
109.10163	3.3
110.97566	1.0
116.98613	1.3
117.07011	1.5
119.08591	2.0
121.10141	2.1
127.03931	2.5
131.08577	1.5
133.10139	1.3
135.11682	2.0
136.12065	0.9
137.13254	1.5
145.10104	1.6
147.11671	1.2
149.02347	61.6
149.03377	3.2
149.13268	4.0
157.10190	1.3
158.99663	1.4
159.11691	3.1
170.99673	1.7
171.11694	1.2
173.13335	1.5
177.86957	0.8
180.18384	0.8
187.14868	1.0
188.15161	1.0
189.00748	1.3
193.04965	76.7
195.13834	2.0
213.08000	10.2
213.16373	0.9
214.16766	0.9
219.01855	1.1
219.05283	1.4
225.07944	1.5
231.09076	6.4
235.09131	2.0
251.09525	6.3
256.26340	36.6
257.10916	1.1
269.10596	33.5
269.17389	4.2
270.10968	1.4
287.11646	11.5
288.10562	3.0
292.12155	3.4
307.11395	1.3
316.11731	53.8
316.61847	8.0
321.04846	1.9
325.12390	4.1
336.62897	1.8
341.16162	4.7
341.66333	1.3
394.35123	1.0
413.21896	1.3
420.56934	0.9
422.19550	14.5
422.29041	100.0
422.34705	7.2
422.68973	2.2
431.22879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05501	4.4
55.65596	1.4
56.96571	24.7
57.03440	7.3
57.07087	15.0
58.06580	1.6
58.07395	3.1
61.02932	14.4
65.03927	2.0
67.05511	18.1
69.03410	5.7
69.07078	8.6
70.06277	1.4
70.06597	13.5
70.38273	3.8
70.38670	3.4
71.04987	2.3
71.08624	3.7
71.95264	2.7
72.96040	2.1
73.02901	6.8
79.05483	10.8
81.03426	9.5
81.07067	21.3
83.04961	2.8
83.08617	3.5
84.96015	1.7
85.02912	15.2
88.07635	15.6
91.03940	6.9
91.05481	8.6
93.07048	13.9
95.04980	2.8
95.08602	9.3
96.08946	1.8
97.02892	14.5
97.06553	3.2
97.10168	1.5
98.97596	10.1
99.04431	3.0
101.02346	2.7
102.09180	10.9
103.03909	1.9
105.07024	4.8
107.08609	10.3
109.02845	3.4
109.06524	1.5
109.10121	5.3
110.97578	3.3
111.08052	2.4
112.99144	1.9
116.72338	1.9
116.98613	4.1
117.07032	2.0
118.38062	1.5
119.08556	3.8
121.10146	4.7
123.11690	1.6
127.03898	5.8
128.98575	3.6
129.06908	2.1
131.00104	1.8
131.08539	2.7
133.10130	4.9
135.08009	1.5
135.11642	4.1
143.00150	3.1
145.04930	2.3
145.10120	1.9
147.03101	2.1
147.11725	2.2
149.01166	3.5
149.02357	62.3
149.13246	6.5
152.28622	1.4
156.00789	1.8
158.99675	3.4
159.11653	3.7
163.14745	1.9
170.99596	1.8
174.01834	2.4
177.00740	3.8
189.00591	2.4
189.16382	1.8
193.04971	73.4
195.06947	2.7
195.13850	4.8
199.06474	2.5
209.12906	2.3
213.07982	16.7
217.07353	1.9
218.12874	2.6
219.05382	2.1
225.08026	4.3
229.07394	4.3
231.09113	10.3
235.09116	5.2
239.06044	2.5
239.09566	4.4
244.09909	1.7
251.09549	11.3
255.08809	2.1
256.23785	2.9
256.26346	41.3
257.06958	4.2
267.08908	2.6
269.10620	65.7
269.17230	7.8
270.10886	3.8
283.08395	1.9
285.10162	2.0
287.11697	23.6
288.10425	4.4
292.12201	12.6
294.18954	2.6
301.09122	1.9
303.18884	4.3
308.11807	1.9
309.88116	1.6
316.11725	100.0
316.61813	13.6
317.12433	2.0
321.04819	2.1
325.12405	3.5
336.63101	4.3
341.16016	5.3
363.18503	3.1
376.26111	8.3
377.26279	63.8
422.19193	22.0
422.28955	96.8
422.68945	6.8
431.22595	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	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01873	1.1
56.05027	1.1
56.96555	1.3
57.03423	1.4
57.69650	1.0
60.04525	2.1
65.26499	1.0
69.03415	4.4
69.66044	5.9
70.06600	61.3
71.04999	31.6
72.08165	2.3
73.02899	2.9
81.03420	5.4
81.07030	1.2
85.02915	8.0
86.06101	1.0
88.07642	29.9
91.03941	1.8
91.05440	1.2
95.04954	1.1
97.02905	6.9
98.06039	4.1
98.97581	3.3
99.04463	2.7
105.07031	1.4
108.04513	1.4
109.02870	11.1
110.97548	1.8
111.04487	1.4
112.07611	3.0
116.07092	3.8
116.98599	1.7
121.02846	2.5
123.04456	1.6
127.03928	12.1
130.08655	100.0
133.10052	1.1
134.08167	5.3
137.05945	1.6
139.03900	3.5
144.06509	1.1
145.04974	4.1
147.80544	1.1
153.01849	4.5
153.31857	1.0
158.08118	4.1
163.03897	1.3
167.07007	1.5
168.97824	0.9
171.06592	1.5
176.09200	24.7
185.42209	1.0
195.06387	1.7
199.09721	2.2
207.10213	1.8
209.31393	1.2
218.10194	5.2
234.04529	1.1
243.71017	1.0
255.86804	1.0
261.07709	1.3
279.08499	1.4
284.11319	9.3
302.12387	23.2
302.15768	0.8
320.13409	6.0
422.08099	1.5
422.16898	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	422.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57389	0.8
55.05516	5.4
57.03434	1.7
57.07074	1.2
59.02024	0.8
59.05000	1.0
60.33604	0.8
61.02932	1.1
67.05512	3.8
69.03442	2.4
69.07069	4.4
69.26995	7.2
71.04990	3.4
79.05486	1.8
79.95935	0.8
81.03426	1.2
81.07066	16.1
83.05001	5.9
83.08594	0.9
85.02913	14.5
85.06548	2.1
91.05482	1.7
93.00515	0.8
93.07054	2.4
95.04984	2.4
95.08620	7.4
97.02901	2.2
97.06544	2.8
97.10177	1.6
98.20718	1.7
99.04467	20.3
99.08108	7.6
101.05987	1.2
104.16768	0.9
105.07051	2.3
107.08605	9.7
109.02897	1.1
109.06544	6.3
109.10162	5.6
111.04446	0.9
111.08097	1.4
113.06034	2.5
119.08598	2.9
120.04472	1.5
121.06534	1.2
121.10175	6.1
123.08080	5.3
123.11703	5.3
124.03947	1.9
125.09622	6.8
127.03924	3.0
127.07573	2.8
127.11193	2.7
131.08577	0.9
137.05986	1.5
137.09668	4.3
137.13260	4.8
139.11186	2.6
140.07190	0.9
141.09114	9.1
147.11726	3.0
149.09651	4.2
151.07562	1.5
151.11183	2.3
153.09132	2.3
161.13326	1.8
162.05550	1.0
163.11168	1.0
165.09132	1.4
165.12782	6.7
167.10687	7.2
169.08595	1.7
179.14345	6.5
183.13875	6.7
189.12720	2.0
197.11862	0.9
207.13824	8.4
225.14879	100.0
226.15227	1.1
243.16042	4.3
343.66891	0.8
423.12430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20267	0.7
54.17166	0.7
55.05514	1.4
57.03445	5.1
57.07075	0.8
58.47268	0.8
59.05013	1.4
60.23368	0.7
61.02928	0.9
63.35724	0.6
67.05491	2.0
69.03430	8.7
69.78017	2.5
69.78426	1.6
71.05003	4.9
72.65482	0.8
75.04481	1.6
79.05503	1.3
81.03428	1.3
81.07050	2.9
83.04982	6.6
83.08620	2.9
85.02905	9.2
85.06531	1.2
86.40365	0.8
87.04465	0.8
91.03954	1.0
91.05463	0.9
91.61549	0.8
93.07041	2.6
95.04951	2.2
95.08630	5.8
97.02886	2.7
97.06544	3.8
99.04499	0.9
99.08076	1.2
101.05995	2.5
105.07029	3.5
107.08598	11.5
107.25297	0.7
109.02874	1.5
109.05792	1.3
109.06521	19.1
109.10184	4.2
111.08092	2.0
113.05999	2.7
115.07569	1.8
119.08636	5.7
121.09336	1.0
121.10163	16.2
123.04414	0.9
123.08083	13.1
123.11714	2.5
125.09627	3.5
127.03921	2.2
127.07599	2.1
133.10124	2.9
135.08087	3.1
135.11664	1.3
137.08638	1.1
137.09622	9.9
139.11148	1.0
140.06970	0.8
141.05449	1.1
141.09114	26.5
145.05035	1.9
145.10144	1.1
147.08005	1.4
147.11697	4.5
149.09633	51.3
151.07535	2.8
151.11197	37.8
153.01846	4.1
153.09120	2.2
155.10715	1.5
156.09384	0.9
161.13258	7.5
163.11209	5.7
165.09077	0.8
165.12791	6.3
167.10687	1.4
169.08624	2.0
171.11697	2.1
174.10483	1.9
177.12556	0.7
179.14308	2.7
181.32982	0.7
189.12769	19.3
207.13821	64.2
208.14204	1.3
213.23425	0.8
225.14877	100.0
226.15201	1.3
238.05966	0.7
243.15947	70.8
244.16486	1.0
316.93167	0.8
348.02817	0.9
350.78192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14158	0.9
50.42837	0.8
53.62882	0.9
55.05507	1.9
57.03439	3.6
59.83516	0.8
60.88186	0.8
61.02924	1.4
64.87672	0.8
66.01233	0.9
67.05503	1.6
69.03424	4.8
70.97695	1.5
71.04992	2.0
79.05534	1.3
81.03407	1.0
81.07066	6.3
83.04971	6.5
85.02913	9.6
91.05485	2.3
93.07034	0.9
95.08614	10.7
97.02889	2.5
97.06539	3.1
99.04453	0.9
99.08115	5.0
105.07056	2.1
107.08597	2.5
109.02847	0.9
109.06525	17.8
109.10165	4.7
111.04462	5.9
111.08163	0.9
113.06030	1.6
119.08617	1.4
120.71592	0.8
121.10160	3.1
123.08071	51.4
123.11674	2.1
125.09634	2.1
127.03942	1.7
127.07530	2.3
133.06490	1.5
135.08046	1.2
137.09625	1.2
139.11195	0.9
141.09111	39.8
145.04996	1.1
145.24451	0.8
147.11681	1.3
149.09631	4.8
151.07559	7.8
151.11205	2.8
163.11189	1.4
165.12749	2.3
167.10699	0.8
169.08630	3.1
179.14348	1.3
181.12245	5.1
189.12753	1.9
195.50555	0.8
207.13800	9.6
225.14859	100.0
226.15222	2.1
243.13457	1.2
243.15939	23.3
261.24161	0.9
365.24335	0.8
387.81714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01859	0.5
56.52962	0.5
56.96569	1.1
57.03434	1.2
58.99338	0.5
58.99588	6.3
61.02915	2.2
67.05515	6.1
69.03434	4.6
69.07076	18.0
69.84164	2.8
71.04991	0.9
73.01157	0.8
73.02928	1.0
74.06055	0.7
76.02235	3.9
81.03416	2.5
82.93214	0.6
84.87499	0.5
85.02918	11.1
86.09726	0.9
87.04469	0.8
91.05474	0.6
93.07050	1.1
95.04991	3.1
97.02897	5.6
98.97601	3.4
99.02692	2.6
99.04450	1.1
99.63533	0.5
101.04257	47.3
109.02877	2.3
110.06080	1.4
112.07610	3.3
116.98608	1.4
122.02762	0.7
123.45306	0.6
125.04246	0.6
127.02167	7.4
127.03921	3.7
127.05801	2.7
128.98627	0.9
129.03683	1.9
136.03952	0.6
136.07516	0.6
137.05974	0.9
138.05515	1.2
139.93034	0.7
140.07069	9.5
145.04971	1.1
147.04478	0.7
152.05331	1.2
153.01796	1.1
154.30550	0.6
155.01683	1.6
158.99641	1.4
168.04816	0.8
170.06378	3.1
170.99677	0.8
172.04297	100.0
180.04778	1.7
182.08138	2.5
197.07440	3.5
198.05894	5.5
206.08156	0.7
214.03406	1.1
214.05328	8.3
215.08481	5.5
216.06844	0.9
219.01785	1.2
237.02873	1.6
240.06876	0.7
244.06458	9.2
259.02167	0.6
259.71570	0.6
261.06314	0.8
261.09091	15.8
277.03510	1.4
284.11359	0.8
286.07523	1.5
303.01550	0.7
303.10190	1.5
305.09146	1.3
323.10254	1.1
334.09683	1.6
339.10107	0.7
342.09839	1.1
360.11053	1.6
365.10217	0.6
377.13849	9.5
423.14383	79.5
424.14810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05515	0.6
57.03430	0.6
61.27956	0.5
64.30175	0.4
67.05499	0.9
69.03415	1.1
69.79369	2.9
71.05000	0.6
76.71435	0.4
77.03934	0.5
78.04715	3.7
79.05506	4.5
81.03421	0.7
81.07053	1.3
83.04977	0.8
85.02921	1.5
85.06552	1.1
86.48521	0.4
87.11630	0.5
91.05479	2.5
93.07079	0.9
95.04999	1.1
95.08621	1.2
97.02914	0.5
97.39632	0.4
99.04440	1.0
99.08064	0.5
103.05490	4.3
105.07049	5.8
106.04191	2.5
107.04976	6.4
107.08597	0.9
109.06551	1.1
109.10165	1.0
111.08135	0.6
113.06043	0.6
115.05462	2.1
117.07029	1.3
119.04996	0.5
119.08603	0.9
121.06535	1.3
121.10149	0.6
123.04438	7.8
123.08076	1.8
124.03954	0.8
124.05254	2.8
124.07599	0.6
124.08428	1.0
125.05987	0.6
128.06198	0.5
129.07033	1.1
131.04951	5.9
131.08588	1.1
133.06523	4.7
133.10121	0.6
134.03664	0.6
135.08075	1.4
137.06012	3.9
141.07033	1.0
143.06013	0.6
144.05713	1.0
145.06508	2.0
147.04413	1.8
147.08089	0.7
149.06010	1.3
151.03961	1.4
151.07544	3.5
152.04727	2.5
153.05429	1.1
158.07294	1.2
159.08130	0.8
161.05997	6.1
163.07561	13.4
166.06178	0.6
167.07065	100.0
168.07593	1.5
169.08330	0.7
173.05997	0.7
173.09642	1.1
175.07593	2.2
177.05496	0.8
177.09152	1.8
179.07170	2.3
181.08604	4.2
181.12303	1.2
182.12613	1.3
187.07530	2.6
189.09116	0.8
192.07852	1.3
192.55371	0.6
193.08630	16.6
195.10085	0.5
201.09227	1.7
205.08563	1.2
207.10170	1.1
208.14105	0.7
217.08658	0.6
219.10266	2.2
225.14975	2.2
226.15154	4.4
233.11728	3.5
237.11295	1.4
261.12503	0.6
263.10611	0.5
265.23889	0.5
280.10953	0.6
285.09052	0.5
291.10269	0.9
295.13165	1.0
296.57626	0.5
323.12872	2.2
337.14371	0.5
340.12943	0.7
352.36780	0.6
355.09106	0.9
355.15454	3.6
387.18155	0.8
391.11255	0.7
405.14136	0.4
422.66995	0.7
423.15561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01871	1.3
55.05513	15.6
56.96561	3.0
57.03447	4.0
57.07072	3.0
58.09699	0.7
58.35143	0.7
59.04992	3.2
61.02927	1.7
65.03934	3.5
67.05506	100.0
68.05878	1.1
69.03423	1.2
69.07070	14.9
71.04987	4.9
71.45862	0.7
71.55050	0.8
73.02914	0.9
79.05489	20.5
80.44633	0.7
81.03442	1.5
81.07057	59.3
82.07404	1.0
83.04975	4.2
83.08619	12.8
85.02924	1.9
85.06548	4.4
91.05483	18.5
93.07046	34.6
94.34347	0.8
95.04990	4.1
95.08608	32.0
96.08981	1.1
97.02934	1.4
97.06533	4.6
97.10176	2.3
98.97591	5.6
99.04483	1.1
99.08103	2.5
105.04518	0.8
105.07024	10.8
107.08594	24.5
107.09290	1.3
109.06507	1.7
109.10155	65.0
109.99368	0.9
110.10500	1.1
110.97593	2.7
111.08094	5.3
113.09614	0.9
116.98619	2.4
117.06999	6.6
119.07789	1.4
119.08589	14.1
120.63519	0.9
121.06543	1.7
121.10130	13.3
123.08060	1.1
123.11725	7.2
127.03963	1.1
128.98624	1.5
131.08556	9.1
131.09399	1.0
133.10141	10.9
135.11670	8.9
136.52176	0.8
137.09651	3.9
137.13278	3.5
139.11172	1.4
143.08566	2.9
145.10158	5.1
147.08136	1.1
147.11700	6.0
149.13261	20.9
151.14864	0.9
155.10628	4.9
157.10107	4.1
158.99631	1.2
159.08168	1.1
159.11696	10.8
161.09654	1.0
161.13269	6.1
163.14856	2.7
169.10146	1.5
170.99631	1.9
171.11726	2.7
173.09596	1.2
173.10141	1.1
173.11777	19.1
173.13297	5.6
173.44293	0.9
175.14873	3.1
177.00720	1.0
177.12775	3.9
177.16446	1.7
179.14336	2.6
183.11713	2.3
185.13277	1.1
187.14803	5.9
189.16411	3.9
191.17955	3.2
193.15791	1.1
194.99698	1.0
195.11963	1.5
195.13786	10.5
197.13324	1.7
199.14893	1.5
201.00748	1.0
201.12788	1.7
201.16476	3.6
203.14354	1.4
203.18050	3.1
205.15875	1.6
213.16461	2.9
215.14352	1.4
215.17906	4.8
217.15948	1.2
217.19530	0.9
219.01833	3.5
225.16393	1.3
226.16893	0.9
227.18053	2.5
229.07510	1.4
229.19611	2.1
231.21193	0.9
233.19048	2.5
237.02829	4.7
239.17957	1.1
241.19519	1.8
243.08994	1.4
243.21207	1.4
247.08711	1.1
253.19550	1.9
255.21187	2.6
261.02948	2.1
267.09143	1.6
267.21127	1.0
269.22659	0.9
271.20770	1.0
273.22159	0.8
279.03955	2.3
285.10266	1.4
285.22223	2.0
335.02734	4.0
345.04910	1.2
363.06049	1.7
377.32434	1.2
405.31091	2.2
405.35272	3.1
422.68906	1.0
423.08319	2.4
423.27542	70.7
423.32480	11.3
423.37390	14.8
424.27756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05516	5.5
57.07068	1.0
61.04501	0.9
67.05506	10.7
69.03436	1.5
69.06792	0.8
69.07073	9.0
69.23970	1.0
71.53270	1.2
79.05499	5.8
81.07058	16.0
83.04974	2.6
83.08641	5.6
91.05490	6.8
93.07049	19.2
95.04969	2.1
95.08612	26.3
97.06530	2.1
97.10154	2.6
99.52409	1.0
105.06384	1.7
105.07037	16.4
107.08604	26.7
109.06548	1.3
109.10149	16.5
110.87389	0.9
111.08057	1.3
112.75431	1.1
115.05377	0.9
117.07007	4.0
119.08591	17.9
121.06504	2.6
121.10149	28.8
123.04380	1.1
123.08048	2.9
123.11684	8.5
124.32874	1.1
125.09658	4.6
129.07022	2.2
131.08577	10.0
133.06583	0.9
133.10135	12.9
135.08046	2.7
135.11703	19.2
137.09621	1.1
137.13252	4.7
142.07732	1.3
143.08553	4.8
144.09328	1.3
145.10136	9.7
147.08046	1.6
147.11696	8.8
149.09637	2.7
149.13263	10.4
151.11079	1.4
151.14824	1.5
157.10115	6.4
158.10875	1.7
159.08095	1.3
159.11690	11.7
161.09648	2.4
161.13268	7.1
163.07535	1.8
163.14818	3.2
165.09111	1.4
169.10153	1.8
170.10901	1.5
171.11719	7.6
173.09665	2.1
173.11946	1.5
173.13266	10.5
175.03903	3.0
175.11183	1.8
175.14844	4.6
177.12811	1.2
179.08611	0.9
179.14270	1.3
183.11688	3.1
185.09747	1.7
185.13257	3.3
187.11104	1.4
187.14833	6.4
189.12854	1.3
189.16405	6.8
191.14352	3.0
191.17938	21.8
193.12328	1.1
195.11723	1.3
197.13206	2.3
199.14836	3.6
201.12700	2.9
201.16403	3.4
203.14366	2.6
203.17938	12.8
205.12108	1.1
205.15984	1.9
209.13326	1.3
211.14763	1.9
213.16347	4.5
215.14357	1.8
215.18007	3.2
217.15938	2.9
217.19481	1.2
219.13818	2.8
219.17444	2.1
223.14760	1.7
227.17947	1.3
229.15924	1.3
229.19519	1.2
229.90425	1.0
231.17403	1.1
233.15341	2.4
253.19563	1.8
255.17522	3.2
255.21037	8.0
269.18979	3.8
269.22058	1.0
271.13611	1.1
271.16980	1.5
271.20581	2.8
273.18570	1.2
283.20447	1.1
285.09888	1.0
307.20776	1.2
313.21594	1.4
387.30576	1.5
391.19254	1.1
405.31436	8.5
423.32559	100.0
424.33005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3259
Annotation	Garcinielliptone FA
Peak:m/z	Relative Intensity
55.01852	0.5
55.05312	0.4
55.05515	4.6
57.07068	1.0
61.56262	0.4
67.05505	5.4
69.06738	0.4
69.07076	6.6
69.33919	1.1
69.34338	2.5
70.83891	0.4
78.53843	0.4
79.05491	3.5
81.03432	0.6
81.06579	0.6
81.07059	8.9
83.04953	0.9
83.08620	2.5
85.06546	0.6
90.59400	0.4
91.05485	4.8
93.07051	10.0
95.04947	1.0
95.08611	22.2
97.06522	1.0
97.10164	1.7
98.20825	1.1
105.07040	7.8
107.08604	12.0
109.02838	0.5
109.06483	1.0
109.10159	7.3
111.08066	0.8
111.11803	0.5
117.07024	1.5
119.08583	8.8
121.06527	1.0
121.10142	8.8
123.04455	1.2
123.08106	1.1
123.11687	4.0
125.09628	0.7
129.07047	0.9
131.08586	3.8
133.06508	0.8
133.10146	6.2
135.08084	1.0
135.11699	7.6
137.09601	1.2
137.13258	1.6
141.07048	0.5
143.08551	2.5
145.06465	0.6
145.10126	6.1
147.04315	0.5
147.08067	2.9
147.11700	5.2
149.09630	0.9
149.13268	4.4
150.02057	0.4
151.11192	0.6
153.09108	1.9
154.53694	0.4
155.08568	1.6
156.09338	1.2
157.06528	0.8
157.10149	4.4
158.10832	0.5
159.08105	2.2
159.11707	5.7
161.05710	0.5
161.09618	2.1
161.13246	3.1
163.11183	0.6
163.14853	1.2
165.05508	0.6
165.09195	0.9
167.08621	0.7
167.14413	0.7
169.10138	1.7
170.10834	0.8
171.08064	5.2
171.11693	3.2
173.09656	3.4
173.13246	3.2
175.03922	1.6
175.11201	1.4
175.14864	2.3
177.12746	2.0
177.16434	1.3
179.14326	1.1
183.11723	2.4
184.08829	0.8
185.09645	2.7
185.13310	2.5
187.11194	3.0
187.14845	3.0
189.12766	1.9
189.16373	3.5
191.14316	1.1
191.17928	2.5
195.11768	0.7
196.12500	0.6
196.43124	0.5
197.09712	0.6
197.13300	1.6
198.10382	1.2
199.11215	3.1
199.14853	1.8
201.12660	2.2
201.16418	1.9
203.10612	0.5
203.12425	0.7
203.14323	11.1
203.17967	2.0
205.15819	0.6
209.13255	1.1
211.14818	1.7
213.12843	2.2
213.16446	1.9
215.14352	2.4
215.17909	2.6
217.15886	2.7
219.13818	0.7
225.12682	0.6
225.16464	1.3
227.14317	1.8
227.17972	2.2
229.15912	3.0
229.19571	0.6
231.13881	0.6
233.15352	1.0
235.14877	0.6
239.14322	7.1
239.17995	1.2
241.15944	2.3
241.19530	2.2
243.17467	4.5
251.18074	1.1
253.15854	1.5
253.19595	2.2
254.16692	0.8
255.17442	1.9
255.21188	1.3
257.19046	1.2
261.14633	2.1
265.19528	0.9
267.17493	1.1
269.19040	5.3
269.22534	0.9
271.20602	2.0
279.17535	0.7
279.21082	0.8
281.19031	0.8
281.22589	0.9
283.20596	1.4
285.21927	0.6
287.20151	0.5
295.20694	0.8
307.20499	0.6
309.22165	1.5
321.22205	0.4
323.23560	0.5
335.23776	0.9
349.25299	0.9
363.26559	0.8
363.30463	1.1
377.31967	1.8
387.30453	1.5
393.27850	1.4
395.32834	0.9
405.31531	17.4
408.30063	0.7
423.20691	3.3
423.32584	100.0
424.32791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05508	12.8
57.03426	1.3
57.07068	6.3
65.03930	1.6
67.05504	27.9
69.06725	2.2
69.07069	26.8
69.47286	1.2
69.57499	8.6
71.08619	1.5
79.05067	1.4
79.05492	15.5
81.06586	2.7
81.07055	54.0
83.04978	1.7
83.08617	12.0
85.06539	1.4
91.05482	21.1
93.06480	2.0
93.07047	36.2
95.04952	2.0
95.08606	84.7
97.02876	1.9
97.06525	2.3
97.10172	6.1
105.07027	49.7
107.08595	54.6
109.06519	2.0
109.10158	46.2
111.08080	2.2
111.11704	4.0
117.06998	10.5
119.08582	57.6
121.06496	2.2
121.10139	45.8
123.08021	2.5
123.11696	19.8
125.09677	2.5
128.06148	1.5
129.07022	3.1
131.08575	22.0
133.06589	1.2
133.10138	35.2
135.08080	1.8
135.11681	28.1
137.09543	1.3
137.13234	16.4
141.07001	1.7
142.07756	2.4
143.08574	10.2
145.10112	32.5
147.08023	3.6
147.11670	25.0
149.09598	1.5
149.13255	25.4
151.11148	2.3
151.14815	3.2
155.08533	4.7
156.09312	1.5
157.10143	15.8
158.10902	2.1
159.08087	6.9
159.11681	32.1
160.12343	1.6
161.09636	3.5
161.13249	34.2
163.11162	1.6
163.14806	15.1
165.12773	1.6
169.10126	5.7
170.10866	1.4
171.08061	14.6
171.11690	11.4
172.08839	3.4
172.12448	1.7
173.09653	8.5
173.13264	20.1
175.03824	3.6
175.11255	2.2
175.14818	24.4
177.12747	5.6
177.16383	16.3
179.14285	16.5
181.10092	1.5
183.11685	7.5
185.09584	4.3
185.13254	6.5
186.94659	1.3
187.11188	8.3
187.14824	24.8
189.12724	4.6
189.16380	22.6
191.14294	2.0
191.17957	20.8
193.15872	8.6
197.13257	6.0
198.10393	1.4
199.11179	3.9
199.14856	6.3
201.12750	14.0
201.16370	19.8
203.14325	27.0
203.17975	22.7
205.15875	19.2
205.19510	5.6
207.17432	4.9
209.13214	1.5
211.11148	1.6
211.14798	2.5
213.12802	6.2
213.16397	9.8
215.14354	9.7
215.17935	33.1
217.15878	5.1
217.19437	7.3
219.17436	4.4
223.14891	1.6
225.16451	3.9
227.14302	5.4
227.17915	9.2
229.15889	13.2
229.19423	12.9
231.21036	4.6
233.18991	27.1
239.17949	1.9
241.15825	3.9
241.19537	8.2
243.17442	10.4
243.21053	5.6
245.18970	4.6
245.22572	1.4
247.20532	4.6
251.17992	1.8
253.15999	1.8
253.19447	6.7
255.17349	5.2
255.21124	9.6
257.19080	4.2
257.22614	3.0
259.20673	1.6
267.21082	6.1
269.18979	18.0
269.22516	5.9
271.17175	1.2
271.20529	7.9
271.23483	1.4
273.22101	4.9
275.96075	1.3
281.22586	3.0
283.20581	4.0
285.22086	8.4
295.24057	1.8
297.25470	2.0
299.23550	2.2
363.30396	2.1
377.31857	1.7
381.31497	3.5
393.35156	2.3
405.31256	10.5
405.35968	17.3
423.14450	2.5
423.32422	100.0
423.36484	68.7
424.32901	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01862	0.9
55.05510	4.9
57.07056	2.2
64.45107	0.6
67.05176	0.7
67.05502	8.8
69.03396	1.1
69.07072	8.5
76.51772	0.6
79.05493	6.4
79.47527	0.6
81.03432	1.0
81.07053	13.5
83.04949	1.0
83.08591	2.9
85.02857	0.7
91.05473	5.9
93.07048	12.6
95.04964	1.4
95.08609	30.7
97.06487	1.2
97.10130	2.3
98.97559	2.2
103.05460	0.7
105.07033	12.0
107.04958	1.1
107.08598	16.0
109.06490	1.8
109.09453	1.0
109.10146	11.1
111.08032	0.7
117.06982	2.1
119.08585	14.2
121.06458	1.6
121.09341	1.1
121.10153	13.0
123.04371	0.7
123.08032	1.5
123.11701	5.5
125.05993	0.9
125.09570	0.9
129.06999	1.3
130.37302	0.7
131.08569	5.0
133.06479	0.9
133.10133	9.7
135.08031	1.9
135.11700	11.7
137.09598	1.1
137.13281	3.3
139.11166	0.6
143.08585	4.1
144.09343	0.9
145.10124	10.1
147.04333	1.0
147.08026	2.9
147.11693	7.9
149.13258	5.6
151.07497	0.8
151.11198	1.0
155.08546	1.6
156.09291	1.2
157.10124	5.5
158.10876	1.4
159.08002	2.2
159.10490	0.7
159.11705	8.7
161.09636	1.7
161.13225	6.5
163.11176	1.1
163.14801	3.0
165.09119	0.8
169.10086	1.6
171.08063	3.8
171.11690	4.3
173.09644	3.5
173.13261	4.2
175.03836	2.1
175.11218	1.5
175.14775	5.1
177.12663	2.2
177.16356	2.2
179.14146	1.1
181.09966	0.9
183.11693	2.5
185.09612	2.6
185.13245	3.7
187.11153	2.8
187.14819	4.6
189.12724	2.5
189.16371	9.5
191.14276	1.4
191.17969	5.2
193.15935	0.8
197.13229	2.0
198.10388	1.3
199.11133	2.5
199.14799	2.9
201.12701	2.8
201.16411	4.8
203.14310	9.0
203.17935	4.6
205.15820	1.8
205.19611	1.1
211.14784	1.0
213.12865	3.0
213.16367	2.3
215.14308	2.5
215.17978	5.6
217.15829	2.4
217.19389	1.2
219.01817	1.3
219.13753	1.5
223.14728	1.4
225.16341	1.4
227.14293	1.4
227.17979	4.4
229.15939	3.1
229.19528	2.6
229.30077	0.8
231.17406	1.5
231.20970	1.4
233.15315	1.6
233.18956	2.5
237.02812	0.7
237.16263	0.8
239.14325	6.5
239.17876	1.4
241.15823	2.1
241.19444	1.8
243.17473	4.6
243.21046	1.4
244.89795	0.6
251.17845	1.2
253.15796	1.5
253.19493	1.3
255.17389	1.7
255.21153	1.4
257.19070	1.4
257.22534	0.9
259.20447	1.0
267.17557	0.9
267.21042	1.1
269.18921	6.4
269.22467	1.8
271.20435	1.6
279.17444	0.7
279.20804	0.9
281.19025	0.6
281.22260	0.7
283.20444	1.9
287.20020	0.8
309.22128	1.3
311.23486	0.8
335.23734	1.0
349.25131	0.9
377.31943	2.2
381.31604	1.1
387.30142	1.4
393.27551	1.6
405.31250	12.5
408.30161	0.8
423.32385	100.0
424.32596	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01865	1.0
55.05511	4.2
57.03429	0.8
57.07050	1.3
65.03941	1.0
67.05224	0.8
67.05505	8.0
69.03431	1.3
69.07080	8.0
70.86688	2.3
79.05494	6.7
81.07056	15.2
83.04975	1.2
83.08607	2.6
85.02903	1.0
85.06528	1.3
85.41006	0.8
91.05473	7.2
93.06474	1.2
93.07056	16.2
95.04955	2.8
95.08614	30.3
97.06523	2.4
97.10158	1.8
98.97579	1.3
105.07037	13.3
107.08598	17.7
108.39036	0.8
109.06500	1.2
109.10168	11.8
111.08076	1.1
117.06970	2.3
119.08585	13.8
121.06487	2.9
121.10162	10.7
123.04482	1.0
123.08052	2.5
123.11712	5.9
129.07004	1.9
131.08582	6.6
133.06517	1.3
133.10135	11.7
135.08060	1.1
135.10812	1.1
135.11716	10.5
137.05988	0.9
137.09631	1.0
137.13249	3.0
139.03949	1.2
142.07732	0.9
143.08582	4.9
145.10138	11.5
147.08029	3.3
147.11691	7.7
149.09619	1.4
149.13290	6.1
152.79256	1.0
153.09062	1.8
155.08611	1.8
156.09384	0.9
157.10136	5.7
159.08022	1.5
159.11725	8.9
161.09612	2.8
161.13321	5.9
163.14809	3.1
165.09062	1.4
169.10114	2.8
171.08054	3.1
171.11679	5.3
173.09633	2.8
173.13321	6.5
175.03877	3.1
175.07584	1.0
175.11168	1.4
175.14842	4.4
177.12711	2.3
177.16383	2.3
179.14322	0.9
181.10133	1.2
182.11040	1.0
183.11716	2.6
185.09618	2.7
185.13278	4.4
187.11160	1.9
187.14775	6.7
189.12787	2.6
189.16420	9.2
191.14320	3.1
191.17940	2.8
193.15929	1.0
195.11717	2.1
197.13260	2.5
199.11151	1.8
199.14822	2.9
201.12712	3.6
201.16396	4.7
203.14320	10.2
203.17963	3.9
205.15935	1.1
209.13165	1.5
211.14761	2.3
213.12729	2.3
213.16394	3.0
215.14317	3.3
215.17915	4.5
217.15810	4.9
217.19420	1.1
219.13797	1.5
223.14758	1.5
225.16429	1.2
227.14384	1.1
227.17914	2.9
229.15907	1.3
229.19624	2.2
231.20845	1.2
233.15411	2.0
239.14371	2.5
239.17981	1.5
241.15891	1.8
241.19623	1.6
243.17467	2.9
243.21077	1.4
245.19060	1.4
251.18079	0.9
253.15919	1.0
253.19560	1.9
255.17386	3.9
255.21094	1.4
257.18781	1.1
261.14722	1.0
267.17526	1.0
267.21112	0.9
269.19003	7.2
269.22720	1.0
271.20529	2.7
283.20572	1.3
293.22540	0.9
309.22095	1.6
335.27295	1.0
362.26276	0.9
377.32120	1.3
381.31555	0.9
387.30603	1.5
405.31476	16.6
423.14423	2.2
423.24423	7.5
423.32510	100.0
424.32809	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05516	5.5
57.07068	1.0
61.04501	0.9
67.05506	10.7
69.03436	1.5
69.06792	0.8
69.07073	9.0
69.23970	1.0
71.53270	1.2
79.05499	5.8
81.07058	16.0
83.04974	2.6
83.08641	5.6
91.05490	6.8
93.07049	19.2
95.04969	2.1
95.08612	26.3
97.06530	2.1
97.10154	2.6
99.52409	1.0
105.06384	1.7
105.07037	16.4
107.08604	26.7
109.06548	1.3
109.10149	16.5
110.87389	0.9
111.08057	1.3
112.75431	1.1
115.05377	0.9
117.07007	4.0
119.08591	17.9
121.06504	2.6
121.10149	28.8
123.04380	1.1
123.08048	2.9
123.11684	8.5
124.32874	1.1
125.09658	4.6
129.07022	2.2
131.08577	10.0
133.06583	0.9
133.10135	12.9
135.08046	2.7
135.11703	19.2
137.09621	1.1
137.13252	4.7
142.07732	1.3
143.08553	4.8
144.09328	1.3
145.10136	9.7
147.08046	1.6
147.11696	8.8
149.09637	2.7
149.13263	10.4
151.11079	1.4
151.14824	1.5
157.10115	6.4
158.10875	1.7
159.08095	1.3
159.11690	11.7
161.09648	2.4
161.13268	7.1
163.07535	1.8
163.14818	3.2
165.09111	1.4
169.10153	1.8
170.10901	1.5
171.11719	7.6
173.09665	2.1
173.11946	1.5
173.13266	10.5
175.03903	3.0
175.11183	1.8
175.14844	4.6
177.12811	1.2
179.08611	0.9
179.14270	1.3
183.11688	3.1
185.09747	1.7
185.13257	3.3
187.11104	1.4
187.14833	6.4
189.12854	1.3
189.16405	6.8
191.14352	3.0
191.17938	21.8
193.12328	1.1
195.11723	1.3
197.13206	2.3
199.14836	3.6
201.12700	2.9
201.16403	3.4
203.14366	2.6
203.17938	12.8
205.12108	1.1
205.15984	1.9
209.13326	1.3
211.14763	1.9
213.16347	4.5
215.14357	1.8
215.18007	3.2
217.15938	2.9
217.19481	1.2
219.13818	2.8
219.17444	2.1
223.14760	1.7
227.17947	1.3
229.15924	1.3
229.19519	1.2
229.90425	1.0
231.17403	1.1
233.15341	2.4
253.19563	1.8
255.17522	3.2
255.21037	8.0
269.18979	3.8
269.22058	1.0
271.13611	1.1
271.16980	1.5
271.20581	2.8
273.18570	1.2
283.20447	1.1
285.09888	1.0
307.20776	1.2
313.21594	1.4
387.30576	1.5
391.19254	1.1
405.31436	8.5
423.32559	100.0
424.33005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
57.07072	1.8
67.05505	5.3
67.33516	0.8
69.03384	0.7
69.07071	8.2
69.18195	6.8
71.08601	0.7
79.05494	3.3
81.07060	12.2
83.08613	2.1
84.94159	0.7
85.06535	0.7
91.05479	3.6
93.07044	8.6
95.04961	0.9
95.08614	17.1
95.09231	0.8
97.10136	1.5
98.20758	1.1
105.07032	9.5
107.08601	13.3
109.06524	1.1
109.10159	11.2
111.11709	1.4
113.31260	0.6
117.07019	1.2
119.08585	14.3
121.10141	10.3
123.08073	4.3
123.11710	7.2
125.13287	1.0
129.07077	0.7
131.08575	2.6
132.79306	0.7
133.10150	8.9
135.11694	8.6
137.13280	6.0
143.08586	2.1
145.10135	6.4
147.11688	11.3
149.13272	4.7
151.11150	1.0
157.10130	2.6
159.11682	7.4
161.13266	11.4
163.14832	2.4
165.12782	1.1
169.10194	1.3
171.11665	3.9
173.13261	6.0
175.14848	6.5
177.16447	1.2
183.11656	1.8
185.13268	2.1
187.14842	4.5
189.16408	8.7
197.13235	1.5
199.14838	2.2
201.16389	4.0
213.16412	1.9
215.18004	1.6
219.17496	6.3
225.16415	1.5
227.17955	1.6
229.64688	0.7
231.21202	1.3
239.17946	0.9
241.19722	0.7
243.21147	1.3
245.22662	3.2
253.19574	0.8
255.21030	1.8
257.22656	3.1
267.21085	3.4
269.22589	4.6
271.24191	2.7
281.22714	1.6
283.24179	7.2
285.22275	3.4
295.24298	1.3
297.25882	1.9
309.25674	0.9
321.25909	1.0
335.27496	1.1
405.29846	0.8
405.35162	16.8
423.36230	100.0
424.36459	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.05512	20.1
56.96564	5.5
57.03435	4.7
57.07074	5.5
59.05003	2.7
61.02928	3.7
61.22484	1.3
65.03944	3.7
67.05509	100.0
69.03425	3.4
69.07072	26.6
71.04993	4.8
73.02930	2.1
76.96001	1.3
79.05502	28.4
79.05959	1.7
79.07742	1.5
81.03424	5.1
81.07062	80.1
82.07408	1.9
83.04990	4.2
83.08617	14.8
85.02908	6.1
85.06537	3.7
90.24732	1.3
91.03976	2.9
91.05484	26.0
93.07052	43.8
95.04970	4.9
95.08614	78.4
96.08952	1.9
97.02912	4.9
97.06511	3.6
97.10176	5.8
98.97598	5.5
105.07043	38.8
107.08603	42.6
109.06526	2.7
109.10165	74.4
111.08100	5.2
111.11732	2.3
115.46185	1.3
117.07037	8.6
119.08588	43.7
121.10149	30.6
123.08102	2.4
123.11728	17.8
125.09637	1.9
127.03895	1.2
128.06128	1.6
129.07031	2.9
131.08578	16.5
133.10139	25.9
135.08075	2.1
135.11693	21.3
137.09683	2.9
137.13287	11.9
139.11247	2.3
142.07779	3.5
143.08607	7.4
144.09332	2.0
145.10117	21.2
147.11694	18.2
149.09624	1.8
149.13269	28.2
149.14392	0.9
151.11147	1.4
151.14810	3.1
155.08548	4.3
155.10713	3.6
156.09341	1.5
157.10138	16.1
159.11703	28.5
161.13275	19.2
163.14830	7.5
168.09418	2.2
169.10104	7.6
171.11705	12.0
173.09608	1.5
173.11751	15.2
173.13297	13.5
175.11017	1.6
175.14839	13.5
177.12781	3.8
177.16388	7.9
179.14323	13.3
183.11740	7.5
185.04900	1.4
185.13235	7.9
187.14822	14.6
189.16417	13.3
191.17955	11.9
193.15842	3.3
195.12209	1.5
195.13821	8.0
197.13287	5.3
199.14799	4.5
201.16432	11.4
203.14388	3.9
203.18010	16.5
205.15839	8.0
205.19481	3.4
211.14903	2.6
213.16458	5.3
215.17976	14.8
217.15952	2.6
217.19556	6.6
219.17432	2.6
225.16408	2.6
227.17952	5.6
229.07491	8.2
229.14255	1.9
229.19519	5.3
231.17538	1.7
231.21060	2.4
233.19041	15.4
237.35745	1.3
239.18039	2.8
241.07642	2.1
241.19536	4.7
243.08902	4.4
243.21140	4.1
245.19066	2.2
245.22603	2.2
247.08607	2.0
247.20541	2.5
253.19568	7.7
255.21202	7.5
257.19043	1.7
259.08435	1.4
259.20541	1.8
261.41464	1.6
267.09024	10.9
267.21234	3.3
269.10522	2.0
269.22543	2.9
271.20523	9.7
273.22137	4.3
281.22650	2.7
283.08621	1.8
285.10156	9.4
285.22089	8.2
286.10361	1.7
295.24243	2.7
297.25684	2.7
299.23615	2.5
308.11560	2.4
309.25803	2.5
316.84903	1.5
393.35165	1.9
395.36713	2.6
405.35434	14.1
423.27716	51.1
423.36655	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	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05503	6.0
67.05492	8.6
69.07063	11.7
69.18867	11.8
79.05493	6.5
81.07059	18.7
83.08619	3.5
91.05468	7.0
93.07041	17.4
95.08610	30.7
97.10162	6.8
105.07045	14.4
107.08606	33.0
109.10155	25.5
111.08104	4.2
117.07029	2.4
119.08585	18.2
121.10149	23.8
123.08056	3.1
123.11671	8.0
129.07065	1.5
131.08548	7.1
131.88463	1.4
133.10130	21.7
135.11679	17.0
137.13283	4.4
143.08536	1.9
145.10109	12.4
147.11696	37.6
149.13258	24.4
151.14833	2.1
157.10150	4.5
157.26663	1.4
159.11711	15.6
161.13249	9.9
163.14813	14.0
167.14340	1.6
171.11691	8.5
173.13272	20.9
175.14841	9.7
177.16376	11.4
179.14223	1.7
185.13295	4.9
187.14848	8.8
189.16316	7.3
191.17957	2.1
197.13280	3.9
199.14809	7.5
201.16411	6.3
203.17999	4.1
205.19466	1.7
211.14760	1.9
213.16461	4.1
215.18011	7.9
217.19530	1.8
219.17375	3.4
225.16388	2.1
227.17990	4.5
229.19533	6.6
241.19525	4.0
243.21080	15.8
245.22601	2.9
247.20757	3.0
253.19418	2.5
255.21057	3.1
257.22745	2.4
259.20700	1.8
261.22144	14.1
267.21164	7.8
269.22644	21.3
271.24338	5.7
281.22742	3.1
283.24335	7.7
285.22153	34.8
297.25565	1.4
309.25739	6.7
311.27286	8.0
313.24991	1.6
319.70926	1.5
335.27612	2.0
337.28806	2.3
349.28934	2.1
405.35208	26.8
423.36237	100.0
424.36566	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05516	16.5
57.07065	5.8
58.33449	1.5
64.11388	1.6
67.05504	23.6
69.03423	2.1
69.07068	30.1
70.77158	3.7
70.77497	3.0
71.76232	1.8
79.05496	16.5
81.07063	56.0
83.08620	8.9
91.05486	22.0
91.94241	1.7
92.52025	1.5
93.06475	2.7
93.07043	37.4
95.05016	2.0
95.08612	88.0
97.06541	2.2
97.10155	7.4
101.85752	1.9
105.07040	55.8
107.07871	3.3
107.08603	62.0
109.06520	3.4
109.10157	45.0
117.07023	10.7
119.08591	56.0
121.10159	43.5
123.08048	3.4
123.11712	19.7
129.07005	3.7
131.08574	24.7
133.10143	36.4
135.10712	1.9
135.11703	30.7
137.13266	17.2
141.06987	2.1
142.07809	3.6
143.08557	10.5
144.09425	2.3
145.09045	2.9
145.10136	39.6
147.11708	23.7
147.46558	1.7
149.13271	23.9
151.14801	2.7
155.08533	3.9
157.06465	1.9
157.10121	16.9
158.10820	1.9
159.08089	4.6
159.11690	34.2
161.09639	1.9
161.13272	35.6
163.11189	2.5
163.14830	13.6
169.10095	6.3
171.08015	8.8
171.11710	12.5
173.09648	5.6
173.13258	26.2
175.03874	3.2
175.14851	24.2
177.12738	5.8
177.16374	16.5
179.14308	20.4
183.11679	5.8
185.09647	2.2
185.13226	8.5
187.11174	5.7
187.14816	27.5
189.12727	2.3
189.16373	25.1
191.14317	2.6
191.17960	20.0
193.15895	12.7
197.13268	3.4
199.11188	3.9
199.14903	8.5
201.12759	11.0
201.14507	2.3
201.16417	23.3
202.16672	1.7
203.14316	20.0
203.17967	26.1
205.15907	26.3
205.19667	4.3
207.17421	4.8
211.14780	4.1
213.12753	5.8
213.16364	10.4
215.14311	5.5
215.16133	3.2
215.17984	39.7
217.15889	4.6
217.19540	7.9
219.17410	7.2
221.19000	2.7
225.16382	4.4
227.14284	3.3
227.18004	11.2
229.16061	8.0
229.19525	16.3
231.17567	3.6
231.21147	8.4
233.19025	37.1
235.30922	2.0
239.17967	2.4
241.15862	2.6
241.19475	6.9
243.17419	6.3
243.21072	8.6
245.19064	4.2
245.22685	3.8
247.20502	5.4
253.19498	6.7
255.17348	2.2
255.21120	10.6
257.22659	3.1
259.20422	3.2
267.21082	7.7
269.18982	9.5
269.22528	6.0
271.20624	8.6
273.22128	6.9
281.22540	2.6
283.20679	2.2
285.22101	10.4
287.23642	2.2
295.24295	3.7
394.15594	1.8
395.36856	3.2
405.31384	5.5
405.35693	24.6
412.91293	1.9
423.14185	2.3
423.32150	61.5
423.36252	100.0
424.36963	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69805	1.6
53.03942	4.1
53.34375	1.5
55.05510	17.0
56.96564	8.7
57.03436	5.3
57.07075	7.7
59.04999	4.2
61.02921	1.9
65.03943	3.4
67.05503	100.0
69.03432	4.3
69.07068	26.4
70.13369	1.6
71.05009	3.7
71.08649	2.2
71.24740	2.0
71.25080	2.7
79.05495	30.2
81.03462	4.5
81.07054	89.9
83.04993	3.3
83.08613	18.7
84.96099	1.8
85.02924	7.5
85.06554	4.2
91.05479	26.0
91.06009	2.0
93.07043	50.5
95.04998	7.6
95.08606	81.2
97.02889	4.5
97.06566	5.8
97.10191	7.8
98.97648	2.3
99.08112	2.9
105.07029	38.9
105.07674	2.3
107.04977	2.1
107.08595	51.4
109.06551	5.3
109.10155	83.0
111.08118	4.9
111.11752	5.2
116.98682	1.8
117.07009	9.7
119.08574	43.5
119.09336	3.2
121.10138	33.1
123.11695	12.7
125.25378	2.0
127.03979	1.9
128.06277	2.2
129.07065	2.6
131.08569	21.0
131.09393	1.9
133.10126	29.2
135.08107	3.0
135.11685	23.1
135.12560	2.0
137.09669	2.7
137.13245	14.5
143.08592	8.4
145.10112	21.3
147.08107	2.7
147.11699	16.6
149.13246	25.3
151.14850	3.7
155.08606	5.7
155.10710	3.8
157.10149	15.3
159.08136	2.2
159.11714	29.9
161.13255	21.4
163.11256	2.9
163.14821	9.1
169.10207	6.2
171.11694	11.5
173.11819	12.9
173.13347	12.9
175.14807	14.9
177.12851	3.6
177.16457	7.1
179.14316	15.3
183.11740	9.5
185.13258	9.0
187.14827	12.9
189.16399	13.9
191.17960	15.3
193.15929	3.4
195.13818	8.9
197.13402	5.0
199.14949	6.4
201.16412	10.3
203.14351	4.3
203.17975	17.9
203.19475	1.6
205.15840	10.0
205.19629	4.3
207.17535	2.0
211.14980	4.1
213.16504	6.3
215.14642	2.1
215.17963	12.9
217.07520	2.4
217.15933	1.8
217.19681	4.4
219.17487	3.8
219.21281	3.4
225.16576	3.7
227.18071	5.6
229.07610	5.8
229.19640	6.2
231.17665	2.1
231.21196	4.7
233.19037	17.4
239.18085	3.4
241.19656	4.8
243.09001	2.0
243.21179	3.9
245.19188	2.2
245.22743	2.8
247.08711	3.2
247.20772	3.8
253.19499	9.8
255.21228	5.0
257.22702	2.4
259.20728	2.4
267.09021	9.3
267.21259	4.8
269.10654	2.2
269.22696	3.3
271.20728	7.8
273.22293	3.7
281.22845	2.2
282.87946	1.9
285.10208	10.8
285.22037	9.6
293.52393	2.0
295.24292	3.7
299.23801	2.2
309.25992	3.9
321.25803	2.8
327.26987	2.5
381.31723	3.0
405.35391	16.5
423.27661	56.4
423.36526	83.1
424.36755	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Glochidone
Peak:m/z	Relative Intensity
51.55767	1.1
53.03941	1.7
55.05513	8.6
56.33028	1.1
57.07067	3.6
66.04672	0.9
67.05511	16.7
69.07081	15.9
69.46851	1.7
69.47256	5.1
71.08646	1.3
77.03918	1.0
79.05510	9.5
80.56320	1.0
80.61821	1.0
81.07066	39.0
83.08620	6.5
91.05485	11.6
93.07058	23.3
94.79010	0.8
95.04981	1.2
95.08617	59.7
97.10182	6.9
105.06310	1.0
105.07040	34.6
107.08602	35.9
109.10172	27.7
109.10925	1.6
111.11770	1.3
117.07007	6.5
117.62348	0.9
119.08591	40.8
121.10154	26.8
123.11713	14.6
125.13283	1.1
129.07028	2.7
130.07776	1.2
131.08556	14.7
131.72261	1.0
133.10153	21.9
135.11703	17.3
137.13274	12.3
142.07761	1.4
143.08563	6.0
145.10136	22.3
146.13492	1.0
147.11700	15.7
149.13277	15.1
151.14813	2.4
155.08594	3.3
156.88144	1.1
157.10132	8.8
159.11710	24.3
159.13025	1.3
160.12491	1.3
161.13269	23.6
163.14824	8.9
169.10132	3.2
171.11723	7.9
173.13307	14.1
175.14838	18.0
177.12813	1.5
177.16418	9.1
179.14317	13.7
183.11691	3.0
185.13303	5.4
186.14032	1.2
187.14845	17.8
189.16403	18.5
191.14320	2.3
191.17966	13.5
193.15906	8.5
196.12436	1.3
197.13261	2.6
199.14861	5.3
201.16389	15.7
203.14282	1.1
203.17987	20.1
205.15903	14.6
205.19556	3.1
207.17529	2.1
211.14861	2.8
213.16382	7.4
215.17964	23.2
217.19539	6.4
219.17531	4.2
225.16458	2.9
227.17960	7.6
229.19525	12.8
230.81216	1.2
231.17462	2.3
231.21143	3.9
233.19038	21.5
239.18083	1.3
241.19524	6.7
243.21072	6.0
245.19102	2.8
245.22798	2.2
247.20633	4.1
253.19603	4.9
255.21068	7.7
257.22720	2.1
259.20679	2.0
267.21051	6.8
269.22766	5.6
271.20657	4.0
271.24368	1.6
273.22116	5.6
281.22629	1.9
285.22144	10.6
287.23730	2.0
295.24292	1.4
299.23654	2.5
309.25705	1.6
335.27527	1.3
349.28653	1.1
375.07278	1.0
375.12799	1.3
381.31616	1.5
393.35294	1.6
395.36728	2.7
405.35181	19.0
423.36301	100.0
424.36624	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Glochidone
Peak:m/z	Relative Intensity
51.36173	1.9
55.05497	8.5
57.07071	3.1
66.81161	2.3
67.05505	20.2
69.07075	21.4
70.77673	5.0
79.05486	10.7
81.07063	40.5
83.08621	8.4
91.05467	11.5
93.07047	29.4
95.08613	73.6
97.10173	6.5
105.07038	49.7
107.08601	42.6
109.10165	38.1
111.11721	4.0
117.07034	12.4
119.08589	41.7
121.10155	30.6
123.11704	12.3
129.07027	3.3
131.08591	18.0
133.10132	31.2
135.11691	20.1
137.13249	15.2
143.08566	6.7
145.10121	33.4
147.11684	16.8
149.13264	16.4
155.08591	2.9
156.09370	2.5
157.10089	10.6
159.11702	31.6
160.12502	2.5
161.13263	25.3
163.14799	11.4
164.48264	2.2
169.10161	4.0
171.11732	7.4
173.13278	19.2
175.14838	26.1
177.12756	2.1
177.16406	13.5
179.14334	15.5
183.11780	4.5
185.13293	6.2
187.14815	21.5
189.16393	23.6
191.17996	19.9
193.15918	7.6
197.13210	2.7
199.14871	5.4
201.16394	20.2
203.17957	24.8
205.15878	26.9
205.19534	5.5
211.14850	2.6
213.16454	6.3
215.17966	32.8
217.15860	4.3
217.19536	9.0
219.17500	6.5
225.16443	4.3
227.17970	7.1
229.15950	2.1
229.19508	16.7
231.17488	3.0
231.21133	4.5
233.19012	39.4
241.19580	8.0
243.21083	6.9
245.19144	4.1
247.20595	7.2
253.19540	6.3
255.21057	6.3
257.22626	3.0
259.20575	4.7
267.21069	6.2
269.22629	4.3
271.20691	5.2
273.22165	4.4
281.22867	3.3
285.22049	10.4
287.23782	3.8
295.24341	2.9
369.73682	2.2
395.37042	2.9
405.35379	20.8
423.36322	100.0
424.36716	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	424.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
56.20255	2.8
56.96563	8.4
57.03428	5.6
59.95360	3.1
61.02913	6.5
69.03430	18.5
69.07055	9.0
69.23055	2.8
71.52403	2.8
71.52853	4.6
73.02915	3.9
79.05467	4.0
81.03415	9.5
85.02917	50.9
85.06535	3.1
85.66389	3.2
86.09701	13.8
87.04472	4.7
91.03941	3.3
91.05473	11.2
93.07039	5.7
97.02908	24.4
98.06041	6.0
98.97587	40.6
99.04428	6.2
101.04228	10.3
102.04632	3.2
103.05459	8.8
105.06973	2.8
107.04951	5.5
109.02879	8.3
116.98629	10.9
117.03430	3.0
119.01907	4.0
119.04877	4.2
121.06531	22.4
123.04394	3.9
127.03916	15.7
131.04970	15.8
133.02867	18.3
137.06006	18.5
140.07005	4.6
143.00150	3.9
145.04984	10.9
147.04382	6.8
148.05177	5.0
149.05991	30.5
149.59404	2.8
152.04144	4.3
153.01819	10.9
155.01892	3.0
158.99680	25.9
159.04401	10.5
161.04672	12.3
161.05898	4.1
163.03833	3.0
163.07500	3.4
165.05516	20.3
167.07059	63.5
172.04285	19.8
173.03027	3.6
173.04614	17.4
174.96835	3.6
176.04659	4.5
177.00681	13.2
177.05486	78.6
191.07047	5.1
194.05687	3.7
197.06435	5.4
197.08102	56.2
198.05756	3.1
202.00931	3.4
209.08105	100.0
215.05742	3.2
219.01804	15.6
227.09152	56.1
233.06708	15.0
237.02882	6.7
242.07350	4.7
245.05028	6.2
251.08482	2.6
277.03543	4.7
284.10135	9.8
292.09851	6.1
303.01288	18.8
303.07272	5.2
335.02271	4.0
363.09674	13.9
379.01318	6.2
403.01489	7.1
421.13794	4.9
424.14572	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01871	1.8
57.03436	2.5
61.02910	2.7
69.03413	7.9
69.50550	9.6
70.06584	3.2
73.02911	2.2
77.66667	1.2
79.05502	2.4
81.03429	2.4
81.07043	2.3
85.02911	20.1
86.09716	1.7
89.03919	1.7
91.03959	1.4
91.05486	12.6
93.07054	3.3
95.04980	4.0
97.02914	7.5
98.20795	2.6
98.97585	2.0
103.05474	9.9
105.03384	2.1
107.04951	5.9
109.02889	3.3
109.06516	5.6
112.07611	2.6
117.03374	3.9
119.04935	3.1
121.06523	18.3
123.04434	1.6
127.03928	5.7
131.04935	17.8
133.02866	32.3
134.03630	1.7
135.04347	2.1
137.05981	19.9
140.04637	1.7
140.07082	1.7
145.02859	2.6
145.04959	4.2
145.06042	1.5
147.04420	3.4
148.05171	5.1
149.05980	30.2
153.01830	5.2
159.04419	11.5
163.03905	2.1
163.07600	2.1
165.05479	32.7
166.06122	1.5
167.07047	52.7
176.04706	3.3
177.05466	78.6
178.06018	2.0
181.08656	2.3
182.05746	3.5
191.07027	6.4
194.05737	4.4
197.08101	80.7
206.29010	1.4
209.08093	100.0
227.09143	50.1
237.02695	2.2
284.99866	1.3
303.01294	5.8
327.61740	1.5
353.90982	1.3
361.00473	1.7
403.01303	1.8
424.17603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68579	1.1
55.05502	3.7
59.04987	2.4
61.02929	1.8
67.05490	5.1
69.03430	20.7
69.33206	10.2
71.04978	2.4
73.37217	1.2
77.52734	1.2
79.05495	3.3
81.03415	2.6
81.07057	13.0
83.04961	6.9
85.02911	14.1
85.06512	1.3
87.04465	3.5
93.07044	2.4
95.04972	2.9
95.08612	7.2
97.02873	2.8
97.10210	1.7
99.04444	3.3
99.08081	5.2
104.31898	1.4
105.07069	2.7
107.08597	14.7
109.02884	2.7
109.06514	5.5
109.10149	4.5
111.08073	3.4
113.05983	2.8
119.08549	2.0
121.10165	12.2
123.04459	1.8
123.08070	7.2
123.11709	24.4
125.09650	18.9
127.03901	5.2
127.07574	10.6
133.10158	2.3
135.11716	1.9
137.09605	3.6
137.13206	2.3
139.11226	2.9
140.28247	1.1
141.05453	1.5
141.09125	1.6
145.04980	3.5
147.04395	1.7
147.11685	2.0
149.09639	1.2
153.09125	4.5
156.04410	1.8
159.06509	1.3
165.12756	34.6
167.10683	2.3
169.12245	2.3
174.05516	1.7
183.13812	85.2
191.14331	1.8
209.15361	48.6
211.16890	2.2
227.16423	100.0
248.08965	1.3
255.08125	1.3
260.62256	1.3
326.91095	1.4
340.45880	1.5
389.21848	3.0
425.17810	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	424.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49295	1.8
53.03942	2.8
55.05519	11.6
57.07068	1.8
61.02953	1.8
64.59110	1.5
67.05520	3.1
69.03423	6.8
69.07058	5.5
69.57983	10.7
69.89026	1.7
71.04989	4.0
77.19552	2.1
79.05513	4.1
81.03434	3.0
81.07071	8.7
83.05000	10.3
83.08620	10.3
85.02927	10.7
85.06542	2.5
91.05522	3.8
93.07055	12.0
95.04977	33.3
95.08594	6.4
97.02905	5.4
97.06536	12.5
98.97594	4.5
99.04474	11.0
105.00085	6.4
105.07049	8.2
107.08614	12.8
109.02888	2.9
109.06549	11.1
109.10169	11.4
111.08092	3.6
113.06079	3.4
115.07593	21.1
116.98593	2.0
119.08584	4.4
121.10162	22.0
123.01112	5.0
123.11689	5.4
125.09615	3.0
127.03944	4.8
128.98589	2.1
130.06497	2.1
131.08594	6.2
133.10146	24.1
135.08054	3.4
135.11708	2.2
137.05994	2.0
139.03893	2.3
139.11214	3.0
145.04993	3.3
145.10103	2.4
147.11708	11.2
149.13257	5.1
151.11230	14.8
153.09135	13.6
163.14830	6.8
165.12825	2.4
167.14342	12.0
170.05765	2.9
173.13258	13.6
191.14333	18.8
205.70433	1.7
209.15392	100.0
227.16466	40.0
230.06723	1.9
237.02753	2.0
244.05881	3.7
249.04256	2.3
262.07162	4.2
285.00290	3.0
295.87939	1.9
303.01389	13.1
304.06677	3.9
361.00452	2.5
379.01474	4.7
403.01514	6.0
423.77029	1.9
424.12225	25.4
424.17587	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	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19645	0.5
65.35559	0.5
69.03439	1.0
70.99834	0.7
71.52074	0.6
71.52478	0.7
72.25204	0.6
77.00928	0.6
78.95326	0.4
81.03414	0.8
82.61602	0.5
82.99818	3.2
85.02910	1.7
89.00886	0.6
94.99844	0.9
97.02898	1.9
99.53948	0.5
101.00887	19.3
108.44029	0.5
109.02907	0.9
113.00873	6.0
115.29405	0.4
119.01933	13.8
120.13990	0.5
127.02433	3.7
127.03949	0.7
129.00336	0.6
129.03860	0.6
131.01912	6.4
135.22166	0.4
137.00835	0.6
137.02985	0.7
139.02406	2.9
143.01907	38.5
145.03471	8.4
145.04550	0.8
147.01364	1.1
153.03989	0.7
155.00653	0.4
155.01894	16.3
157.03493	6.4
161.02972	35.7
166.38110	0.5
167.01904	11.5
169.03494	3.5
171.03535	0.5
171.05011	1.5
173.02966	17.3
175.04546	1.4
179.01891	7.0
184.04596	1.2
185.02966	33.4
186.03178	0.6
187.04498	3.3
191.02464	0.6
191.04047	3.9
197.02960	13.3
203.04021	15.0
208.04665	0.7
209.03017	1.3
215.04004	6.7
221.05086	5.0
227.04004	7.6
239.06113	1.7
245.05087	100.0
246.05280	2.5
247.04639	0.6
257.05072	6.0
260.02917	0.7
263.06165	29.0
264.06277	0.7
272.37543	0.5
275.06137	24.5
276.06061	0.7
277.03455	2.1
278.03665	0.6
293.07187	3.3
303.01343	2.5
304.01926	0.7
305.07187	12.7
335.08154	3.9
347.08359	0.6
365.09314	9.5
383.10312	1.7
424.56223	0.6
425.06760	1.6
425.11530	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	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78857	1.7
70.99841	2.8
71.52197	1.8
77.00901	2.0
89.00901	4.2
95.68462	1.6
99.47150	1.6
101.00886	8.3
112.89593	4.6
113.00875	1.6
118.66711	1.5
119.01911	6.3
121.67008	1.3
127.02419	4.1
131.01927	3.3
135.01448	1.8
139.02396	7.7
143.01944	8.3
145.03494	9.4
155.01900	6.5
157.03484	16.2
161.02959	9.3
167.01938	3.0
173.02965	4.9
175.04494	1.7
185.03017	10.5
203.04027	14.8
213.72249	1.7
221.05090	35.7
239.06143	23.1
243.50757	1.5
245.05122	10.7
263.06146	91.6
275.06140	100.0
276.06253	2.5
277.07791	1.9
305.07202	10.6
347.08109	2.0
365.09448	11.3
383.10397	8.2
425.11447	73.8
426.11703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1421
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.79227	0.4
57.03431	0.5
61.02921	0.7
63.23936	0.4
67.05486	0.7
69.03429	1.4
69.07057	0.4
69.24360	3.8
69.53116	0.4
70.06585	1.3
71.04989	1.8
71.55992	0.4
81.07059	1.1
84.96014	0.4
85.02908	2.1
88.07641	0.6
91.05489	5.5
93.07024	0.5
95.04961	0.5
95.08606	1.1
97.02891	1.4
98.06069	2.9
98.97588	1.3
105.07044	0.8
107.08638	0.5
109.02851	0.5
109.10161	0.6
113.54615	0.4
116.98623	0.4
120.08115	3.5
123.04439	0.8
123.11703	0.4
124.07491	0.6
127.03949	0.6
130.06560	0.6
130.11685	0.5
131.04971	0.5
133.10146	0.8
137.06013	0.6
139.03871	0.5
141.12756	0.7
145.04953	0.7
149.92249	0.5
158.99707	0.5
159.13786	0.8
172.11237	0.4
175.08694	1.2
189.05626	0.5
200.10736	1.8
209.15390	1.0
217.13446	3.8
217.15407	0.6
219.01729	0.6
229.07332	1.1
229.57402	0.6
239.05690	0.6
245.12907	8.7
263.13937	14.5
293.09967	1.9
345.38489	0.4
425.14188	100.0
426.14343	2.4
441.10992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1574
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
63.76917	0.5
67.05479	0.8
69.03451	0.5
71.54814	0.5
79.05476	0.8
81.07050	1.2
85.02921	0.9
93.07034	1.0
95.08604	1.6
98.97575	0.9
105.07034	0.7
107.08607	1.0
109.10140	1.2
123.04443	0.7
125.35059	0.5
129.23116	0.5
131.05025	0.6
135.11681	0.7
137.05969	0.8
147.04414	0.6
151.03915	0.5
159.11621	0.5
161.05894	0.6
163.07608	0.5
214.98155	0.5
251.77988	0.5
273.07458	0.9
319.10431	0.5
406.05533	0.5
425.15753	100.0
426.16135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63524	0.9
53.03946	1.5
55.01833	1.1
55.05497	1.2
56.96571	1.5
57.03423	1.8
58.06584	3.2
59.04996	3.5
61.02919	1.6
64.94819	0.9
68.05034	5.4
69.03429	8.6
69.07059	2.2
70.06577	1.2
70.83563	2.5
73.02915	1.4
76.07634	1.2
79.05475	1.0
81.03407	2.0
81.07069	1.6
83.04962	1.2
85.02914	13.8
86.06089	5.7
86.06546	0.9
87.86035	1.0
90.51703	1.0
91.03917	1.2
91.05473	1.9
95.02441	1.0
95.08611	1.8
97.02901	5.8
98.97601	2.4
99.04423	1.4
105.07035	1.4
107.04897	1.0
109.02870	3.3
114.05544	8.0
117.05751	0.9
118.06553	12.3
123.04474	1.8
127.03906	4.6
130.06509	5.3
132.06610	18.5
132.08093	68.2
137.05939	1.6
139.03870	1.9
143.07318	1.3
144.08115	11.3
145.04913	2.4
146.06015	46.7
147.04381	2.4
151.03792	1.1
153.01863	2.8
156.08165	1.7
158.09650	1.6
170.06062	3.2
188.07066	64.5
214.11046	1.6
217.13367	4.5
245.12862	8.5
257.00858	1.1
258.11481	1.3
263.13925	100.0
276.12250	3.1
303.01419	6.8
340.76270	1.1
361.00510	1.5
379.01425	1.8
403.01431	3.1
407.07471	1.2
407.18283	2.5
417.46341	1.1
425.09457	1.4
425.19162	21.8
425.34167	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	425.3412
Annotation	Maragenin II
Peak:m/z	Relative Intensity
53.41877	0.9
55.05507	7.5
57.07080	1.6
67.05511	13.1
69.07073	7.3
75.01637	0.8
75.25151	1.1
79.05477	2.9
81.07055	11.9
81.77982	0.8
83.08612	3.3
91.05477	4.1
92.47020	1.2
93.07040	11.8
95.08608	100.0
97.06534	0.9
97.10188	2.3
105.07037	9.8
107.08602	13.9
109.06488	2.4
109.10159	10.4
111.11753	1.3
117.07013	1.0
119.08586	13.4
121.06520	1.7
121.10154	9.9
123.08102	1.2
123.11725	5.8
131.08563	2.7
133.06520	1.5
133.10127	10.3
135.11703	10.2
137.09644	1.2
137.13234	3.5
143.08548	2.0
145.10155	5.1
147.08041	2.0
147.11690	6.3
149.13260	6.1
157.10141	2.7
159.08098	1.1
159.11719	4.0
161.09647	2.5
161.13234	4.9
163.14818	2.2
168.92531	1.0
171.11693	2.4
173.09677	1.4
173.13272	3.6
175.11198	2.2
175.14795	5.7
177.12782	1.1
177.16374	1.1
182.29950	1.1
185.13165	1.4
187.14867	5.0
189.12733	3.1
189.16388	15.3
191.17963	17.1
193.15849	2.0
199.14828	3.0
201.16356	5.0
203.14284	10.8
203.17896	5.0
205.15900	2.9
205.19478	1.1
215.14366	1.4
215.17952	2.3
217.15881	10.2
217.19463	2.4
219.13889	0.9
219.17435	1.6
227.17879	1.3
229.16087	1.2
229.19551	1.8
233.15349	4.1
235.16855	1.2
241.19499	1.6
242.30847	1.1
243.17445	1.6
253.19580	1.9
255.17406	2.0
255.21223	1.3
257.19031	2.5
267.21011	1.8
269.18936	1.2
271.20670	2.1
307.50012	1.1
313.25217	6.6
370.10977	1.0
379.33807	1.3
389.31897	2.6
407.33081	65.8
408.33295	1.9
425.34122	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	Maragenin II
Peak:m/z	Relative Intensity
55.05511	5.1
57.07077	2.5
65.03941	1.3
67.05512	13.0
69.03441	0.7
69.07069	8.6
70.90030	1.7
73.85881	0.6
79.05479	4.1
81.07067	14.2
83.08616	2.2
84.42354	0.6
91.05476	6.6
93.07050	12.6
95.08611	100.0
97.06554	1.5
97.10171	2.4
105.07042	9.9
107.08594	17.0
108.07543	0.6
109.06532	2.4
109.10154	13.6
110.10455	0.9
111.08118	0.9
117.07040	1.2
117.34439	0.6
118.97315	0.5
119.07803	1.0
119.08592	15.1
121.06522	2.0
121.09335	0.8
121.10155	11.5
123.08076	1.7
123.11712	5.0
124.17015	0.6
125.09660	0.7
129.07036	1.0
129.53268	0.5
131.08583	3.1
133.06516	2.3
133.10130	10.2
135.08113	1.1
135.11703	13.2
137.09619	0.9
137.13272	3.7
141.89804	0.7
142.07716	0.7
143.08540	1.6
145.10115	6.6
147.08046	2.7
147.11687	7.7
149.09636	1.3
149.13271	5.8
152.65086	0.6
157.10152	3.3
159.08020	1.3
159.11678	4.7
161.09624	2.7
161.12123	0.9
161.13297	6.6
163.11217	1.0
163.14842	2.7
169.10136	1.1
170.10883	0.7
171.11736	1.5
173.09650	1.5
173.13231	4.0
175.11212	3.6
175.14819	7.6
177.12778	1.2
177.16403	1.3
179.14235	1.0
183.11687	1.2
185.09583	1.0
185.13261	1.3
187.11143	1.0
187.14844	5.0
189.12766	2.4
189.16389	18.0
189.18102	0.9
191.17953	19.0
193.10339	0.7
193.15979	1.6
197.13220	0.9
199.14792	3.0
201.12692	0.8
201.16443	5.3
203.14330	11.4
203.17995	8.4
205.15849	2.1
205.19554	1.5
207.13708	0.8
207.17462	1.9
209.13269	0.8
213.16338	1.5
215.14352	1.4
215.17970	1.4
217.15889	11.3
217.19450	1.9
219.17436	2.5
225.16415	1.1
227.17938	1.6
229.15857	2.3
229.19550	1.7
230.54707	0.7
231.17416	0.8
233.15367	3.9
235.17052	0.8
239.17790	0.7
241.16032	0.9
241.19516	1.4
243.17352	1.1
245.18993	0.8
253.19568	2.4
255.17468	1.5
255.21045	1.0
257.19022	2.0
267.21088	0.9
271.20612	1.9
311.23700	1.0
313.25287	9.1
337.25208	0.7
379.33398	1.3
389.32092	1.9
407.33084	66.3
408.33466	2.3
425.34103	41.4
426.34341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.71510	0.4
53.03949	0.5
55.05502	3.4
57.07071	0.9
59.23545	0.4
60.67785	0.4
67.05224	0.5
67.05511	5.0
69.03405	0.7
69.07066	4.3
69.58035	3.0
77.38554	0.4
79.05502	3.1
81.07057	7.0
83.04948	0.7
83.08623	2.5
91.05491	3.5
93.07043	7.0
95.08607	12.5
95.32539	0.4
97.06542	1.0
97.10152	1.3
98.19582	0.4
105.07037	6.0
107.04983	0.6
107.08595	12.9
109.06492	1.2
109.10157	7.1
111.08074	0.9
111.11704	0.5
117.07017	1.8
119.08588	8.1
119.22068	0.4
121.10135	9.3
123.08064	1.6
123.11681	2.9
126.97269	0.5
130.07843	0.7
131.08565	3.5
133.06487	0.5
133.10124	7.0
135.08064	0.7
135.11688	6.2
137.09602	1.0
137.13258	1.6
139.11153	0.7
143.08571	1.3
144.09357	0.6
145.10124	5.9
147.08086	1.1
147.11681	4.4
149.09668	0.7
149.13251	3.1
151.11131	0.7
155.08557	0.8
157.10141	2.4
159.11694	5.7
160.08830	1.8
161.09613	1.0
161.13272	3.8
163.11182	1.6
163.14769	2.3
165.09055	0.5
165.12747	12.7
169.10138	1.8
171.11658	3.2
173.09651	1.1
173.13213	2.5
175.11194	0.7
175.14780	2.6
177.12782	1.8
177.16377	4.3
179.14305	6.3
183.11702	1.3
185.13231	1.5
187.11208	1.6
187.14828	3.1
189.12729	2.6
189.16376	3.1
191.14288	3.1
191.17924	1.7
193.15869	1.2
197.13251	1.3
199.14813	2.1
201.12773	1.2
201.16359	1.2
203.14322	3.6
203.17926	1.3
205.15871	1.9
207.17305	0.6
211.14832	1.1
213.16344	1.7
215.14374	3.4
215.17944	1.2
216.15109	0.6
217.15913	4.8
217.19563	0.6
219.17491	2.8
223.14931	0.5
225.16324	1.3
227.17973	2.4
229.15919	1.8
229.19530	1.5
231.17436	3.8
233.19006	0.6
239.17992	1.2
241.19495	1.3
243.17418	2.9
244.18205	1.2
245.19034	3.9
247.20605	0.8
253.19524	0.9
255.20996	0.5
257.19000	2.0
258.19815	0.6
259.20679	1.0
271.20520	9.7
273.22119	0.8
281.22684	0.9
285.22192	3.9
299.23734	1.5
362.01273	0.5
381.31308	0.6
397.35132	0.5
407.33081	5.2
425.34140	100.0
426.34442	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	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03903	1.7
55.05505	11.1
57.07038	5.4
58.70679	1.4
58.96988	1.8
65.03923	1.7
67.05502	18.4
69.07066	21.4
70.57145	2.1
70.57476	2.6
71.04961	3.4
71.08598	1.9
79.05489	14.9
81.07058	48.8
83.04939	3.3
83.08616	9.7
91.05474	14.0
93.07045	31.3
95.04942	3.6
95.08608	77.3
96.01059	1.5
97.10110	5.8
99.08061	2.3
104.38377	1.4
105.07035	100.0
107.08597	48.1
107.09665	1.8
109.06448	5.4
109.10154	46.4
110.10407	1.5
111.08049	4.0
113.77682	1.5
113.98022	1.5
117.06955	1.9
119.08583	82.2
121.10146	43.5
123.08006	5.2
123.11703	19.2
125.45679	1.5
131.08582	11.4
133.10136	33.8
135.07968	2.9
135.11693	30.8
137.09573	2.2
137.13260	17.4
142.07735	1.9
143.08470	4.8
145.10120	16.0
147.07986	4.7
147.11687	26.9
149.09523	2.3
149.13272	25.5
151.14729	1.6
157.01826	1.4
157.10170	7.2
159.11722	14.5
160.12405	1.7
161.09581	2.0
161.13264	18.2
163.11159	2.7
163.14847	18.8
169.10066	3.2
171.11639	5.3
172.82568	1.4
173.13268	12.2
175.11108	1.4
175.14824	51.9
177.12689	1.7
177.16397	32.3
179.14273	2.1
183.11534	3.8
184.83473	1.7
185.13239	3.5
187.14830	13.7
189.16380	57.0
191.14188	3.4
191.17957	34.8
193.15710	3.5
197.13101	1.8
199.14793	3.5
201.16423	10.3
203.14134	6.8
203.17992	27.1
205.15770	3.4
205.19391	3.3
207.17458	10.6
209.18973	7.3
211.14830	1.6
213.16246	6.1
215.17972	14.7
217.15906	17.9
217.19383	6.9
219.17230	6.6
227.17813	4.1
229.15851	2.8
229.19397	4.7
231.17361	4.0
231.20888	2.8
233.19049	14.3
235.16940	12.7
239.17795	2.6
241.19363	4.1
243.21033	3.2
245.18922	3.6
245.22626	1.9
247.20430	2.1
253.19330	2.3
255.20929	3.5
257.18845	2.0
257.22314	1.7
259.20389	2.0
267.21231	1.7
269.18964	2.0
271.20221	2.1
281.81757	1.4
287.20044	2.2
293.22205	1.9
351.26590	1.7
379.33408	2.3
381.34940	2.0
389.31598	6.2
397.34265	2.2
407.32800	26.3
407.37595	2.0
425.33630	88.4
426.34219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03954	0.4
55.05520	2.1
57.03431	0.5
57.07065	0.8
65.03929	0.4
67.05508	3.4
69.03423	0.5
69.07073	3.4
69.20442	2.6
77.03920	0.3
79.05493	2.8
81.07059	6.1
83.04990	0.6
83.08614	1.8
83.70317	0.2
85.06553	0.3
91.05477	3.9
93.07044	6.9
95.04973	0.8
95.08612	8.5
97.06535	0.6
97.10184	0.6
105.07034	6.2
107.04951	0.6
107.08603	11.6
109.06538	2.4
109.10167	5.6
111.08086	0.7
113.04640	0.2
115.05451	0.3
117.07037	1.3
119.08586	9.8
121.06505	2.5
121.10148	7.6
123.08064	1.3
123.11717	2.7
129.06996	0.6
131.08563	3.4
133.06483	0.9
133.10130	6.3
134.10413	0.2
135.08060	23.6
135.11707	4.2
136.08395	0.3
137.09616	0.8
137.13277	1.4
141.07045	0.4
142.07759	0.4
143.08556	1.6
144.09317	0.5
145.06480	0.7
145.10132	5.1
147.08041	5.2
147.11699	5.6
149.09636	6.2
149.13257	2.3
151.11215	1.1
153.12752	0.3
155.08554	0.7
156.09377	0.6
157.10149	2.2
158.07283	0.4
158.10860	0.3
159.08089	1.4
159.11684	4.0
161.09627	4.7
161.13252	3.7
163.11168	0.9
163.14851	1.6
165.05550	0.3
165.09158	1.7
169.10132	0.9
170.10858	0.6
171.08041	1.0
171.11711	2.1
172.12402	0.3
173.09627	1.8
173.13277	2.9
175.11206	3.2
175.14848	2.0
177.12755	0.4
177.16412	1.0
179.14366	0.4
181.10063	0.3
183.11700	1.2
185.09677	0.9
185.13257	2.8
186.10320	0.3
187.11188	2.5
187.14827	4.2
188.15414	0.3
189.12764	2.7
189.16391	8.4
191.17967	0.6
195.11748	0.4
197.09619	0.3
197.13280	1.1
199.11234	1.8
199.13060	0.4
199.14781	2.0
201.12759	3.5
201.16373	2.9
202.17117	0.3
203.14311	4.5
203.18018	0.9
205.12279	0.3
205.15988	0.3
207.17453	1.0
209.13431	0.4
211.11304	0.4
211.14908	0.5
213.12759	1.2
213.16452	0.5
215.14349	1.9
215.17947	1.0
217.15889	8.4
217.19449	0.7
219.13808	0.4
219.17368	0.4
223.14931	0.3
225.12756	0.7
225.16356	0.5
226.13509	0.3
227.14359	1.1
227.18008	0.8
228.02263	0.2
229.15842	0.8
229.19589	0.8
239.14127	0.4
241.15961	1.4
243.17487	0.4
251.18103	0.4
253.15823	1.2
253.19531	0.5
255.17632	0.6
255.21156	0.4
263.17996	0.5
265.19537	0.4
267.17520	0.9
267.67636	0.3
271.20880	0.4
281.19019	0.8
285.22116	0.3
287.03751	1.5
289.05420	1.3
319.24384	0.6
337.25241	5.5
355.26367	1.1
389.32193	0.4
407.33188	2.5
425.18454	1.9
425.34149	100.0
426.34567	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	425.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05512	6.1
57.07050	1.7
58.49080	0.8
67.05172	1.2
67.05503	14.6
69.07074	7.2
70.69232	2.5
79.05489	4.3
81.07064	12.9
83.04990	1.5
83.08616	4.1
91.05467	4.4
93.07045	11.2
95.04956	1.2
95.08614	100.0
97.10159	2.2
105.07031	10.1
107.08602	16.6
109.06503	1.8
109.10152	10.8
111.08028	0.8
117.06991	1.2
119.08571	16.9
121.06506	1.3
121.10150	11.6
121.26080	1.0
123.01846	1.0
123.08081	1.0
123.11723	5.6
131.08575	3.7
133.10138	8.7
135.08051	1.4
135.11693	10.1
137.09624	1.9
137.13240	4.7
143.08542	1.6
145.10121	5.3
147.08037	2.0
147.11676	8.6
149.13263	5.2
151.32011	0.8
153.09059	1.0
157.10101	2.0
159.11700	4.6
161.09618	1.3
161.13254	5.5
163.11240	0.8
163.14838	2.7
165.09085	1.7
171.11671	2.3
173.13283	3.8
175.11186	1.4
175.14844	7.1
177.12680	2.3
177.16394	1.5
185.13266	1.2
187.14871	4.1
189.12737	2.8
189.16383	16.4
191.17957	17.2
193.15880	1.6
199.14790	2.8
201.16389	3.5
203.14311	10.1
203.16049	1.2
203.17960	6.8
205.15872	2.2
205.19530	1.1
207.17569	1.7
209.13319	1.0
211.14734	0.9
213.16455	1.8
215.17880	1.9
217.15884	10.1
217.19493	2.6
219.17447	1.9
223.14842	1.0
229.15965	1.5
229.19394	1.8
231.17628	0.9
233.15402	3.3
235.16945	1.0
239.18015	1.1
241.27457	0.8
243.17419	1.7
245.18956	1.6
253.19409	1.4
255.17451	2.2
255.20990	1.5
257.19083	2.2
269.18930	0.9
271.20331	1.2
285.22144	1.0
311.23685	1.3
313.25195	6.5
389.32239	2.2
407.33096	57.7
408.33551	1.9
425.34140	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	Maragenin II
Peak:m/z	Relative Intensity
53.03949	1.1
55.05508	6.5
57.07076	1.7
58.95361	0.9
66.91712	1.0
67.05504	12.9
69.07072	7.7
70.70042	3.0
71.86013	0.9
79.05486	5.6
81.07057	14.6
83.08597	3.2
91.05470	3.6
93.07059	10.6
95.08605	100.0
96.67144	1.1
97.10168	2.4
105.07030	10.6
107.08589	16.0
109.06525	1.7
109.10163	11.6
117.07037	1.5
117.09332	0.9
119.07806	1.2
119.08581	14.5
121.06492	1.6
121.10149	12.1
123.08060	1.4
123.11709	4.2
131.08536	4.8
133.06516	1.2
133.10110	10.5
135.11699	9.8
137.09601	1.0
137.13255	5.1
142.07764	1.0
143.08560	2.9
145.10107	4.3
147.08037	2.0
147.11693	6.9
149.09601	1.2
149.13229	4.9
151.14796	1.0
157.10117	2.8
159.11693	5.6
161.09578	3.0
161.13303	5.7
163.14822	1.9
165.09134	1.0
169.10130	1.1
171.11644	1.9
173.13301	2.2
175.11188	2.3
175.14828	5.5
177.12744	1.3
177.16360	1.2
185.13242	1.2
187.14815	4.4
189.12704	3.8
189.16377	15.0
191.17926	17.9
193.15926	1.3
199.14777	2.8
201.16312	4.8
203.14296	11.5
203.17960	5.1
205.15787	2.5
205.19521	1.6
207.17448	1.8
213.16354	1.4
215.17920	2.0
217.15924	12.7
217.19533	1.6
219.17365	2.6
226.84564	1.0
229.15935	2.3
229.19325	2.1
233.15425	3.7
241.19264	1.0
243.21016	1.2
251.18013	1.0
255.17384	1.5
255.21101	1.0
257.19171	2.3
269.22598	1.3
271.20609	1.9
311.23526	1.8
313.25284	5.8
379.33533	1.5
389.32184	1.8
407.33084	61.2
408.33582	1.5
425.34082	41.0
426.34369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05503	0.8
57.07074	0.3
65.03958	0.2
67.05505	2.1
69.07064	2.1
71.03416	0.3
71.03755	0.3
75.88440	0.2
79.05501	1.2
81.07055	3.0
82.07441	0.2
83.08626	0.9
87.55104	0.2
91.05486	1.5
93.07048	2.8
95.08604	4.9
97.10172	0.5
105.07029	3.2
107.04952	0.9
107.08597	4.5
109.10155	3.9
116.09670	0.2
119.08586	6.2
119.09857	0.3
121.06480	0.4
121.10140	3.0
123.08006	0.3
123.11713	2.0
126.85675	0.3
131.08557	0.4
133.06487	4.9
133.10118	3.1
134.22931	0.2
135.08057	0.6
135.11699	1.6
137.09583	0.5
137.13245	0.5
145.10127	0.8
147.08031	1.9
147.11687	2.6
149.13258	0.8
157.10146	0.5
159.08017	0.3
159.11703	0.8
161.09656	1.7
161.13260	3.9
163.14816	0.9
169.10107	0.3
171.11728	0.5
173.09633	0.4
173.13231	1.1
175.11188	8.3
175.14784	1.3
177.12767	1.0
177.16354	0.4
183.11720	0.3
185.10799	0.4
185.13274	0.3
187.11186	0.3
187.14835	0.6
189.12738	3.8
189.16376	2.7
191.17989	0.3
203.14304	7.0
203.17828	0.2
205.15974	0.2
215.14357	0.5
215.17905	0.4
217.15875	13.3
217.19438	0.7
219.17523	0.3
227.18008	0.3
229.15826	0.5
231.17488	0.6
243.17461	0.7
255.17575	0.3
257.18988	0.5
269.18622	0.3
271.20673	0.5
291.84039	0.2
382.28641	1.1
389.31992	0.3
407.33170	0.5
425.34143	100.0
426.34387	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	425.3419
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05508	3.1
57.07088	1.3
58.32744	0.6
59.05013	0.7
61.92176	0.7
64.28808	0.6
66.13171	0.7
67.05505	5.5
69.07079	7.5
70.64810	1.4
70.65144	1.3
79.05503	3.4
79.97681	0.8
80.05386	0.6
81.07063	8.9
83.08624	2.1
91.05474	5.2
93.07059	8.1
95.04964	1.3
95.08620	15.2
97.06515	0.8
97.10191	0.7
105.07032	8.9
107.04962	1.0
107.08603	11.8
109.10165	9.6
111.08086	1.5
117.07085	1.0
119.08595	19.7
121.06506	0.9
121.10166	8.7
123.08052	1.2
123.11732	4.1
125.09685	0.7
131.08588	3.0
133.06479	3.2
133.10138	14.0
135.08101	3.7
135.11729	7.2
137.09679	1.3
137.13301	1.4
138.90742	0.7
139.11192	1.0
143.08487	1.4
145.10149	3.8
147.08081	2.0
147.11707	6.4
149.09677	1.3
149.13297	2.3
151.11206	1.9
157.10138	2.2
159.11719	2.9
161.09645	2.1
161.13316	4.4
163.14890	2.0
171.11713	2.0
173.13278	6.2
175.11159	3.4
175.14876	7.2
177.12766	0.9
177.16388	0.9
185.13315	1.6
187.14854	3.0
189.12756	1.4
189.16388	9.5
191.14323	2.9
191.17973	2.1
193.16031	0.8
199.14905	1.2
201.12859	1.0
201.16454	2.3
203.14333	32.3
203.17911	4.4
205.15878	6.6
207.17488	4.0
213.16306	0.9
215.18002	1.4
216.96539	0.6
217.15924	20.9
217.19458	1.9
219.17549	1.0
225.16417	0.9
229.19539	0.8
241.19647	0.7
243.21213	0.7
253.19470	1.2
254.73515	0.7
267.20984	0.8
305.63721	0.7
389.31949	1.6
407.33093	10.5
425.34180	100.0
426.34534	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05515	2.6
57.07050	1.0
63.06227	0.5
64.16068	0.5
67.05504	4.6
69.07084	3.9
69.32864	4.9
79.05501	3.5
81.07061	7.5
83.04996	0.9
83.08622	2.0
84.40990	0.5
91.05473	3.8
93.07046	7.7
95.04930	1.1
95.08609	12.7
97.06512	1.0
97.10164	1.1
98.82384	0.6
103.81959	0.6
105.07027	7.3
107.08605	12.0
109.06521	1.9
109.10159	6.9
115.05468	0.7
117.07034	1.3
119.08590	11.9
121.06509	2.3
121.10151	7.7
123.08086	1.3
123.11692	3.1
129.07034	1.6
131.08595	3.8
133.06470	1.3
133.10123	6.7
135.08063	20.3
135.11697	4.6
137.09639	1.1
137.13290	2.0
141.07005	0.6
142.07680	0.6
143.08545	1.5
145.06531	0.8
145.10117	5.9
147.08084	5.0
147.11694	6.4
149.09628	5.6
149.13272	2.9
151.11177	1.1
155.08534	0.9
157.10121	2.4
159.08128	2.0
159.11711	4.9
161.09639	5.1
161.13275	4.0
163.11139	0.7
163.14856	2.2
165.09074	0.9
169.10213	0.7
170.10838	0.7
171.08006	0.8
171.11731	2.3
172.08896	0.9
173.09633	2.4
173.13261	3.9
175.11194	2.7
175.14822	3.0
177.12779	0.8
177.16362	0.7
183.11713	1.4
185.09677	0.7
185.13245	2.4
187.11203	2.5
187.14832	4.7
189.12779	2.2
189.16411	9.8
191.17947	1.8
195.11748	1.1
197.13321	1.4
199.11134	1.0
199.14880	2.8
201.12773	2.2
201.16370	2.9
203.14368	4.1
203.17989	2.2
205.15935	0.9
207.17421	1.0
209.13344	0.7
211.14813	0.7
213.12871	0.9
213.16479	1.1
215.14333	2.3
215.17838	0.8
217.15881	9.6
217.19376	1.0
219.13803	0.9
221.15828	0.5
223.14883	0.9
225.16196	0.8
227.14380	0.7
227.18079	1.0
229.15903	0.9
229.19601	0.6
241.15889	1.6
243.17546	0.7
253.15753	0.9
253.19638	0.8
257.18906	0.7
273.22253	0.7
319.24133	1.2
337.25223	6.5
355.26407	1.3
380.39883	0.6
383.78217	0.6
407.33139	5.3
425.34152	100.0
426.34985	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05507	2.9
57.07072	1.2
60.73125	0.5
61.92822	0.4
65.03942	0.4
67.05234	0.4
67.05511	5.3
67.38773	0.4
69.07072	4.5
70.91372	0.9
74.83674	0.4
79.05499	2.6
80.51769	0.4
81.07059	6.9
83.08626	1.9
84.21693	0.5
85.06565	0.6
86.09705	1.7
91.05497	3.1
93.07056	6.4
95.04963	0.8
95.08609	13.0
97.06554	0.8
97.10175	0.6
105.07043	7.6
107.04980	0.6
107.08598	12.0
109.06488	0.5
109.09476	0.7
109.10162	9.7
111.08094	0.7
111.11726	0.5
117.07021	0.8
119.08600	11.5
121.06462	0.5
121.10146	7.9
122.10452	0.7
123.08097	0.5
123.11711	2.9
125.09637	0.5
131.08551	2.9
133.06500	3.4
133.10141	8.5
135.08058	0.7
135.11700	6.9
137.09535	0.8
137.13274	1.8
143.08540	1.4
145.10130	3.3
147.08078	2.0
147.11699	7.7
148.12054	0.5
149.09631	0.8
149.13264	3.4
151.14827	0.7
157.10152	1.3
159.11699	1.8
161.09674	1.8
161.13281	4.6
163.11230	0.5
163.14816	1.8
165.12833	0.6
169.10083	0.8
171.11728	1.8
173.09627	0.6
173.13274	3.8
175.11209	6.5
175.14777	3.8
177.12714	1.3
177.16406	0.8
179.14334	1.0
183.11729	1.3
185.13313	1.0
187.11186	0.7
187.14920	2.2
189.12721	2.7
189.16403	6.3
191.14317	0.7
191.18044	2.6
197.13213	1.0
199.14821	1.9
201.12723	0.5
201.16429	1.8
203.14328	13.8
203.17989	2.0
205.15871	0.7
207.17380	2.8
211.14822	0.8
213.16447	1.2
215.18011	1.6
217.15903	10.8
217.19337	2.1
219.17526	0.8
227.18027	1.1
229.19501	0.8
231.17398	0.9
239.18042	1.6
241.19647	0.8
243.17531	0.8
253.19539	2.5
255.21184	1.0
267.21082	0.9
271.20770	0.7
283.16965	1.6
284.17191	4.2
285.22214	0.6
339.23343	0.7
340.23444	3.6
389.32126	0.9
407.33102	4.5
407.37372	0.5
425.34146	100.0
426.34604	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3418
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03937	1.6
55.05511	5.0
57.03426	1.4
57.07087	1.5
57.75757	0.8
61.25220	0.9
67.05515	7.7
69.03429	1.2
69.07079	7.9
69.26365	1.8
69.26772	7.0
71.05001	1.2
77.35289	0.9
79.05504	7.0
81.07067	20.6
83.04983	1.9
83.08627	3.1
85.02895	2.0
87.18380	1.0
91.05496	8.2
93.07050	16.9
95.04933	1.0
95.08618	29.0
95.54391	0.9
97.10171	1.5
98.20747	2.1
98.56505	1.2
105.07047	25.0
107.08612	25.5
109.10175	14.5
111.08110	1.2
117.07064	2.4
119.08598	25.2
120.08166	1.3
121.02884	1.5
121.06497	1.0
121.10158	16.3
123.11720	6.3
128.06192	1.4
129.07019	3.0
130.06548	2.9
130.07819	1.2
131.08597	10.1
133.10143	15.1
135.08060	1.4
135.11708	12.8
137.06090	1.0
137.13271	2.6
138.09145	1.6
142.07793	2.3
143.08588	8.8
145.10135	14.5
147.08003	1.5
147.11714	18.1
149.09590	1.0
149.13304	5.7
155.08607	2.8
156.09373	1.3
157.10162	11.4
159.11726	12.7
161.09674	1.0
161.13274	18.4
163.03914	2.1
163.14920	4.4
165.12773	4.0
168.09328	1.1
169.10155	4.9
170.10977	1.3
171.11696	8.3
173.13269	6.8
175.14867	7.9
177.05511	1.1
177.16475	2.3
178.04875	1.1
179.14337	11.4
183.11710	3.3
185.13292	12.4
187.14813	6.2
189.16403	10.2
191.14319	1.9
191.17998	3.7
193.15895	8.5
197.13297	3.7
199.14836	12.4
201.16364	5.1
203.14381	8.1
203.17950	2.0
205.15910	1.5
207.17487	3.1
209.13327	1.6
211.14870	3.4
213.16409	3.0
215.18027	2.3
217.15900	5.4
217.19513	4.8
219.13853	1.6
219.17540	3.2
225.16391	3.2
227.17987	3.4
231.17574	2.6
237.16498	1.4
237.87485	1.0
239.17966	2.3
241.19601	2.1
245.19009	2.7
251.18056	1.6
253.19565	3.6
255.21130	2.6
257.18985	1.4
257.22751	1.1
259.20596	3.4
263.13928	1.3
267.20975	4.5
269.19144	2.8
271.20633	9.6
273.11789	1.6
273.22156	14.1
283.20648	3.3
285.22162	19.5
311.23712	1.8
389.31915	1.4
390.27744	1.1
407.33176	14.9
425.17978	12.3
425.34204	100.0
426.34695	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3784
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05513	8.4
59.29898	2.9
63.27808	2.9
67.05510	23.7
67.24195	3.1
69.07075	15.7
69.34220	3.2
71.27230	5.5
79.05499	9.0
81.07068	45.1
83.08623	8.4
85.06554	5.4
89.06052	7.3
93.07053	23.6
95.08615	85.9
97.10190	3.8
105.07046	11.2
107.08598	34.0
109.10165	100.0
111.11755	8.8
119.08598	17.9
121.10154	24.6
123.08096	4.2
123.11729	29.7
128.92703	3.3
129.55653	3.0
133.10135	10.7
135.11673	16.9
137.13268	15.0
140.13312	3.0
145.10179	6.1
147.11700	10.0
149.13286	25.6
151.77405	3.1
155.81764	3.0
159.11728	9.1
161.13297	11.5
163.14861	15.3
175.14815	7.3
177.16440	7.4
187.14975	4.1
189.16396	11.5
191.17958	3.5
201.16508	7.3
203.17986	12.0
205.19576	19.8
207.17377	4.4
215.18039	6.1
217.19524	8.4
219.21115	9.6
229.19650	4.2
241.19345	3.1
271.24176	3.4
299.27502	5.1
307.37399	3.4
370.55920	3.9
407.36917	7.7
409.84375	3.1
425.21500	7.7
425.33267	4.5
425.38000	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
54.84676	1.1
55.05515	10.0
56.52927	0.9
57.07068	4.4
65.03949	1.1
67.05506	23.8
69.07071	18.6
69.48259	7.2
71.08618	1.7
79.05494	10.7
81.07062	52.9
83.04967	1.2
83.08624	8.7
85.55965	1.0
91.05491	9.5
93.07047	25.4
95.04941	1.6
95.08610	100.0
97.06543	1.4
97.10181	5.1
105.07029	20.8
107.08601	42.1
109.06526	1.4
109.07366	1.0
109.10159	54.6
111.08102	2.4
111.11735	3.5
117.07017	2.7
119.08588	27.1
121.10141	35.3
123.08076	1.4
123.11707	24.1
125.09611	1.2
129.06989	1.4
130.36227	1.2
131.08557	6.0
133.10132	23.1
135.11694	29.2
137.13260	24.2
139.11185	4.4
143.08559	3.6
145.05435	1.0
145.10123	9.8
147.11694	18.7
149.13263	24.2
151.11249	1.3
151.14818	2.9
153.12784	2.3
157.10101	5.2
159.11708	14.1
161.13252	15.8
163.14835	15.2
165.12804	1.8
169.10101	1.4
171.11697	4.8
173.13280	10.7
175.14848	12.8
177.16396	12.1
179.14442	1.1
185.13300	4.7
187.14813	10.7
189.12790	1.3
189.16391	17.5
191.14394	1.4
191.17986	10.7
193.15886	1.4
195.17435	9.7
197.13190	1.0
199.14798	3.7
201.16377	8.1
203.14374	5.8
203.17964	18.2
205.15979	2.0
205.19530	10.5
207.17445	6.7
213.16399	3.3
214.17328	1.1
215.17957	10.7
217.15945	1.7
217.19489	7.9
219.17528	2.7
219.21115	2.4
221.18974	2.9
225.16447	1.1
227.17972	4.0
229.19522	13.0
231.21024	9.5
233.18922	2.0
235.20665	1.1
241.19545	7.1
243.21078	11.1
245.09438	1.2
245.22652	1.8
247.20651	1.5
249.18600	2.5
255.21086	11.2
257.22665	7.9
259.24213	2.6
269.22681	4.6
271.24252	5.5
273.22150	1.3
275.20035	3.3
283.24243	3.1
285.25790	3.3
287.20044	2.8
289.21552	3.3
301.21567	7.4
315.23187	1.7
323.27740	1.2
327.23355	1.3
329.24692	1.6
367.33640	1.7
379.33664	16.5
389.32178	2.1
407.32404	11.2
407.36942	4.3
425.21591	3.6
425.33563	70.9
425.38425	11.7
426.34311	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	14.4
57.07064	8.1
67.05509	29.3
69.07072	33.5
71.04993	14.4
71.08636	2.0
77.41341	1.8
79.05486	15.3
81.07059	100.0
83.08627	14.9
91.05486	14.0
93.06489	2.3
93.07050	43.8
95.04915	2.2
95.08615	83.1
97.10154	6.4
99.08069	2.5
105.07037	31.9
107.08599	64.0
107.13086	1.9
109.10167	69.3
111.08091	2.4
111.11707	5.2
117.07027	2.9
119.07806	3.1
119.08595	42.4
121.10151	58.3
123.11718	33.6
123.54808	1.8
125.68797	1.8
127.11180	13.5
131.08568	9.5
133.10138	30.1
135.11703	46.6
137.13237	19.9
139.11183	3.5
145.10130	15.7
146.10817	2.5
147.11690	26.5
149.13261	30.1
151.14841	3.7
153.12715	3.9
157.10147	4.8
159.11699	21.5
161.13287	23.8
163.14833	15.2
171.11697	5.4
173.13300	17.0
175.14838	19.5
177.16409	24.3
187.14828	13.5
189.16422	14.4
191.17938	13.2
193.15839	3.8
195.17462	9.4
199.14845	2.4
201.16370	8.9
203.17958	17.8
213.16437	4.8
215.17975	10.0
217.19533	14.3
227.17897	5.6
229.19516	11.7
231.17583	2.4
231.21130	9.7
241.19370	2.6
243.21086	4.5
257.22665	5.4
259.24252	5.6
269.22858	3.3
271.24246	5.8
283.24271	4.9
285.25793	5.6
301.25052	3.6
322.59076	2.0
339.30640	3.4
343.29926	4.5
407.36719	14.9
425.37833	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	9.9
57.07067	2.8
59.50352	1.8
67.05501	19.5
69.07068	21.9
69.17891	5.6
69.18295	18.6
79.05490	9.0
81.07051	43.2
83.08616	8.9
84.01320	2.1
91.05462	6.1
93.07048	29.8
95.08606	80.4
96.65700	2.4
97.10157	3.5
98.20779	5.2
105.07042	15.9
107.08593	47.7
109.10159	72.0
111.08061	4.1
111.11715	7.3
117.06992	3.5
119.08582	27.7
121.10143	42.8
123.11713	30.3
131.08594	6.2
133.10136	29.0
135.11690	30.0
137.13271	12.6
145.10107	7.5
147.11690	20.7
149.13257	26.1
151.11211	2.3
151.14816	3.7
153.99913	2.1
159.11746	12.5
161.13254	17.9
163.14832	19.4
173.13313	10.3
175.14806	16.5
177.16396	15.5
179.14409	4.2
179.18034	3.9
185.13162	2.2
187.14867	10.1
189.16389	17.4
191.17932	14.5
192.33481	2.5
193.15945	2.7
199.14832	3.8
201.16367	7.0
203.17947	10.5
205.19481	19.1
207.17487	8.5
213.16408	2.5
215.18007	10.1
217.19502	17.1
219.21100	8.0
229.19547	8.5
231.21103	9.0
243.21004	12.2
245.22728	9.9
247.20685	4.2
257.22665	6.3
259.24210	5.1
261.22229	4.4
269.22644	9.3
270.49335	2.0
271.24188	10.0
272.99344	2.6
273.25821	2.9
274.84512	2.7
283.24274	2.9
285.25815	6.5
287.23648	3.8
295.97449	2.5
311.27420	3.3
323.27271	2.6
329.28308	10.5
407.36688	35.1
425.37793	100.0
426.38373	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.39618	2.2
55.05510	19.9
57.07087	6.4
63.14700	2.4
66.85743	2.7
67.05508	27.6
69.07079	26.6
69.57792	15.3
71.04993	4.1
79.05479	14.5
81.07059	55.1
83.08623	11.5
91.05471	20.9
93.07043	40.5
95.08610	75.2
97.10160	9.8
105.07029	35.4
107.08604	62.9
107.09299	4.1
109.10162	60.5
111.08096	7.2
111.11703	4.6
117.07063	3.8
119.08585	51.5
121.10153	52.5
123.11733	37.9
127.11227	3.0
131.08591	9.8
133.10146	55.8
135.11696	52.5
137.13292	12.0
139.11171	3.2
145.10124	15.2
147.11694	54.2
149.13260	33.3
151.11232	8.5
159.11711	16.7
161.13258	39.0
163.14839	23.2
171.11679	5.0
173.13338	12.7
175.14873	21.2
177.16370	16.6
179.14301	2.8
179.17998	4.6
185.13312	5.3
187.14896	12.2
189.16382	36.3
191.17928	16.4
201.16469	7.7
203.17990	42.9
205.19518	13.5
207.17444	39.2
215.18048	12.0
217.19548	32.7
219.21115	3.8
221.19016	4.2
229.19487	17.8
231.21091	9.3
243.21114	7.7
245.22766	11.3
247.20650	8.4
255.21078	5.2
257.22687	7.0
269.22806	4.2
271.24271	10.0
285.25809	6.3
297.26025	4.6
339.49924	3.4
407.36771	36.1
425.37927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.71555	1.7
53.06923	1.6
55.05513	14.6
55.05740	2.6
56.04980	1.5
57.07084	8.1
58.48486	1.8
65.69005	1.7
67.05509	26.5
69.07068	28.0
69.32408	5.1
69.32832	8.7
69.92865	1.9
71.04988	3.6
79.05478	12.4
81.07057	52.2
83.04967	2.2
83.08608	14.7
91.05478	13.6
93.07044	36.6
95.08611	71.4
96.08919	1.8
97.06548	2.0
97.10187	8.9
98.20694	3.0
105.07038	21.4
107.08595	54.6
109.06495	2.1
109.10163	58.9
111.08092	2.3
111.11710	4.0
111.43408	1.6
117.06973	2.9
119.08580	30.9
121.10150	39.7
123.11704	29.5
127.11193	7.9
131.08572	7.4
133.10141	26.9
135.11699	43.5
137.13268	13.5
139.04651	1.6
143.08542	3.4
145.10104	12.7
147.11690	27.7
149.13266	26.8
151.11333	2.4
153.12798	3.3
157.10172	2.1
159.11678	18.2
161.13255	24.0
163.14844	13.1
167.14319	3.1
171.11728	3.0
173.13303	15.2
174.94998	1.8
175.14821	17.3
177.16364	14.3
179.18126	1.8
185.13301	4.7
187.14867	9.7
189.16370	14.9
191.18011	9.9
193.15889	2.9
195.17424	3.8
199.14903	3.8
201.16452	8.3
203.17952	10.6
207.17490	2.7
213.16364	2.4
215.18001	7.3
217.19597	12.3
227.17976	5.1
229.19519	15.1
231.21082	14.4
241.19653	2.0
243.21033	3.8
245.22766	3.1
255.12154	1.8
257.22729	7.8
259.24338	6.5
271.24249	8.0
273.25677	1.7
285.25754	9.4
315.26913	1.9
343.30127	3.5
369.31595	2.4
407.36652	12.6
425.37744	100.0
426.38107	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	2.5
55.05516	16.8
57.07098	4.1
67.05510	26.9
69.07079	27.0
69.43407	5.0
69.43805	10.9
73.29659	1.8
79.05489	16.5
81.07067	58.0
83.08627	10.0
91.05477	16.9
93.07058	45.9
95.08614	100.0
97.10201	8.7
105.07037	31.5
105.07665	2.7
107.08605	64.2
107.09298	3.2
109.10164	72.4
111.08100	3.9
111.11741	4.9
117.07018	3.3
119.08590	45.1
121.10152	56.3
123.08113	3.8
123.11710	35.0
125.09625	3.7
131.08594	9.8
133.10133	31.9
135.11708	40.7
135.12718	3.0
137.13246	17.6
139.11226	3.8
142.11079	2.1
145.10155	12.9
147.11693	33.5
147.12773	2.3
149.13269	43.9
149.14372	3.5
151.14864	4.3
157.10213	2.7
159.11694	13.4
161.13277	31.9
163.11316	2.2
163.14835	30.6
171.11874	2.4
173.13248	10.9
175.14838	17.1
177.12880	2.1
177.16406	23.5
179.14447	7.5
179.18060	2.2
185.13232	3.0
187.14830	13.0
189.16405	23.1
191.17957	50.5
191.19569	2.9
193.16090	2.8
201.16396	12.9
203.14413	2.0
203.17976	39.0
203.19763	3.2
205.16020	2.7
205.19534	22.8
207.17592	7.0
213.16405	3.9
215.17935	14.2
217.19516	40.3
219.17511	2.8
219.21184	5.3
221.19109	5.2
227.18129	3.5
229.19589	10.8
231.21187	9.3
233.19049	10.1
235.20633	10.8
243.21217	7.7
245.22888	6.6
247.20702	5.9
255.21133	2.5
257.22830	4.0
269.22791	3.7
271.24374	3.7
275.23816	2.4
283.24393	2.9
285.26016	2.6
297.25574	2.9
309.09094	1.8
311.27335	2.6
337.28937	2.3
376.02499	1.9
407.36765	29.0
425.38046	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.79960	2.0
55.05504	11.4
57.07061	4.7
67.05508	18.7
69.07072	24.9
69.18579	13.8
69.19006	8.7
70.15806	2.6
79.05495	8.7
81.07062	44.8
83.08615	10.6
91.05470	7.9
93.07044	27.6
95.08610	84.8
97.10165	7.1
104.14872	2.2
105.07043	18.6
107.08596	46.3
109.10159	70.5
109.10916	3.7
111.08107	2.9
111.11699	5.0
119.08586	33.5
121.10149	45.1
123.11714	26.5
131.08549	4.1
132.23906	2.4
133.10147	26.7
135.11687	32.5
137.13264	12.5
145.10097	10.9
147.11707	20.0
149.13264	19.6
159.11710	9.5
161.13269	19.0
163.14850	13.2
171.11771	3.5
173.13290	9.2
175.14842	14.8
177.16371	9.4
187.14809	8.1
189.16417	16.4
191.17889	16.0
193.58218	2.6
201.16383	8.3
203.17924	12.8
205.19592	13.6
207.17448	6.2
215.17984	9.9
217.19539	13.2
219.17624	2.5
219.21147	3.8
229.19534	4.0
231.21126	4.6
233.19118	4.1
241.19479	2.8
243.21143	6.6
245.22617	12.1
247.20605	10.1
255.21118	4.5
257.22653	4.8
259.24176	3.1
261.22125	3.9
269.22607	5.5
271.24301	7.3
283.24152	2.8
285.25922	2.8
287.23666	2.5
296.92636	2.4
297.25827	3.4
338.64404	2.6
377.16403	2.5
407.36780	27.4
425.37799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.8
57.07076	1.0
61.90187	0.5
65.03944	0.8
67.05508	20.3
69.06770	0.6
69.07076	5.4
79.05498	3.9
81.07063	14.6
83.08613	2.8
85.06552	0.7
87.04459	2.2
89.06033	1.9
91.05496	3.2
93.07049	8.1
95.08613	18.0
96.23456	0.6
97.06592	0.8
97.10162	1.9
104.58858	0.5
105.07047	8.1
107.08601	11.7
109.06525	0.8
109.10166	57.3
111.08127	0.6
117.07024	0.8
119.08582	9.2
121.10149	11.4
123.08079	2.1
123.11723	5.6
125.09617	1.6
131.08594	2.0
133.08617	1.0
133.10133	6.7
135.08044	1.4
135.11717	9.4
137.13258	3.0
143.08594	0.9
145.10127	3.5
147.11682	6.3
149.09619	0.6
149.13261	5.7
157.10143	1.7
159.11725	3.1
161.09674	0.8
161.13257	4.9
163.14850	4.0
165.12788	0.5
170.68056	0.6
171.11674	1.6
173.13333	2.7
175.11104	0.7
175.14819	3.2
177.16428	2.6
179.14333	0.6
185.13286	1.8
187.14836	3.0
189.16429	4.5
191.14355	1.0
191.17986	5.7
199.14873	1.0
201.16327	2.9
203.14351	1.6
203.17963	4.9
205.19531	1.1
207.06294	1.3
207.17551	1.7
213.16409	1.7
215.17987	2.0
217.15988	1.2
217.19571	5.2
219.17430	3.2
225.16501	0.7
227.17879	0.9
229.19586	1.9
235.20667	0.8
239.14893	2.1
240.15266	1.4
241.19691	0.6
243.20985	0.9
255.21146	1.2
257.22748	1.1
269.22809	1.0
281.13574	3.5
309.13171	1.2
365.19370	14.1
369.15588	0.9
389.31793	0.6
407.32697	4.4
407.37775	0.9
425.21527	100.0
425.33530	16.2
425.38571	3.4
426.21823	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05312	1.3
55.05518	14.5
57.07060	6.2
65.03954	2.0
67.05164	2.4
67.05502	26.5
69.07069	24.6
69.34776	5.2
69.35199	5.0
79.05493	13.0
81.07058	51.4
82.40474	1.3
83.08615	11.7
85.06524	1.6
91.05472	13.7
93.06474	2.2
93.07046	35.8
95.08611	100.0
97.10191	7.6
98.21624	1.3
105.07038	30.9
107.08599	60.8
109.06483	1.8
109.10160	60.3
111.08094	1.9
111.11717	4.4
112.05083	1.5
117.07008	2.6
119.08588	39.8
121.10144	41.8
123.08065	2.2
123.11710	26.0
123.14539	1.5
125.09624	2.4
126.48136	1.3
129.07033	1.8
129.22160	1.6
131.08551	6.2
133.10139	30.9
135.11700	39.3
137.09595	1.7
137.13261	17.1
139.11191	1.8
139.68571	1.4
142.78629	1.5
143.08630	2.3
145.10168	9.1
147.11679	25.3
149.13264	32.0
157.10121	3.5
159.11685	10.4
161.13255	23.1
163.14842	21.5
165.09023	1.6
169.10146	2.2
173.13287	8.3
173.49260	1.7
175.11221	1.7
175.14819	18.1
177.16396	18.9
179.14310	3.3
183.69128	1.8
185.13249	2.1
187.14798	9.4
189.16399	18.1
191.14334	1.9
191.17952	56.5
193.15958	1.4
199.14793	4.4
201.16364	8.1
201.18037	1.5
203.14363	6.8
203.17947	29.1
205.16161	2.0
205.19498	23.8
207.17409	4.1
213.16367	2.1
215.17973	14.4
217.15836	4.0
217.19521	37.0
217.21585	2.5
217.84015	1.5
219.17453	3.0
219.21101	1.9
221.18954	6.3
229.19502	9.3
231.21036	5.3
233.15337	1.9
233.19025	8.2
235.16927	2.5
235.20499	8.0
245.22704	4.9
247.20599	5.0
255.21053	3.8
257.22693	3.8
267.60510	1.5
269.22375	1.6
285.21863	1.7
363.31409	1.7
407.32291	10.0
407.36865	6.7
425.21313	2.1
425.26279	1.2
425.27695	2.2
425.33768	21.1
425.37799	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03969	1.6
53.18716	1.3
55.05513	14.0
57.07086	6.5
58.45627	1.4
59.45015	1.5
67.05507	29.0
67.48596	1.3
69.07067	27.1
70.78630	1.8
70.78978	3.0
79.05494	12.9
79.05837	1.1
79.17796	1.4
80.55737	1.4
81.03487	1.5
81.07059	67.5
83.05021	1.8
83.08624	13.5
91.05476	11.2
93.07046	37.2
93.07610	2.5
95.05023	2.3
95.08610	100.0
97.06564	3.0
97.10165	8.0
103.01418	1.5
105.07035	32.2
107.08596	61.1
109.06557	2.6
109.10158	70.8
111.08098	3.2
111.11762	5.0
117.06969	1.6
119.08585	35.5
121.10142	46.3
123.08112	2.0
123.11710	33.3
125.09657	3.3
131.08553	8.6
133.10133	31.8
135.08142	1.5
135.11696	44.3
135.12683	2.5
137.09656	1.7
137.13260	29.4
137.14233	2.2
143.08594	2.5
145.10129	14.5
147.11691	33.2
147.12749	2.3
149.09752	1.7
149.13261	25.0
151.14909	3.9
153.12759	1.6
157.10191	4.8
159.11678	15.4
161.13266	32.1
163.14809	24.0
171.11794	4.5
173.13298	13.7
175.14827	20.9
177.16364	14.8
179.14388	3.3
179.17982	2.0
185.13414	4.3
187.14815	15.9
189.12790	1.5
189.16380	22.1
191.14355	1.8
191.17940	25.5
193.16054	1.9
199.14822	2.6
201.16385	15.8
203.14453	2.1
203.17969	31.1
203.19740	1.9
205.16063	2.6
205.19516	11.5
207.17525	5.4
213.16544	4.2
215.17984	11.7
217.16003	1.5
217.19496	20.2
219.17607	4.0
219.21198	3.8
221.19196	1.5
227.18117	5.6
229.19572	8.2
231.21040	9.3
233.15623	1.6
233.19051	3.1
235.20528	2.2
241.19650	2.7
243.21193	4.6
245.19302	1.6
245.22705	3.5
247.20747	1.9
255.21248	4.5
257.22583	7.0
259.20770	1.4
259.24240	3.0
269.22861	4.3
271.24405	2.7
273.22278	1.8
275.23923	2.5
283.24448	4.2
285.25961	2.1
287.23819	2.3
297.25766	2.3
301.25500	2.3
325.29092	2.0
337.29358	1.9
337.98944	1.4
365.32367	2.1
381.35275	2.8
389.32651	1.5
407.32480	3.1
407.36975	30.5
425.38113	96.3
426.38568	2.2
427.20285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03956	2.0
55.05514	14.6
55.42660	1.1
57.07078	5.5
60.19241	1.0
65.03936	1.4
66.98567	1.0
67.05177	2.1
67.05509	30.7
69.03409	1.6
69.06722	1.9
69.07073	22.7
69.82633	5.2
71.05020	1.3
71.08631	1.2
71.81240	1.2
79.05498	18.3
81.07064	60.1
83.04992	1.5
83.08633	10.2
91.05476	11.5
93.07053	40.6
95.04941	1.5
95.08617	100.0
97.06541	5.8
97.10184	6.7
98.21489	1.4
99.08062	1.2
103.05508	1.5
105.06396	2.1
105.07041	31.6
107.08601	65.6
109.06499	2.1
109.10165	76.5
111.08098	4.9
111.11716	3.5
113.12083	1.4
117.07008	3.4
119.06046	1.1
119.08592	40.0
121.06572	1.7
121.10157	48.0
123.08061	2.6
123.11719	28.4
125.09645	5.5
127.11224	1.7
131.08621	7.9
133.10146	30.5
135.08041	2.7
135.11711	39.1
137.09612	1.6
137.13264	17.0
143.08574	3.5
145.10149	12.6
147.11693	32.1
149.09624	1.5
149.13272	29.0
151.11153	1.7
151.14859	2.9
157.10132	3.9
159.11711	16.8
161.13271	24.8
161.14598	1.6
163.14838	23.0
165.12851	2.1
169.10196	1.3
171.11758	3.1
173.13277	9.7
175.11243	1.2
175.14851	12.9
177.12679	1.4
177.16397	7.8
179.14365	6.5
183.11691	1.4
185.13251	3.9
186.08029	1.2
187.14793	9.1
189.16412	21.2
191.17963	35.4
199.14757	1.8
201.16350	11.9
203.14334	4.5
203.17969	25.0
205.15924	5.4
205.19540	7.6
207.17471	8.0
211.14786	1.2
213.16425	1.8
215.17944	10.5
217.15997	3.1
217.19539	26.8
219.17459	2.5
219.21138	3.9
221.19020	2.2
227.17953	2.8
229.19490	5.8
231.17526	2.1
231.21094	2.5
233.19041	4.8
235.20624	2.7
240.70616	1.3
241.19579	2.9
243.21063	6.0
245.22729	4.2
247.20839	1.6
253.19505	1.7
255.21082	2.3
256.55252	1.3
257.22653	4.0
259.24518	1.8
269.22675	1.9
271.20551	3.1
271.24170	3.1
273.22110	2.1
283.20578	1.5
289.21619	1.8
297.25705	1.9
299.27414	1.9
341.28207	1.3
343.29755	1.6
351.30386	1.4
389.31839	1.9
407.32758	6.8
407.37479	15.9
425.33694	24.3
425.37842	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.3
56.96569	1.9
57.03415	3.0
57.07055	5.4
58.90134	1.8
63.22894	1.5
67.05515	26.4
69.06736	1.5
69.07077	19.0
69.44964	2.6
69.45370	9.7
79.05500	15.2
81.07066	42.6
83.08625	9.8
85.02918	1.6
85.06523	1.6
85.10211	1.6
91.05479	13.1
93.07052	30.8
95.04927	2.4
95.08615	96.0
97.06528	3.6
97.10145	5.4
98.21524	1.7
105.06406	1.8
105.07047	28.8
107.04955	1.9
107.08607	46.2
109.06496	2.8
109.10169	56.3
111.08080	3.3
111.11675	2.1
114.80627	1.6
119.08590	35.8
121.06480	3.3
121.09342	2.5
121.10153	35.3
123.08054	3.2
123.11728	19.7
125.09589	2.9
131.08540	8.0
133.06441	2.2
133.09137	2.4
133.10139	25.6
133.53035	1.7
135.08028	4.0
135.11708	29.3
137.09554	1.6
137.13269	12.2
143.08543	3.8
145.10133	12.4
147.07993	3.4
147.11688	22.3
149.12251	1.5
149.13303	21.6
150.13617	2.2
151.11212	2.0
151.14890	2.2
155.08582	2.4
156.09357	1.7
157.10043	3.3
159.11699	8.1
161.12160	1.9
161.13289	18.7
163.11086	3.1
163.14822	11.5
171.11682	3.7
173.13249	6.8
175.11162	4.1
175.14816	14.5
177.12747	2.3
177.16391	12.3
179.14240	2.8
179.99846	1.4
183.11713	2.5
185.13242	3.0
187.14821	9.5
189.12692	3.6
189.16411	23.0
191.14259	4.2
191.17960	60.7
193.15846	3.5
199.14783	3.8
201.16280	6.1
203.14333	13.0
203.17982	12.8
205.15819	5.5
205.19508	7.8
207.17355	4.1
213.16324	2.3
215.17937	4.2
217.15967	19.6
217.19521	29.9
219.17332	2.6
221.18900	2.4
229.19380	4.2
233.18883	4.6
235.20599	14.5
241.19284	1.7
243.21036	2.5
245.22739	3.0
255.21082	2.7
257.22589	2.8
269.22635	2.7
271.20383	3.7
271.24384	1.9
283.24026	2.2
349.29074	1.7
351.26559	2.0
369.27908	2.5
407.32901	17.7
407.36972	2.2
425.33853	100.0
426.34039	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	1.9
55.05509	12.4
57.07080	4.9
65.03947	1.2
67.05502	18.4
69.07068	22.7
69.23840	2.4
69.24245	5.2
71.05013	1.1
71.08598	1.4
79.05492	11.6
79.31922	0.8
81.07056	38.5
83.08622	10.1
91.05478	12.0
93.07046	30.1
95.04996	2.0
95.08606	67.8
97.06528	2.2
97.10154	6.4
98.20698	1.4
105.04542	0.8
105.07030	36.2
106.20842	0.8
107.08597	56.6
109.06509	1.6
109.10154	48.1
111.08120	2.2
111.11723	2.9
117.07040	3.0
119.08580	49.9
121.06552	1.1
121.10143	45.4
123.08085	2.3
123.11716	24.2
123.12576	1.7
125.09645	1.3
125.13290	0.9
128.82391	0.7
128.83316	1.0
131.08566	7.4
133.10130	37.3
135.11694	33.9
135.12712	1.8
137.09633	1.2
137.13258	11.8
143.08546	1.8
143.78673	0.8
144.09395	1.1
145.10118	14.9
146.10983	0.8
147.11688	40.4
149.13254	18.2
151.11182	1.5
151.14822	1.3
153.12773	0.9
157.10161	2.7
159.11681	14.7
160.12579	1.1
161.13257	31.2
162.13660	0.8
163.14821	20.2
165.12776	1.7
165.16440	1.3
166.25618	0.8
171.11694	3.2
173.13240	7.2
175.11305	0.8
175.14818	15.4
177.12787	1.3
177.16388	7.5
179.14310	8.5
183.11729	1.2
185.13321	2.7
187.14783	9.1
189.16382	25.2
191.14369	1.4
191.17952	28.1
192.05946	0.9
199.14886	3.4
201.16406	12.3
203.17961	44.1
205.15968	1.1
205.19547	6.1
207.17447	8.5
211.14835	0.9
213.16342	2.0
215.17937	12.1
217.16068	1.7
217.19507	37.7
219.17513	1.4
219.21017	4.5
221.19006	1.0
227.17973	1.3
229.19658	2.7
231.21201	3.8
233.19122	1.6
241.19545	1.3
243.21179	2.3
245.19063	1.1
245.22668	7.3
245.24498	0.7
255.21147	2.3
257.22766	3.0
259.24292	2.1
261.22226	0.9
261.25946	1.2
269.22650	1.1
271.24246	3.3
273.22195	1.1
273.25906	2.0
279.76700	1.0
283.24319	1.0
285.25879	2.6
287.24127	0.9
351.30725	1.1
369.31647	1.2
407.36945	24.8
425.25629	2.1
425.37982	100.0
426.38107	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	425.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.3
56.96569	1.9
57.03415	3.0
57.07055	5.4
58.90134	1.8
63.22894	1.5
67.05515	26.4
69.06736	1.5
69.07077	19.0
69.44964	2.6
69.45370	9.7
79.05500	15.2
81.07066	42.6
83.08625	9.8
85.02918	1.6
85.06523	1.6
85.10211	1.6
91.05479	13.1
93.07052	30.8
95.04927	2.4
95.08615	96.0
97.06528	3.6
97.10145	5.4
98.21524	1.7
105.06406	1.8
105.07047	28.8
107.04955	1.9
107.08607	46.2
109.06496	2.8
109.10169	56.3
111.08080	3.3
111.11675	2.1
114.80627	1.6
119.08590	35.8
121.06480	3.3
121.09342	2.5
121.10153	35.3
123.08054	3.2
123.11728	19.7
125.09589	2.9
131.08540	8.0
133.06441	2.2
133.09137	2.4
133.10139	25.6
133.53035	1.7
135.08028	4.0
135.11708	29.3
137.09554	1.6
137.13269	12.2
143.08543	3.8
145.10133	12.4
147.07993	3.4
147.11688	22.3
149.12251	1.5
149.13303	21.6
150.13617	2.2
151.11212	2.0
151.14890	2.2
155.08582	2.4
156.09357	1.7
157.10043	3.3
159.11699	8.1
161.12160	1.9
161.13289	18.7
163.11086	3.1
163.14822	11.5
171.11682	3.7
173.13249	6.8
175.11162	4.1
175.14816	14.5
177.12747	2.3
177.16391	12.3
179.14240	2.8
179.99846	1.4
183.11713	2.5
185.13242	3.0
187.14821	9.5
189.12692	3.6
189.16411	23.0
191.14259	4.2
191.17960	60.7
193.15846	3.5
199.14783	3.8
201.16280	6.1
203.14333	13.0
203.17982	12.8
205.15819	5.5
205.19508	7.8
207.17355	4.1
213.16324	2.3
215.17937	4.2
217.15967	19.6
217.19521	29.9
219.17332	2.6
221.18900	2.4
229.19380	4.2
233.18883	4.6
235.20599	14.5
241.19284	1.7
243.21036	2.5
245.22739	3.0
255.21082	2.7
257.22589	2.8
269.22635	2.7
271.20383	3.7
271.24384	1.9
283.24026	2.2
349.29074	1.7
351.26559	2.0
369.27908	2.5
407.32901	17.7
407.36972	2.2
425.33853	100.0
426.34039	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	15.2
57.07066	6.6
63.99090	2.2
67.05505	27.8
69.03418	2.5
69.07075	24.7
70.11634	8.1
72.00205	1.8
79.05479	13.1
81.07053	53.6
83.08627	12.7
89.06015	6.0
90.06342	2.2
91.05461	9.1
93.06479	3.6
93.07040	39.7
95.04958	3.1
95.08610	93.8
97.10168	6.4
99.08062	2.4
105.07027	37.1
107.07877	3.2
107.08598	63.8
109.06498	3.0
109.10154	68.0
111.08089	4.2
111.11675	2.7
117.06985	3.2
119.07704	2.3
119.08578	57.1
121.10140	59.7
123.08105	4.5
123.11708	24.5
131.08560	7.8
133.08614	3.4
133.10138	46.5
135.11697	46.1
137.13260	15.6
143.08534	4.0
145.10146	13.2
147.11693	36.6
149.13251	21.8
151.14774	4.0
156.09161	2.2
157.10124	8.4
159.11700	20.0
161.13255	32.5
163.14832	21.5
165.12724	3.8
171.11694	5.7
173.13251	9.2
175.14825	18.7
177.16409	14.8
179.14301	3.7
183.11664	3.5
185.13234	6.1
187.14784	15.0
189.16373	23.3
191.17957	25.8
199.14792	2.1
201.16362	13.7
203.17952	47.1
205.16107	3.0
205.19524	11.4
207.17416	4.2
213.16336	2.6
215.17938	8.3
217.15967	4.3
217.19531	36.1
219.17459	2.7
219.21144	4.1
227.17877	6.7
229.19627	10.9
231.21097	4.4
233.19029	2.5
234.23732	2.3
239.17844	2.3
240.15279	2.5
241.19376	2.6
243.21042	5.3
245.18971	2.8
245.22769	3.2
247.20686	3.0
255.21005	2.7
257.22665	4.8
259.24023	2.6
269.22549	2.9
271.24005	4.2
273.22293	2.7
285.25641	2.7
311.23633	5.3
397.31006	4.5
407.32620	7.6
407.37332	21.9
425.38327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08555	1.2
53.03942	1.6
55.05516	15.5
55.71529	1.4
57.07065	5.9
65.03925	2.0
67.05180	2.1
67.05508	30.0
69.03416	2.9
69.06731	1.7
69.07069	24.6
71.04993	1.6
71.08628	1.6
74.89326	1.2
77.03941	1.5
79.05489	16.5
81.07059	61.1
83.08640	12.6
85.90299	1.2
91.05485	16.0
93.07047	40.2
95.04955	1.8
95.08609	100.0
97.06516	5.5
97.10192	9.3
98.20749	4.5
105.07036	32.9
107.08599	67.8
109.06535	2.6
109.10162	78.2
111.08102	1.9
111.11718	4.1
117.07008	3.0
119.08586	42.9
121.10147	46.1
123.08036	4.2
123.11717	31.7
125.09621	6.9
131.08592	8.4
133.10133	37.1
135.08086	2.2
135.11697	45.7
137.13266	21.5
143.08585	3.2
145.10136	14.0
147.11697	30.9
149.13269	29.9
151.11293	2.2
151.14842	3.2
157.10120	5.4
159.11694	15.7
159.40683	1.4
161.13252	25.1
163.11137	2.1
163.13618	1.7
163.14850	22.5
165.12721	2.5
169.10103	1.9
170.10884	1.7
171.11659	3.1
173.13292	11.7
175.11171	2.4
175.14841	16.5
177.12878	2.3
177.16425	11.3
179.14313	4.5
179.18033	1.8
182.04932	1.3
185.13245	10.3
187.14833	10.0
189.12727	2.2
189.16393	29.2
191.14314	2.6
191.17950	37.9
195.07712	1.3
197.13290	2.2
199.14812	6.4
201.16397	13.4
203.14340	17.4
203.17949	22.6
205.15990	3.4
205.19562	10.8
207.17439	17.1
213.16394	2.8
215.17976	9.4
217.15930	4.2
217.19507	25.8
219.17487	4.0
219.20984	3.2
221.19041	2.5
227.17842	2.3
229.19513	4.5
231.17358	1.6
231.21088	2.9
233.18938	4.1
235.20601	2.4
241.19650	2.1
243.21091	3.1
245.22652	4.4
249.18671	1.3
253.19550	1.8
255.21098	3.2
257.18878	1.5
257.22598	3.0
269.22626	1.8
271.24286	2.0
283.24109	1.9
299.27405	2.9
325.28641	1.6
351.30814	1.5
389.31973	2.1
407.32001	8.7
407.37524	13.6
425.33890	46.8
425.37936	41.4
426.38922	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	8.2
57.07085	2.8
65.03959	1.5
67.05512	24.9
68.89616	1.2
69.07069	12.2
70.78693	3.0
71.05029	1.0
78.89491	1.2
79.05512	6.4
81.07060	28.3
81.07523	1.8
83.08642	4.4
91.05470	7.5
93.07055	18.0
95.08611	38.4
97.06599	1.3
97.10180	2.7
105.07032	31.0
107.08595	30.3
107.09294	2.0
109.10162	100.0
110.10592	1.4
111.26591	1.2
114.87844	1.2
117.07032	1.2
119.08583	32.2
121.10146	22.0
121.10919	1.6
123.11699	13.7
123.12428	1.1
131.08609	3.2
133.10143	28.9
135.11691	22.1
137.13306	5.4
145.10133	7.7
147.11684	29.1
147.12762	1.8
149.13275	11.6
151.14969	1.3
157.10155	1.8
159.11707	8.4
160.12454	2.3
161.13254	27.0
163.14867	10.5
171.11745	1.5
173.13359	4.7
175.14824	11.9
177.16484	5.1
177.56671	1.2
179.14417	2.5
185.13367	2.8
187.14882	5.4
189.16371	8.9
191.17952	11.8
192.13992	1.2
201.16428	5.8
203.17967	97.5
205.19630	2.3
207.17432	2.5
213.16467	1.4
215.18106	4.4
217.16165	1.6
217.19531	17.3
227.18120	1.9
229.19577	3.1
231.21106	1.8
233.18979	1.2
235.71437	1.3
241.19716	1.5
243.21173	1.8
245.22763	3.5
257.22852	2.9
259.20712	4.2
271.24271	2.7
273.25967	1.5
275.23761	1.6
285.25919	2.4
369.31732	1.4
407.32465	2.1
407.37326	8.6
425.38052	90.8
426.38208	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	426.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.96555	0.8
57.03427	1.4
61.02924	0.5
69.03438	2.1
71.03269	0.9
71.04986	1.5
72.08141	0.6
73.02918	1.9
74.40464	0.4
79.05454	0.5
81.03395	1.1
81.07069	0.9
85.02895	4.3
95.08618	1.1
97.02901	3.0
97.06522	2.6
98.97591	1.3
109.02871	0.9
109.10115	0.4
110.29643	0.4
113.05988	0.9
115.03936	1.1
115.07586	3.0
117.33065	0.5
119.04936	0.5
119.08598	0.5
121.02903	0.7
123.04438	0.8
125.02353	0.6
125.06046	0.6
127.03942	1.6
127.23045	0.4
133.04988	1.7
136.77829	0.4
137.06033	0.9
139.03922	1.8
145.04980	1.6
158.99748	0.4
161.95517	0.5
162.05394	1.0
163.06122	0.5
178.05008	1.5
179.03453	1.0
180.06355	4.4
211.13100	0.5
222.07317	0.7
237.02815	0.8
237.95560	0.6
246.11168	0.5
246.99374	0.5
252.08472	0.9
259.08157	0.5
259.11765	1.2
264.12283	0.9
272.10867	0.7
281.08661	0.6
282.09576	1.7
298.57776	0.4
299.03525	0.6
299.20477	0.5
340.10043	14.9
342.11536	3.6
343.99698	0.6
426.17453	100.0
427.19473	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.9
55.05503	3.6
57.03439	15.5
59.04982	1.7
61.02698	1.0
61.02931	10.9
69.03085	1.6
69.03433	27.0
69.07045	1.4
69.61440	4.0
69.61851	3.1
71.01347	3.0
71.04976	3.0
71.89849	1.0
73.02920	22.4
77.11285	1.0
79.05489	1.5
81.03421	5.2
81.07047	2.5
85.02908	100.0
87.04460	4.8
91.03986	5.4
91.05482	1.8
92.16297	1.0
93.07035	2.1
95.08598	2.9
97.02287	2.0
97.02896	33.1
97.06515	1.2
97.10155	4.6
99.04476	2.5
103.03925	1.9
105.07018	2.3
107.08573	2.4
109.02896	7.2
111.40855	1.3
115.03945	12.6
115.11198	4.4
119.08551	3.5
127.03918	28.4
132.06564	1.7
133.04968	17.7
143.10728	1.1
145.04968	56.0
147.11723	1.3
150.07602	3.5
151.03922	1.5
163.06036	25.7
175.97034	1.1
178.05019	1.1
189.16304	1.2
193.12128	1.4
193.50671	1.3
196.69724	1.0
198.13570	1.1
199.06003	1.1
223.06073	1.7
241.07198	2.6
259.08191	2.8
277.09015	1.3
277.16507	1.5
286.22418	1.2
408.33313	1.9
423.69983	1.3
426.34509	8.0
427.19299	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
69.03433	1.5
69.40961	6.1
70.06600	0.9
71.04992	2.1
71.31858	0.7
72.08125	0.9
73.02891	0.9
77.03915	1.0
77.79916	0.8
77.80421	0.9
83.04996	1.0
83.96582	0.7
85.02888	3.4
97.02888	2.4
98.20815	1.8
111.04433	1.1
121.02829	1.0
123.04459	7.4
125.09661	0.8
127.03910	2.3
135.04451	1.5
137.02385	0.8
139.03912	12.1
150.07765	14.2
151.03947	1.0
153.01825	3.5
160.02713	0.8
160.04167	1.1
163.03912	3.3
163.12384	1.0
165.05400	1.1
167.03345	1.3
167.07050	1.0
174.87485	0.9
177.01627	2.0
179.03410	2.2
191.03397	3.1
192.03958	10.7
192.12566	0.9
193.04877	2.2
201.05421	1.1
203.03455	2.4
229.04970	2.0
229.52238	0.8
233.04543	1.4
245.04379	1.7
247.06039	2.2
247.10674	0.9
247.14363	4.3
252.84381	0.9
255.06355	1.0
257.04355	2.2
257.06635	1.1
259.05920	1.0
265.15463	7.0
269.04312	0.9
271.05865	0.8
275.02625	0.8
275.05591	5.1
279.05667	0.7
283.06021	3.2
287.05545	6.9
289.07196	1.4
295.11569	2.7
299.05591	0.9
301.06891	1.0
303.01382	1.0
409.09351	3.5
427.12131	100.0
427.20483	14.9
428.12509	1.7
435.22565	1.0
437.20914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96670	0.2
53.05941	0.2
55.01862	0.3
55.05500	0.2
56.96562	0.2
57.03436	0.4
57.04553	0.4
66.86734	0.2
68.99776	0.3
69.03423	0.5
69.79376	0.8
70.06580	0.3
70.33846	0.1
71.01355	0.2
73.02900	0.5
84.49639	0.2
85.02901	1.1
91.05501	0.2
94.04038	1.3
97.02892	0.4
97.10151	0.2
98.20696	0.2
98.97581	0.8
115.11195	0.2
116.98600	0.2
117.53873	0.2
119.03677	0.2
123.04435	1.4
123.06669	0.7
127.03915	0.3
133.05067	0.3
135.04401	0.5
135.05386	0.4
136.07629	0.2
137.99788	0.2
139.02928	0.3
139.03909	2.8
145.04950	0.2
148.06224	0.2
150.07753	100.0
151.03905	0.2
151.08057	0.6
158.99626	0.3
163.03925	0.8
164.07069	0.3
167.03395	0.3
175.03796	0.2
176.05783	0.3
179.03386	0.6
191.03394	0.8
192.21883	0.2
193.04985	0.3
201.05493	0.3
203.03432	0.6
205.05086	0.2
219.01695	0.3
229.05095	0.4
229.07253	0.4
233.04472	0.4
234.99055	0.2
239.05878	0.3
242.04546	0.2
245.04498	0.4
247.06017	0.5
257.04449	0.5
257.06921	0.3
259.05878	0.4
271.06091	0.2
275.05515	1.2
282.12003	0.9
283.06009	0.5
287.05490	2.2
295.11508	24.1
296.11679	0.3
301.06940	0.7
367.07123	0.3
385.07724	0.2
409.09186	0.8
427.11127	0.9
427.19617	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	427.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03449	2.1
61.02945	2.0
69.03426	4.0
69.07076	1.6
69.25418	2.4
69.25820	8.5
70.06604	2.7
71.05000	3.0
81.03430	2.0
81.07041	1.4
82.25948	1.2
82.98725	1.1
85.02911	10.4
91.05483	2.4
93.07077	1.5
97.02915	3.3
98.97575	3.2
105.07049	1.8
107.04976	2.0
109.02875	2.4
112.07661	2.0
120.08113	1.6
121.02920	2.1
121.10163	1.5
123.04427	2.2
124.07603	7.6
127.03932	3.0
128.66907	1.5
131.08609	2.1
136.07611	1.6
137.06017	1.3
139.03900	2.1
143.08554	2.3
145.02908	1.3
157.57249	1.2
159.08099	2.4
159.11720	1.5
161.09648	1.7
164.07033	2.0
173.13332	4.4
177.05493	3.4
185.13315	7.7
201.12764	11.6
203.05273	1.5
229.12283	4.7
245.04253	1.3
247.13350	8.4
247.16982	1.4
265.11469	2.1
265.14316	17.9
266.14172	2.1
273.09448	15.0
283.12317	1.9
283.92035	1.2
295.05780	2.3
302.10226	1.7
325.07120	2.8
351.08463	2.1
377.21231	1.3
379.08014	1.6
391.08160	2.2
409.09241	5.3
427.19650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03449	2.1
61.02945	2.0
69.03426	4.0
69.07076	1.6
69.25418	2.4
69.25820	8.5
70.06604	2.7
71.05000	3.0
81.03430	2.0
81.07041	1.4
82.25948	1.2
82.98725	1.1
85.02911	10.4
91.05483	2.4
93.07077	1.5
97.02915	3.3
98.97575	3.2
105.07049	1.8
107.04976	2.0
109.02875	2.4
112.07661	2.0
120.08113	1.6
121.02920	2.1
121.10163	1.5
123.04427	2.2
124.07603	7.6
127.03932	3.0
128.66907	1.5
131.08609	2.1
136.07611	1.6
137.06017	1.3
139.03900	2.1
143.08554	2.3
145.02908	1.3
157.57249	1.2
159.08099	2.4
159.11720	1.5
161.09648	1.7
164.07033	2.0
173.13332	4.4
177.05493	3.4
185.13315	7.7
201.12764	11.6
203.05273	1.5
229.12283	4.7
245.04253	1.3
247.13350	8.4
247.16982	1.4
265.11469	2.1
265.14316	17.9
266.14172	2.1
273.09448	15.0
283.12317	1.9
283.92035	1.2
295.05780	2.3
302.10226	1.7
325.07120	2.8
351.08463	2.1
377.21231	1.3
379.08014	1.6
391.08160	2.2
409.09241	5.3
427.19650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.173
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
50.56695	0.5
56.96559	0.5
58.30499	0.4
68.31996	0.4
69.34076	1.7
69.34509	2.0
81.58944	0.4
85.02904	0.6
91.68340	0.6
97.02917	0.5
98.20792	1.0
98.97598	0.6
107.04960	0.7
107.08626	0.5
108.90637	0.5
124.07543	0.5
140.77585	0.5
160.50832	0.4
166.32968	0.4
168.87253	0.4
171.82803	0.4
193.04994	3.1
237.02811	0.7
247.16945	0.9
253.90108	0.5
266.62454	0.5
283.12180	2.1
301.13196	1.1
354.22482	0.5
390.05469	0.5
427.17252	100.0
428.17490	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	427.1736
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
50.71671	0.8
53.03944	0.6
55.05515	1.3
57.03446	1.3
61.02935	1.8
67.05511	2.3
69.03433	7.2
69.07080	1.5
70.06600	0.8
71.05006	1.2
71.07380	1.1
73.02932	1.3
79.05494	0.9
81.03412	1.9
81.07061	2.0
82.16410	0.5
83.08620	1.0
85.02914	9.6
85.06570	0.7
87.04471	1.1
91.04001	0.9
91.05472	3.0
93.07071	3.1
94.03745	0.6
95.04992	1.3
95.08629	6.9
97.02916	5.1
97.10188	1.0
98.97550	0.8
105.07040	4.9
107.04962	0.8
107.08599	5.1
109.02900	1.0
109.06581	0.8
109.10168	3.1
111.04493	0.7
111.08088	0.8
112.07584	0.9
115.03895	0.6
115.05467	0.9
117.07035	2.0
119.04992	0.8
119.08601	6.8
121.06561	1.0
121.10132	3.5
123.04438	1.2
127.03922	1.9
131.08572	5.3
133.06548	1.1
133.10146	3.6
135.08104	3.6
135.11737	1.1
137.06021	1.3
143.08586	0.8
145.04996	1.7
145.06512	1.0
145.10130	6.9
147.04466	0.8
147.08066	1.1
147.11691	1.6
149.06001	0.8
149.09634	1.3
151.07553	1.2
157.10130	1.2
159.08076	2.2
159.11690	6.3
161.09634	1.1
161.13283	1.2
163.07581	5.1
167.07095	1.3
169.10155	0.9
171.11644	0.8
173.09686	2.8
173.13292	2.6
177.09135	2.7
185.13316	0.7
187.11180	0.9
187.14821	1.7
191.10788	1.0
201.16386	5.6
203.05350	0.7
203.17996	0.7
210.14888	0.8
211.14845	1.1
219.17548	0.7
228.39845	0.6
229.15883	11.1
231.06560	1.4
247.13142	1.4
247.16986	13.1
265.14392	1.3
265.18054	3.2
267.33252	0.6
307.12375	0.7
403.56940	0.7
427.17551	100.0
427.23453	22.2
428.17816	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	427.1941
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
53.03938	0.4
55.01873	0.6
55.05514	0.5
56.96558	1.0
57.03428	1.2
59.14167	0.3
63.21883	0.3
67.05463	0.4
69.03420	1.1
69.07072	5.9
69.79241	1.5
70.07399	0.4
71.04972	0.5
73.02904	1.0
79.05489	0.4
83.04985	0.8
84.96014	0.5
85.02901	2.4
88.58158	0.3
97.02879	0.9
98.97587	4.1
99.04461	0.4
107.08618	0.4
109.02870	0.3
109.10147	0.6
110.97596	0.5
114.47314	0.3
115.03935	0.8
115.11234	0.5
116.98643	0.7
123.04420	1.6
124.07601	0.5
127.03946	0.8
128.98647	0.5
133.04973	0.6
133.10184	0.4
136.07600	0.7
137.07982	0.4
139.03931	1.9
140.98546	0.5
143.00140	0.5
143.08580	0.3
144.98096	0.4
145.02882	0.4
150.07741	6.4
153.01852	0.7
158.99724	1.5
161.01242	0.3
163.03928	0.5
164.07144	0.5
177.00734	0.7
177.05476	0.8
179.03401	1.3
183.11667	0.4
188.54893	0.5
191.03442	0.6
201.00632	0.4
201.12767	1.1
203.03561	0.3
203.05309	0.5
206.08815	0.7
219.01801	1.4
224.09898	0.6
229.04893	0.4
236.56100	1.1
237.02924	0.7
237.05907	0.3
245.56493	0.4
247.13214	0.8
247.17087	0.4
257.07794	0.4
265.11676	0.3
265.14243	1.2
273.09335	0.4
275.05396	0.6
287.05441	1.2
295.11600	0.9
315.43857	0.3
340.07098	0.7
358.08075	3.2
359.08734	0.6
361.12823	0.4
365.47406	0.3
367.07324	0.4
381.82382	0.3
409.09406	0.6
409.18622	0.5
419.11542	0.4
427.19427	100.0
428.20016	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	427.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57581	0.2
55.01875	0.5
55.05503	0.6
69.03429	0.3
69.07060	0.3
69.28464	0.2
69.62919	1.5
81.03398	0.2
83.04951	0.3
84.55107	0.3
85.02913	0.7
97.02866	0.4
97.10192	0.6
98.21509	0.3
98.97586	1.0
100.74625	0.2
109.10124	0.3
115.11177	0.4
116.98599	0.3
123.04436	3.0
127.03931	0.5
128.43277	0.2
135.04410	0.8
139.03906	5.3
147.04431	0.5
150.07750	13.9
151.03963	0.4
153.01776	0.4
158.99623	0.4
163.03902	1.2
167.03438	0.6
175.03929	0.5
177.00734	0.3
177.05394	0.5
179.03415	0.4
191.03426	0.8
193.05000	0.3
201.05356	0.3
203.03427	1.1
208.14590	0.3
213.05522	0.2
229.05046	0.6
233.04489	0.6
234.98933	0.2
245.04512	0.6
247.06070	0.7
257.04504	1.0
259.06186	0.3
265.14255	0.8
269.04736	0.2
270.12216	0.2
275.05420	1.5
283.06027	0.8
287.05502	3.3
295.11539	3.4
301.07135	0.9
352.57462	0.2
409.09015	1.2
427.19406	100.0
428.19714	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	427.1939
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
55.05494	0.2
56.96551	0.3
58.48142	0.2
69.03418	0.3
71.02094	0.2
71.08479	0.4
78.55431	0.2
79.59174	0.2
81.03404	0.3
84.17662	0.2
85.02905	0.6
97.02908	0.4
97.10147	0.3
98.97577	0.5
115.11179	0.4
123.04393	0.3
139.03929	0.8
146.05998	0.3
150.07782	0.3
153.01839	0.3
158.99545	0.2
161.06030	0.4
163.03867	0.6
167.42151	0.2
179.03368	0.5
196.99352	0.2
259.06265	0.3
271.06152	0.3
286.07324	0.2
287.05276	0.2
307.18875	0.2
341.10330	0.3
426.69476	0.3
427.19415	100.0
428.19919	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	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01876	2.5
55.05516	15.6
56.96562	1.7
57.03431	4.6
57.07065	1.2
59.05001	3.4
61.02937	5.9
65.03941	1.2
67.05509	4.9
69.03429	18.6
69.07070	7.2
69.94611	2.2
69.94990	4.7
71.05009	3.5
73.02901	2.1
76.65584	1.0
79.05501	5.2
81.03419	7.1
81.07059	9.9
83.04985	17.8
83.08633	3.2
85.02915	41.8
85.06577	1.7
87.04471	2.4
91.03966	1.4
91.05493	6.9
93.07037	8.7
95.04974	24.4
95.08617	10.4
97.02903	12.4
97.06539	1.9
99.04456	2.6
101.06025	11.4
105.07021	10.1
107.04977	2.4
107.08611	12.8
109.02912	6.9
109.06523	9.4
109.10178	10.5
111.04460	1.5
111.08141	1.6
117.07027	1.5
119.04907	1.2
119.08594	8.2
121.02892	2.1
121.06528	5.2
121.10162	9.4
123.04434	1.8
123.08092	3.2
123.11725	4.5
125.05968	1.9
127.03935	9.1
129.07059	2.3
131.08607	5.8
133.06470	1.9
133.10149	5.7
135.08058	8.9
135.11708	10.4
137.05995	2.4
137.09648	3.3
137.13319	1.8
139.03896	8.2
139.07552	1.1
140.04227	1.1
143.08583	2.0
145.04990	5.2
145.10103	7.9
147.08058	1.4
147.11711	7.5
149.09622	4.8
151.07594	2.5
157.10036	1.6
159.08090	4.5
159.11734	5.1
161.09634	3.3
161.13330	2.6
163.03828	1.8
163.11197	8.9
165.09116	1.6
165.12762	58.4
167.06998	2.5
169.10071	1.6
171.11725	3.2
173.09680	2.8
173.13257	2.3
175.11195	1.7
175.14752	1.5
177.09149	6.8
179.14531	1.0
187.14870	3.7
189.12766	4.2
191.10712	6.9
191.14282	1.5
195.48946	0.9
198.06697	1.2
201.16406	1.9
205.15927	7.8
211.14819	1.8
219.17496	2.6
229.15886	5.7
247.13356	1.4
247.13899	1.3
247.16953	33.4
265.18008	100.0
266.18353	1.2
275.10370	1.6
287.05804	1.0
384.15732	2.7
409.22119	1.3
427.18640	12.7
427.23236	24.6
452.30878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01876	2.5
55.05516	15.6
56.96562	1.7
57.03431	4.6
57.07065	1.2
59.05001	3.4
61.02937	5.9
65.03941	1.2
67.05509	4.9
69.03429	18.6
69.07070	7.2
69.94611	2.2
69.94990	4.7
71.05009	3.5
73.02901	2.1
76.65584	1.0
79.05501	5.2
81.03419	7.1
81.07059	9.9
83.04985	17.8
83.08633	3.2
85.02915	41.8
85.06577	1.7
87.04471	2.4
91.03966	1.4
91.05493	6.9
93.07037	8.7
95.04974	24.4
95.08617	10.4
97.02903	12.4
97.06539	1.9
99.04456	2.6
101.06025	11.4
105.07021	10.1
107.04977	2.4
107.08611	12.8
109.02912	6.9
109.06523	9.4
109.10178	10.5
111.04460	1.5
111.08141	1.6
117.07027	1.5
119.04907	1.2
119.08594	8.2
121.02892	2.1
121.06528	5.2
121.10162	9.4
123.04434	1.8
123.08092	3.2
123.11725	4.5
125.05968	1.9
127.03935	9.1
129.07059	2.3
131.08607	5.8
133.06470	1.9
133.10149	5.7
135.08058	8.9
135.11708	10.4
137.05995	2.4
137.09648	3.3
137.13319	1.8
139.03896	8.2
139.07552	1.1
140.04227	1.1
143.08583	2.0
145.04990	5.2
145.10103	7.9
147.08058	1.4
147.11711	7.5
149.09622	4.8
151.07594	2.5
157.10036	1.6
159.08090	4.5
159.11734	5.1
161.09634	3.3
161.13330	2.6
163.03828	1.8
163.11197	8.9
165.09116	1.6
165.12762	58.4
167.06998	2.5
169.10071	1.6
171.11725	3.2
173.09680	2.8
173.13257	2.3
175.11195	1.7
175.14752	1.5
177.09149	6.8
179.14531	1.0
187.14870	3.7
189.12766	4.2
191.10712	6.9
191.14282	1.5
195.48946	0.9
198.06697	1.2
201.16406	1.9
205.15927	7.8
211.14819	1.8
219.17496	2.6
229.15886	5.7
247.13356	1.4
247.13899	1.3
247.16953	33.4
265.18008	100.0
266.18353	1.2
275.10370	1.6
287.05804	1.0
384.15732	2.7
409.22119	1.3
427.18640	12.7
427.23236	24.6
452.30878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84087	0.5
53.03935	1.1
55.01881	1.2
55.05520	3.9
56.96559	0.7
57.03440	2.9
57.07077	2.1
59.05014	0.7
61.02942	3.6
66.11450	0.5
67.05523	3.6
67.63366	0.6
69.03072	1.0
69.03435	11.9
69.07072	2.9
69.76071	0.6
71.04993	2.3
71.54574	0.8
73.02922	2.1
79.05499	2.9
79.62762	0.5
81.03420	4.4
81.07072	3.8
83.04958	1.0
83.08613	2.2
85.02906	18.6
87.04481	2.6
91.03963	1.0
91.05474	4.9
93.07043	5.4
95.04984	1.9
95.08613	16.1
97.02895	8.6
97.10187	1.6
99.04462	2.1
103.03992	0.6
105.07037	11.2
107.04982	1.8
107.08598	9.5
109.02889	3.6
109.06504	1.1
109.10161	6.1
111.08108	0.9
115.03902	0.6
115.05462	1.2
117.07018	4.9
119.04934	1.0
119.08585	10.8
121.06524	2.8
121.10163	5.5
123.04439	1.4
123.08044	0.6
123.11696	1.4
125.05997	0.7
127.03904	4.9
127.60422	0.5
128.06238	0.7
129.07042	1.4
130.07771	0.8
131.04889	0.6
131.08574	13.0
133.06479	1.8
133.10138	10.2
135.08067	10.0
135.11664	3.0
137.06001	1.3
139.03914	1.1
139.07607	0.9
142.07811	1.2
143.08575	2.0
144.09343	1.3
145.04974	3.1
145.06487	3.8
145.10126	18.4
147.04419	0.7
147.08052	1.7
147.11707	4.3
149.05991	1.5
149.09612	1.9
149.13271	0.8
151.03923	0.6
151.07571	2.5
153.09137	0.9
155.08582	0.7
157.10143	2.2
159.08031	2.8
159.11691	16.6
161.09605	4.5
161.13271	2.0
163.07550	10.5
163.08810	1.0
163.11227	0.9
165.09111	0.8
167.07042	1.9
169.10152	1.6
171.11758	1.6
173.09671	4.7
173.13275	4.5
175.07570	0.7
175.11214	1.0
175.14847	1.0
177.09099	5.8
177.12654	1.0
177.16454	0.8
179.07161	0.8
181.10060	0.7
185.13254	0.7
187.11230	3.3
187.14827	4.1
191.10632	4.0
196.12378	0.7
201.09090	0.9
201.16379	15.4
203.18005	1.8
205.12292	2.1
211.14786	3.1
213.09073	1.0
219.13835	0.9
219.17473	2.3
229.15884	23.6
241.21068	0.7
246.73582	0.6
247.16951	27.0
252.07140	0.6
265.14841	0.8
265.17953	9.2
339.12985	0.6
369.13751	0.7
384.15567	1.4
409.16724	1.4
427.18402	6.3
427.23355	100.0
428.23599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74735	2.3
53.03932	8.4
55.01869	10.4
55.05510	85.5
57.03439	22.8
57.07079	3.0
59.04996	2.2
64.59502	1.7
65.03953	2.0
67.05178	2.8
67.05508	35.2
69.03432	11.8
69.07069	22.4
70.70616	6.0
71.04988	6.2
76.59850	1.8
79.05494	65.2
81.03417	90.3
81.07054	53.9
83.04981	19.3
83.08622	48.8
85.02906	28.3
85.06535	3.0
91.05479	33.0
93.07040	18.7
95.04968	34.7
95.08610	18.3
97.02872	5.7
97.06535	9.0
97.10170	45.3
105.07052	21.4
107.04945	6.8
107.08595	35.6
109.06519	7.3
109.10165	7.9
110.49547	2.0
111.04424	3.2
111.08097	13.0
113.05986	3.9
119.08597	20.7
121.06522	5.0
121.10147	17.0
123.11726	2.8
124.10773	2.1
125.09633	41.2
127.03870	2.0
129.06998	11.5
131.08574	17.1
133.06564	2.6
133.10138	12.7
135.08043	3.3
135.11646	3.6
142.07768	3.8
143.10684	8.1
145.10110	4.5
147.08064	3.2
147.11674	25.9
149.09608	8.8
157.10124	17.0
159.11676	2.9
161.13268	2.9
163.11241	3.4
165.12750	3.8
175.11185	16.7
175.14848	2.9
187.14857	3.3
189.16435	3.2
193.12245	96.5
194.73033	2.1
199.13293	25.2
201.16368	2.6
211.13274	75.9
217.14368	28.7
222.95317	2.0
249.14928	3.6
267.15909	40.0
273.46695	2.1
285.16956	19.2
295.20105	2.2
317.21231	10.3
335.22119	15.5
391.33090	2.8
409.25845	41.7
409.34631	7.6
427.20889	5.8
427.26913	100.0
427.34976	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	427.3574
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03928	0.3
55.05512	2.0
57.03420	0.2
57.07067	0.6
60.15998	0.2
67.05177	0.2
67.05509	2.6
69.07072	2.8
70.57182	0.5
71.08611	0.2
79.05498	2.3
81.07061	7.7
83.04990	0.4
83.08613	2.3
85.06565	0.3
91.05485	2.2
93.07047	6.3
95.04977	0.3
95.08612	11.8
96.08960	0.3
97.06551	1.3
97.10141	0.9
99.60215	0.2
102.87344	0.2
105.07031	5.5
106.99963	0.2
107.04922	0.2
107.08601	11.0
109.06534	1.3
109.10162	5.8
109.10926	0.2
111.08088	0.7
111.11708	0.2
117.06989	0.9
119.08587	7.4
121.06503	0.8
121.10143	6.1
123.07196	0.3
123.08076	5.8
123.11703	2.8
125.09661	0.5
128.06195	0.3
129.07008	0.4
130.07809	0.2
131.08572	3.4
133.10138	6.3
135.08073	1.3
135.11688	7.5
137.09607	0.7
137.13275	1.2
139.11188	0.2
143.08603	0.9
145.10132	5.2
147.11700	6.6
148.12012	0.2
149.09608	0.8
149.13257	3.9
151.11163	1.1
153.12689	0.2
157.10127	1.4
158.10800	0.3
159.11697	4.5
161.09624	0.3
161.13268	3.5
163.11162	0.5
163.14832	4.4
167.14255	0.2
169.10103	0.2
170.29913	0.2
171.11700	1.1
172.12453	0.2
173.13255	2.1
175.11157	0.4
175.14833	2.4
177.12851	0.9
177.16383	2.5
179.14301	0.5
185.13280	1.1
187.14835	5.1
188.15195	0.2
189.12772	0.4
189.16396	7.3
191.14348	0.5
191.17926	1.3
197.13258	0.3
199.14815	1.5
201.16397	5.0
203.14340	0.4
203.17973	4.5
205.15880	8.0
205.17842	0.4
205.19553	0.3
207.17458	6.0
211.14737	0.3
213.16418	1.0
214.17055	0.2
215.17990	1.8
217.19464	0.4
219.17471	2.1
221.18857	0.2
225.16437	0.4
227.17967	0.5
229.19557	1.3
231.17371	0.3
231.21063	0.3
239.17822	0.4
241.19492	0.6
243.21022	0.6
247.20599	0.2
255.21066	1.9
257.22632	0.4
267.20947	0.4
269.22586	1.2
272.03912	0.2
285.22202	0.2
287.23657	0.3
295.24042	0.3
297.21741	0.2
299.23996	0.2
305.24811	0.2
313.25247	0.3
331.26324	8.3
332.26437	0.2
350.20831	0.2
357.27914	6.7
391.33774	0.8
409.34799	3.2
427.35733	100.0
428.36044	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	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.38857	1.5
55.05511	3.5
57.07055	2.7
67.05503	7.0
69.07067	7.9
71.18790	2.5
71.19131	2.3
79.05492	6.7
81.07052	12.8
81.32579	1.5
83.08624	6.5
91.05489	4.1
93.07043	9.2
95.08614	15.9
102.77458	1.4
105.07014	7.9
107.08604	21.1
109.06527	2.6
109.10170	11.3
117.06992	1.8
119.08570	9.5
121.06508	4.3
121.10159	7.7
123.08066	12.8
123.11700	5.4
131.08560	3.5
133.10112	11.3
135.08049	5.0
135.11719	10.9
137.09615	6.2
137.13251	3.0
145.10138	7.9
147.11708	5.9
149.13226	3.8
157.10158	1.8
159.11684	5.2
161.09686	2.1
161.13333	3.1
163.14778	3.8
164.08253	2.0
165.09111	24.9
166.09474	3.5
173.13248	3.7
175.14908	1.9
177.12752	2.6
177.16451	3.5
183.37517	1.5
185.13301	1.7
187.14857	4.9
189.16423	8.3
191.18001	3.8
201.16422	2.7
203.17981	1.9
205.12183	3.8
205.15916	7.1
207.17487	9.6
213.16266	2.6
215.17914	1.8
236.17288	1.9
331.26279	26.1
357.27872	7.5
391.33801	1.6
391.55066	1.7
406.38651	1.9
409.34680	8.7
427.28748	12.0
427.35641	100.0
428.36154	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05500	6.2
57.07084	3.0
62.51270	1.5
67.05496	10.4
69.07063	15.7
69.21714	17.2
76.56467	1.6
79.05493	7.3
81.07057	26.5
83.08611	7.0
91.05481	11.9
93.07044	25.6
95.08611	38.2
97.10159	5.8
105.07032	24.3
107.08596	36.7
109.06564	2.8
109.10162	23.4
111.08051	2.9
117.07030	4.1
119.08578	25.0
121.10149	24.7
123.08115	2.3
123.11723	11.6
129.06970	2.2
131.08591	12.2
133.10109	16.8
135.11700	26.1
137.09631	2.1
137.13266	6.6
143.08542	5.3
145.10146	19.8
147.11710	15.2
149.13260	31.3
157.10104	4.7
159.11684	15.5
160.34070	1.7
161.13268	12.8
163.14832	24.4
165.09180	1.6
169.10237	2.7
171.11687	7.0
173.13278	18.7
175.14839	13.0
177.12785	2.4
177.16403	7.0
179.14322	3.7
183.11731	2.3
185.13293	6.5
187.14815	23.0
189.16380	15.1
191.14378	1.6
191.17953	6.7
197.13165	2.6
199.14845	7.9
201.16415	21.7
203.14339	7.0
203.17978	11.3
205.19652	2.0
207.17403	4.0
210.57877	1.5
211.14955	1.9
213.16414	7.0
215.17978	11.1
217.19420	3.1
219.17465	2.9
225.16463	2.8
227.17987	6.5
229.19487	12.8
233.18954	3.0
238.59329	2.1
239.17882	3.5
241.19534	8.2
243.21129	7.2
245.18994	3.8
245.22687	2.0
253.19495	7.0
255.21097	12.8
257.22678	6.9
259.20682	2.2
260.05984	1.7
267.21014	4.1
269.22647	11.3
295.24164	2.8
313.25110	1.9
329.46716	1.7
381.35239	3.1
391.33640	18.3
409.34671	100.0
418.60071	2.5
427.26831	2.0
427.36130	16.4
430.99832	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	427.3577
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
50.89112	1.4
53.03956	1.4
53.52558	1.4
55.05513	7.8
57.07077	2.0
67.05509	12.2
69.07075	18.7
70.11189	5.7
71.05000	1.6
79.05491	11.0
81.03439	1.5
81.07063	33.7
83.08633	7.2
85.06554	2.7
91.05492	7.2
93.07050	24.0
93.07622	1.7
95.08612	60.4
97.06507	2.4
97.10177	3.1
105.07037	16.7
107.08604	39.7
107.09303	2.6
109.06542	2.4
109.10168	40.5
111.08089	5.4
111.11765	1.5
117.07026	3.3
119.08599	25.4
121.10146	32.6
123.08101	3.3
123.11710	17.2
131.08542	10.0
133.10135	22.1
135.08112	2.7
135.11708	30.7
137.09660	3.5
137.13243	7.9
139.11259	1.6
143.08569	2.1
145.10130	14.6
147.11700	21.6
149.13266	22.9
151.11162	1.4
151.14890	2.3
157.10161	3.0
159.11679	7.6
161.13264	15.1
163.14842	22.8
165.09140	1.7
165.12790	3.6
171.11725	2.4
173.13284	8.5
175.11081	1.8
175.14867	8.8
177.12805	1.7
177.16412	18.2
179.14365	2.5
185.13290	3.3
187.14864	22.0
189.16389	34.8
191.14427	2.4
191.17981	12.9
199.14894	2.6
201.16484	9.2
203.17990	11.1
205.15891	99.0
205.19553	4.6
207.17459	50.4
213.16391	2.4
215.18022	8.2
217.19598	5.1
219.17424	9.3
219.21161	3.6
227.18100	2.1
229.19421	7.3
231.21118	2.1
233.15367	2.6
235.20674	2.3
241.19560	3.4
243.21104	2.3
247.20604	1.7
253.19528	1.8
255.21101	6.2
269.22641	3.7
273.22336	1.7
324.32657	3.2
391.33673	4.6
409.34628	26.6
427.19815	2.4
427.35815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05517	13.5
57.07065	6.0
59.10128	2.1
64.03788	2.1
65.23784	2.0
66.57175	2.2
67.05495	17.9
68.46592	2.0
69.07077	23.7
79.05500	12.5
81.03439	4.2
81.07056	64.1
83.04960	3.1
83.08611	14.7
91.05471	12.1
93.07046	36.9
95.08609	100.0
97.02921	2.2
97.10175	8.0
105.07036	22.4
107.07877	3.3
107.08601	57.4
109.10159	54.6
111.11745	2.8
117.07040	2.8
119.08583	39.5
121.10149	54.1
123.08062	2.3
123.11710	32.3
127.03955	3.1
131.08571	7.3
133.10124	27.2
135.11708	55.9
137.13237	16.4
139.11203	3.0
143.08556	2.7
145.10130	16.0
147.11676	23.3
149.13258	32.5
151.11229	3.2
157.10129	3.5
159.11700	13.6
161.13281	20.0
163.14830	24.2
165.12692	3.2
171.11649	3.7
173.13304	11.1
175.14838	23.6
177.16397	28.0
181.12112	2.9
185.13307	3.9
187.14821	26.4
189.16380	29.8
191.17963	60.3
193.15778	2.9
199.14781	2.9
201.16432	9.2
203.17969	7.8
205.15874	25.8
205.19456	5.2
206.04565	2.2
207.17393	28.5
213.16518	3.0
215.17966	6.5
217.19591	9.0
219.17461	5.4
220.93974	2.1
227.17856	2.8
229.19553	8.6
231.21098	8.0
241.19530	4.9
243.21091	12.0
245.22652	45.1
255.21121	9.4
257.22665	16.1
259.20511	2.7
259.24298	13.3
267.21094	2.6
269.22644	3.7
275.23758	2.5
285.22351	3.1
311.27579	3.7
319.08759	2.3
381.35190	79.0
391.33728	12.3
399.36240	30.9
409.29651	3.5
409.34708	42.5
427.19464	6.3
427.24683	19.1
427.30048	3.9
427.35812	74.7
428.37631	2.8
431.86667	2.5
447.11685	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	427.3572
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03933	3.5
55.05500	7.3
57.07064	4.5
61.97040	1.9
67.05508	17.8
69.03398	2.0
69.07069	23.0
69.47310	14.3
79.05483	11.6
81.06583	3.2
81.07056	46.4
83.08621	9.5
91.05475	11.6
93.07047	32.0
95.05006	2.5
95.08609	63.5
97.10157	6.1
105.07026	21.7
107.08600	52.3
109.10155	49.4
110.63533	1.8
111.08105	3.2
119.08583	35.8
121.06492	8.2
121.10149	51.3
123.08073	4.6
123.11707	25.0
131.08575	6.6
133.10126	29.1
135.08076	5.0
135.11691	29.5
137.09642	4.8
137.13248	8.6
139.37022	1.6
143.08551	4.1
145.10130	14.8
147.11699	19.9
149.09622	6.9
149.13252	31.5
157.10144	7.0
159.11700	14.9
161.09648	2.0
161.13263	16.4
163.11256	2.3
163.14816	26.0
165.12733	3.3
165.16394	3.2
167.10689	5.1
171.11707	7.2
173.13269	12.9
175.11353	2.2
175.14816	21.3
177.12776	6.3
177.16400	35.6
179.17851	2.6
183.11710	3.0
185.13315	5.1
187.14787	11.1
189.12794	2.6
189.16397	15.8
191.14288	2.7
191.17934	17.0
193.12291	9.5
193.15845	4.5
199.14839	7.5
201.16367	5.9
203.14394	2.4
203.17995	10.6
205.15915	5.5
205.19536	3.8
207.17566	3.7
211.14713	2.0
213.16368	9.2
215.17967	9.0
217.15880	6.1
217.19495	13.7
219.17516	6.7
227.17943	5.6
229.19534	3.8
231.17448	6.7
231.21059	13.3
233.18991	2.0
235.16951	4.1
241.19556	6.0
243.21094	5.1
245.19034	3.7
249.18442	2.6
253.19472	3.5
255.21130	5.5
257.22781	4.6
263.19971	2.3
267.21045	3.0
269.22281	2.2
271.20660	3.0
271.24094	1.8
273.25577	1.8
277.21692	5.4
303.23077	2.8
381.34818	2.3
391.33621	24.4
409.34695	32.0
427.35730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05521	16.6
57.07080	8.5
67.05508	23.9
69.07070	34.9
69.26733	5.5
69.27126	20.4
71.08655	3.2
73.16608	2.3
79.05502	9.7
81.07065	33.9
83.08611	13.8
83.11385	2.3
85.06559	3.1
91.05489	10.2
93.07047	25.9
93.68470	2.5
95.08611	81.9
97.06537	3.3
97.10172	11.9
98.21610	2.5
104.14789	2.2
105.07030	22.5
107.08603	48.8
109.10163	62.9
111.08107	4.9
111.11755	8.2
113.39821	2.3
119.08600	30.0
121.10155	56.5
123.08107	3.7
123.11712	23.4
131.08585	5.9
133.10129	28.1
135.11716	27.4
137.13278	12.9
145.10172	9.6
147.11722	26.5
149.09668	5.8
149.13251	16.6
151.14908	3.1
153.09151	5.7
159.11760	7.8
161.13283	18.1
163.11241	3.0
163.14851	11.8
165.09181	2.5
167.10732	7.0
173.13309	5.0
175.14824	13.8
177.16438	13.7
179.10646	3.4
181.12312	3.5
185.05473	2.4
187.14938	3.0
189.16431	7.8
191.17973	28.2
193.12318	6.5
201.16486	6.8
203.14372	4.5
203.17943	29.9
203.19475	2.6
205.19547	25.6
209.15486	3.3
217.19521	29.4
219.17537	7.6
221.15445	4.0
223.17032	6.4
229.19510	3.7
231.21214	6.2
235.17085	7.2
245.22702	5.0
249.18521	3.4
256.89676	2.7
257.22681	3.1
263.20074	3.4
285.25839	2.8
331.26398	3.1
357.27673	4.1
367.33691	4.5
391.33945	6.6
409.35077	11.7
427.35825	100.0
428.36328	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03946	1.0
55.05511	6.4
57.07055	2.3
57.12998	0.8
57.39124	1.1
66.73874	1.0
67.05505	7.3
69.03418	2.2
69.07072	9.6
71.53985	1.5
79.05495	5.5
79.14060	1.0
81.07053	15.2
83.04968	1.9
83.08614	3.3
85.06525	3.3
88.69523	1.1
91.05479	7.3
93.07037	16.7
95.04958	1.5
95.08610	24.9
96.08955	2.6
97.06553	2.0
97.10187	5.2
104.99273	1.2
105.07030	13.3
107.08596	22.3
108.08881	0.9
109.06509	3.4
109.09436	1.6
109.10160	15.2
110.10507	1.8
111.08083	6.4
111.11725	1.2
117.06970	1.7
119.08593	19.5
121.10147	13.8
123.08042	5.1
123.11683	6.6
125.09618	1.5
129.13942	1.0
131.08580	4.8
133.10124	12.7
134.10461	1.1
135.08035	1.5
135.11693	14.0
136.12022	1.4
137.09615	2.7
137.13258	3.1
143.08583	2.4
145.09091	1.0
145.10114	7.9
147.11684	10.7
149.09636	2.8
149.13260	7.3
151.11201	2.1
151.14856	1.1
157.10110	3.1
159.11688	6.9
161.13300	10.2
162.13579	1.1
163.11157	3.7
163.14864	5.8
163.28438	0.9
165.09105	5.6
165.12738	3.5
169.10207	1.2
171.11723	2.3
173.13232	3.3
175.14806	9.6
177.12730	3.7
177.16374	2.4
179.14320	13.7
181.15854	1.7
182.41559	0.9
185.13283	2.1
187.14832	5.1
189.14937	1.2
189.16422	8.5
190.97612	1.1
191.14322	12.9
191.17943	5.2
193.15854	5.2
197.13202	1.5
199.14844	1.7
201.16342	5.1
203.18004	6.2
204.18420	1.1
205.15903	11.0
205.18779	1.3
207.17429	9.5
213.16402	1.9
215.17953	2.5
218.19910	1.8
219.17474	24.2
221.19058	2.2
223.15097	1.1
227.17924	1.2
229.19365	1.8
233.18990	2.2
235.17070	1.1
241.19572	1.3
247.20619	1.1
254.57722	1.0
273.22205	2.4
283.24066	2.5
320.52960	1.2
391.33939	1.4
399.28818	1.7
400.88971	1.0
409.34555	7.9
427.35721	100.0
428.35995	2.1
446.10709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	HMDB12167
Peak:m/z	Relative Intensity
51.72804	0.9
52.53645	1.0
53.03948	1.2
53.79178	0.9
55.05510	6.6
57.03479	0.9
57.07075	2.9
67.05506	12.0
67.36150	0.9
69.03433	1.6
69.07069	8.6
71.04990	1.4
79.05503	8.6
81.03426	3.7
81.07057	24.0
83.04999	1.3
83.08625	4.8
85.06559	4.1
91.05484	8.1
93.07041	21.6
95.04935	1.0
95.08611	47.2
96.08941	1.0
97.02886	1.8
97.06528	1.6
97.10160	2.3
99.08103	1.3
103.76340	1.0
105.07040	15.2
105.07690	1.6
107.08601	30.7
109.06498	2.0
109.10163	23.6
111.08080	11.2
111.11777	2.4
113.09662	1.0
117.07018	2.4
119.08588	24.4
121.10153	25.3
123.08103	2.3
123.11715	10.9
125.09605	1.6
127.11217	1.6
129.06982	1.2
131.08592	8.2
133.10132	18.6
135.08046	2.0
135.11697	23.4
135.12711	1.3
137.09619	4.5
137.13248	6.4
139.11148	1.0
143.08577	2.6
145.10120	13.7
145.11150	1.3
147.11699	16.7
149.13268	12.5
151.11203	2.0
157.10141	3.4
158.10973	1.0
159.11710	13.4
161.13235	12.9
161.30869	1.2
163.14825	12.4
165.12755	1.6
171.11719	3.1
173.13252	9.2
175.14804	6.7
177.16380	7.3
179.14388	1.5
185.13263	3.1
187.14822	16.6
189.16405	20.6
191.14331	1.8
191.17937	14.4
191.19295	1.1
193.15900	1.2
199.14859	3.8
201.16406	12.9
203.14319	1.3
203.17949	9.0
205.15880	17.8
205.19469	2.1
207.17451	20.2
211.14822	1.2
213.16460	2.6
215.17914	4.8
217.15926	1.5
217.19505	4.5
219.17467	5.7
221.19087	1.2
227.18004	1.6
229.19550	4.8
231.21146	2.0
235.20517	1.3
241.19588	2.6
243.21176	2.9
247.20589	1.3
255.21162	3.2
257.19189	1.1
257.22614	2.2
269.22717	1.9
271.20343	1.2
273.22275	1.4
285.82614	1.2
391.33780	5.7
409.34830	27.4
427.19861	3.3
427.35834	100.0
428.36237	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	427.3573
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03948	1.3
54.36668	1.4
55.01880	1.5
55.05511	6.6
57.07078	3.2
58.03399	1.1
67.05508	8.9
69.03402	1.3
69.07060	9.1
69.37358	9.7
71.05020	1.7
79.05514	7.6
81.07059	20.3
83.08620	6.5
85.06557	1.9
91.05482	7.2
93.07044	18.0
95.04994	1.2
95.08611	30.9
96.08952	1.7
97.06563	1.7
97.10145	3.2
97.45812	1.3
98.21552	2.7
104.99269	1.3
105.07028	17.0
107.08595	32.3
109.06532	3.0
109.10157	14.8
110.10504	1.5
111.08042	1.6
117.07040	2.3
119.08578	23.8
120.08851	1.2
121.06514	2.3
121.10132	23.0
121.10913	1.9
122.93175	1.2
123.08088	5.1
123.11704	6.7
131.08583	9.7
133.10138	18.4
135.08080	2.9
135.11690	21.2
137.09630	2.2
137.13295	1.3
143.08551	3.6
144.09444	1.4
145.10153	12.9
147.11703	20.4
149.13257	13.4
151.11137	1.5
153.12759	1.5
157.10162	4.9
157.97388	1.3
159.11731	8.9
161.09659	1.4
161.13271	9.5
163.11217	2.5
163.14835	18.1
165.12769	1.3
171.11711	2.5
173.13293	7.5
175.14836	7.0
177.12703	1.4
177.16432	10.8
179.14214	1.4
184.99174	1.2
185.13329	3.7
187.14835	18.5
189.16400	26.7
191.17940	5.4
193.15872	2.2
197.13365	1.8
199.14877	4.1
201.16428	11.5
203.10123	1.3
203.14378	2.8
203.17915	7.0
205.15887	40.7
207.17455	33.4
208.17761	1.8
213.16356	3.7
215.17931	8.1
217.19547	1.9
219.17418	8.6
225.16388	1.3
225.26286	1.2
227.18025	2.2
229.19589	4.5
231.10748	1.5
231.21111	1.6
241.19597	2.5
253.19603	1.4
255.21140	5.5
257.22516	1.5
269.22711	3.7
288.11053	1.5
331.26376	4.9
353.16202	1.4
357.28003	4.8
391.33655	4.3
409.34689	23.8
427.35806	100.0
428.35950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
50.07109	2.7
55.05505	10.5
57.07072	5.9
67.05499	22.4
69.07071	17.3
71.53653	2.9
75.79858	2.6
79.05515	9.9
81.03456	3.5
81.07057	35.6
83.04992	3.3
83.08642	12.3
83.17749	2.6
85.02906	4.1
91.05498	14.0
93.07048	27.7
95.04987	2.9
95.08608	55.1
95.09169	4.4
97.02888	4.3
97.06546	3.6
97.10184	6.6
103.80392	2.7
105.07025	25.6
107.05022	2.5
107.08588	38.3
109.06540	4.0
109.10152	37.7
117.07121	4.4
117.63509	3.2
119.08586	31.2
121.06481	3.0
121.10154	32.7
123.08041	5.6
123.11705	19.7
129.06981	2.5
131.08620	8.0
133.10115	23.5
135.08116	3.6
135.11700	28.3
137.06053	4.0
137.09671	7.4
137.13301	8.2
143.08612	5.6
145.10114	13.3
147.08112	4.8
147.11694	17.1
149.13254	19.8
156.09427	3.6
157.10109	5.3
159.11679	15.5
161.13232	15.3
163.14844	20.3
165.09109	4.1
165.12831	3.9
171.11752	6.2
173.13263	14.3
175.11136	3.2
175.14737	16.2
177.12819	4.4
177.16481	7.2
179.14392	4.5
185.13339	5.7
187.14819	20.3
189.12753	4.0
189.16354	22.1
191.14406	3.5
191.18056	12.4
197.26022	3.1
199.14899	7.4
201.16367	12.7
203.14377	16.8
203.18015	8.7
205.15996	7.4
207.17506	7.4
213.16476	8.2
215.18007	8.3
217.15860	3.3
217.19577	3.6
218.16083	2.9
219.17607	3.8
225.16447	3.2
227.18033	4.0
229.19606	11.8
235.13379	3.3
241.19490	3.6
243.21141	4.0
245.22719	3.8
253.19537	4.7
255.21167	8.3
257.22778	6.5
259.24158	4.0
267.21188	4.2
269.22821	6.2
285.22232	5.9
316.12079	2.8
318.49319	2.7
322.11719	4.7
367.30377	5.6
381.35449	7.5
391.33539	12.7
399.36475	3.4
409.30301	4.4
409.34808	43.8
427.35724	100.0
432.13049	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	427.3574
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
51.90862	0.9
53.03944	1.4
54.34931	0.8
55.01866	1.2
55.05509	4.3
57.07072	1.6
57.25884	1.0
67.05505	4.9
69.03428	1.3
69.07073	6.4
69.54990	4.8
71.04975	1.1
71.73524	0.9
79.05486	4.9
81.07053	14.6
83.08620	2.7
85.06552	1.4
85.10149	1.0
90.82250	0.9
91.05498	4.6
92.38906	0.9
93.07050	11.6
95.08612	20.5
96.08957	0.9
97.06559	2.2
97.10175	3.7
99.04453	2.6
99.08055	0.9
105.07040	8.7
107.08598	14.9
109.06556	2.5
109.10158	11.9
111.08080	10.1
117.07056	1.4
119.08578	13.7
121.10155	10.8
123.08104	1.8
123.11705	5.6
125.09631	1.7
131.08572	2.9
133.10117	8.0
135.08069	1.5
135.11674	10.4
135.32797	1.3
137.09660	2.7
137.13303	1.8
145.10098	5.8
147.11707	8.0
149.09651	1.6
149.13269	4.9
151.11276	1.7
157.10066	1.1
159.11716	7.0
161.13246	7.2
163.11147	1.2
163.14853	3.3
165.09200	1.4
165.12767	1.2
171.11696	1.9
173.13208	4.8
175.14880	7.6
177.12798	3.4
177.16403	2.3
179.14340	3.6
185.13310	2.4
187.14790	5.0
189.16415	7.6
191.14331	3.4
191.17957	3.6
193.16010	1.2
195.32886	0.9
199.14903	3.2
201.16483	3.8
203.14354	1.8
203.17972	2.4
205.15897	13.6
207.17461	8.1
213.16454	2.3
215.17993	2.8
217.16171	1.1
217.19530	1.0
219.17508	4.3
227.18031	2.1
229.19614	2.1
231.17531	2.1
241.19525	1.5
255.20976	1.5
273.22125	1.5
275.23819	1.0
283.24225	7.3
301.25342	3.4
357.27902	1.1
391.33987	2.2
409.34772	8.3
427.35843	100.0
428.36261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
52.85187	0.8
55.05512	4.5
57.07084	3.8
59.01896	0.7
61.10970	0.8
67.05508	7.2
69.03436	1.3
69.07072	10.3
70.93405	1.8
71.08583	0.8
79.05497	3.9
81.07058	21.5
81.60224	0.8
83.04974	4.1
83.08617	5.7
88.19144	0.9
91.05468	3.7
93.07040	10.2
95.08608	24.4
97.06526	1.6
97.10145	3.1
105.07024	12.9
107.08595	21.7
109.06519	2.1
109.10159	16.5
111.08079	2.0
111.11719	1.1
119.08588	12.4
121.06522	1.1
121.10153	19.4
123.08070	2.8
123.11710	8.9
125.09624	1.4
131.08569	3.4
133.10138	8.4
135.08005	2.8
135.11694	14.5
137.09613	1.8
137.13235	4.5
139.11151	1.1
143.08551	1.4
145.10149	4.9
147.11696	7.3
149.09631	11.6
149.12418	0.7
149.13289	8.8
151.14819	1.2
153.09090	1.2
157.10104	2.0
159.11710	5.5
161.09564	1.2
161.13315	6.7
163.11226	1.1
163.14824	6.5
165.09116	6.4
165.19849	0.8
171.11641	1.8
173.13293	4.2
175.11253	0.9
175.14864	8.1
177.16386	11.8
179.14345	1.1
185.13263	1.2
187.14806	3.3
189.16350	7.5
191.17950	5.9
199.14787	1.7
201.16403	6.2
203.17975	4.8
205.12225	1.5
205.15880	1.4
205.19571	1.4
213.16359	1.9
215.17963	3.4
217.15926	1.8
217.19530	2.5
219.17471	8.7
229.19464	2.4
231.17471	1.3
231.20984	1.2
233.18971	1.8
241.19521	2.3
243.21118	1.1
245.22708	1.3
247.20729	1.6
255.21063	1.9
257.22565	1.1
269.22726	0.8
273.22119	8.5
353.31763	1.0
391.33597	0.9
409.33997	2.3
409.38937	6.8
417.16360	0.8
427.35645	100.0
428.36053	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	427.3935
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03950	1.3
53.85085	1.3
55.05514	7.6
57.07071	3.2
58.24553	1.2
65.03926	1.4
67.05508	24.0
69.07069	19.8
70.57220	4.2
72.77351	1.1
75.59737	1.4
79.05492	7.0
81.07059	37.5
83.08605	5.3
91.05500	3.0
93.07062	14.6
95.08612	84.9
97.10177	6.6
105.07030	5.6
107.08600	30.1
109.10162	100.0
111.08045	1.5
111.11729	6.4
119.08575	10.1
121.10145	25.4
123.08137	1.6
123.11715	28.6
125.13276	1.4
133.10123	10.7
135.11705	20.1
137.13286	13.4
147.11714	7.7
149.12183	1.8
149.13277	19.9
151.14894	2.0
161.13254	10.5
163.14841	17.8
165.16420	1.5
175.14853	2.9
177.16350	7.3
179.14323	7.5
189.16408	6.6
191.17969	23.8
203.17969	7.7
205.19525	26.5
207.17543	2.1
217.19556	7.9
219.21072	15.4
229.19550	1.6
231.21082	3.1
245.22667	2.4
255.70609	1.7
261.25592	1.5
313.28601	1.7
409.38358	13.1
427.39395	31.6
447.99545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	Camelliol C
Peak:m/z	Relative Intensity
55.05513	22.8
57.07080	7.6
59.05001	1.6
65.01393	1.4
65.03963	1.7
66.26928	1.3
67.05181	2.4
67.05510	33.8
68.11850	1.4
69.06727	2.6
69.07075	38.0
69.41635	9.4
71.05004	14.0
72.20316	1.7
79.05507	17.5
81.07064	95.5
83.08627	20.0
88.89411	1.5
91.05473	11.3
93.07052	44.0
95.08612	94.4
97.10191	8.7
99.08113	3.6
104.91886	1.4
105.07047	19.3
107.08601	54.7
109.10164	100.0
111.08098	2.1
111.11729	5.0
119.08591	22.3
121.10147	37.2
123.11725	41.2
125.13252	3.6
127.11208	18.7
131.08589	4.2
133.10143	16.8
135.11710	41.6
137.13271	20.8
141.12729	3.1
145.10129	4.2
147.11711	16.7
149.09723	2.2
149.13268	44.9
151.14824	8.0
153.12735	9.5
156.90695	1.6
159.11662	6.0
161.13277	15.8
163.14827	27.2
167.14308	2.0
173.13251	3.3
175.14815	10.2
177.16405	23.4
179.17929	1.7
187.14827	2.7
189.16338	9.8
191.17958	15.3
193.15842	1.9
193.19481	1.4
195.17575	1.7
201.16411	3.7
203.17941	13.1
205.19510	5.9
207.17561	2.3
211.20554	4.2
217.19565	17.2
219.21193	3.5
221.19035	2.0
227.18188	1.6
228.35655	1.7
229.19487	2.9
231.21053	14.9
233.22684	4.2
245.22598	3.7
259.24249	7.3
271.24130	1.8
273.25748	2.2
285.25656	3.3
287.24283	1.6
287.27359	4.0
299.27423	2.3
303.26859	3.9
331.30099	2.5
341.32071	6.5
345.31604	4.5
409.38504	9.7
427.34973	12.2
427.40198	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	427.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	16.0
57.07083	6.2
67.05499	31.7
69.07075	33.0
69.38620	31.1
79.05492	10.4
81.07059	54.2
83.08597	18.1
91.05482	9.2
93.07040	24.9
95.08607	100.0
97.10169	5.5
101.42558	5.0
105.07015	17.3
107.08616	48.2
109.10158	77.0
111.11684	5.6
119.08562	21.9
121.10139	48.9
123.11712	41.3
133.10110	14.9
135.11696	21.3
137.09618	6.9
137.13229	31.4
145.10081	7.5
147.11670	15.2
149.13226	22.6
151.14790	5.8
153.09229	6.2
159.11705	6.6
161.13246	18.6
163.14784	18.8
165.09102	80.6
173.13263	7.2
175.14755	10.4
177.16391	14.5
179.14307	6.7
181.12256	7.3
189.16380	25.8
191.17883	14.9
191.49266	4.8
203.17926	21.9
205.12216	7.2
205.16406	5.7
205.19482	16.8
215.17976	6.3
217.19569	23.2
219.21143	10.3
231.21082	5.4
245.22717	7.5
409.38309	19.1
412.17081	7.3
412.51855	7.4
419.45740	5.4
427.14709	46.7
427.19922	12.2
427.35367	66.3
428.15958	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	428.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01872	7.4
55.05499	1.2
57.03439	13.1
59.04996	1.0
61.02928	9.1
69.03084	1.8
69.03436	27.8
71.01345	3.0
71.04987	2.9
73.02921	26.4
79.05434	0.9
81.03426	8.1
81.07071	1.5
83.01358	0.9
85.02910	100.0
85.45990	0.8
87.00822	3.4
87.04469	2.7
91.03957	3.9
95.04965	1.4
95.20905	1.0
97.02895	37.6
98.20771	4.0
98.97580	1.0
99.04442	5.8
100.59671	1.2
103.03943	2.9
105.01873	1.9
107.08556	1.4
109.02873	11.8
109.97733	1.0
115.03935	15.5
127.03932	33.0
131.08533	0.9
131.77444	0.9
132.06548	1.8
133.04970	19.3
145.04971	54.9
145.10194	1.3
150.07607	1.9
151.03951	1.2
159.02942	4.4
163.06026	21.0
179.97937	1.9
181.04857	1.1
223.06030	2.3
231.05214	1.0
241.07051	2.8
259.08224	1.4
266.18298	1.0
279.17950	2.2
279.27249	1.0
303.08844	1.3
410.16461	1.1
428.17624	1.7
428.23477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.4
59.08789	0.3
69.03410	1.0
69.07053	0.7
69.93806	0.9
69.94200	0.6
73.02902	0.5
81.58009	0.4
85.02905	1.3
87.08107	0.9
91.05819	0.4
92.64383	0.3
97.02890	0.7
98.97577	0.9
105.09124	0.4
109.02905	0.5
112.99180	0.4
116.98626	0.5
127.03942	0.8
131.04903	0.4
137.05927	0.4
145.04955	0.5
147.96423	0.3
148.10510	0.3
153.01834	0.3
170.60333	0.3
208.09645	0.3
237.02902	0.5
262.09918	0.3
267.08487	0.4
303.01257	0.5
359.02689	0.6
381.11450	0.6
429.13736	100.0
429.20700	8.3
430.13867	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2099
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
56.96560	0.4
69.03430	0.5
69.62522	1.5
74.06061	0.4
81.67665	0.3
85.02886	0.7
91.05819	0.4
93.07074	0.3
98.21484	0.5
98.97554	0.5
107.04918	0.2
109.10132	0.4
119.59691	0.2
127.03886	0.4
128.98639	0.3
137.40221	0.3
138.02934	0.5
147.38731	0.3
153.01884	0.4
162.02954	0.4
167.03206	0.6
167.05632	0.3
203.05319	1.2
212.85986	0.3
219.58353	0.3
229.05513	0.3
237.02734	0.4
287.14688	0.3
307.08005	0.7
334.18704	0.3
359.02460	0.3
371.16794	1.1
411.20020	1.8
429.08768	5.9
429.20993	100.0
430.16782	1.1
430.21548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2101
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
57.60544	0.3
69.03417	0.6
70.06604	3.6
70.67587	0.3
71.06936	0.6
72.70649	0.3
79.05515	0.4
81.07081	0.3
85.02912	0.9
95.04971	0.4
97.02888	0.8
98.97595	0.6
105.07040	0.9
107.08639	0.3
109.02894	0.5
112.07626	2.7
113.07935	0.9
121.02840	0.3
121.06541	0.3
123.04447	0.3
127.03932	0.8
136.07559	0.4
137.06012	0.5
140.07089	1.5
141.07440	0.4
145.10207	0.3
147.04474	0.4
153.01936	0.3
163.11157	0.3
179.07181	0.3
203.05315	0.8
219.01897	0.3
223.13106	0.5
249.14697	0.6
267.15802	1.4
285.11682	0.4
287.10916	0.3
328.14966	0.5
385.18372	27.4
411.20047	1.2
429.21030	100.0
430.21231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79096	0.5
55.01879	0.6
56.96569	1.9
62.28330	0.5
63.31910	0.5
65.63206	0.5
69.03433	1.1
70.47964	1.0
70.48367	1.1
71.04964	0.6
73.04758	0.7
81.03419	0.6
82.22843	0.4
83.35275	0.4
84.96034	0.8
85.02919	1.6
89.06066	1.0
91.38587	0.4
97.02902	1.2
98.21440	0.5
98.97598	4.9
103.05473	0.5
110.97579	1.7
114.08511	0.5
116.98621	1.1
119.05016	0.7
127.03970	0.6
128.98650	1.8
131.04903	0.8
143.00165	0.5
145.05016	0.7
146.99702	0.7
153.01875	0.7
153.14368	0.5
158.99715	1.5
161.01199	0.7
170.99733	1.0
177.00760	0.7
188.01227	0.5
201.01935	0.6
219.01761	2.4
225.00708	0.6
237.02779	2.5
243.01849	1.3
247.02501	1.1
248.02721	0.5
257.00916	0.5
258.01227	0.8
261.02856	0.7
275.01874	1.2
277.03345	1.3
278.54013	0.5
285.00311	0.7
303.01349	7.5
304.01654	2.6
321.02744	0.6
332.99127	0.5
335.41815	0.5
355.16965	0.8
359.02777	0.9
369.05099	2.1
376.98151	1.5
379.01862	0.5
387.05957	2.3
394.99319	1.7
395.99362	1.1
403.01434	0.5
406.10959	0.5
418.99219	0.9
429.21005	100.0
430.13358	0.7
430.21259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2106
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	0.7
55.05514	0.9
57.03450	1.1
60.07085	0.6
67.05492	1.7
69.03419	2.5
69.03938	0.5
69.07063	1.5
70.06593	1.6
71.38924	1.3
79.05494	1.9
81.03419	5.5
81.07073	1.5
83.04984	2.2
83.08607	1.0
85.02894	2.9
91.05489	1.8
93.07033	1.5
95.04985	1.0
95.08611	1.2
97.02850	3.2
99.92830	0.5
105.07014	1.5
107.08588	1.0
109.02878	0.8
109.06523	0.5
109.10174	0.8
111.04443	1.0
111.08085	0.7
115.05453	0.6
119.04965	0.7
119.08575	1.3
121.10173	1.1
127.03908	2.8
129.07065	0.8
131.08592	1.2
133.10144	1.2
137.05930	1.1
139.03908	6.0
140.58612	0.6
145.10138	0.8
147.04398	2.9
147.11734	1.1
148.04742	0.9
149.09593	0.8
157.10144	0.9
159.11656	0.8
163.11169	1.1
165.12807	0.5
175.11302	0.6
193.12312	2.4
203.05342	0.7
211.13231	4.0
233.04358	0.7
249.14677	4.0
258.45673	0.5
261.03979	1.7
267.15829	2.5
285.17108	1.0
287.11124	0.8
315.04962	0.8
371.16785	14.4
386.52722	0.7
400.20834	0.6
411.19894	4.8
418.72632	0.7
429.20996	100.0
430.21274	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	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.7
55.01868	2.6
55.05516	12.0
57.03442	16.3
57.11044	1.2
59.05007	1.6
61.02927	1.5
64.86124	1.2
67.05508	14.4
67.61008	0.9
69.03434	31.1
69.07063	4.9
70.18488	2.3
70.18868	2.2
71.05006	7.4
73.02911	3.5
79.05497	12.3
81.03423	77.0
81.07059	16.0
83.01317	1.4
83.04993	21.1
83.08626	18.1
85.02908	21.4
87.04485	1.5
91.05493	16.4
91.06028	1.9
93.07038	9.9
95.04980	18.6
95.08611	11.9
96.08913	1.2
97.02897	46.2
97.06545	2.9
97.10169	3.1
99.04465	7.2
99.08161	1.6
105.07034	15.0
107.04939	4.2
107.08601	9.4
109.02884	13.3
109.06552	3.0
109.10178	7.0
111.04460	7.8
111.08077	6.8
117.07049	2.1
119.08591	13.3
121.06474	1.3
121.10143	9.6
123.08044	2.0
123.11749	2.3
125.09674	2.4
127.03921	13.1
129.05490	5.6
129.07014	6.2
131.08580	8.2
133.06471	2.6
133.10147	9.7
135.11713	4.7
137.09592	1.3
137.13307	2.8
145.10144	3.4
147.08105	1.4
147.11697	12.7
149.09636	4.1
149.13254	1.9
153.12790	1.7
157.10185	7.0
159.11716	2.3
163.11186	2.7
163.14844	1.4
165.12787	4.1
173.13361	1.5
175.11191	10.7
175.14854	1.4
177.16548	1.1
181.12268	1.8
183.06525	1.1
189.16277	1.6
191.10655	4.0
193.12254	51.5
193.15897	3.5
205.15793	1.1
207.17381	1.6
211.13306	100.0
212.13678	1.1
219.27171	1.0
227.12761	5.2
229.14374	5.0
242.83249	1.1
249.14893	5.8
265.14377	1.6
267.15930	2.7
283.15195	1.2
285.17001	8.3
337.16330	2.0
355.17511	6.6
411.20050	2.9
429.21255	90.0
429.31747	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01845	5.7
55.05512	17.3
57.03428	10.8
60.66541	2.9
61.02947	3.9
66.21664	3.0
66.38438	3.4
67.05501	15.8
69.03429	28.8
69.07069	9.1
69.23714	13.5
69.24138	17.0
71.04993	7.0
79.05500	14.0
81.03416	84.6
81.07055	24.5
83.04967	21.0
83.08625	23.0
85.02909	22.9
91.05465	17.5
93.07053	23.0
95.04965	19.9
95.08599	24.1
97.02896	51.2
97.06555	3.8
97.10168	7.5
99.04452	8.7
105.07046	22.0
107.04964	4.8
107.07977	3.0
107.08601	22.6
108.72182	3.3
109.02894	8.3
109.06509	4.6
109.10156	12.6
111.04452	10.5
111.08082	12.6
117.07001	3.4
119.08601	21.5
121.06483	5.0
121.10164	17.0
123.08021	3.2
123.11732	6.1
127.03914	12.9
129.05461	7.0
129.07007	6.3
130.86528	2.7
131.08562	15.5
133.09215	2.8
133.10101	17.5
135.11752	14.4
139.84898	3.0
143.08614	3.3
145.10144	6.7
147.08095	2.9
147.11673	18.9
149.09698	6.2
149.13260	6.3
157.10132	14.1
159.11629	3.9
161.13202	3.8
163.14761	4.5
165.12794	7.0
169.09978	3.0
171.11716	4.6
173.13191	3.1
175.11163	14.1
175.14844	5.7
177.16484	3.6
193.12224	53.4
211.13298	100.0
217.15822	5.3
227.12627	3.4
229.14410	3.4
249.14963	6.9
285.17023	10.1
298.61206	3.4
355.17487	7.1
393.31424	8.4
411.32825	18.3
428.43970	3.2
429.21204	94.2
429.33835	57.2
430.21738	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14643	1.6
53.03950	10.5
54.86296	1.7
55.01876	4.7
55.05513	14.5
57.03445	17.0
60.92809	1.7
67.05505	12.6
68.37241	1.5
69.03439	32.9
69.07062	7.5
70.58862	2.0
70.59203	3.7
71.04996	9.4
79.05494	16.2
81.03422	82.7
81.07053	20.8
83.01356	2.2
83.04987	21.0
83.08630	16.2
85.02906	26.0
87.04498	2.2
89.52799	1.9
91.05487	14.2
93.07051	12.8
95.04976	17.6
95.08633	18.4
97.02895	47.6
97.06504	3.8
97.10178	4.8
99.04441	8.4
105.07033	14.6
107.04910	2.8
107.08588	12.8
109.02879	13.1
109.06562	1.9
109.10182	10.0
111.04447	7.7
111.08074	9.9
119.08602	13.3
121.10152	13.2
123.08105	3.3
123.11685	3.3
125.09646	1.9
127.03925	11.7
129.05479	5.6
129.06981	7.9
131.08580	7.0
133.06494	1.8
133.10159	9.7
135.11688	7.3
137.09560	1.8
137.13306	2.4
145.10149	2.8
147.08101	2.0
147.11711	15.5
149.09650	5.8
149.13318	2.9
153.12817	2.3
157.10130	8.8
161.13356	3.2
165.12743	3.2
171.11836	2.0
175.11227	13.0
175.14816	1.9
181.12270	2.5
183.06648	2.1
191.10689	2.3
193.12254	49.6
201.25653	1.9
203.18129	1.7
211.13316	100.0
227.12837	4.8
229.14392	3.9
249.14900	4.8
285.17114	9.5
286.27365	2.1
311.08591	1.9
337.16504	3.2
355.17584	7.7
376.54056	2.4
411.20328	4.2
429.21262	82.4
429.32059	15.6
429.37378	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
54.17536	2.3
55.05503	13.4
57.03440	13.5
60.15642	2.4
65.03938	2.3
67.05499	16.8
69.03090	3.2
69.03431	35.9
69.07066	9.0
71.01324	3.1
71.04993	9.1
71.53983	4.0
77.55660	2.5
79.05501	12.9
79.94025	2.3
81.02933	4.3
81.03415	88.5
81.07066	25.6
83.04992	23.5
83.08620	19.8
85.02915	21.2
89.94932	2.5
91.05458	13.4
93.07027	16.2
95.04971	19.7
95.08586	15.2
97.02886	50.5
97.06547	5.4
97.10149	5.1
99.04453	8.4
100.90221	2.7
101.15481	3.0
105.07025	16.9
107.04961	4.4
107.08582	15.6
109.02872	15.4
109.06505	3.9
109.10154	7.9
111.04440	9.4
111.08073	9.1
119.08588	18.6
121.10149	11.0
123.11706	7.2
125.09682	3.9
127.03923	11.6
129.05450	6.1
129.07004	6.6
131.08527	7.4
133.10132	13.0
135.11749	3.6
137.09576	3.7
137.13228	2.7
145.10106	5.0
147.11693	12.3
149.02390	3.3
149.09665	4.2
149.13350	3.2
157.10121	8.4
159.11690	4.5
163.11182	6.6
165.12714	4.8
171.11792	3.0
175.11157	15.3
191.10728	6.2
193.12254	58.6
193.13889	5.0
211.13277	100.0
227.12752	6.0
229.14262	3.5
249.14838	6.1
285.16901	7.6
355.17572	7.3
411.20309	3.0
429.12357	3.2
429.21188	84.9
429.29471	4.7
429.33780	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
53.50636	3.3
55.01880	4.7
55.05507	19.8
57.03436	20.8
57.07061	4.1
67.05491	17.1
69.03432	39.0
69.07066	7.5
69.94068	12.9
71.04990	9.6
72.24998	3.0
75.83409	3.4
78.87339	3.1
79.05479	14.2
79.05902	3.7
81.03419	81.6
81.07052	26.2
83.04986	25.7
83.08612	16.4
84.02187	3.8
85.02893	24.3
85.06499	3.4
91.05466	24.5
93.07041	17.9
95.04979	25.4
95.08600	34.6
95.88072	3.2
97.02894	55.0
97.06532	5.5
97.10165	3.9
99.04453	13.8
105.07038	22.3
107.08582	29.9
109.02879	16.5
109.06506	4.6
109.10153	18.5
111.04452	7.6
111.08089	8.2
119.08567	24.7
121.10130	20.4
123.11673	6.9
125.09705	3.5
127.03915	13.2
129.05473	5.5
129.07024	7.1
131.08565	11.5
133.10156	16.8
135.11700	12.5
145.10124	6.1
147.11687	14.6
149.13280	8.9
151.11139	4.9
157.10115	16.3
159.11739	5.7
161.13260	6.5
163.11264	4.7
165.12810	6.4
173.13132	4.2
175.11134	12.1
175.14833	9.9
177.16354	3.6
189.16422	5.5
191.17964	6.3
193.12256	48.3
203.32520	3.6
211.13283	100.0
227.12708	7.1
229.14302	3.7
249.15013	6.9
256.26514	4.2
285.16998	9.1
393.31332	3.9
411.32309	7.3
429.21213	85.0
429.32623	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
57.07078	19.3
64.28217	0.7
67.05508	6.3
69.07066	5.7
69.98507	0.7
71.06489	1.0
71.06851	1.7
71.08637	12.0
79.05480	1.5
81.07060	10.7
83.04993	1.8
83.08623	2.3
85.10188	5.9
91.05484	2.8
93.07054	4.4
95.08618	9.5
97.10165	2.4
103.50198	0.8
105.07023	3.5
107.02277	0.8
107.08614	8.2
109.10157	9.5
111.04490	1.5
111.11721	1.7
119.08594	5.4
121.06480	1.0
121.10149	7.9
123.08042	1.8
123.11708	2.5
131.08566	1.9
133.10124	2.8
135.08086	5.9
135.11700	4.2
137.05971	1.1
137.09613	11.8
137.13257	1.0
139.07553	2.3
139.11169	1.9
145.10162	4.1
146.10422	0.8
147.11708	1.6
149.09637	15.5
149.13281	1.2
151.07611	1.9
159.08049	1.0
159.11691	3.2
160.08900	1.4
161.09644	1.2
161.13261	1.2
163.11186	20.2
163.14787	0.9
165.09119	100.0
173.09648	2.4
173.13258	3.4
175.11211	5.8
176.08365	1.7
177.09131	12.3
177.12723	2.2
179.10648	2.3
186.10423	1.4
187.11192	2.2
187.14838	1.7
190.09967	1.0
191.10670	9.1
191.17932	1.1
193.15961	1.1
201.12770	3.3
203.10641	1.2
203.14409	1.5
203.18002	1.2
205.12242	10.9
215.14355	1.9
219.13797	5.2
233.15309	2.4
234.03839	1.0
247.16916	1.5
261.18433	1.0
265.75043	0.8
275.20096	1.0
285.25839	0.9
289.21698	1.3
303.23224	1.7
317.24570	0.9
345.27734	0.9
359.29443	1.5
373.31116	0.9
377.23700	1.0
401.34073	2.0
411.36371	3.6
412.36615	0.9
429.16608	6.0
429.32306	3.5
429.37234	68.5
430.17676	2.3
430.37738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05518	2.3
57.07081	15.8
59.65340	0.5
67.05516	3.9
68.04384	0.5
69.07066	4.7
71.08636	11.2
71.14468	0.7
71.14798	0.7
79.05501	1.5
79.79219	0.5
81.07063	7.8
83.04982	0.9
83.08620	2.5
85.10189	5.7
91.05475	2.0
93.07038	2.4
95.08610	6.5
97.10176	2.1
98.00688	0.6
99.11716	0.6
101.09453	0.6
105.07051	1.5
107.08610	5.8
109.06519	0.5
109.10160	6.0
111.04456	0.8
111.11700	0.6
113.98782	0.5
115.05440	0.5
117.07037	0.9
119.08608	3.3
121.06502	2.0
121.10163	3.4
122.07268	0.7
123.08059	0.8
123.11700	1.1
125.05990	0.6
131.08557	2.4
133.10135	1.6
135.08060	5.1
135.11699	2.8
136.08841	1.0
137.06038	0.7
137.09628	8.9
139.07553	2.2
139.14851	0.8
142.62508	0.5
145.10158	1.7
147.11702	0.7
149.09622	13.1
149.13211	0.7
151.07544	1.4
158.10927	0.8
159.08086	0.9
159.11690	2.7
160.08867	0.8
161.09666	1.1
162.06787	1.1
163.11189	19.2
164.08296	2.3
165.09123	100.0
166.09486	0.9
172.08804	0.6
173.09656	2.1
173.13261	2.6
175.11208	5.1
176.08374	1.7
177.09135	10.8
177.12766	2.0
179.10663	1.2
186.10423	0.9
187.11194	3.2
189.09103	1.4
189.12749	1.6
190.09892	1.5
191.10677	9.3
191.14409	0.8
201.12759	2.9
203.10715	2.2
203.14339	0.8
204.11453	1.1
205.12256	10.8
205.15874	0.7
215.14403	0.8
219.13782	4.3
229.15962	0.8
233.15288	3.0
247.16895	1.4
261.18512	1.2
275.20078	1.3
289.21722	2.0
303.23099	1.9
317.24777	1.0
331.26355	1.1
345.27811	0.6
359.29556	0.7
373.31076	1.5
385.34961	0.7
401.34128	2.8
411.36145	2.2
429.31967	3.7
429.37277	50.3
430.37939	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.33112	0.5
55.05511	2.8
57.07078	15.3
64.99729	0.5
67.05494	4.0
68.99935	0.6
69.07062	4.7
71.03590	0.6
71.08292	1.0
71.08638	12.0
71.50824	0.8
74.50979	0.7
79.05479	1.8
80.64020	0.5
81.07056	7.7
83.04964	0.7
83.08642	2.8
85.09812	0.5
85.10189	6.4
86.28201	0.6
86.71150	0.6
90.58338	0.5
91.05470	2.3
93.07043	1.6
95.08611	6.2
97.10167	2.3
105.07014	1.6
105.38634	0.6
105.69764	0.5
107.08601	4.5
109.06555	0.6
109.10157	7.2
111.11704	1.1
117.07019	0.7
119.08572	2.5
121.06510	0.8
121.10162	2.4
122.07248	1.0
123.08046	0.9
123.11696	1.4
125.13297	0.9
131.08585	1.8
133.10121	1.5
135.08060	5.0
135.11691	2.1
137.09615	9.3
139.07550	2.6
145.10144	2.3
149.09625	14.5
149.13182	0.7
151.07556	1.6
151.11198	0.7
153.83902	0.7
159.08038	0.7
159.11734	3.2
160.08789	1.0
162.06728	1.2
163.07565	1.0
163.11189	21.3
165.09117	100.0
166.09483	1.2
172.08868	0.7
173.09605	1.4
173.13301	1.5
175.07669	0.7
175.11182	5.4
175.66135	0.5
176.08414	1.2
177.09116	12.4
177.12782	1.6
179.10669	1.7
186.10352	1.9
187.11235	3.1
187.14754	0.7
189.12811	2.1
190.09869	1.6
191.10669	11.6
192.90051	0.5
200.11810	0.7
201.12752	3.7
203.10692	1.8
203.14331	1.4
205.12244	11.5
215.14307	1.8
219.13799	5.0
233.15472	2.9
247.16986	1.3
261.18552	2.1
275.20081	1.9
289.21634	1.4
303.23154	2.2
317.24698	1.2
331.26462	1.1
359.29611	0.7
373.30792	1.2
401.34171	3.0
411.36331	3.0
429.32248	3.5
429.37280	69.2
430.37610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	1.6
57.07080	5.7
61.24659	0.4
67.05496	2.3
69.03415	0.5
69.07059	2.4
71.06460	0.9
71.08640	3.0
79.05487	0.8
80.20882	0.4
81.07053	5.3
83.08601	1.4
85.10164	1.1
91.05465	1.1
93.07041	0.9
95.08617	2.9
97.10153	1.4
103.98879	0.5
105.07024	1.0
107.08581	0.9
109.10160	4.2
111.11730	1.3
119.08598	2.6
121.06490	0.5
121.10143	1.1
122.07291	0.8
123.08051	0.8
123.11745	0.8
125.06015	2.2
131.08539	0.7
133.10072	0.7
135.08040	1.4
135.11719	0.5
135.94475	0.4
137.09610	9.0
145.10127	1.4
149.09639	6.5
151.07539	1.8
159.11713	1.9
161.09596	0.7
163.11142	2.5
165.09114	100.0
166.09453	0.7
167.11615	0.5
172.08850	0.9
173.09653	1.3
175.07562	0.7
176.08255	1.1
177.09111	4.7
177.12773	1.6
179.10678	1.8
187.11179	1.8
189.09000	0.6
190.09926	3.0
191.10680	4.3
197.88338	0.5
201.12766	0.6
203.10732	0.7
205.12245	23.4
214.42978	0.4
215.14270	0.5
219.13809	0.9
233.15155	0.5
429.31775	3.9
429.37311	14.0
430.37729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05506	3.6
57.07079	17.7
67.05507	4.5
69.07076	4.2
69.48714	1.1
69.49120	2.8
71.08634	12.8
79.05499	1.5
81.07060	7.9
83.04964	0.6
83.08611	3.0
85.10181	5.8
85.21462	0.5
86.77763	0.5
91.05468	2.2
93.07057	2.3
95.08607	6.6
95.53239	0.5
97.10168	2.2
105.07009	1.9
107.08596	5.4
109.06489	0.7
109.10165	6.0
111.04417	0.7
111.11692	1.4
117.07013	0.7
119.08585	3.4
121.06483	1.0
121.10142	4.6
122.07330	0.8
123.08038	1.0
123.11700	2.1
125.13270	0.7
131.08560	1.8
133.06503	0.6
133.10135	2.1
135.08072	4.1
135.11681	2.2
137.09616	8.5
137.13266	0.7
139.07541	2.3
143.08557	0.6
144.09331	0.7
145.10172	2.7
147.11748	0.8
149.09630	14.2
149.13066	0.5
151.07549	1.8
151.11205	0.5
151.14815	0.5
157.10110	0.7
159.08067	0.8
159.11731	2.6
160.08841	0.7
161.09605	1.4
161.60744	0.5
163.07481	0.7
163.11189	23.2
165.09120	100.0
166.09517	0.8
172.08859	0.5
173.09618	2.9
173.13269	2.5
175.11177	6.3
176.08344	1.4
177.07637	0.8
177.09116	11.5
177.12708	2.6
179.10672	1.3
186.10428	0.8
187.11227	2.7
187.14806	0.9
189.12785	2.3
190.09857	1.7
191.10672	10.4
191.14377	0.8
200.12100	0.6
201.12721	3.1
203.10677	1.3
203.14272	1.3
204.11473	0.8
205.12236	9.8
207.13754	0.5
215.14328	2.2
217.22072	0.5
219.13805	5.3
229.15956	1.2
233.15405	2.4
247.16985	1.2
261.18436	1.5
275.20148	0.9
289.21674	2.0
303.23138	1.6
317.24670	1.1
331.26288	0.6
345.27789	0.6
359.29486	0.8
373.31033	0.8
374.13226	0.7
388.29498	0.5
401.34360	3.3
411.36325	3.5
420.15811	0.5
429.32532	2.8
429.37289	60.9
430.37717	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96785	0.3
62.07168	0.3
71.19614	0.7
72.25583	0.3
80.90231	0.4
81.03385	0.3
83.01370	0.3
85.02908	1.0
109.02876	0.3
121.02864	0.5
127.03994	0.4
130.08661	0.3
138.27969	0.3
152.07010	0.4
153.01834	0.5
166.04823	0.5
184.05826	3.2
204.10231	0.4
250.10782	0.4
254.10104	0.4
257.00870	0.3
268.06244	0.5
268.11865	1.5
268.14963	0.4
269.09918	0.5
286.09015	0.5
303.01489	0.4
314.08420	0.8
344.09552	9.7
346.11169	2.1
400.15964	0.6
430.16901	100.0
431.17163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
67.05505	1.0
69.03423	1.2
70.06596	0.4
70.87203	1.1
71.04995	0.4
72.08160	0.5
81.03422	1.4
85.02910	1.4
91.05469	1.0
93.07047	1.1
95.05041	0.4
95.07336	0.8
95.08614	7.1
97.02892	0.6
105.07047	0.5
109.02876	3.0
109.06512	0.5
110.06034	1.8
110.09693	4.0
119.04932	0.7
120.08087	1.1
121.06507	1.3
123.07996	0.5
124.07586	1.2
127.03921	1.2
137.05991	4.0
138.09154	42.9
148.07610	0.5
149.06001	0.7
151.03897	0.9
163.11147	0.7
164.11519	0.8
166.08655	100.0
167.08998	0.8
184.09718	12.4
233.11720	0.5
274.10880	1.0
292.11853	2.6
310.12900	4.3
328.13992	3.4
410.80942	0.5
412.20279	0.5
430.21396	4.4
431.22675	0.5
432.89856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77245	1.2
53.98971	1.5
55.01871	4.9
57.03448	11.1
57.07080	12.8
58.24298	1.3
59.05014	1.4
61.02932	3.8
63.04500	19.0
69.03082	1.2
69.03434	10.8
70.84480	3.6
71.01351	1.3
73.02927	16.1
85.02444	1.7
85.02917	28.3
86.09708	2.7
87.04472	2.4
91.05506	2.4
93.07069	1.7
97.02903	17.9
106.00980	1.6
109.02898	2.8
114.01336	1.4
115.03956	10.7
119.10712	100.0
125.09624	1.9
127.03918	6.4
133.04984	13.2
138.09171	4.5
139.18466	1.5
145.04999	9.9
149.09627	2.6
150.07582	1.3
163.06024	4.6
165.05286	1.4
166.08702	8.6
177.05502	2.1
184.09709	1.8
185.90843	1.5
209.15425	1.5
223.06038	1.7
241.07149	3.3
258.48032	1.5
259.08209	3.6
281.16235	2.1
302.12100	1.5
322.04156	1.6
380.42599	1.5
430.18399	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	430.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
57.07089	2.8
58.07410	0.6
62.95590	0.8
67.05504	2.8
69.07062	0.9
70.23449	0.5
70.93394	0.8
71.08617	1.6
79.05473	0.7
81.07047	2.3
82.07363	0.5
83.04956	0.5
85.10159	0.8
91.05464	0.8
93.07044	1.5
95.08607	0.9
107.08604	1.0
108.08908	0.6
109.10158	5.5
110.10492	0.6
111.11608	0.5
119.08569	2.4
121.06516	9.7
121.10130	1.2
122.07278	1.8
123.08006	0.6
135.08055	1.8
136.08844	12.2
137.09619	13.6
139.07558	0.5
149.09624	3.4
150.09938	0.8
151.07561	0.6
152.08334	0.9
159.11691	0.6
163.11168	2.2
164.08345	34.0
164.11395	1.3
165.09120	100.0
166.09447	7.2
175.07451	0.6
175.11211	0.6
176.11563	0.6
177.09081	1.5
178.09534	0.8
187.11160	0.6
190.09982	0.8
191.10603	1.3
192.11003	0.7
202.13040	0.6
204.11104	0.5
205.12280	7.3
206.12462	1.2
219.13937	0.6
393.96045	0.6
430.38025	79.1
431.38324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.4
56.94764	4.9
56.96564	5.9
57.03426	8.9
67.05512	14.3
69.03425	14.5
69.07066	17.8
70.10819	4.6
71.04997	29.4
79.05492	16.3
81.03426	6.3
81.07067	46.7
83.04977	7.8
85.02909	13.4
85.06561	6.3
88.64811	4.2
91.03967	4.7
91.05468	22.9
93.07075	43.0
95.04988	9.6
95.08615	38.2
97.02892	7.8
98.97658	6.6
103.05469	4.7
105.07040	77.9
107.04941	4.6
107.08595	50.9
109.02889	6.2
109.06541	9.2
109.10159	34.6
111.04458	6.5
111.08099	5.3
117.07005	10.0
117.89503	5.0
119.08607	71.2
121.10155	24.7
123.11766	26.3
125.09635	17.0
127.03982	5.8
127.11207	64.2
131.04988	4.8
131.08578	17.1
133.10097	30.1
135.08005	5.7
135.11705	23.3
137.05954	6.5
137.77948	4.6
139.11217	4.9
141.12784	5.7
143.08589	6.5
143.10687	21.6
145.06476	5.9
145.10155	30.7
147.11707	79.5
147.12802	6.8
148.05185	6.1
149.13274	13.8
151.07500	7.9
157.10159	9.3
159.11707	49.8
161.13292	13.2
163.11165	8.0
163.14853	7.1
165.12852	7.7
167.07092	12.5
170.69514	4.9
173.06024	13.9
173.13306	11.5
175.14827	6.2
181.05006	19.9
181.08607	55.9
185.13312	4.9
203.17960	14.6
215.18013	21.8
219.10114	5.2
221.19052	26.0
233.08159	5.1
233.19073	39.0
251.17619	8.6
251.20085	100.0
269.12424	5.2
269.21094	27.2
272.09030	5.4
285.10132	6.8
289.09558	5.6
401.15942	13.7
413.30243	5.5
431.16888	38.6
431.27475	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	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
57.03447	1.0
57.65817	0.2
68.18965	0.2
69.03434	0.8
70.81496	0.4
71.04604	0.2
71.04996	4.4
73.02921	1.5
75.04496	0.3
78.07229	0.2
79.05484	1.4
81.03413	0.3
83.04988	0.7
85.02911	6.1
85.03435	0.3
91.05482	0.6
95.04990	0.5
97.02869	0.5
98.97564	0.2
99.04456	0.5
106.06557	100.0
107.06875	0.5
108.08120	0.3
110.88181	0.2
117.05518	0.3
118.06540	5.1
120.08121	0.9
121.10035	0.2
124.07568	1.0
129.05511	1.4
130.06519	1.4
132.08093	0.6
134.06013	0.4
147.06488	0.4
148.07597	1.7
158.99718	0.2
160.07555	0.3
174.09172	0.6
178.08739	0.3
190.08621	0.4
216.10356	0.4
219.69273	0.3
225.40099	0.2
234.11304	1.5
250.10919	0.3
252.12320	3.6
268.11798	0.4
270.13452	0.6
286.12955	1.1
300.10010	0.2
345.60144	0.2
432.18079	1.2
432.23828	0.9
455.61115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
53.89829	4.2
55.01879	5.6
69.03438	11.2
69.07066	15.0
70.06583	5.1
71.04984	11.2
71.53346	8.4
73.02915	4.5
78.28424	4.4
79.05509	5.2
81.03411	8.5
81.07084	9.7
83.04983	4.8
85.02922	23.9
86.09715	4.7
91.05470	7.6
93.07049	9.4
95.04945	8.0
95.08605	11.0
97.02888	6.3
98.97604	7.6
103.89030	4.8
106.06551	5.8
107.04979	7.7
107.08569	10.8
109.02900	6.7
109.10165	7.5
110.09688	5.6
117.07034	7.0
119.08568	7.9
121.06486	5.6
121.10145	13.3
123.08092	100.0
124.03818	4.9
124.07626	29.0
127.03899	22.0
131.04909	14.2
133.10127	6.3
135.11736	4.9
137.05960	9.5
137.09628	6.3
138.09178	11.4
142.08676	4.8
149.09676	7.1
151.03915	6.0
151.11186	6.8
161.05992	6.2
166.08636	13.5
181.12212	17.2
184.09700	21.8
207.13918	10.6
225.14914	33.8
235.76581	4.8
252.10220	6.4
252.13290	6.0
252.16043	16.1
253.14473	5.5
270.17001	20.4
271.06067	11.4
310.12854	5.1
328.13885	6.8
332.10907	4.8
361.02341	5.4
420.97061	4.7
432.15778	10.6
432.25980	10.5
433.11118	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	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
53.89829	4.2
55.01879	5.6
69.03438	11.2
69.07066	15.0
70.06583	5.1
71.04984	11.2
71.53346	8.4
73.02915	4.5
78.28424	4.4
79.05509	5.2
81.03411	8.5
81.07084	9.7
83.04983	4.8
85.02922	23.9
86.09715	4.7
91.05470	7.6
93.07049	9.4
95.04945	8.0
95.08605	11.0
97.02888	6.3
98.97604	7.6
103.89030	4.8
106.06551	5.8
107.04979	7.7
107.08569	10.8
109.02900	6.7
109.10165	7.5
110.09688	5.6
117.07034	7.0
119.08568	7.9
121.06486	5.6
121.10145	13.3
123.08092	100.0
124.03818	4.9
124.07626	29.0
127.03899	22.0
131.04909	14.2
133.10127	6.3
135.11736	4.9
137.05960	9.5
137.09628	6.3
138.09178	11.4
142.08676	4.8
149.09676	7.1
151.03915	6.0
151.11186	6.8
161.05992	6.2
166.08636	13.5
181.12212	17.2
184.09700	21.8
207.13918	10.6
225.14914	33.8
235.76581	4.8
252.10220	6.4
252.13290	6.0
252.16043	16.1
253.14473	5.5
270.17001	20.4
271.06067	11.4
310.12854	5.1
328.13885	6.8
332.10907	4.8
361.02341	5.4
420.97061	4.7
432.15778	10.6
432.25980	10.5
433.11118	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	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.2
69.03424	9.9
69.07091	4.3
71.04984	5.0
72.06385	3.0
72.67237	3.1
76.64928	3.1
81.03397	4.9
81.07052	12.6
83.04992	4.2
85.02888	25.3
86.09701	11.5
91.05511	4.9
93.07052	8.7
95.08601	6.2
97.02868	7.8
97.06513	6.1
99.04427	5.8
105.07018	7.6
107.08608	8.1
109.02896	4.6
109.06502	11.7
111.08083	7.2
119.08564	10.5
121.10155	13.6
123.08069	7.4
123.11700	15.6
127.03928	9.4
133.10121	7.0
136.07573	4.9
137.09621	18.0
145.04895	3.7
147.11699	14.5
149.09610	9.4
151.07681	4.3
155.06059	8.2
161.09648	4.3
161.13240	8.0
165.12756	100.0
169.07651	18.0
179.10754	4.4
179.14259	4.9
183.05566	10.7
185.07231	5.3
189.12686	18.4
193.07632	10.9
195.05582	18.9
196.06326	7.4
197.07080	13.5
199.18060	4.7
207.13834	68.8
211.08649	3.9
213.06677	11.4
217.15833	18.8
220.87445	3.4
221.07040	9.6
225.06590	28.4
229.06097	5.0
232.63437	3.8
235.16885	8.3
239.08208	15.6
249.06645	5.5
250.07169	3.9
253.06255	6.3
267.07758	6.5
268.08377	3.8
271.06577	19.2
277.05981	7.4
285.08725	26.6
292.10492	3.9
295.07095	19.8
313.08176	16.8
331.09143	7.5
354.10791	8.2
372.12012	23.1
386.13623	4.6
396.11786	7.7
397.22229	12.7
414.12912	27.9
432.13907	60.1
432.19269	4.9
432.25580	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	433.1136
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01857	1.7
55.05481	0.8
56.96553	0.8
57.03411	1.2
62.49198	0.8
65.03909	0.7
66.43281	0.7
67.05491	1.3
68.99802	0.9
69.03421	1.7
73.02892	1.7
79.01851	1.0
81.03403	1.8
81.07059	1.1
85.02921	4.6
86.92770	0.7
87.12865	0.7
91.05463	1.6
93.07019	1.4
95.04959	1.3
95.08604	0.9
97.02882	2.0
98.21539	1.6
101.87244	0.6
103.03898	0.9
105.07008	0.9
107.04978	0.8
109.02856	1.2
109.06475	1.1
109.10129	2.0
119.04974	4.2
121.02891	10.8
121.06506	1.0
125.24660	0.7
126.83663	0.6
127.03912	1.3
131.04945	1.3
137.06007	1.3
137.09601	1.9
138.09055	0.9
145.02815	2.5
149.02310	2.2
151.03915	0.7
161.05978	1.0
163.03876	3.1
165.01860	10.9
165.09189	2.0
166.08690	0.9
167.03398	2.2
167.07050	1.4
175.03815	0.6
177.01767	1.5
181.04912	1.2
183.02910	2.8
187.03897	1.7
191.03421	1.6
195.02913	0.7
213.05467	2.1
215.03484	0.8
217.05002	1.2
229.05008	1.0
229.09111	0.8
239.06967	0.8
243.02885	0.8
243.06609	0.8
255.06528	3.4
256.07309	2.8
259.06046	1.3
261.03992	1.6
267.06522	6.5
270.05142	3.8
271.06042	4.9
277.08704	0.7
279.06619	1.5
281.08078	5.5
283.06046	100.0
284.06808	21.2
285.07516	1.8
293.08124	1.2
295.06104	13.2
295.09412	1.8
297.04297	1.1
297.07581	9.8
305.08011	2.4
307.06018	1.4
308.06827	3.3
309.04102	1.7
309.07620	18.8
311.05569	2.1
313.07098	87.1
314.07596	1.1
318.63770	0.8
321.07629	2.6
323.05447	1.6
323.09186	20.1
325.07059	3.0
327.08664	1.1
333.07654	3.2
337.07095	34.2
343.08194	1.1
349.07071	9.8
351.08670	5.0
355.08197	1.1
361.07202	6.4
367.08200	24.5
379.08179	19.3
397.03970	1.0
397.09219	27.1
415.10297	31.8
433.11371	45.5
433.16571	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
57.03432	2.5
69.03421	1.8
69.07082	0.8
69.19612	4.3
69.20035	3.7
71.04996	7.6
79.05489	2.4
80.38596	0.8
81.07069	1.6
85.02909	9.6
86.09672	0.8
91.05490	2.5
93.03409	0.8
93.07037	1.4
95.05010	1.2
95.08584	1.5
96.47752	0.7
97.06519	0.7
98.21587	1.5
98.97588	1.3
102.03765	0.8
103.05478	4.2
105.07021	4.8
107.04961	34.0
107.08627	1.9
109.02891	0.8
109.10156	0.9
115.05431	1.7
117.07032	1.0
121.02864	3.0
121.06501	1.4
123.04408	1.8
123.08118	1.1
124.05267	1.9
127.03911	1.3
129.05481	0.9
130.12181	0.8
133.02840	1.0
133.06491	1.3
135.08057	12.1
137.02376	1.0
137.05971	2.3
149.06001	1.0
149.09712	1.0
151.07468	0.9
152.04721	0.9
153.01846	4.3
163.07545	33.5
165.01848	1.5
167.07047	76.8
180.07813	2.4
181.04953	0.8
181.08505	1.1
183.02966	1.0
185.04460	1.1
191.14258	1.4
193.08670	3.8
195.10193	22.9
211.09679	6.6
213.11220	70.2
223.09747	0.9
258.05280	1.3
271.05966	1.0
271.13638	1.3
283.06061	2.3
287.05511	100.0
287.14856	30.1
288.05698	1.1
309.07751	0.9
313.07089	3.3
313.10406	0.9
415.09750	1.1
422.13876	1.0
433.10968	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01864	8.2
55.05270	2.2
55.05514	28.3
56.96559	2.8
57.03425	5.8
64.70594	1.9
67.05505	32.1
69.03419	7.2
69.07074	19.3
71.04990	4.3
71.53513	2.6
79.05073	2.6
79.05498	39.7
81.03420	6.6
81.07053	36.2
83.04969	7.6
83.08627	15.1
85.02913	4.9
85.06563	4.2
91.05482	35.0
93.07050	33.8
95.04973	25.4
95.08607	21.5
97.06507	9.4
97.10177	21.1
98.97613	3.3
103.05431	3.4
105.04572	2.6
105.07038	31.8
107.04961	11.2
107.08596	25.7
109.02902	2.9
109.06532	8.5
109.10154	14.7
109.61303	2.1
111.08076	4.4
115.05463	2.6
117.07016	16.4
119.04987	3.0
119.08570	16.3
121.06528	16.4
121.10147	20.0
123.04362	2.1
123.08079	7.9
123.11739	5.3
125.09645	15.0
128.06235	4.2
129.05510	3.1
129.07005	21.1
131.04921	10.3
131.08583	24.2
133.06502	7.6
133.10124	11.9
135.04375	3.4
135.08055	9.3
135.11682	6.6
137.05989	4.4
137.09659	3.8
141.07013	6.2
143.08585	13.9
145.06479	20.6
145.10135	14.0
147.08073	8.2
147.11662	4.8
149.09639	19.5
149.13252	3.7
153.09084	3.5
155.08554	9.8
157.06525	2.5
157.10167	7.7
159.08078	6.1
159.11746	8.6
161.09668	6.7
161.13229	3.9
163.11203	6.4
165.07062	3.6
167.07109	2.5
167.08583	3.5
169.10118	11.0
171.07985	3.7
171.11682	18.8
173.09634	7.8
173.13297	3.0
175.11221	5.6
175.14883	3.4
177.12785	4.5
177.42125	1.9
181.10146	4.4
183.11719	5.8
185.09624	4.3
185.13277	3.4
187.11188	6.5
189.09100	3.4
189.11226	11.4
189.12791	14.4
191.07092	2.6
195.11713	4.5
197.09534	3.6
197.13287	3.7
199.11201	4.2
199.14789	2.7
201.12720	4.4
201.16379	2.9
205.12263	4.2
207.11755	2.4
211.11159	5.5
213.12837	3.4
215.10751	4.0
222.04617	2.1
223.13348	5.8
225.12747	2.6
227.12698	4.1
227.17841	2.3
229.12291	4.0
243.13857	5.0
255.17572	2.2
257.15378	2.0
259.16754	2.0
267.16055	3.7
273.14865	2.8
273.18719	2.1
289.64819	2.1
295.26288	1.9
313.21640	5.7
323.20114	20.9
341.21112	91.0
341.25214	4.7
359.22198	7.5
377.23395	2.8
379.22580	2.3
397.30988	3.4
415.24832	47.9
415.31903	5.6
433.25943	100.0
433.32440	9.1
434.26291	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	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01871	8.3
55.05512	31.8
56.96581	1.0
57.03438	9.5
57.07069	1.0
64.00393	0.8
65.03939	3.3
67.05507	32.7
69.03418	4.1
69.07074	10.8
70.86890	1.3
70.87234	1.9
71.04977	3.6
73.71072	0.8
79.05492	48.4
81.03422	7.5
81.07056	30.9
82.97515	1.0
83.04995	6.1
83.08623	15.7
85.06538	2.5
91.05479	36.7
93.07044	31.3
95.04971	27.6
95.08608	16.9
97.06525	3.6
97.10166	19.2
101.06046	0.8
103.05465	2.6
105.03415	1.7
105.04516	1.7
105.07034	28.2
107.04958	16.3
107.08599	20.3
108.43718	0.9
109.02881	1.7
109.06509	5.5
109.10169	10.0
111.08073	3.0
115.05466	2.9
116.06263	1.5
117.07020	17.7
119.04955	4.4
119.08577	13.6
121.06513	16.6
121.10147	13.5
123.04401	1.2
123.08082	7.5
125.09636	17.0
128.06200	3.7
129.05476	3.2
129.07007	21.2
130.07777	1.1
131.04918	14.8
131.08575	27.3
133.06511	8.8
133.07481	1.3
133.10149	6.5
135.04419	2.1
135.08069	10.4
135.11684	3.2
137.06020	1.1
137.09598	2.8
141.07007	8.8
142.07843	1.7
143.08563	13.5
145.06499	19.3
145.07628	1.4
145.10141	13.4
147.04439	1.3
147.08049	10.0
147.11690	5.0
149.09627	23.3
149.10767	1.9
151.11198	1.2
153.07008	2.5
153.09096	2.4
154.07787	2.6
155.08594	7.5
156.09311	1.3
157.06490	4.5
157.10162	7.2
159.08026	8.2
159.11685	9.5
161.09654	4.3
161.13254	2.8
163.11168	5.0
165.06987	2.9
167.08571	3.0
169.06500	1.3
169.10107	13.1
171.08083	4.2
171.10242	2.0
171.11671	18.5
173.09639	8.9
173.13306	1.6
175.11212	2.8
177.12781	3.6
179.08536	2.2
181.10103	4.6
183.08113	2.6
183.11694	6.2
185.09615	4.3
185.13278	4.5
185.31902	0.9
187.11176	9.5
189.09145	3.4
189.11201	8.4
189.12782	12.7
191.08675	1.2
191.10545	1.0
191.14348	1.2
193.10188	2.0
193.12190	1.6
195.11673	4.6
197.09619	5.1
197.11345	1.0
197.13284	2.3
199.11203	4.2
199.14821	1.0
201.12778	3.6
203.10681	2.3
203.14281	0.9
205.10335	1.4
205.12215	6.9
207.11670	2.4
209.13255	2.8
211.11201	6.8
211.14839	1.6
213.12769	3.8
215.10732	2.8
215.14301	1.6
217.12238	1.3
221.11575	1.2
221.13455	1.3
223.13170	5.3
225.12759	3.5
227.10890	1.2
227.12648	5.7
229.12256	6.1
229.15819	1.4
231.13837	3.1
235.14926	1.0
239.14333	2.1
243.13824	3.6
245.13528	1.3
247.13370	1.2
249.14995	2.5
257.15378	3.4
261.14853	1.7
267.15994	3.5
273.14899	3.9
295.20593	3.7
299.16696	1.1
305.18979	2.4
313.21667	7.3
319.55798	0.9
321.17029	1.5
323.20081	22.0
331.22864	1.4
335.18805	1.6
341.21124	98.4
342.21628	1.6
349.20035	1.3
359.22137	10.0
377.23300	1.8
379.22592	1.8
389.23413	1.1
397.23865	3.2
415.24814	48.6
416.25418	1.2
433.25867	100.0
434.26254	1.7
448.25580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03949	1.4
55.05506	5.9
55.07660	1.1
57.94805	1.4
60.25355	1.3
67.05505	7.2
69.06664	1.5
69.07069	22.0
70.25059	5.3
70.50264	1.2
79.05508	4.4
81.07051	6.4
83.08614	2.9
91.05483	5.8
93.07053	8.5
95.08607	11.4
105.07041	18.6
107.08615	10.5
108.58497	1.3
109.10122	7.0
117.07024	1.9
119.08594	20.5
121.10165	7.2
123.11747	3.3
131.08551	10.5
133.10143	10.6
135.11705	4.1
142.07774	2.6
143.08585	5.5
145.10120	10.5
147.11731	4.5
149.13260	3.1
155.08580	2.6
156.09395	2.7
157.10129	9.5
158.10880	2.0
159.11726	8.7
161.13300	3.1
163.14786	1.6
169.10170	4.9
171.11728	8.4
173.13246	13.7
175.14850	8.5
177.16293	1.3
179.08540	1.4
181.10158	4.3
183.11697	5.0
183.81387	1.3
185.13231	3.4
187.14822	6.3
189.16411	4.3
193.10097	1.9
194.10849	2.0
195.11726	4.9
197.13298	5.1
199.14850	5.6
201.16360	1.4
205.10159	1.9
207.11761	5.7
209.13271	7.1
211.14821	4.5
213.16406	8.0
219.11778	3.5
221.13272	7.2
222.14005	1.8
223.14838	6.2
225.16382	2.9
227.18051	1.8
233.13278	3.9
235.14856	4.3
237.16409	2.4
239.17957	1.5
243.08611	1.3
246.13943	1.7
247.14806	6.5
249.16383	5.5
251.18034	2.3
261.16409	5.3
262.17331	1.6
263.17966	6.2
265.19550	2.2
275.18021	5.8
277.19501	3.7
281.22656	1.3
283.06152	2.7
289.19461	3.7
293.15405	2.6
301.19666	1.9
303.21075	3.0
304.21817	2.4
305.22733	1.7
313.07169	1.7
317.22672	10.0
318.23495	2.5
319.24191	19.6
323.20123	4.3
331.24228	15.6
333.25668	1.7
345.25854	2.7
349.21603	7.2
363.23129	6.3
364.24002	8.8
365.24762	2.7
372.28046	1.7
377.24734	26.1
387.30392	10.9
390.25522	3.2
415.31250	1.5
433.31042	100.0
434.31512	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.7
56.99878	3.9
58.83633	3.8
59.05005	52.3
67.05495	14.5
69.07059	5.3
69.65363	22.7
72.85332	4.6
79.05484	16.4
81.07050	19.3
83.08588	5.0
85.06075	7.3
85.06546	100.0
91.05492	36.7
93.07046	35.6
94.71124	4.3
95.08607	23.8
98.21500	5.6
105.07054	35.6
107.08605	20.0
109.06513	10.5
109.10164	19.1
111.08099	7.7
115.05458	5.9
117.07009	19.7
119.08584	58.0
121.10131	20.6
122.07281	5.5
123.08067	8.6
125.09633	29.2
128.06261	11.1
129.07005	5.6
131.08580	22.8
133.10121	15.4
135.08051	5.8
135.11671	7.9
137.09604	21.8
142.07790	11.8
143.08548	17.5
145.10147	27.1
147.08055	5.6
147.11681	12.5
149.09622	9.9
151.11191	29.4
155.08545	9.7
156.09407	10.5
157.10104	21.4
159.11708	16.6
163.11064	5.1
169.10065	8.4
171.11720	17.7
177.48007	4.8
179.08543	5.6
181.10167	7.3
183.11687	16.0
185.13223	10.6
189.12701	5.3
193.10155	4.6
195.11668	8.0
197.13235	5.6
203.14369	7.0
207.11635	7.6
209.13327	11.7
211.14716	5.4
215.14369	5.2
221.13210	5.6
223.14749	5.6
253.19601	4.1
341.24625	4.5
354.31232	4.4
433.31110	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	433.3317
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
53.03967	2.2
55.05518	9.0
67.05499	12.8
68.56215	1.6
69.07071	12.1
71.52678	1.9
79.05495	11.6
79.59322	1.9
81.07068	30.0
83.04977	3.2
83.08616	5.1
85.06544	3.1
91.05492	12.2
93.07047	35.0
95.08616	51.5
97.06553	4.8
99.04456	3.6
105.07046	22.4
107.08603	49.2
109.06575	3.2
109.10178	26.0
111.08064	3.0
117.07039	4.4
119.08593	45.8
121.06516	2.2
121.10144	38.9
123.08065	3.0
123.11731	7.7
129.06969	1.6
131.08604	10.0
133.10143	41.0
135.08101	2.6
135.11694	38.5
137.09653	3.3
137.13217	4.7
143.08615	3.7
145.10158	19.9
147.11696	38.5
147.12796	2.8
149.09639	3.4
149.13277	14.9
151.11183	10.6
153.09061	2.8
155.08635	1.9
157.10170	7.2
159.11699	27.0
161.13263	21.2
163.14848	9.7
165.12732	1.9
167.10689	6.1
169.12273	2.2
171.11719	3.6
173.13290	15.0
175.11308	2.8
175.14799	14.4
177.12778	5.1
177.16434	9.1
179.14340	5.4
181.12289	2.5
183.11655	3.3
185.13249	4.3
187.14836	14.6
189.16400	67.8
191.14316	2.1
191.17970	5.3
193.12184	1.9
193.15887	3.5
195.11890	2.7
195.13806	8.1
199.14894	3.8
201.16406	17.1
203.14296	2.3
203.17972	6.3
207.13837	5.4
207.17461	51.5
209.13435	2.0
209.15419	3.2
211.14836	2.6
213.16406	5.0
215.17989	24.9
219.13835	2.0
221.15277	9.5
225.02315	2.0
229.19574	15.4
233.19012	7.8
235.14807	2.3
235.16994	8.0
241.19450	2.2
243.21040	3.6
247.16885	2.1
247.20605	4.8
249.18489	5.7
259.16885	2.2
261.18518	4.5
275.20215	2.4
313.21512	2.1
327.23431	2.7
341.24869	2.4
379.30130	5.0
390.90509	2.1
397.31064	100.0
415.32358	26.2
433.32388	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	434.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47377	0.3
55.05504	0.5
56.96562	0.4
67.05501	1.5
69.03423	1.1
70.43347	0.7
70.43713	0.7
76.65487	0.3
81.03419	0.7
81.07057	0.3
83.04962	0.5
85.02919	2.2
93.07074	0.7
93.08804	0.4
93.56886	0.3
95.08606	3.7
97.02885	1.2
98.97575	0.7
101.31036	0.3
105.07018	0.7
109.02875	0.5
122.02728	1.9
123.04427	0.4
123.08067	7.2
124.03976	0.3
127.02172	0.5
127.03905	1.4
140.07072	0.9
145.04895	0.4
151.07547	100.0
152.07924	0.9
153.01814	5.1
153.02980	0.4
154.08640	0.8
159.34109	0.4
166.08730	0.4
171.02927	0.5
177.29312	0.4
182.08136	1.0
211.69644	0.3
214.76903	0.3
258.13293	0.4
272.09448	6.8
272.11880	0.6
284.08249	1.8
303.01328	0.4
313.12799	22.1
315.07138	1.3
398.09210	0.5
434.13364	1.2
434.17169	1.8
450.51520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
58.45244	0.7
69.03420	2.8
71.45432	1.0
79.01846	1.9
81.03419	6.4
85.02900	5.3
97.02908	4.5
99.04453	1.2
106.08105	0.6
107.01328	1.4
109.02882	6.0
125.02350	2.9
127.03949	7.2
143.03435	2.0
145.04961	1.9
153.01831	100.0
154.02225	0.9
171.02896	15.3
182.08231	0.6
195.39270	0.6
225.22375	0.6
236.09026	0.6
242.58852	0.7
245.93929	0.7
272.00488	0.8
297.06052	9.6
315.07104	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	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01875	12.4
55.05499	1.4
56.96563	2.1
57.03439	26.6
59.05006	2.8
61.02930	15.4
61.77737	1.0
66.76782	1.0
69.03432	33.9
70.06590	1.9
70.64800	1.7
70.65137	2.6
71.01346	5.1
71.04998	2.8
73.02917	39.8
75.04534	1.4
76.64034	1.2
79.05508	6.3
81.03417	9.8
83.04975	1.3
85.02908	100.0
87.04467	8.5
91.03959	5.1
91.05476	1.3
95.04958	2.4
97.02898	56.7
98.97575	2.7
99.04458	4.1
103.03941	2.2
105.03408	4.7
109.02878	9.7
111.04446	1.8
115.03930	28.0
116.53696	1.1
121.02865	1.7
123.04428	21.6
124.07632	1.3
125.02378	1.9
127.03920	31.3
129.05423	1.5
132.06537	2.3
133.04965	37.8
137.05957	1.2
138.09163	3.4
139.03893	2.3
143.03432	2.2
144.06581	2.8
145.04962	50.0
147.04526	1.2
149.06052	1.8
150.07616	4.4
153.01836	19.7
163.03918	1.5
163.06056	16.2
163.07417	2.6
166.08643	9.1
169.04948	1.0
170.07127	7.0
171.02878	2.8
180.08652	3.0
182.08119	1.4
199.06020	1.5
201.76105	1.0
219.01814	2.4
219.06573	1.6
222.07550	1.2
223.06038	2.8
241.07112	4.2
254.39191	1.1
255.08826	13.1
259.08185	3.1
273.09784	4.5
285.09735	3.6
297.06140	2.1
315.07065	3.2
434.13998	15.6
434.24353	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
57.03442	9.6
59.62249	1.1
61.02939	1.6
68.75268	1.2
69.03426	2.9
70.97423	1.4
70.97766	2.1
71.05002	70.0
73.02911	3.1
75.04499	5.0
81.03458	1.6
83.04995	10.1
85.02914	100.0
87.04481	3.0
91.05489	22.3
95.08600	1.8
96.61192	1.2
97.02909	6.9
98.97617	1.7
99.04446	2.2
103.03956	2.2
105.07001	3.1
107.08611	2.5
109.10114	1.5
110.06017	1.2
111.04471	6.4
115.03946	2.5
121.02895	2.0
121.10156	2.0
125.09653	6.2
127.02280	1.5
127.03941	5.2
129.05501	48.6
133.06438	2.3
139.03822	1.4
145.04996	5.4
145.06497	1.6
146.08156	1.6
147.06541	26.2
149.09610	9.5
151.11238	2.1
153.01915	1.4
153.09100	2.2
155.16537	1.2
164.09225	8.5
186.88643	1.4
191.14374	4.3
193.59489	1.4
209.15393	24.9
227.16467	6.0
255.08664	1.6
273.09589	3.2
297.85861	1.4
309.11862	2.0
380.53897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01865	2.4
57.03444	28.5
59.04998	4.0
59.71601	0.7
60.04532	1.2
61.02938	9.1
69.03436	60.3
70.88129	2.1
71.01353	1.5
71.04993	3.6
73.02928	35.8
79.66328	0.9
81.03431	5.8
83.04971	0.9
85.02913	100.0
87.04475	34.4
91.03992	4.5
96.04504	0.9
97.02901	63.5
99.04455	3.8
103.03933	1.5
105.07046	16.1
107.76886	0.9
109.02886	6.4
111.04494	0.9
115.03942	80.5
117.06986	1.2
119.08615	1.7
121.02813	0.9
127.03925	24.4
129.07007	1.5
131.08714	0.8
132.06606	1.4
133.04980	63.7
133.06551	3.2
137.05981	2.9
145.04976	44.6
147.08078	3.7
150.07646	10.2
151.03920	2.0
160.97009	0.8
161.06035	1.1
162.07681	1.0
163.06029	23.3
163.07408	1.9
165.09093	1.9
167.07074	1.4
171.08038	1.2
180.08696	1.5
181.04988	1.5
183.10249	1.1
189.09126	1.5
201.09108	3.6
207.10068	1.6
219.10205	1.9
223.06007	3.5
231.10284	1.4
233.08206	1.6
241.06975	4.3
249.11264	2.2
255.12164	1.0
257.13892	5.5
259.08173	6.7
277.09167	2.8
285.13385	8.3
295.10187	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54908	0.9
53.71637	0.8
55.05510	2.6
56.23213	0.8
57.03421	1.1
65.03934	1.1
67.05517	1.2
69.03436	7.0
69.07066	2.1
70.06588	1.9
70.30602	1.7
70.31003	1.6
71.05000	5.5
71.75577	0.9
72.08137	1.3
76.78510	0.8
79.05499	1.0
81.03426	4.0
81.07069	2.8
83.04987	3.3
83.08636	2.3
84.08957	1.0
85.02917	12.3
91.05489	1.9
93.07050	2.5
95.04975	3.4
95.08610	4.5
96.33935	0.7
97.02895	3.3
97.06530	1.4
97.10176	2.4
98.97586	0.9
99.08092	3.8
99.12327	0.8
101.01679	0.9
105.68324	1.0
107.08584	8.6
108.78083	0.9
109.02886	1.9
109.06506	1.8
109.10175	3.7
111.04436	1.6
111.08072	1.9
116.09853	0.9
121.02882	42.9
121.06503	1.0
121.10147	5.3
123.08071	2.1
123.11780	1.1
124.07628	2.4
125.06025	1.6
125.09640	30.8
126.09185	2.1
127.02212	1.1
127.03917	3.4
127.09512	1.3
129.05489	4.0
131.08545	1.3
133.10184	2.1
135.08072	3.3
135.11719	1.5
137.05952	1.6
137.09633	1.7
139.03911	8.7
139.07564	1.2
142.08661	1.6
145.04999	2.0
147.06435	2.0
147.11703	1.6
149.09633	35.8
149.13246	3.7
151.11182	7.4
153.09111	7.5
163.14755	4.7
165.12764	1.2
169.09726	7.4
170.10112	5.0
173.13297	1.9
177.09079	1.3
182.08154	1.3
187.10820	1.2
188.11191	1.3
191.14320	21.2
209.15382	100.0
210.15666	1.7
227.16432	27.0
265.07111	5.6
283.08179	9.3
303.04657	1.0
314.14178	2.5
332.15430	1.0
371.20618	1.7
389.21701	1.3
430.30185	1.0
434.17245	2.9
435.18338	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	434.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
57.03430	4.7
58.36300	2.3
58.86194	1.9
59.80068	2.4
69.03427	4.9
69.07053	5.5
69.52074	14.1
71.04975	3.2
73.02894	6.2
81.03415	3.9
85.02896	9.7
93.07022	2.9
95.04974	5.4
95.08591	3.2
96.47566	2.5
97.02891	4.4
99.04462	3.1
105.07071	2.6
106.40611	2.1
107.08566	9.7
109.06488	4.5
109.10142	5.2
116.07038	2.1
119.08481	2.5
121.02765	2.5
121.10128	6.7
125.09599	3.5
127.03906	3.7
133.10109	5.4
137.02379	2.4
137.05995	3.7
147.11749	2.6
149.13239	3.9
151.11136	6.5
153.01811	3.6
153.09029	3.2
163.14833	4.3
165.01933	2.4
167.07048	2.9
169.08560	9.4
169.12257	2.8
173.13210	5.9
191.14288	22.2
204.53114	2.2
209.15366	22.6
227.16412	95.3
229.04865	2.7
237.14771	5.9
303.04974	100.0
369.63672	2.4
434.27460	35.5
441.54788	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	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.5
66.99709	5.1
69.03407	7.1
70.02672	6.2
70.06593	8.3
71.50411	6.0
107.08607	7.6
112.55018	5.5
121.10145	32.1
137.77831	5.5
147.11629	8.2
148.00375	5.3
151.24373	5.5
169.12297	6.3
173.13251	12.2
191.14334	23.6
196.68439	4.8
209.15376	22.2
227.16440	100.0
303.05017	20.7
320.04865	6.2
434.27499	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0924
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.35081	0.3
57.03432	0.6
61.02920	1.4
68.99801	0.5
69.03422	0.5
70.81811	0.7
70.82165	0.3
71.01363	0.5
73.02921	13.7
75.57204	0.3
79.59983	0.3
80.34821	0.3
85.02901	0.4
111.00790	0.8
115.03954	0.7
121.02888	0.9
137.02357	3.3
147.51173	0.3
149.02371	0.3
153.01852	3.8
161.05965	0.4
163.03879	0.4
165.01843	2.2
173.05928	0.4
183.02975	0.5
196.54013	0.3
199.15628	0.3
201.05472	1.9
202.44136	0.3
229.04982	4.4
247.05956	0.4
257.04474	2.4
274.04694	1.0
285.03989	1.2
303.05002	100.0
304.05283	1.3
312.03772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1499
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
53.03922	1.3
55.05495	1.0
56.99216	0.8
57.03426	1.1
61.02912	1.0
69.03442	4.7
70.06596	1.7
71.04996	2.0
71.54202	1.3
72.08141	0.9
74.09715	2.2
79.01837	2.5
81.03415	5.5
81.07042	1.4
83.04971	1.2
85.02908	10.0
85.06541	1.5
88.13459	1.0
91.05499	1.4
97.02926	4.3
98.97593	4.1
99.04420	1.0
103.05492	1.1
103.07539	1.1
107.01310	1.2
107.04939	1.0
109.02209	0.8
109.02849	5.3
111.04448	1.3
112.07620	0.9
112.36327	0.8
116.98598	1.4
117.12316	0.9
121.02833	1.3
121.06481	1.0
123.04443	5.8
124.07629	1.8
125.02346	4.3
125.07999	1.1
127.03927	12.0
133.06476	0.9
137.02347	2.4
137.05995	1.1
139.03906	1.5
140.07056	1.2
143.03406	3.4
145.04953	1.5
147.04378	1.5
151.03955	1.0
153.01834	100.0
153.02840	3.7
154.02182	2.2
163.03944	1.6
165.05472	1.2
167.07050	2.1
171.02884	9.0
237.02716	1.6
243.07007	1.0
253.51352	0.8
255.11407	1.2
265.07169	1.0
271.69897	0.9
273.07877	1.8
297.06091	3.7
315.07071	17.8
435.18900	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1652
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03941	1.8
55.01850	1.0
55.37985	0.6
65.03942	6.8
67.05493	3.0
69.03432	3.9
69.07059	0.7
69.91584	0.6
70.12679	0.7
70.78879	1.6
75.67498	0.6
78.17741	0.6
79.05497	7.0
81.03416	4.0
81.07040	1.5
82.04187	2.8
85.02903	5.9
91.05499	3.2
93.03412	2.3
95.01279	0.6
95.04956	2.3
97.06521	2.6
103.05462	1.8
105.07050	1.4
107.04297	1.2
107.04964	14.4
108.02086	0.9
109.02840	0.8
110.03669	4.3
111.04443	1.5
111.47731	0.6
111.81791	0.7
115.05446	4.3
117.07021	3.8
119.04926	1.1
121.06492	1.3
122.03613	0.7
123.04422	3.8
124.05216	3.3
125.05999	2.3
127.03957	4.5
128.06177	1.1
129.07001	2.2
131.04913	2.2
131.08583	2.4
133.06496	1.7
133.10159	1.5
137.06007	1.8
138.03127	2.3
141.06960	1.6
142.02615	2.5
143.04918	0.7
144.05707	3.2
145.06514	6.5
147.04369	1.3
151.03859	0.9
152.04692	1.6
153.01836	0.8
153.05464	4.1
155.06024	1.6
157.06487	1.8
159.08028	2.6
160.05205	0.8
161.06024	5.1
163.07510	1.2
165.01831	1.5
166.02600	0.7
167.07048	42.9
171.06560	3.1
171.53838	0.7
172.05209	6.2
173.05988	4.9
174.06752	0.9
175.07550	2.1
176.08331	0.8
177.05594	0.8
177.09125	0.9
179.07053	0.8
181.04968	100.0
185.05975	0.9
187.07523	9.1
189.05524	2.5
190.06252	1.4
191.07069	1.0
191.10661	2.0
195.02924	2.3
195.06541	3.0
200.04700	2.6
201.05498	5.3
202.06271	1.0
203.07031	0.9
205.08624	4.7
206.05763	2.3
207.10081	1.0
217.08662	1.8
218.05713	5.3
219.02864	0.8
219.06462	0.9
219.10121	5.5
220.05173	0.7
221.08066	5.7
231.06451	1.0
233.08086	46.4
235.07620	0.9
235.09705	2.1
236.08147	0.8
245.08122	2.1
247.07420	0.7
251.06963	0.8
251.09235	4.3
263.06958	1.0
263.09216	11.3
273.07532	0.9
273.12262	2.3
279.10193	1.8
281.10294	0.8
285.06985	1.1
292.07291	0.9
293.08209	0.9
295.09497	0.7
307.09586	1.7
309.07452	0.9
310.35260	0.7
313.07074	0.7
315.07709	0.8
323.08966	1.1
324.09952	1.0
325.10446	1.0
335.08972	1.1
339.08652	0.8
339.12524	1.5
341.10077	0.8
344.12460	0.9
346.10345	0.9
355.11743	2.6
358.27078	0.8
367.11743	2.9
369.09204	1.4
371.15021	1.3
372.12198	1.0
381.13400	2.3
387.14413	12.6
399.10239	0.9
399.14554	6.9
405.15417	1.5
417.15479	26.2
435.11691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01864	4.0
55.05496	1.2
57.03432	2.8
65.03941	2.8
67.05495	3.6
69.03422	3.8
71.04988	2.3
71.05992	1.4
73.02913	1.5
76.14964	0.9
77.03932	1.6
78.04696	1.1
79.05065	1.2
79.05499	14.1
81.03421	1.7
81.07043	3.8
83.04967	2.5
85.02899	3.5
85.06573	1.2
87.73919	0.9
91.05478	22.8
93.03376	1.4
93.07054	13.1
95.04970	9.8
95.08614	3.1
97.02917	1.5
97.06510	1.4
103.05469	12.6
105.04471	1.7
105.07025	14.7
106.04163	1.0
107.04954	38.2
107.08600	1.8
109.02873	1.4
109.06514	3.5
109.10204	1.1
110.03663	1.2
111.04428	2.7
115.05479	5.1
116.06219	1.1
117.07018	6.6
119.04935	5.5
119.08561	3.1
120.05732	2.3
121.02863	1.8
121.06506	21.2
121.10128	2.7
122.03636	2.2
123.04424	7.7
123.08094	1.3
124.05222	4.6
125.05980	3.8
127.03945	2.1
128.06212	9.8
129.07007	26.0
130.04149	1.0
131.04932	11.9
131.08568	12.5
132.05699	1.5
133.02840	2.7
133.06520	4.8
133.10112	3.1
134.03670	1.4
135.04424	2.8
135.08061	7.4
135.11664	1.6
136.05231	1.2
137.02281	1.0
137.04993	2.0
137.05975	22.3
138.03131	1.6
138.06721	1.0
139.03922	1.6
139.07487	2.1
140.04657	2.2
141.06960	1.7
143.04929	3.1
143.08527	1.6
144.05737	2.8
145.06471	7.5
145.10194	1.7
146.03668	2.5
146.07240	2.3
147.04401	5.9
147.08043	3.4
148.05173	3.4
149.05972	8.5
150.06776	3.0
151.03917	5.4
151.07545	22.3
152.04645	4.3
152.06166	1.6
153.01749	1.6
153.04317	1.5
153.05479	20.0
153.06801	1.7
154.06319	1.3
155.07024	2.4
155.08293	1.2
157.06499	23.4
159.08064	3.7
159.11684	2.8
160.05174	1.1
161.05983	36.4
161.09622	9.7
162.03342	1.1
162.06703	2.9
163.03893	2.2
163.07539	18.2
163.08801	1.6
165.05461	4.4
165.06998	8.4
165.09122	11.5
166.06279	11.5
166.07623	1.6
167.07056	97.5
167.08553	7.0
169.06458	1.4
169.10110	1.8
171.04414	1.4
171.06590	1.1
171.08028	2.5
172.05228	1.4
173.05992	3.6
174.06776	12.8
175.07567	13.1
176.08269	1.4
177.05435	3.2
177.07037	2.6
177.09108	8.7
178.07718	2.4
179.07022	4.9
179.08559	5.2
180.05713	1.1
180.07779	2.1
181.05148	14.1
181.06602	5.0
181.08597	100.0
182.07266	6.8
182.08760	1.5
183.07988	2.4
184.08774	1.1
185.09598	1.4
187.07516	3.8
189.09113	88.9
190.07793	1.9
191.07002	2.9
191.08612	3.2
191.10689	3.8
192.09312	1.5
193.06514	5.1
193.08568	3.1
193.10115	1.5
194.07277	4.1
195.06468	1.7
195.08067	12.8
195.10043	2.0
196.08809	2.0
197.05969	3.0
197.08102	1.4
197.09616	8.5
199.07552	2.4
201.05396	1.1
201.09163	1.9
203.10704	2.8
205.06509	2.9
205.08470	2.1
205.10237	1.9
206.07280	2.2
207.08070	5.5
207.10164	17.1
208.05168	2.1
208.08818	5.1
209.05933	3.4
209.07872	1.5
209.09746	2.6
210.06796	6.4
211.07640	6.9
211.11299	1.1
212.08284	3.6
213.09201	2.2
217.08673	1.8
218.07372	1.4
219.08151	7.6
219.10052	2.2
221.05998	6.3
221.09625	2.6
222.06763	4.0
223.07571	12.2
223.11156	3.7
224.08353	4.1
225.05469	4.1
225.09061	18.1
226.06180	2.5
226.09863	1.7
227.07054	7.9
227.10562	1.6
229.08588	1.7
229.12309	2.4
233.08008	7.5
235.07521	4.5
236.08304	4.3
237.05539	2.6
237.09048	5.7
237.18442	1.6
238.06152	2.4
239.07085	7.2
239.10651	2.7
240.07759	5.3
241.08614	8.6
242.09338	3.7
243.10135	1.6
247.07576	3.9
249.09053	2.7
250.06259	1.5
251.07034	7.7
251.10727	9.6
252.07776	3.3
253.04959	1.1
253.05649	1.2
253.08607	17.6
254.05693	1.4
254.09270	3.1
255.06612	6.9
255.10014	8.3
255.19717	1.9
256.11115	1.3
257.07980	2.4
257.11743	15.5
259.09634	3.4
261.09052	1.3
264.07788	1.6
265.08609	3.4
266.09320	1.7
267.06714	1.2
267.10101	4.3
268.07251	4.5
268.10703	1.8
269.08078	11.2
269.11215	1.6
270.08850	6.8
271.09546	2.7
271.13348	2.6
273.07632	1.1
273.12195	3.8
277.08475	1.7
279.10101	10.5
281.07971	2.1
282.08789	1.7
283.09647	18.1
283.13254	10.7
284.10434	3.4
285.07642	4.3
285.11200	34.5
286.08368	2.1
287.09222	2.4
289.05847	2.1
295.09647	3.0
296.10501	3.4
297.11203	6.8
299.09128	4.2
299.12830	7.5
300.09821	3.1
301.10635	2.9
301.14398	2.6
302.11584	8.5
303.05029	12.0
311.12735	15.0
313.10699	2.7
315.12250	25.0
316.12988	5.9
317.13806	28.6
326.11548	1.6
327.12247	1.2
328.12949	3.3
329.13824	10.8
331.15417	7.2
342.14612	2.2
343.15396	25.8
345.13504	1.2
346.14102	16.4
358.14047	1.5
359.14850	12.6
360.15668	76.0
361.16464	77.6
362.16724	1.3
403.17499	2.0
417.15372	4.6
435.20660	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	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03960	7.4
55.01867	3.0
55.05272	1.6
55.05516	22.0
57.03446	11.6
57.07051	2.1
65.03937	2.8
65.57236	1.3
67.05511	86.8
69.07078	20.3
71.01349	5.4
71.04989	4.8
72.28138	1.4
79.05502	67.4
81.03434	8.1
81.07065	36.7
83.04996	15.2
83.08625	6.7
85.02915	1.9
85.06563	4.0
91.05489	38.2
93.07055	77.6
95.04990	9.3
95.08611	15.5
97.06544	18.6
97.10176	11.0
98.97598	3.1
99.08090	2.6
105.04504	2.0
105.07043	14.4
107.04959	4.8
107.08606	46.5
109.06516	5.0
109.10168	21.1
111.08094	2.6
116.05633	1.4
116.98594	1.8
117.07040	6.9
119.08601	16.8
121.06499	3.6
121.10153	13.0
123.11747	2.0
125.09637	3.4
129.06934	2.1
130.07803	1.4
131.08600	2.4
133.10132	8.1
135.08069	3.7
135.11707	78.8
137.09648	2.8
141.29529	1.3
143.08569	3.8
145.10124	16.5
147.08034	3.6
147.11676	4.1
147.99207	1.6
153.11682	1.5
153.12782	5.0
159.11707	2.0
161.09610	1.5
161.13329	2.0
163.11215	12.7
171.11702	3.4
173.11800	1.8
173.13213	1.3
181.12247	19.1
197.13301	2.0
199.13348	5.4
207.13785	4.0
255.15955	1.5
303.05121	3.4
343.22540	3.0
361.23581	1.8
417.26154	3.4
432.01074	1.4
435.27487	100.0
435.32236	3.9
436.27719	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	435.3261
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
50.64343	0.5
53.03949	0.6
55.05521	3.1
57.03426	0.5
57.07066	1.9
58.28637	0.6
60.69474	0.5
65.03933	0.6
65.19308	0.6
67.05508	5.0
69.07080	4.6
71.72347	0.5
77.33887	0.5
79.05499	3.7
81.07069	8.9
83.08646	2.7
85.06567	0.5
91.05482	4.5
91.89004	0.5
93.07055	7.9
95.04980	1.5
95.08615	8.5
97.06536	0.6
97.10165	1.3
105.07035	9.0
107.04916	0.7
107.08606	11.9
109.06508	0.7
109.10165	4.7
117.07015	2.3
119.07802	1.0
119.08598	13.6
121.10153	9.2
123.08100	0.6
123.11720	2.6
125.09631	0.6
127.93559	0.5
128.06238	0.6
129.07021	1.4
131.08562	6.0
133.10146	8.3
135.11720	4.1
137.13313	1.7
142.07817	1.2
143.08603	3.9
144.09232	0.6
145.10138	10.7
147.11702	8.8
149.13271	7.5
151.07547	0.8
153.09177	0.7
155.08556	1.2
156.09380	0.7
157.10143	5.9
157.69197	0.5
158.10974	0.6
159.11722	8.3
160.12511	0.5
161.13254	4.8
163.14894	2.7
169.10162	2.1
171.11710	4.8
173.13277	3.9
175.14845	7.2
177.16420	3.4
181.10077	0.8
183.11716	2.0
185.13303	2.3
187.14799	4.5
189.16409	15.8
191.17894	1.2
193.12294	0.6
197.13315	1.7
199.14841	5.6
201.16408	19.3
203.17981	4.5
205.12241	0.7
207.11780	0.6
209.13266	0.8
213.16412	4.5
215.17981	3.1
221.15251	0.7
223.14902	0.6
225.16370	1.2
227.17969	2.7
229.15628	0.6
229.19476	1.3
239.18028	2.1
241.19424	3.1
245.15369	1.0
247.16946	0.7
251.18268	0.7
253.19580	3.5
259.17041	0.9
265.19534	0.8
266.99258	0.5
267.20993	0.8
279.21127	1.0
285.18604	0.6
287.20200	0.6
293.22781	0.7
299.20160	1.6
303.05054	0.8
311.20157	0.8
319.24158	0.6
325.21649	0.9
333.25858	1.5
343.22739	1.5
347.27509	1.7
351.22983	0.7
361.23877	0.6
379.26486	1.4
389.32037	8.1
392.27145	0.7
393.27985	0.9
417.26480	1.2
417.31808	0.8
435.27704	5.1
435.32663	100.0
436.32956	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01884	1.2
55.05520	18.3
57.03455	1.6
61.02939	1.5
65.03966	1.1
67.05510	1.6
69.03432	7.1
69.27891	1.2
69.28234	9.5
71.05003	9.4
73.02915	1.2
81.03452	6.0
82.61157	0.9
83.08628	100.0
85.02915	25.7
85.06554	2.7
87.00832	14.4
91.76582	1.1
93.07047	3.4
97.02907	8.7
99.04485	2.0
100.11244	1.5
105.01879	41.3
105.02582	2.2
107.08607	3.1
109.02876	4.3
127.03931	18.4
135.11708	3.0
144.04468	2.3
145.04964	10.3
159.02951	2.1
162.05530	14.6
167.07080	2.3
168.07379	1.8
181.05011	4.9
182.05338	3.3
190.05002	12.8
213.04062	1.0
231.05037	10.4
233.08173	1.5
234.08473	2.0
249.06084	23.1
274.11484	1.3
284.09854	3.1
316.08170	5.2
330.83267	1.1
334.09091	2.1
388.14484	1.6
404.06473	1.2
418.15692	2.1
436.16116	1.9
436.33560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67777	0.9
53.03942	1.8
54.16455	0.9
55.01873	6.3
55.05510	18.4
57.03413	4.1
57.07053	2.7
59.05002	5.0
60.23869	1.1
65.03922	3.1
67.05504	100.0
69.03409	2.3
69.07079	5.8
69.23814	9.1
71.04980	5.6
79.05496	18.0
81.03415	6.9
81.06596	1.9
81.07054	31.1
83.01349	4.6
83.04989	9.9
83.08234	1.1
83.08618	12.0
85.02879	3.4
85.06530	3.1
91.05482	19.1
93.06500	1.4
93.07048	21.2
95.04967	6.5
95.08082	0.9
95.08615	14.6
97.02895	1.8
97.06512	3.7
97.10137	2.5
98.21527	2.1
98.43848	1.0
99.04433	1.8
105.07024	10.4
107.04959	5.5
107.07968	1.2
107.08592	14.3
109.06506	4.9
109.10157	68.9
111.04440	1.3
111.08045	4.0
117.06988	7.5
119.08582	12.7
120.64297	0.8
121.06516	2.1
121.10172	7.4
123.08043	5.9
123.11694	1.1
125.05993	1.7
125.09605	2.3
131.08513	3.2
133.10155	5.5
135.08046	2.6
135.11700	7.3
137.09628	6.1
143.08566	1.7
145.10120	12.1
147.08058	2.0
147.11664	3.3
149.13211	1.0
153.12697	4.0
155.10666	5.2
157.10143	1.6
159.11690	3.1
161.13220	2.0
163.09866	1.3
163.11182	18.3
171.11716	1.3
173.09555	2.6
173.11754	21.4
173.13196	2.1
175.14819	2.4
181.12177	4.0
185.13271	1.7
187.14763	2.1
189.16293	1.6
191.10571	3.0
193.14346	1.0
199.14835	1.6
201.16414	2.4
203.17929	1.7
209.11778	6.4
227.12752	4.7
229.07544	1.5
231.66454	1.1
241.19514	1.4
359.57104	1.0
393.95868	1.1
419.28879	1.3
419.33588	1.5
437.19275	11.1
437.25168	75.2
437.30301	4.9
437.35562	4.7
446.91342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
54.24018	0.8
55.01881	5.5
55.05265	1.6
55.05513	19.5
56.96554	1.7
57.03433	4.4
57.07069	2.1
59.05013	7.0
60.93931	0.9
61.02934	1.0
65.03946	2.7
67.05507	100.0
69.03419	2.0
69.07080	7.0
71.05005	5.3
71.54602	1.0
78.60706	0.8
79.05500	18.0
79.32378	0.8
81.03429	9.1
81.07063	27.3
83.01350	5.1
83.04984	9.1
83.08618	10.2
84.25408	0.8
85.02921	3.0
85.06550	4.0
91.05481	18.5
93.07044	23.6
95.04986	6.0
95.08608	10.6
97.02911	2.1
97.06526	2.9
97.10149	2.1
98.97583	0.9
99.04465	1.5
99.08104	1.3
105.07039	10.6
107.04964	6.2
107.08607	12.8
109.06516	5.1
109.10162	68.8
111.04448	1.4
111.08118	4.6
117.07034	7.3
119.08594	12.3
121.06509	3.4
121.10126	8.5
123.08079	4.2
123.11696	1.3
125.05994	1.6
125.09634	1.8
127.11250	1.0
129.07011	1.7
130.07811	1.2
131.08578	3.7
133.10097	4.2
135.11700	7.9
137.09651	4.4
139.07671	0.9
143.08563	1.6
145.06494	1.4
145.10127	11.5
147.08015	1.0
147.11710	1.8
149.09607	1.0
149.13255	1.4
153.12730	3.2
155.08554	1.6
155.10663	6.4
157.10100	1.1
159.11736	2.0
160.61407	0.8
163.11192	19.9
165.09117	0.9
171.11659	2.0
173.09615	2.2
173.11755	20.2
173.13152	1.1
175.11180	1.0
181.12257	2.9
185.13361	1.0
189.16359	1.0
191.10695	3.2
201.16562	1.2
209.11711	7.2
213.16309	1.4
220.93964	0.8
227.12805	3.9
281.10724	1.1
282.10797	1.1
322.61990	1.0
323.11826	1.4
419.33286	1.2
437.25354	62.5
437.30051	2.7
437.34683	1.9
438.25885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58401	1.0
51.19385	0.9
53.03948	2.1
54.77969	1.0
55.05516	10.6
57.07085	5.5
65.03943	1.4
67.05509	23.9
69.07076	21.1
70.01811	3.8
71.08620	1.5
73.77864	0.9
79.05499	10.5
81.07061	49.2
83.08624	9.4
84.18862	1.1
91.05484	12.8
93.07050	26.9
95.04956	2.4
95.08612	84.1
97.10159	4.3
105.07035	27.1
107.08605	37.5
109.06470	1.9
109.10165	33.5
111.08092	2.1
111.11703	2.3
117.07014	4.6
119.08588	49.6
121.06474	1.3
121.09315	2.1
121.10143	24.6
123.08045	2.2
123.11706	23.4
129.07060	2.3
131.08571	14.4
133.10127	29.8
135.11703	18.0
137.13245	14.6
141.07111	1.1
143.08604	6.5
145.06375	1.1
145.10129	41.8
147.11691	27.5
149.13271	27.5
149.59598	1.2
151.14832	8.7
153.09126	1.8
155.08560	3.0
156.09349	1.8
157.10138	9.2
159.11693	19.7
161.09586	1.4
161.13274	22.1
163.11069	1.5
163.14844	13.2
169.10127	5.0
171.11717	18.1
173.11842	1.3
173.13266	18.0
175.14821	29.8
177.09134	2.3
177.16388	8.1
183.11685	4.1
185.13245	7.8
187.14835	10.9
189.16382	29.4
191.10674	1.4
191.17969	12.3
195.11717	1.8
197.13271	4.4
199.14806	6.8
201.16377	33.0
203.10713	1.2
203.17969	35.2
205.12270	1.2
209.13206	1.7
209.15259	1.5
211.14857	5.5
212.15457	1.1
213.16393	9.9
214.80533	1.2
215.17975	11.8
217.12270	1.7
217.19589	5.5
217.21352	1.2
219.17360	2.1
221.15395	2.3
223.14699	1.5
225.16422	5.5
227.17958	8.0
229.19548	8.2
235.16988	2.4
237.16345	2.0
239.17952	12.0
241.19536	27.1
243.21054	10.5
245.15306	1.8
247.16882	7.4
249.18428	1.8
253.19594	8.3
255.21115	6.7
259.16986	4.1
259.20557	3.0
265.19452	2.6
267.21115	6.2
269.22751	2.6
271.16873	2.7
273.18436	2.9
279.21036	1.5
281.22690	2.2
285.18506	11.4
287.20081	7.7
295.24170	5.1
299.20114	7.7
301.21594	5.1
307.24283	1.5
309.25555	1.4
313.21561	4.3
321.25757	1.5
327.22919	1.8
335.27280	4.9
349.28784	2.3
353.24597	2.7
381.27853	2.0
391.33594	27.3
394.28317	1.1
395.29346	2.0
419.33527	2.1
437.34540	100.0
438.34695	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05521	9.6
57.07087	4.9
67.05177	1.2
67.05512	18.9
69.06721	1.6
69.07074	21.1
71.08633	1.8
79.05490	9.1
80.18277	0.8
81.07066	45.9
83.08619	8.5
91.05485	11.1
93.07055	20.5
95.04988	1.1
95.08617	75.7
97.10174	3.5
98.21615	1.8
105.07037	22.0
105.28684	0.9
107.08604	31.4
109.06470	1.3
109.10163	28.5
111.11762	1.5
117.07030	3.9
119.08592	33.6
121.10152	22.3
123.08197	0.8
123.11720	16.3
125.09697	0.8
128.06255	1.6
129.07018	2.5
131.08580	12.4
133.10135	19.7
133.11082	1.2
135.11714	13.5
137.13278	12.7
139.07529	1.0
142.07825	1.3
143.08601	4.7
145.10143	28.5
146.08977	0.9
147.08043	1.1
147.11696	15.7
149.13274	22.6
151.11211	0.9
151.14825	8.3
155.08615	3.0
156.09340	2.0
157.10152	7.7
158.10944	1.1
159.11693	14.9
161.09596	0.8
161.13275	12.6
163.07550	1.2
163.14825	11.1
163.61104	0.9
164.12239	0.9
169.10150	4.4
171.11699	12.4
173.13312	13.8
175.14842	22.7
177.09213	2.3
177.16403	6.6
179.17966	1.4
183.11697	5.4
185.13240	7.3
187.14835	8.4
189.16414	15.7
191.17981	10.1
193.16037	1.3
195.11780	1.5
197.13271	4.1
198.14011	1.3
199.11128	1.0
199.14836	7.6
201.16403	22.0
203.17969	16.0
205.19650	1.4
209.13417	1.5
209.15257	1.0
211.14885	4.3
213.16379	8.5
215.14395	0.9
215.18001	9.5
217.12363	1.6
217.15974	1.2
217.19612	3.3
219.13776	1.1
221.15358	2.2
223.14795	1.8
225.16434	4.2
227.17984	5.3
229.19563	5.2
231.13918	1.4
235.16994	1.5
237.16559	1.4
238.17490	1.0
239.18011	8.7
241.19547	21.1
243.21074	7.5
245.15442	2.1
247.16910	4.1
253.19528	7.7
255.21143	5.6
257.18909	0.9
259.16974	3.1
259.20636	3.2
265.19604	2.4
267.21075	5.3
269.22858	1.9
271.16956	1.9
273.18558	2.6
279.21173	1.6
281.22766	3.0
285.18549	12.4
287.20050	8.7
293.22531	1.4
295.24313	3.2
299.20090	5.6
301.21722	3.3
307.24249	2.1
311.20135	1.2
313.21661	3.5
315.23038	1.0
321.25815	1.8
335.27350	5.8
339.23279	1.3
349.28946	1.6
353.24777	1.9
360.78107	1.0
367.26196	1.3
381.28000	2.1
391.33578	23.0
419.33255	3.3
437.34265	100.0
438.34680	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	437.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.8
55.05511	7.5
57.07070	3.7
58.10121	0.8
62.73790	0.9
67.05172	1.3
67.05508	14.1
69.07076	16.8
69.45226	6.8
71.08624	1.1
79.05501	6.3
81.06585	1.7
81.07065	38.3
83.08611	6.2
91.05476	8.1
93.07059	16.5
95.08618	69.2
97.10159	3.8
98.20745	1.1
100.99692	0.9
105.04543	0.8
105.06389	1.6
105.07043	21.5
107.08606	24.8
109.10172	24.7
117.07021	3.8
119.08590	35.9
121.10163	20.5
123.11725	14.6
128.06155	1.5
129.06995	2.6
131.08578	10.9
133.10141	30.6
135.11705	13.1
137.09578	1.0
137.13287	10.8
139.07448	1.1
141.07054	1.0
143.08612	5.0
144.31313	1.0
145.10136	26.2
147.11700	19.0
149.13275	12.4
151.14828	6.7
153.09100	1.0
155.08566	1.3
157.10147	9.1
159.11700	14.6
160.12439	1.7
161.13248	15.2
163.14824	8.5
169.10152	3.5
171.11700	10.9
173.13289	13.9
173.34445	0.9
175.14857	22.4
177.16415	5.9
179.10786	1.4
179.17998	1.6
183.11711	3.5
185.13226	7.0
186.14052	1.0
187.14890	4.7
189.16399	20.9
191.17967	13.9
193.15889	1.2
195.11745	1.2
197.13297	3.1
199.14865	8.3
201.16397	33.6
201.18277	1.9
203.17979	35.6
205.19554	1.1
209.13211	1.6
211.14891	3.6
212.15660	1.1
213.12886	0.8
213.16420	9.1
215.18008	8.1
217.19623	4.2
219.17503	2.3
221.15312	1.1
223.14859	1.3
225.16415	4.2
227.17969	3.8
229.19579	4.6
231.13951	0.9
231.17577	1.4
233.15536	1.3
235.16934	1.7
237.16399	1.2
239.17990	8.5
240.18663	1.2
241.19533	18.1
243.21136	12.0
245.15375	1.4
247.16977	7.4
253.19557	6.2
255.21140	5.8
257.15567	1.2
257.18991	1.0
259.17001	4.2
259.20627	2.4
261.18448	1.7
265.19540	2.0
267.21179	5.1
269.22733	2.5
271.17001	2.3
273.18555	1.6
279.21127	1.4
281.22699	3.2
285.18539	11.1
287.20193	3.7
289.21484	0.8
293.22595	1.6
295.24127	3.2
299.20068	6.7
301.21643	1.8
307.24188	2.7
309.25800	1.0
313.21646	4.1
315.23029	1.2
321.25894	1.3
335.27377	5.1
339.23138	1.0
353.24814	1.3
367.26416	1.2
391.33643	21.1
419.33112	3.0
437.34216	100.0
438.34454	2.4
444.31680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
56.16890	0.9
57.07072	3.5
57.48804	1.1
58.39947	0.9
67.05502	11.5
69.07069	12.5
69.52287	1.8
69.52695	4.7
71.08628	1.0
79.05509	5.0
81.07059	28.3
83.08634	6.2
89.06042	2.0
91.05466	6.2
93.07058	13.4
95.08610	48.1
97.10169	2.5
98.98515	1.4
105.07039	17.3
107.08591	18.6
109.06485	1.0
109.10160	19.9
117.07040	3.1
119.08576	27.5
121.10143	16.6
123.07996	1.1
123.11716	13.5
131.08572	6.9
133.08603	1.7
133.10129	22.4
135.08098	1.0
135.11673	9.6
137.13257	7.1
143.08514	4.6
145.10121	19.5
146.39899	1.0
147.11697	14.1
149.13264	8.8
151.14819	7.6
155.08583	1.6
156.09161	0.9
157.10126	5.1
159.11693	11.0
160.12552	1.5
161.13284	10.5
163.14818	8.2
169.10127	1.9
171.11696	8.4
173.13257	10.2
175.14818	14.2
177.09120	1.0
177.16418	5.6
179.10605	1.1
179.18124	1.1
183.11700	4.1
185.13177	4.9
187.14806	6.2
189.16388	15.7
191.17955	9.7
197.13219	2.2
199.14799	7.5
201.16377	23.4
203.17958	28.5
209.13345	2.0
211.14822	2.4
212.15666	1.1
213.16397	6.6
215.17970	6.7
217.15918	1.0
217.19592	3.2
219.17543	2.3
221.15320	2.2
225.16406	3.6
227.18057	3.1
229.19565	3.5
235.16948	2.5
239.15466	0.8
239.17891	5.2
241.19528	13.2
243.21086	8.7
245.15457	1.5
247.16940	7.6
249.18655	1.3
253.19565	3.1
255.21031	5.2
259.16992	2.2
259.20624	2.0
261.18423	1.1
265.19540	1.2
267.21069	3.5
273.18472	1.6
279.21066	1.6
281.22403	1.2
285.18454	7.9
287.20142	3.4
295.24185	2.3
299.20001	4.5
301.21756	1.7
307.24237	1.4
313.21805	2.6
335.27341	3.5
339.29092	1.2
353.24631	1.9
391.33658	14.7
419.33029	3.3
437.34204	100.0
438.34674	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	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22700	0.6
52.94084	0.7
53.03941	0.7
54.64462	0.6
55.05498	2.0
57.03411	0.8
59.05008	0.7
67.05488	1.0
69.03429	1.6
69.07085	0.7
71.04960	0.8
71.54472	0.8
72.08143	2.8
73.06502	0.8
74.00677	0.9
79.05478	0.8
81.03365	0.7
81.07051	2.8
83.04983	29.6
85.02433	1.0
85.02908	13.3
85.06534	2.1
91.05479	3.1
93.07027	1.1
95.04968	1.0
95.08610	3.0
95.68900	0.7
97.02863	1.1
97.06514	1.6
98.97578	1.1
99.04461	1.0
99.08090	0.9
105.07014	1.0
107.08585	0.8
109.02898	1.4
109.10128	0.9
112.11253	1.3
117.18947	0.7
119.04942	4.1
121.02889	1.1
121.10205	1.1
123.08073	1.9
125.05983	2.9
127.03918	0.8
129.13881	0.9
133.06474	1.0
137.05994	0.8
137.09592	0.8
137.13254	2.1
138.09145	5.4
139.11182	100.0
141.09097	8.9
147.03223	1.4
147.04407	29.2
153.01816	2.8
153.12758	1.2
156.10187	1.3
166.08635	11.7
167.07077	1.4
171.60034	0.7
181.12218	9.1
181.44307	0.7
184.09735	1.2
193.08636	2.5
199.13297	14.2
204.10220	11.7
206.14650	0.8
209.08052	1.2
211.09608	5.0
218.12030	0.9
222.37039	0.7
223.13318	6.9
241.14360	51.6
254.04849	2.9
275.17642	1.0
292.20227	3.0
337.97162	0.7
363.88812	0.7
438.19263	0.8
438.23947	19.6
439.15488	1.1
452.81161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2387
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
51.15809	0.3
55.05506	0.4
57.03423	0.2
58.06586	0.8
59.17440	0.2
59.90423	0.2
61.02921	0.4
62.02609	0.3
65.03925	1.2
67.05503	0.4
67.92794	0.2
69.03429	0.8
69.36688	0.2
69.82498	0.5
69.82915	0.9
71.04955	0.3
72.08159	5.6
73.87241	0.2
74.00658	0.4
75.09206	0.2
79.05492	0.5
79.05945	0.2
81.03444	0.6
81.07034	0.7
83.04978	0.6
84.08125	0.3
85.02914	1.4
85.06502	0.5
85.38284	0.2
91.04968	0.4
91.05483	5.4
93.07034	0.4
95.04953	0.2
95.08595	0.5
97.02885	0.6
97.06498	0.3
98.21511	0.3
105.06974	0.4
106.02908	1.2
107.08540	0.4
109.02864	0.5
109.10131	0.4
111.04447	7.2
112.11243	2.8
114.72202	0.3
115.87737	0.3
119.04951	18.2
121.04065	0.4
123.08080	1.7
124.03956	5.8
127.03917	0.5
129.13899	1.5
130.34746	0.2
139.03912	3.2
141.09087	0.4
141.21999	0.2
143.29581	0.2
145.04962	0.3
146.16522	0.9
147.04413	100.0
148.04744	0.7
154.82863	0.3
155.11806	0.9
157.04982	0.3
165.09113	0.3
167.07054	0.9
168.07565	0.3
171.06531	11.6
172.14519	0.3
181.12384	0.3
193.08612	0.3
203.11789	1.1
204.10210	44.5
205.10460	0.3
218.11766	5.2
221.12865	0.6
223.13422	0.5
226.07144	0.5
235.14331	0.3
241.14366	0.6
250.07118	1.1
266.06525	0.3
268.08167	5.0
274.19156	0.6
275.17529	3.6
292.20212	8.3
303.05197	0.4
420.23056	0.6
421.21252	1.4
438.23911	69.4
439.24243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01328	0.4
55.05515	1.5
56.96573	1.1
57.03434	0.8
57.07078	5.8
58.06594	1.4
65.03950	1.6
65.18140	0.4
65.25936	0.4
67.05508	4.2
68.05862	0.9
69.03439	0.6
69.07059	0.8
70.06599	13.4
71.08633	1.5
71.54774	0.6
73.02927	0.6
74.06081	0.4
76.99978	0.4
79.05503	1.6
81.03416	0.9
81.07056	3.3
83.04950	0.7
83.08598	0.5
85.02903	0.6
85.10196	1.0
88.05721	0.4
88.07088	1.0
88.07638	17.1
91.03954	0.5
91.05462	1.3
91.55923	0.4
93.07065	1.9
94.07400	0.7
95.08627	1.8
96.08937	0.5
97.02914	0.9
97.06539	0.5
98.97633	0.5
102.09188	12.2
105.07068	0.8
107.08601	1.6
109.10155	2.9
110.10509	1.2
117.13889	0.4
119.08610	1.2
121.02867	1.1
121.10131	0.7
132.10204	0.9
133.10193	0.5
139.03947	0.8
145.10112	0.5
146.11749	0.7
147.11754	0.7
149.02353	45.2
149.03316	2.6
159.11736	0.6
163.11235	0.6
165.09174	0.4
173.11775	0.6
184.20645	0.5
193.04976	48.8
194.05504	0.7
213.08005	0.8
222.20903	0.5
227.12805	0.8
228.23242	42.3
229.23557	0.6
231.56686	0.4
235.09079	0.5
237.07587	53.1
267.09244	0.5
269.10706	1.5
272.25885	2.5
302.12012	0.4
316.11801	1.2
324.11487	0.6
337.81339	0.5
374.16751	0.6
438.28638	100.0
439.28671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
62.04351	0.4
67.05503	0.6
67.27652	0.3
70.83288	0.8
71.05013	0.4
73.02910	0.4
83.00356	0.3
85.02898	0.9
105.07029	0.5
106.06586	0.7
106.10280	0.3
109.02917	0.8
109.10168	0.7
119.08543	0.4
124.07637	0.4
137.05927	0.3
140.07051	0.4
141.29518	0.3
151.04041	0.4
159.04192	4.2
173.44794	0.3
241.83630	0.4
259.14731	0.4
277.07190	0.5
277.15359	1.0
293.10004	4.3
307.11508	0.9
321.13174	0.5
335.11029	2.0
350.13394	9.3
351.13968	2.8
439.15790	100.0
440.16129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01872	1.8
55.05511	16.0
57.03436	7.3
57.07067	1.9
59.05004	4.1
65.03948	2.9
67.05505	100.0
69.03424	2.7
69.07071	5.5
71.04986	6.2
71.53872	0.8
74.79292	0.6
77.03957	0.6
79.05496	13.0
81.03418	33.7
81.07057	25.7
83.04979	6.1
83.08619	18.3
83.09116	0.9
85.02902	18.2
85.06546	4.0
87.04469	0.6
88.95911	0.6
91.05484	21.6
93.07045	13.3
95.04968	13.2
95.05561	0.8
95.08604	12.7
97.02878	1.6
97.06520	2.6
97.10168	2.2
99.04410	0.6
99.08101	1.0
99.14661	0.5
105.07036	14.5
107.04961	2.9
107.08588	8.2
109.06546	3.3
109.10155	67.7
111.04462	1.4
111.08089	8.7
113.05997	2.6
115.05451	1.1
116.40763	0.6
117.07034	1.8
119.08578	16.5
121.06533	1.4
121.10155	6.5
123.08056	1.5
123.11750	1.8
125.06051	0.6
125.09644	1.8
129.06995	6.1
131.08559	5.9
133.06496	2.1
133.10132	6.7
135.08041	0.6
135.11716	2.2
137.09595	5.9
142.07773	1.3
145.10150	2.3
147.08054	2.2
147.11685	8.4
149.09627	3.1
155.10655	6.8
157.10136	7.9
159.11678	1.2
161.09657	1.2
161.13193	0.7
165.09171	1.0
165.12785	1.4
171.11732	0.7
173.11746	19.5
173.13152	1.1
175.11186	9.7
175.14854	1.1
177.12680	0.5
183.11816	0.6
184.42761	0.5
185.13281	0.6
186.77907	0.5
187.14806	1.1
189.12781	0.6
189.16402	1.0
191.18030	0.7
193.12234	35.3
199.14836	0.8
203.14394	0.6
203.17978	0.8
211.13287	44.8
212.13690	0.8
213.16393	0.9
217.15959	0.6
229.14316	3.7
249.14980	0.9
255.21468	0.5
267.15793	3.2
277.21637	1.8
285.16959	1.0
288.88184	0.6
329.21158	1.2
421.26022	3.0
439.26923	97.0
439.36053	4.3
440.27353	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01878	2.0
55.05514	12.5
57.03444	5.6
57.07080	1.4
59.04994	3.2
63.91876	0.9
65.03932	2.0
67.05508	77.4
69.03415	1.8
69.07063	7.4
70.10287	3.1
71.04998	5.5
73.02908	0.8
79.05502	11.0
81.03416	22.6
81.07061	25.9
83.04991	4.7
83.08616	13.0
85.02913	12.4
85.06535	3.8
91.05485	21.0
91.76077	1.1
93.07050	14.4
95.04973	8.6
95.08057	1.3
95.08611	15.7
97.02882	1.6
97.06519	2.8
97.10162	2.6
97.70583	0.9
98.97575	0.8
105.06396	1.6
105.07035	20.3
106.68448	0.8
107.04958	2.5
107.08598	14.6
109.06518	2.9
109.10159	54.1
111.04504	1.0
111.08080	6.6
113.06047	1.3
117.07020	2.4
117.59576	0.9
119.08592	23.1
121.10149	9.0
123.08057	2.7
123.11736	5.4
125.09603	2.3
129.07004	5.5
131.08569	9.0
133.06438	1.2
133.10138	16.9
135.08040	1.4
135.11702	15.4
137.09601	3.5
137.13274	1.3
139.11179	1.1
142.07780	1.9
143.08583	2.8
145.10106	6.4
147.08092	1.2
147.11691	14.9
149.09637	3.1
149.13272	3.0
151.11162	1.9
155.10678	3.0
156.09358	2.3
157.10127	9.0
159.11722	3.4
161.09596	0.8
161.13272	4.3
163.11247	1.1
163.14822	4.5
165.12772	2.0
169.10138	1.4
171.11685	8.3
173.09650	1.4
173.11745	12.9
173.13251	3.5
175.11189	5.7
175.14790	2.1
177.16447	1.3
183.11653	1.8
185.13234	1.8
187.14813	3.9
189.12772	2.6
189.16394	29.3
191.17923	1.2
193.12254	21.2
197.13373	1.5
199.11160	3.1
199.14813	1.6
201.16440	2.0
202.09900	2.4
203.14291	1.3
203.17929	1.7
207.17445	45.9
211.13287	28.8
213.16495	1.2
217.12247	100.0
225.16315	0.9
229.14389	2.5
233.15367	3.0
245.15366	1.4
253.19601	0.9
267.15869	5.2
289.01019	0.9
299.19946	1.1
358.16843	1.0
373.63150	0.9
403.29935	1.4
418.20978	1.1
421.25739	3.0
421.30945	4.3
421.35593	1.3
439.19632	2.5
439.26834	60.4
439.32178	22.5
440.27057	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01857	1.4
55.05517	15.8
56.96579	1.6
57.03450	6.4
57.07068	3.2
59.05000	4.7
65.03941	2.9
67.05511	100.0
69.03421	4.0
69.07076	16.0
69.31823	10.3
69.32239	3.1
71.04991	6.1
75.57516	1.2
79.05501	21.3
79.64032	1.2
81.02986	2.1
81.03424	26.8
81.07063	45.3
83.04980	6.5
83.08620	20.5
85.02921	18.4
85.06549	4.5
91.05486	26.2
93.07051	27.5
95.04986	16.7
95.08618	40.2
95.09240	2.0
97.02892	1.8
97.06531	3.7
97.10170	4.0
98.20792	3.0
99.08099	2.4
105.07038	28.5
107.04983	3.6
107.08604	27.1
109.06526	4.8
109.10166	75.0
110.66376	1.4
111.04453	1.6
111.08100	8.5
117.07021	4.9
119.08591	37.2
121.06535	2.1
121.10156	23.0
123.08073	4.8
123.11715	8.1
125.09644	3.5
129.07022	6.0
131.08563	14.5
133.06468	2.5
133.10144	22.5
135.08060	2.2
135.11703	14.2
137.09613	5.3
137.13263	4.2
143.08569	5.0
145.10129	9.8
147.08064	3.4
147.11703	19.8
149.09637	3.9
149.13266	8.1
151.19565	1.4
155.08578	1.7
155.10710	4.2
157.10133	12.9
159.10597	1.2
159.11665	7.7
160.74774	1.3
161.09630	3.2
161.13281	9.6
163.11154	2.6
163.14824	6.0
165.09186	2.1
165.12778	2.8
169.10107	2.6
171.11728	5.5
173.11751	17.0
173.13280	7.1
175.11191	10.2
175.14859	11.1
177.12685	1.5
177.16399	4.9
179.14320	4.5
183.11780	5.1
185.13225	2.6
187.14764	9.8
189.12712	2.5
189.16409	16.3
191.14413	1.9
191.17986	13.8
193.12277	29.0
193.15932	2.1
197.13326	1.7
199.14865	2.8
201.16400	7.2
203.14346	5.2
203.17920	12.5
205.15941	2.9
205.19606	2.1
207.17519	3.3
211.13300	35.2
211.15210	1.8
213.16368	5.2
215.18040	5.1
217.15932	3.1
217.19548	5.8
219.13733	1.8
219.17462	2.2
225.16460	1.7
227.17854	3.3
229.14343	2.9
229.19563	3.3
231.17441	5.0
231.21391	1.5
235.17017	2.1
237.02980	1.8
241.19727	1.7
243.21153	1.8
249.18593	5.0
251.17957	1.7
255.21094	3.1
267.16003	2.8
269.18982	1.5
271.20596	2.3
285.22162	1.7
287.23605	1.8
393.31381	2.3
409.34619	1.7
418.75964	1.3
421.25845	2.8
421.35022	12.4
439.26904	80.7
439.35699	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	439.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	1.0
53.40214	0.6
55.01892	1.3
55.05520	3.3
57.03465	1.2
57.07101	1.4
62.85342	0.6
65.78896	0.6
67.05519	7.2
67.05830	0.6
69.03459	2.7
69.07071	6.1
71.05027	0.9
79.05499	6.3
81.03457	1.3
81.07063	12.4
83.05016	2.1
83.08635	3.2
85.02939	2.2
85.06570	1.7
91.05487	7.1
93.07057	12.8
93.07613	0.8
95.05011	1.8
95.08615	17.7
95.09148	1.2
97.06592	2.3
97.10212	0.8
98.97611	1.1
105.07041	19.0
107.08604	19.6
107.09291	1.2
109.02943	0.7
109.06547	2.3
109.10162	14.3
111.04519	0.8
111.08108	1.7
113.09638	0.8
117.07079	1.4
117.89144	0.7
119.08599	20.0
120.77398	0.6
121.06553	2.8
121.10153	11.1
123.04449	0.9
123.08110	2.8
123.11700	4.9
125.09718	1.4
127.11221	0.9
128.06248	1.0
129.07053	1.1
131.04997	0.8
131.08582	10.1
133.06526	1.1
133.10144	18.8
133.11084	1.2
135.08086	2.5
135.11708	22.9
135.12723	1.3
137.05997	1.0
137.09673	2.8
137.13275	1.3
141.06984	0.8
142.07797	2.2
143.08548	6.1
144.09399	0.7
145.10143	9.7
147.04567	0.7
147.08118	2.6
147.11700	14.0
147.12793	1.0
149.09645	2.3
149.13255	6.5
151.07585	1.1
151.11217	2.2
155.08690	1.0
156.09363	4.6
157.10179	4.8
158.10735	0.9
159.08076	6.8
159.11723	5.8
161.09685	1.8
161.13290	5.8
163.11188	1.3
163.14853	4.9
165.09171	4.7
165.12866	1.0
169.10161	1.6
170.10963	1.3
171.11707	15.0
173.09666	2.0
173.13251	5.9
175.07541	0.7
175.11229	2.6
175.14761	3.5
177.12766	1.6
177.16411	1.1
181.10161	0.8
183.11725	2.4
184.08971	1.2
185.09586	1.1
185.13307	3.1
187.11267	1.3
187.14877	3.4
189.09059	1.0
189.12854	5.3
189.16405	36.7
191.14366	2.7
191.17961	10.7
193.12256	1.4
195.11641	1.7
196.12436	0.8
197.13229	0.8
197.46330	0.7
197.86440	0.7
199.11183	8.8
199.14816	2.2
201.12784	1.0
201.16428	2.8
202.09979	2.0
203.14307	3.4
203.18042	3.1
205.15936	1.4
205.19521	1.4
207.17462	52.1
209.13272	1.4
211.13113	1.1
211.14896	1.0
213.12778	5.6
213.16428	3.2
215.14349	1.4
215.17999	1.3
217.12260	100.0
217.19489	1.6
218.12524	0.9
219.17435	0.9
223.11282	0.9
225.16396	0.8
227.14407	1.4
227.17931	1.3
231.13799	1.9
231.17505	2.3
233.15424	2.5
235.16888	1.3
239.17990	1.1
241.15880	1.0
241.19469	1.0
245.15341	1.4
249.18539	3.1
251.17862	0.8
259.17017	1.1
259.20334	0.6
267.17355	1.3
269.18967	1.2
271.20801	0.7
287.20135	1.4
299.20105	1.3
337.62381	0.6
393.31467	1.1
403.29642	1.2
421.30621	6.1
421.35788	0.9
439.22415	2.5
439.31799	62.0
440.32062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.80951	2.0
55.05514	6.7
57.07072	2.4
67.05496	9.0
69.07066	9.5
70.64557	2.0
79.05496	6.5
81.07065	24.6
83.08620	6.6
89.06031	9.3
90.06318	2.8
90.93694	2.0
91.05482	6.5
93.07058	15.7
95.08610	37.9
95.09180	3.5
96.39581	2.2
97.06519	2.3
105.07053	15.1
107.08611	22.7
109.10152	25.0
109.63321	2.3
112.15937	2.3
117.07027	3.3
119.08583	26.7
121.06605	2.7
121.10159	20.8
123.08065	4.0
123.11701	13.9
129.43469	2.0
131.08601	6.5
131.61528	2.1
133.08607	5.2
133.10132	21.7
135.11710	15.0
137.13281	4.6
143.08519	4.1
145.10095	13.6
147.11751	17.0
149.09657	3.2
149.13269	8.4
157.10161	6.9
159.11739	10.2
161.09644	4.0
161.13280	9.6
163.14812	2.8
165.12779	2.8
169.10144	2.8
171.11758	7.8
173.13336	9.7
175.14847	7.7
177.11151	2.7
177.16405	5.2
185.13283	3.4
187.14835	5.6
189.16379	13.1
191.18007	6.1
199.14839	6.2
201.16272	4.3
203.17958	7.2
207.17520	2.4
213.16563	3.6
215.17999	3.6
217.15823	10.8
217.19595	6.9
219.17505	4.7
233.18980	2.4
235.16890	14.4
239.15007	8.1
240.15320	5.1
285.22324	3.2
355.26163	3.5
403.33453	3.7
421.34647	20.3
439.35785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3575
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05509	6.7
55.56229	2.3
57.07072	3.6
62.75008	1.6
65.00158	1.8
67.05514	10.2
69.07086	17.3
69.66255	10.0
71.08617	2.0
79.05500	8.3
81.07065	28.6
83.08633	8.1
89.06044	8.0
89.50133	1.9
91.05478	6.8
93.07063	17.5
95.08623	42.2
97.06542	2.8
99.08106	3.3
105.07050	16.0
107.08605	22.6
109.06568	3.8
109.10169	24.4
111.11758	2.2
117.07045	4.0
119.08607	19.5
121.06607	2.9
121.10173	19.6
123.08090	3.2
123.11729	11.3
131.08568	5.0
133.08665	5.1
133.10139	13.9
135.08070	2.2
135.11714	17.4
136.54745	2.3
137.13229	10.4
143.08582	4.8
145.10107	10.3
147.11726	12.6
149.13338	11.3
157.10156	4.5
159.11754	8.0
161.13351	6.5
163.07616	2.1
163.11246	3.0
163.14891	6.3
171.11732	4.5
173.13315	8.5
175.11214	2.1
175.14803	5.2
176.57199	1.9
177.16461	3.5
183.11784	3.2
185.13330	4.4
187.14896	7.5
189.16431	8.9
191.18047	8.4
197.13211	2.2
199.14880	3.2
201.16487	8.6
203.18019	5.4
205.15953	4.7
213.16434	5.5
215.18028	2.6
217.15945	3.7
217.19762	2.5
219.17581	6.5
227.17979	2.4
235.16968	2.4
239.14938	6.9
240.15372	5.9
249.18944	2.1
255.20969	2.0
256.18301	2.2
257.22742	2.7
273.22089	3.1
283.20792	2.6
283.24545	2.7
301.21582	3.0
396.19946	2.2
403.33804	4.6
421.34976	22.6
439.35907	100.0
440.29596	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19335	1.2
54.03023	1.4
55.05509	16.6
57.07075	12.1
67.05508	23.0
69.07068	27.4
69.36367	12.6
71.08620	2.2
74.95956	1.6
79.05492	12.8
81.06585	2.7
81.07062	53.4
83.08627	13.6
89.06020	2.4
91.05472	15.5
93.07050	38.8
93.07629	2.6
95.04979	1.7
95.08610	91.7
97.06535	1.9
97.10175	10.2
105.07036	39.1
107.08595	63.5
109.10161	65.8
110.07797	1.3
110.37843	1.4
111.11709	3.9
117.07005	4.1
119.08584	67.1
121.10146	55.8
123.08085	3.2
123.11707	39.9
124.97861	1.5
131.08586	11.0
133.08589	2.0
133.10132	50.0
135.08058	1.9
135.11699	40.9
137.09605	1.7
137.13269	19.5
143.08543	3.5
145.10110	15.1
147.11691	52.8
149.09633	1.6
149.13266	36.3
149.14381	2.6
151.07521	2.2
151.11285	1.5
151.14803	2.1
153.09123	6.8
157.10143	4.5
159.11693	12.4
160.12508	2.3
161.09557	2.3
161.13254	28.8
163.11185	2.4
163.14806	18.2
165.09131	3.1
167.10670	3.1
171.11739	3.8
173.09552	1.4
173.13254	9.7
174.14001	2.0
175.14832	21.7
177.16393	10.3
179.17986	3.2
183.11639	2.4
185.09659	1.4
185.13301	2.9
187.14842	10.1
189.16383	80.7
191.17950	65.6
193.15858	2.1
197.13313	2.2
199.14819	5.1
201.12653	2.0
201.16412	32.6
203.17964	100.0
205.15857	2.5
205.19524	38.9
207.17438	5.1
213.16344	3.7
215.18011	12.2
217.15916	6.2
217.19505	20.6
219.17464	4.0
219.21162	1.9
221.15372	2.7
221.19019	3.5
227.18044	2.2
229.19569	3.6
231.17432	4.2
231.21075	7.1
235.16911	11.6
239.14964	2.0
240.15115	1.6
241.19495	2.8
245.22633	6.3
247.16879	14.0
249.18567	11.9
255.21043	1.9
257.22623	4.2
259.17090	1.9
261.18616	8.2
269.22607	2.9
273.18552	2.1
273.22079	2.4
287.19968	1.6
314.56238	1.4
315.23233	2.4
329.24567	2.4
393.35199	14.3
421.30042	2.8
421.35593	8.2
439.30777	7.2
439.36386	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	21-Hydroxylanosta-7,9(11),24-trien-3-one
Peak:m/z	Relative Intensity
53.03941	2.7
55.05514	10.2
57.07068	4.6
58.01935	1.2
65.03934	1.7
67.05512	15.2
69.07072	21.2
75.93476	1.2
79.05483	12.5
81.07059	32.2
83.04984	1.4
83.08633	9.8
89.06043	11.7
90.06335	1.3
91.05480	14.1
93.06485	2.0
93.07045	28.3
95.04987	1.8
95.08614	57.3
97.06518	1.9
97.10165	5.7
105.07037	26.8
107.08601	51.1
109.06507	2.9
109.10163	37.2
111.08060	3.8
111.11701	4.7
117.07027	4.4
119.06108	1.5
119.08584	45.5
121.06502	2.9
121.10145	36.5
123.08096	3.0
123.11711	23.3
125.09599	1.5
125.13293	1.4
129.06985	3.3
131.08577	14.9
133.08589	5.4
133.10136	35.4
135.08061	2.3
135.11700	29.4
137.13225	9.3
143.08539	6.6
145.10121	23.3
147.08061	2.7
147.11693	28.8
149.09616	2.9
149.13252	15.1
151.11198	1.6
151.14778	1.8
155.08572	3.7
156.09409	2.1
157.10114	10.5
158.10936	2.8
159.11693	22.8
161.09639	2.1
161.13263	22.0
163.11180	2.1
163.14835	11.9
165.12732	4.8
169.10132	5.1
170.10831	1.5
171.11650	11.0
173.13283	18.1
175.11162	2.3
175.14824	14.0
177.12686	1.8
177.16409	11.1
179.14319	13.0
183.11691	4.3
185.13258	8.2
187.11192	2.3
187.14799	15.0
189.12823	2.2
189.16389	32.6
191.14325	6.4
191.17944	21.7
193.15909	3.2
195.11732	2.5
197.13272	4.9
199.14851	10.5
201.16399	17.8
203.14297	2.1
203.17975	27.1
205.15866	4.5
205.19678	6.6
205.21225	1.3
207.17407	7.1
209.13452	1.3
211.14848	5.0
213.16356	8.8
215.17941	11.3
217.15916	9.4
217.19466	8.1
219.17500	2.7
223.14844	2.0
225.16415	3.9
227.17969	6.5
229.15971	1.4
229.19498	8.3
231.17448	9.0
231.21083	5.6
233.19096	2.9
235.16931	1.9
237.16380	2.7
239.14891	8.5
239.17911	3.6
240.15198	5.6
241.19473	7.7
243.21062	9.4
245.22639	1.8
247.17107	1.6
249.18486	3.3
251.17883	2.0
253.19487	5.0
255.21094	7.6
257.18927	2.6
257.22604	4.9
259.20517	2.1
259.24289	1.4
265.19598	3.6
267.21002	6.3
269.19589	1.5
269.22678	5.6
271.20572	5.4
279.21094	4.0
281.22635	5.4
283.24130	1.7
285.22122	8.5
293.22745	2.0
295.24133	2.4
297.25757	1.8
305.22922	1.6
307.24249	3.6
309.25623	1.5
311.23618	1.4
311.27133	1.6
325.25336	1.7
335.27295	1.7
347.27286	2.0
353.24881	2.8
365.28299	2.1
391.33633	3.5
393.35220	7.3
403.33685	25.9
409.34476	4.1
411.36298	7.8
421.34756	65.8
422.35284	2.5
439.36261	100.0
440.36166	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03946	1.3
53.37085	0.9
55.05504	7.4
57.07072	3.0
63.01716	0.9
63.77676	0.9
67.05508	9.9
69.07063	10.8
69.44270	6.0
69.44688	1.7
71.04984	1.3
71.08626	1.0
79.05490	5.6
81.07056	19.1
83.08627	5.2
89.06033	2.9
91.05469	5.6
93.07047	14.2
95.08604	49.1
97.06538	1.4
97.10167	3.8
98.21534	1.6
101.74784	0.9
101.79092	0.9
105.07028	14.4
107.08595	30.2
109.06541	2.7
109.10157	22.1
116.65845	1.0
117.07008	1.3
119.08572	17.4
121.06541	1.4
121.10151	22.2
123.08072	38.9
123.11697	8.7
125.09621	5.1
129.07076	1.0
131.08553	6.2
133.08603	2.4
133.10123	15.4
135.08052	6.7
135.11679	10.5
137.09639	2.2
137.13281	3.3
143.08553	3.5
145.10132	17.0
147.11697	20.7
149.09641	4.0
149.13255	6.2
151.11162	1.2
157.10114	4.8
158.10909	1.5
159.11697	14.6
161.09587	2.0
161.13307	10.5
163.11198	15.6
163.14845	5.9
165.12712	1.9
169.10179	1.3
170.08144	0.9
171.11722	3.2
172.55211	1.0
173.13266	17.3
175.14737	4.4
177.16415	5.5
179.14349	1.1
183.11729	1.7
185.13295	3.2
187.14824	11.1
189.16313	5.6
191.14398	1.4
191.17960	9.2
193.15910	1.0
197.13264	1.1
199.14885	3.4
201.16389	22.1
203.14328	2.3
203.17932	4.4
205.15869	27.1
205.19579	1.3
211.14812	1.8
213.16454	1.7
215.14485	1.1
215.18018	3.0
217.16008	1.7
217.19475	4.5
219.17441	100.0
220.17909	1.0
221.15327	1.6
225.16336	1.2
227.18039	2.1
229.16017	1.1
229.19579	3.1
231.21214	1.2
235.16920	11.1
239.14925	2.4
240.15305	1.9
241.19504	1.5
243.17374	1.2
243.21164	1.5
245.18953	1.6
249.18506	1.4
255.21036	1.4
257.22824	1.8
261.18466	2.1
269.22632	1.9
271.24121	0.9
283.24451	1.2
311.27142	1.1
353.32147	1.4
363.30472	1.0
403.33688	4.4
421.34668	12.0
439.35760	81.8
440.35925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	3-Oxo-tirucalla-7,24-dien-21-al
Peak:m/z	Relative Intensity
55.05519	8.8
57.07084	4.0
67.05512	9.7
69.03434	1.1
69.07076	12.3
70.78760	2.0
71.08640	2.0
79.05499	5.8
81.07073	20.5
83.08625	5.1
85.06550	1.6
89.06023	4.1
89.46816	1.0
90.06370	1.3
91.05476	6.5
93.07063	15.9
95.04979	1.2
95.08617	49.4
97.06561	1.2
97.10191	3.4
99.08121	1.0
105.07040	18.8
105.07690	1.4
107.08607	30.2
109.06545	2.3
109.10168	18.0
111.08084	2.9
111.11718	0.9
117.07014	1.6
119.08594	23.9
121.06504	1.2
121.10150	20.9
123.08083	45.5
123.11715	11.7
123.36884	0.8
125.09642	5.0
125.86882	0.9
129.07007	1.5
131.08588	7.0
133.08630	1.1
133.10144	16.9
135.08075	8.1
135.11714	15.4
137.09660	2.5
137.13292	5.7
139.11172	0.9
143.08568	3.9
145.10149	20.9
147.08076	1.1
147.11711	31.2
149.09636	4.2
149.13278	6.6
151.11195	1.5
155.08647	0.8
157.10158	4.9
158.10909	1.5
159.11694	14.1
161.09668	3.0
161.13271	9.0
163.11249	2.0
163.14873	3.7
169.10214	1.3
171.11630	4.4
173.09714	1.2
173.13301	15.3
175.11227	2.5
175.14845	21.7
175.16290	1.7
177.12732	1.3
177.16380	5.3
183.11722	2.0
185.13330	2.2
186.14095	1.2
187.14862	9.6
189.12724	1.7
189.16400	14.2
191.14328	1.2
191.17966	14.8
199.14882	5.3
201.16420	20.6
203.14368	2.0
203.17989	7.7
205.15903	19.7
207.17511	4.6
211.14880	2.2
213.16440	3.7
215.18018	3.5
217.15933	8.4
217.19560	1.7
219.17468	100.0
220.17842	1.0
221.15509	0.8
225.16383	1.1
227.18004	3.4
229.15941	1.1
229.19624	1.7
231.17482	5.6
235.17017	3.8
237.16536	1.0
239.14861	1.4
239.18234	1.0
240.15347	1.5
243.20956	0.9
245.19054	2.3
247.17142	1.0
249.18614	1.9
251.17964	0.9
255.21140	1.4
257.22705	1.2
259.20630	1.3
265.19614	1.0
267.21191	1.4
269.22839	0.9
271.20682	1.5
285.22217	3.1
286.94141	0.9
299.23642	1.6
375.36386	0.9
393.35339	2.4
403.33649	5.7
409.34882	3.1
411.36481	3.6
421.34872	20.7
422.35739	2.5
439.35852	86.1
440.36130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.31967	1.3
55.05505	6.1
57.07073	3.4
67.05492	6.8
69.07069	11.0
69.11730	1.3
71.14484	3.2
72.16389	1.3
79.05491	5.2
81.07064	28.0
83.08618	5.4
84.28519	1.5
89.06054	7.2
91.05489	4.2
93.07050	12.2
95.04948	1.8
95.08611	41.6
97.10177	2.2
105.07047	10.2
107.08596	17.6
109.06483	1.9
109.10160	15.8
111.11696	1.6
119.08585	16.7
121.10164	13.5
123.07993	1.9
123.11699	8.1
125.09678	1.6
130.62119	1.4
131.08565	5.0
133.08594	2.9
133.10135	11.2
135.08063	3.0
135.11699	19.0
137.13280	15.0
143.08578	2.0
145.10117	7.7
146.68541	1.6
147.11703	12.6
149.09496	2.3
149.13249	7.5
157.10132	3.6
159.11734	6.7
161.09610	3.4
161.13290	5.5
163.14876	2.1
171.11746	3.6
173.13306	4.9
175.14830	6.0
187.14868	3.0
189.16400	12.3
191.18008	4.0
199.14859	3.1
201.16402	4.2
203.14290	1.6
203.17975	6.6
211.14790	2.0
213.16422	5.0
217.15894	10.2
219.17441	6.4
227.17950	1.7
229.19574	2.1
231.17450	3.9
231.21014	1.8
239.15074	3.0
240.15286	4.2
241.19370	1.8
245.18929	1.8
257.22705	1.7
273.22195	2.3
284.51813	1.7
287.23648	2.1
325.28864	1.7
346.45969	1.6
365.28522	1.9
393.35126	3.6
403.33688	4.5
411.36252	3.0
421.34698	29.1
439.35745	100.0
440.36389	3.1
456.09949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.07035	0.5
51.20754	0.5
55.05505	2.8
57.07070	1.8
67.05510	6.1
69.06765	0.6
69.07076	6.3
69.61432	1.2
69.61848	3.1
70.63033	0.5
71.05003	0.6
71.25258	0.6
73.21296	0.5
79.05489	2.8
81.07063	10.3
82.28773	0.6
83.04986	0.7
83.08614	2.6
85.06539	0.7
89.06032	2.7
91.05490	1.9
93.07047	5.6
95.04994	1.0
95.08614	25.2
96.08918	0.9
97.10177	1.4
98.20763	0.6
105.07034	5.5
107.08606	11.6
109.06530	2.2
109.10176	10.9
111.08082	1.1
111.11723	1.1
117.06990	0.8
119.08594	6.8
121.10146	8.9
122.06967	0.5
122.44382	0.5
123.08079	14.1
123.11714	6.7
125.09635	2.4
131.08580	2.1
133.08603	1.0
133.10147	4.6
135.08052	2.2
135.11708	7.3
137.06007	0.8
137.09644	1.3
137.13277	3.9
143.08540	0.7
145.10150	5.2
147.08073	0.8
147.11710	6.0
148.12436	0.9
149.09625	2.1
149.13275	5.6
157.10136	2.2
159.11713	3.5
161.09695	1.0
161.13275	3.4
163.11180	1.0
163.14827	1.6
171.11749	2.0
173.09688	1.4
173.13332	4.6
175.11176	0.9
175.14821	2.2
177.12808	0.8
177.16371	1.3
187.11227	0.7
187.14865	1.6
189.16402	4.7
191.17958	3.6
199.14952	0.8
201.16391	5.8
203.17990	0.9
211.15022	0.7
213.16312	0.9
215.18002	1.1
217.15919	1.1
219.17462	20.8
225.16505	0.7
227.17979	0.8
229.19649	0.8
233.15533	0.8
233.18921	0.8
239.15050	1.7
240.15175	1.5
245.19116	0.8
253.19772	0.9
255.21193	1.0
261.22247	0.9
271.24036	0.6
273.22256	0.9
283.20645	1.7
285.22003	1.4
289.21494	0.6
301.21613	2.9
303.23199	0.9
306.67935	0.6
327.26822	0.9
411.36136	0.9
421.34714	16.3
439.35767	100.0
440.36203	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	439.3576
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
53.03951	0.7
53.15072	0.7
54.69560	0.6
55.05513	6.9
57.07067	2.3
65.03951	0.9
67.05514	19.7
69.03419	0.8
69.07081	11.5
69.52724	1.2
69.53134	3.0
71.05001	0.9
79.05494	8.1
81.03419	3.1
81.07069	20.2
83.04976	1.8
83.08630	6.3
85.02923	1.6
85.06535	1.1
91.05490	11.0
93.07055	18.1
95.04989	2.3
95.08618	32.5
96.21695	0.7
97.06526	1.6
97.10164	3.3
105.07047	20.5
107.08607	23.0
109.06528	2.0
109.10172	26.9
111.08112	2.3
111.11713	0.9
113.93604	0.6
117.07021	3.0
119.08594	25.9
121.06534	1.6
121.10152	18.3
123.08081	2.3
123.11711	7.3
125.09679	1.0
128.06235	0.8
129.07024	2.7
130.07793	1.3
131.08585	8.2
132.47429	0.8
133.10147	16.2
135.08116	1.3
135.11711	14.2
137.09663	1.9
137.13283	4.3
142.07791	1.0
143.08578	5.1
145.10135	10.8
147.08028	1.0
147.11703	12.6
149.09686	1.9
149.13289	9.3
151.11282	1.1
151.14911	1.3
155.08580	1.8
155.10670	0.6
156.09462	0.8
157.10144	7.8
158.10809	0.7
159.11725	9.3
161.09666	0.8
161.13280	20.1
163.14818	4.3
165.12788	2.1
169.10179	3.5
171.11708	7.8
173.09624	0.8
173.11769	1.9
173.13283	6.7
175.11229	2.2
175.14859	10.0
177.12776	1.4
177.16374	3.8
179.14339	12.5
181.10123	0.8
183.11707	3.3
184.12544	0.7
185.13310	3.8
187.11314	0.8
187.14830	13.0
189.12718	1.0
189.16435	10.7
191.14342	2.0
191.17984	9.7
192.27202	0.6
193.12286	3.5
193.15984	3.5
197.13295	3.3
199.14876	4.6
201.16411	8.7
203.14380	3.1
203.17972	7.7
205.15953	3.1
205.19585	2.6
207.17474	5.8
210.13853	0.7
211.13315	2.9
211.14925	1.9
213.16397	5.7
215.14247	0.8
215.18010	5.1
217.16040	3.7
217.19531	11.8
219.17538	2.1
223.14859	1.3
225.16399	3.5
227.18005	3.6
229.16069	1.4
229.19550	4.8
231.17525	6.4
231.21083	1.0
233.15234	0.7
233.19130	1.8
235.16920	1.6
235.20630	1.5
239.18021	3.2
241.19632	3.5
243.17497	1.0
243.21153	1.6
247.17053	1.6
247.20645	1.6
249.18575	2.0
251.17960	1.4
253.19620	3.2
255.21109	2.9
257.22772	0.9
259.20544	1.0
265.19513	1.6
267.21042	4.2
269.22644	1.5
271.20554	4.8
273.22159	0.8
279.21072	1.0
281.22690	2.5
283.20721	1.8
285.22147	5.9
287.23682	1.0
295.24448	0.8
297.22183	1.2
299.23648	4.2
313.24997	0.8
319.24655	0.9
325.25308	0.9
351.26947	1.1
391.33493	1.7
393.35504	1.2
403.33554	4.2
409.34698	3.6
421.34729	18.7
439.27222	9.1
439.35800	100.0
440.36362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03955	1.4
55.05514	8.4
57.07070	3.6
57.57270	0.7
65.03934	0.9
67.05513	18.1
69.03436	2.3
69.06721	1.2
69.07075	18.6
69.44395	5.4
71.08623	0.8
79.05498	9.0
80.42570	0.9
81.06586	1.6
81.07063	31.3
83.08628	6.0
83.65658	0.8
91.05482	13.2
93.07053	26.6
95.04978	2.4
95.08614	55.8
95.27002	0.9
97.06532	5.3
97.10188	5.0
105.07039	28.3
107.04946	1.9
107.08605	39.9
109.06547	2.5
109.10166	56.0
111.08101	7.8
111.11727	1.7
117.07022	3.0
119.08596	33.1
121.06508	7.6
121.10156	35.1
123.08071	3.5
123.11720	12.8
129.07036	1.3
131.08582	9.9
133.06519	2.0
133.10147	21.6
135.08058	6.1
135.11705	31.9
137.13257	8.5
142.07799	2.3
143.08574	5.3
145.10129	11.0
147.08075	6.3
147.11696	15.3
147.12782	1.2
149.09654	6.5
149.13271	14.2
150.17703	0.8
156.09317	1.6
157.10147	10.5
158.10841	1.3
159.08057	2.1
159.11696	10.0
161.09639	5.6
161.13274	12.1
163.11174	2.5
163.14812	8.3
169.10233	2.3
170.10954	0.9
171.11707	7.6
173.09608	1.5
173.13272	7.7
175.11220	6.4
175.14856	12.7
177.12729	2.0
177.16402	2.6
184.12468	1.3
185.13258	4.2
187.11172	2.0
187.14856	10.4
189.12794	8.3
189.16400	20.4
191.14389	5.7
191.17963	100.0
197.13345	1.9
199.14874	5.5
201.16405	10.1
203.14366	10.5
203.17973	20.9
205.15916	5.3
205.19472	6.3
207.17281	1.0
213.16360	8.7
215.14308	1.8
215.17882	4.2
217.15927	12.2
217.19481	9.6
219.17476	9.2
219.21114	1.7
221.96280	0.9
225.16399	1.0
227.17938	1.8
229.15910	3.3
229.19571	2.4
231.17476	14.0
233.15385	1.4
235.16954	10.6
239.17960	1.4
241.19620	1.9
243.21208	0.9
247.17039	2.6
249.18520	33.8
255.21365	1.0
257.19104	1.0
257.22607	1.0
261.18445	1.0
265.19327	1.2
271.20584	1.3
281.23154	1.0
315.23187	1.0
403.33530	2.1
409.34830	1.5
421.34677	13.9
424.44580	0.9
439.35767	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.65742	0.9
55.05516	16.0
57.03446	1.6
57.07088	7.1
61.68224	1.0
63.50307	1.0
64.46598	1.1
65.03965	1.4
67.05511	29.0
69.03446	1.8
69.06720	0.9
69.07072	22.1
70.24200	2.9
71.05013	1.1
71.08624	1.5
72.76694	0.9
73.16425	0.9
79.05495	12.2
81.03441	3.1
81.07064	58.8
83.05009	1.5
83.08624	12.6
85.02934	1.0
85.06551	1.9
91.05478	12.7
93.07050	29.1
95.04999	3.4
95.08614	100.0
97.06543	1.8
97.10213	7.2
105.07040	29.3
107.08601	42.2
109.06554	2.6
109.10163	53.9
111.08120	3.2
111.11754	3.1
117.07029	4.2
119.08589	37.5
121.06504	6.8
121.10150	36.3
123.08067	2.2
123.11717	24.4
123.12579	1.7
129.07034	2.2
131.08568	13.4
133.06509	1.3
133.10136	26.3
135.08067	12.0
135.11703	27.6
137.09644	2.8
137.13263	37.7
143.08598	6.3
145.10146	13.4
147.08092	3.9
147.11690	21.1
149.09671	1.2
149.13272	27.2
151.14865	2.5
153.09142	2.4
155.08551	1.6
156.09406	1.4
157.10165	7.4
158.10905	2.1
159.08167	2.0
159.11713	10.8
160.12434	1.1
161.09698	3.0
161.13269	21.8
163.11209	2.5
163.14842	14.5
165.12831	1.5
167.10764	1.4
169.10173	1.3
171.11684	6.5
173.09804	1.2
173.11815	2.0
173.13271	15.9
175.11235	4.4
175.14861	17.3
177.12819	4.0
177.16417	10.2
183.11723	2.6
185.13335	3.1
187.11249	1.3
187.14845	16.8
189.11359	1.3
189.12692	6.1
189.16382	24.6
191.14331	9.9
191.17953	33.0
193.12341	4.0
193.15868	1.6
193.81358	1.0
196.64973	1.0
197.13373	1.8
199.14783	5.1
201.12750	1.9
201.16429	10.3
203.14342	6.3
203.17969	42.1
205.15898	11.8
205.19514	23.5
207.17514	3.0
211.13383	4.0
213.16460	8.2
215.14427	2.6
215.18045	4.0
217.16000	6.0
217.19513	10.8
219.13925	1.3
219.17601	1.8
219.20981	1.4
221.15430	5.0
221.19029	1.9
227.17978	3.7
229.15930	3.5
229.19574	4.2
231.17445	10.0
231.21172	3.4
233.15375	10.5
235.17070	3.8
241.15862	2.6
241.19621	4.5
243.17642	3.5
243.21162	2.3
245.18944	1.6
245.22763	2.3
247.16939	7.3
249.18475	8.6
255.21182	1.4
257.19357	1.6
257.22461	1.6
259.16840	2.4
261.18570	2.1
261.22235	1.3
269.22672	2.3
271.20621	2.9
275.20322	1.2
275.23755	1.2
283.20502	2.5
289.21774	1.2
311.23737	1.2
327.26883	1.1
329.24753	1.6
379.33881	1.8
393.35446	5.2
395.33054	22.1
395.37421	1.5
397.30673	1.6
397.35272	1.3
403.33997	2.8
411.36441	8.5
421.34894	17.9
439.27582	5.6
439.35959	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01861	1.5
55.05510	15.4
56.96545	1.5
57.03427	2.4
57.07077	6.7
59.05001	1.0
61.02929	1.2
65.03928	1.2
67.05172	2.1
67.05507	27.3
67.05877	1.3
69.03425	1.5
69.07066	26.1
69.82558	3.9
71.04996	1.8
71.08633	2.0
78.43415	1.0
79.05500	13.2
80.21500	1.0
81.03417	2.4
81.07056	63.8
82.07401	1.3
82.43798	1.0
83.05001	1.3
83.08624	13.5
85.02900	2.6
91.05475	13.6
93.07042	34.0
93.07632	1.7
95.04974	3.6
95.08607	100.0
97.02911	1.5
97.06542	1.8
97.10162	7.1
98.20773	1.3
98.97580	2.2
101.06062	1.1
105.07026	28.2
107.04970	2.2
107.08592	46.6
109.06528	3.4
109.10155	55.3
111.08057	1.8
111.11745	4.4
114.60648	1.3
117.07030	3.6
119.08585	36.3
121.06519	9.1
121.10149	42.4
123.08094	2.7
123.11707	29.2
125.06034	1.9
129.07059	3.3
129.79729	1.1
131.08569	14.9
133.06538	1.2
133.10144	20.9
133.11087	1.7
135.08055	10.7
135.11694	32.7
137.09663	2.5
137.13252	45.3
139.11165	1.4
143.08572	8.2
145.10123	15.5
147.08098	2.3
147.11691	15.9
149.02408	1.4
149.09644	3.1
149.13264	29.1
151.11197	1.7
151.14856	2.6
155.08583	2.5
156.09338	1.6
157.10147	8.2
157.11281	1.2
159.08072	2.3
159.11711	14.3
161.09607	6.5
161.13252	17.9
163.11223	2.6
163.14842	15.3
163.16132	1.7
165.12787	2.6
167.10773	1.7
169.10129	2.6
171.11661	6.8
173.09688	1.5
173.13231	16.8
175.11200	5.3
175.14835	16.6
177.12852	4.0
177.16379	9.3
179.10817	1.4
179.14355	3.7
183.11722	3.7
185.13354	4.6
187.11293	2.6
187.14815	16.8
187.16180	1.4
189.12740	9.6
189.16373	15.5
191.14314	12.7
191.17941	22.0
191.19525	1.5
193.04967	1.4
193.12326	3.6
193.15913	2.1
195.11732	2.1
197.13374	3.4
199.14857	4.1
201.12801	1.6
201.16412	8.9
203.14290	7.7
203.17966	18.4
205.15889	14.7
205.17580	1.9
205.19511	27.0
207.17485	1.6
211.13258	2.7
211.15041	2.2
213.16374	13.1
213.18056	1.1
215.14391	3.9
215.17943	5.8
217.15935	7.9
217.19475	8.1
218.73241	1.1
219.17480	1.9
219.21106	1.8
221.15463	4.4
223.14937	1.1
224.54256	1.1
225.16559	1.6
227.18039	3.2
229.07384	1.4
229.15944	3.2
229.19661	3.5
231.17482	10.0
231.21036	2.2
233.15306	13.5
235.17052	4.1
241.15921	2.1
241.19664	4.0
243.17497	4.3
243.21204	3.7
245.19125	1.7
247.16869	9.8
249.18478	8.0
255.17714	1.3
255.21133	2.2
257.19125	1.4
257.22769	1.6
259.17084	2.6
259.20578	2.6
261.18594	2.4
267.09003	1.4
267.21335	1.7
269.22629	2.9
271.20801	2.4
273.22095	1.6
275.20111	1.2
276.64651	1.2
279.04245	1.4
283.20807	2.2
285.10431	1.3
285.22134	1.7
287.19916	1.4
321.05078	2.9
379.33810	1.6
393.35306	4.7
395.33057	21.8
397.30936	2.6
403.28888	1.8
403.33783	3.9
411.36304	10.7
421.29974	1.8
421.34818	22.7
439.27316	5.9
439.35928	74.8
440.36273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05509	8.1
57.03455	1.2
57.07074	3.1
67.05504	13.4
69.03410	1.4
69.07065	13.2
71.05019	1.2
71.08608	0.9
79.05485	8.2
81.07063	25.4
82.72757	1.1
83.04994	1.2
83.08612	4.4
85.06591	1.4
88.11234	1.1
91.05485	10.5
93.07050	20.1
95.04968	1.7
95.08609	35.3
97.06538	1.4
97.10145	2.7
105.07037	21.8
107.08601	29.5
109.06539	1.3
109.10155	26.7
110.39384	1.1
111.08073	2.9
111.11684	1.5
116.48637	1.0
117.07028	3.9
119.08582	28.4
121.06474	1.3
121.10149	26.1
123.08090	2.4
123.11710	10.8
125.09675	1.5
128.06165	1.1
129.07037	2.2
131.08578	9.2
133.10149	20.0
135.08107	1.7
135.11697	18.4
137.13226	4.1
143.08565	6.4
145.10126	12.7
147.11710	12.1
149.09628	1.5
149.13275	13.2
151.14774	1.5
155.08601	2.1
157.10132	10.1
159.11667	11.5
161.09633	1.4
161.13264	11.4
163.11255	1.5
163.14806	9.5
165.12811	1.2
167.08571	1.5
169.10118	2.8
171.11731	6.6
173.09648	1.7
173.13243	9.6
175.11266	1.7
175.14838	8.9
177.12820	2.1
177.16406	6.4
179.14304	3.0
181.10019	1.6
183.08116	2.0
183.11716	3.2
185.13245	6.0
187.14827	8.0
189.12741	2.5
189.16368	15.3
191.14351	2.6
191.17891	5.7
193.15848	1.5
195.11679	1.8
197.13271	4.5
199.14850	6.7
201.12820	1.5
201.16379	5.8
203.14394	1.8
203.18010	7.4
205.19626	2.5
207.17436	3.6
209.13335	1.7
211.14825	3.7
213.16380	5.5
215.17953	6.9
217.15849	2.9
217.19464	2.7
219.13745	2.2
219.17456	1.3
225.16313	2.5
227.17920	3.7
229.19453	6.3
229.50235	1.1
231.17433	2.8
231.21153	1.8
233.15405	1.5
233.19043	3.1
239.17897	2.8
241.19530	4.2
243.21083	2.2
245.19025	3.5
253.11119	1.4
253.19572	1.3
255.21053	3.8
257.22559	2.0
259.20636	2.2
265.19525	1.8
267.21072	5.0
269.18939	1.2
269.22562	2.3
271.20590	1.9
275.20114	1.4
281.22537	1.5
283.20749	1.3
285.22101	5.1
293.22617	1.5
295.24374	1.4
299.23807	2.0
302.37018	1.3
307.23978	1.3
379.29831	1.4
393.31238	2.0
403.33685	2.7
409.34619	4.9
421.35245	12.2
439.36035	100.0
440.35959	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	440.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57439	0.2
53.03936	0.5
56.89196	0.2
57.15039	0.2
65.03941	0.3
67.05505	2.5
68.16965	0.2
69.03430	0.7
70.06583	0.3
71.54375	0.2
73.02945	0.3
74.61383	0.2
79.05504	0.4
81.03419	0.5
83.04955	0.2
85.02912	1.0
93.05769	0.2
94.06571	9.1
95.04972	0.4
97.02899	0.6
98.97588	0.3
106.06561	2.9
108.04444	0.2
109.02851	0.5
110.06064	0.2
116.01666	0.4
119.04934	0.2
122.06035	7.4
123.04487	0.4
127.03918	1.0
130.95325	0.2
131.04933	0.5
137.06026	0.2
138.05519	1.0
139.03918	1.1
145.04974	0.4
150.05511	100.0
151.05859	0.7
152.07062	0.2
153.01830	0.6
154.08612	0.2
160.04292	0.6
160.07611	0.4
161.05946	0.4
163.07529	0.5
165.05537	0.2
167.07088	0.2
168.06554	2.2
174.05518	0.8
219.01724	0.2
228.06721	0.2
242.08105	0.3
260.09189	0.3
270.07596	0.8
288.08694	5.6
289.08847	0.2
319.64136	0.2
328.13919	0.3
422.13513	0.3
440.13425	7.0
441.13623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46373	0.7
56.96562	0.9
58.99579	3.9
67.05508	0.9
69.03431	1.3
70.04900	1.8
70.05292	1.7
70.06582	1.2
71.04986	0.8
73.02943	0.9
75.43389	0.9
76.02233	7.0
79.05463	0.8
84.04504	1.2
85.02926	3.1
86.99062	1.9
94.06564	1.8
96.04478	1.0
97.02872	1.1
98.97598	2.1
99.04443	0.9
100.02224	6.0
105.00098	2.1
109.10197	1.1
122.06033	2.4
124.03998	1.1
127.03943	1.6
136.07564	1.9
137.06125	1.0
138.05466	2.0
139.04016	0.9
142.03325	0.9
146.02722	8.5
146.06001	0.8
150.05527	1.0
153.01826	0.8
154.13338	0.8
162.05446	1.3
164.07056	1.8
170.09711	1.9
172.07608	2.0
175.08670	3.4
180.06514	0.9
186.09196	2.2
188.03807	1.7
189.10214	2.1
190.04982	1.2
196.04300	1.4
196.07619	2.9
198.09280	4.9
198.48497	1.0
200.07104	1.7
211.08693	0.9
213.10272	7.7
214.08815	3.9
214.10683	1.0
215.11829	5.2
215.96570	0.8
217.09750	4.2
220.54150	0.8
226.07230	2.6
227.08295	1.4
227.11839	1.8
231.11345	1.6
235.10741	5.2
239.08275	1.4
240.08957	2.9
240.33192	0.8
241.09714	28.0
242.04861	0.8
242.08150	4.9
242.10410	1.6
243.09119	1.3
243.11348	15.9
254.06339	1.3
254.10501	2.0
255.11313	4.5
256.10712	1.1
257.12918	1.1
258.12387	9.1
259.08099	0.8
259.10779	23.8
260.09250	1.6
271.13156	1.8
273.06900	2.0
277.11804	0.9
283.10791	9.4
284.09094	1.4
284.13895	1.6
285.12347	11.5
286.09586	2.5
299.08466	3.8
301.11859	24.0
302.10248	2.8
303.13382	4.3
317.13715	18.2
318.12640	4.5
319.12909	4.2
323.06528	0.9
360.13779	1.1
362.11710	6.8
363.10016	4.6
378.14941	1.5
404.12787	16.3
405.11237	5.6
422.13840	100.0
423.12280	10.5
440.15216	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	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36988	0.8
53.03938	1.0
55.01876	7.6
55.05499	2.5
57.03439	15.4
60.04528	1.0
61.02934	11.8
67.05488	1.6
69.03433	29.0
69.06730	0.9
69.07072	11.5
69.68764	2.7
69.69183	1.7
71.01350	3.6
71.04990	2.8
73.02922	35.5
77.77401	0.7
79.05489	1.4
79.81977	0.8
80.84605	0.7
81.03421	5.3
81.07059	2.1
85.02908	100.0
87.04466	4.0
91.03966	4.3
91.05495	1.2
93.07085	2.0
95.08612	2.1
97.02895	41.0
97.06535	0.9
99.04468	4.0
103.03945	2.9
105.07047	1.7
107.08593	1.0
109.02896	9.2
109.10165	1.1
111.11720	5.0
115.03938	15.8
119.04974	1.5
119.08572	1.6
121.61034	0.7
122.27170	0.8
124.03969	0.8
127.03922	29.3
129.12737	1.9
133.04977	19.7
133.10135	1.1
139.03891	1.8
145.04964	46.3
145.10176	1.0
147.04443	4.9
150.07637	3.6
154.09373	0.7
157.10184	0.9
159.11726	1.4
161.06003	3.0
161.09668	1.4
163.06024	21.1
163.07434	1.8
165.05470	0.8
180.48682	0.7
189.09108	2.5
189.12762	0.9
195.13817	1.0
199.05943	1.4
207.10107	3.8
217.07021	1.0
223.06087	4.3
241.06984	3.9
259.08029	4.5
277.09320	1.7
282.26288	0.7
291.18118	1.4
315.13211	1.5
361.16638	1.2
370.19388	1.8
396.70691	0.8
422.20920	2.5
440.23447	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36988	0.8
53.03938	1.0
55.01876	7.6
55.05499	2.5
57.03439	15.4
60.04528	1.0
61.02934	11.8
67.05488	1.6
69.03433	29.0
69.06730	0.9
69.07072	11.5
69.68764	2.7
69.69183	1.7
71.01350	3.6
71.04990	2.8
73.02922	35.5
77.77401	0.7
79.05489	1.4
79.81977	0.8
80.84605	0.7
81.03421	5.3
81.07059	2.1
85.02908	100.0
87.04466	4.0
91.03966	4.3
91.05495	1.2
93.07085	2.0
95.08612	2.1
97.02895	41.0
97.06535	0.9
99.04468	4.0
103.03945	2.9
105.07047	1.7
107.08593	1.0
109.02896	9.2
109.10165	1.1
111.11720	5.0
115.03938	15.8
119.04974	1.5
119.08572	1.6
121.61034	0.7
122.27170	0.8
124.03969	0.8
127.03922	29.3
129.12737	1.9
133.04977	19.7
133.10135	1.1
139.03891	1.8
145.04964	46.3
145.10176	1.0
147.04443	4.9
150.07637	3.6
154.09373	0.7
157.10184	0.9
159.11726	1.4
161.06003	3.0
161.09668	1.4
163.06024	21.1
163.07434	1.8
165.05470	0.8
180.48682	0.7
189.09108	2.5
189.12762	0.9
195.13817	1.0
199.05943	1.4
207.10107	3.8
217.07021	1.0
223.06087	4.3
241.06984	3.9
259.08029	4.5
277.09320	1.7
282.26288	0.7
291.18118	1.4
315.13211	1.5
361.16638	1.2
370.19388	1.8
396.70691	0.8
422.20920	2.5
440.23447	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03950	0.5
55.01876	0.5
56.96558	0.5
57.03435	0.5
65.03967	0.5
67.05515	0.6
68.99802	2.3
69.03437	1.2
69.07090	0.7
69.85723	1.9
70.06590	1.4
71.04999	0.6
73.02927	0.8
73.24499	0.4
78.10072	0.4
78.61323	0.4
79.01862	5.0
79.05500	0.8
81.03419	1.0
81.07049	1.2
84.07404	0.4
85.02913	2.0
85.06551	1.1
90.00208	0.4
93.07029	0.8
95.04978	0.7
95.08607	1.1
97.02918	2.2
98.97588	1.4
99.04450	0.5
105.07043	0.9
107.01314	1.1
107.04989	0.8
107.08631	0.8
109.02885	0.8
110.97600	0.5
111.00788	0.7
111.04443	0.8
112.07626	0.8
117.45204	0.4
119.08586	0.5
121.10174	0.5
123.04440	3.1
124.07654	0.6
125.02360	2.6
126.09195	1.0
127.03955	4.4
131.04982	0.5
133.10143	0.4
135.04460	3.2
136.07639	0.6
137.06006	1.0
137.09628	0.8
138.09164	0.9
139.03908	1.0
140.07088	1.0
142.08653	0.7
143.03409	5.7
147.04483	0.8
147.08076	0.4
149.09633	0.6
153.01855	100.0
153.02914	5.8
157.06552	1.0
158.99696	0.7
160.38127	0.4
161.09619	0.6
163.03960	3.6
167.07098	0.6
169.06519	0.7
171.36620	0.4
173.05981	2.4
177.09120	0.8
179.03427	28.6
183.04462	0.8
185.06003	1.1
187.03897	1.1
193.04945	0.8
197.06038	1.7
201.05513	3.1
203.07112	1.8
213.05511	1.3
219.13853	0.8
225.05515	1.5
229.04961	4.4
237.02945	0.6
241.05222	0.7
243.06514	0.8
244.07849	1.3
249.18663	0.6
253.05005	1.2
261.07776	0.4
261.12280	0.4
261.14886	0.7
271.06058	31.9
279.13394	0.8
280.10571	0.7
285.86691	0.4
287.05588	3.8
289.07248	2.4
303.09116	0.6
315.04990	1.8
331.04556	9.5
390.34836	0.4
441.12732	2.5
441.17654	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	441.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.63944	0.6
56.96562	3.2
57.03422	1.7
61.02917	2.1
69.03439	5.8
70.06588	1.0
71.04973	0.9
73.02908	2.1
79.50491	0.7
81.03420	2.0
83.90977	0.8
84.96049	1.5
85.02911	14.3
87.04467	1.6
91.03964	0.8
94.06560	0.9
97.02917	5.7
98.21516	2.8
98.97594	20.7
99.04477	1.5
101.00872	3.0
109.02881	1.6
110.97569	6.8
113.00866	0.9
115.02431	1.1
116.07094	1.2
116.98619	7.1
119.01931	4.3
119.04939	0.9
123.04488	0.8
124.99117	1.8
127.03928	5.4
128.98633	5.4
131.01912	1.7
133.01683	0.8
133.03487	1.6
134.99634	1.3
136.07610	1.3
137.05952	1.0
139.03911	1.3
140.98572	2.0
143.00224	4.0
143.01932	4.3
144.81204	0.8
145.01703	0.9
145.03476	2.6
145.04942	3.2
146.03506	1.0
146.99617	2.4
147.03311	0.9
147.04367	1.1
150.05515	10.7
151.05894	6.4
153.01823	3.5
153.05525	0.7
155.01865	3.5
157.03455	2.3
158.99670	9.4
159.00906	1.2
159.04900	0.7
161.01215	1.9
161.02954	2.4
167.01917	0.8
170.99661	8.5
171.05008	1.0
173.01299	0.8
173.03017	4.0
175.04539	1.0
177.00610	5.6
182.99661	4.4
185.02937	2.4
189.00771	6.6
192.03946	15.0
193.04781	4.5
193.67773	0.8
197.02928	1.2
201.00703	11.6
203.03947	2.7
204.04037	0.9
205.03795	0.8
207.01660	1.7
213.00671	1.3
213.02460	0.9
214.03246	5.2
215.03925	0.9
219.01732	8.7
219.07149	0.8
221.05089	2.7
229.05357	1.1
231.01691	1.5
232.04340	2.1
232.06760	0.8
233.06828	1.1
235.04605	0.9
237.02776	6.7
243.01726	4.8
245.05009	5.4
252.04915	0.9
253.05695	1.2
255.03841	2.3
256.04318	1.8
259.02390	1.0
261.02838	20.2
265.05560	1.1
267.07242	1.0
268.04456	1.0
270.05548	0.8
271.04144	1.3
271.06696	4.8
273.02713	1.6
273.58661	0.8
277.03375	3.0
279.03812	10.2
279.13513	0.9
285.00327	1.5
291.03894	3.9
292.04242	0.9
295.06561	1.3
303.01297	6.5
304.60214	0.9
321.04852	9.1
321.10309	2.5
323.10220	6.0
333.04834	1.6
335.08075	1.0
340.06372	2.4
351.06180	1.5
355.09689	4.0
363.06805	1.2
365.09097	1.5
379.01492	1.3
381.07108	2.0
397.11118	26.4
399.08191	1.2
403.01614	1.9
410.08344	0.9
441.09894	100.0
442.10291	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	441.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59848	1.6
56.96565	18.2
57.03436	3.4
61.02919	3.4
69.03445	10.9
70.06594	3.0
70.69854	3.8
73.02923	3.3
81.03416	5.0
84.96039	7.6
85.02914	20.4
91.05495	3.9
91.85574	1.5
92.70724	1.5
97.02902	10.4
98.97590	100.0
99.04434	3.1
101.00898	4.4
110.96839	2.1
110.97587	35.3
112.99181	1.6
113.00884	1.5
116.07108	5.4
116.98630	30.0
119.01913	4.9
119.04915	2.8
124.99113	5.8
127.03970	10.2
128.98608	18.2
129.03685	2.9
131.00110	2.1
131.01900	3.5
132.25316	1.6
133.03461	1.9
134.99652	4.9
136.07571	7.5
137.05989	6.1
140.98613	10.3
143.00198	18.7
143.01881	12.3
145.03542	1.6
145.04973	4.7
146.99651	5.5
147.04697	8.3
147.05800	2.4
148.34367	1.9
150.05438	2.3
151.05887	1.8
152.33592	1.6
152.98590	4.8
153.01926	2.6
155.01878	4.1
156.98106	1.8
158.99675	46.7
161.01282	9.5
161.02980	14.4
170.99672	29.3
171.05075	1.9
173.01213	4.0
173.02966	2.6
173.06534	3.6
177.00731	26.1
179.02385	1.8
182.99669	19.0
185.06671	4.1
189.00723	17.3
195.01595	2.6
195.05074	2.7
197.02936	2.1
201.00716	50.5
203.04005	2.8
207.01784	4.0
213.00687	4.1
214.03125	2.1
215.07692	3.2
219.01768	40.5
219.04980	2.8
219.07927	4.9
219.57979	2.1
221.05020	3.5
228.08430	5.9
231.01564	2.1
235.14281	1.7
237.02844	46.0
243.01788	22.8
244.04404	5.6
245.05069	3.5
253.05765	3.0
255.03951	18.4
257.00882	2.0
257.08789	1.7
259.02359	5.1
261.02847	83.7
261.12427	4.2
264.04742	2.3
271.06677	1.8
273.02811	5.4
274.70593	1.7
275.01923	3.3
275.09747	3.1
277.03467	14.9
279.03888	45.5
279.13318	5.2
291.03943	15.3
293.10828	9.4
297.05066	2.8
302.05530	2.2
303.01309	17.1
321.04980	41.1
323.09805	1.9
333.04889	7.4
335.11862	2.6
340.06326	2.0
348.06815	4.7
351.05994	6.9
375.11554	2.3
379.01608	2.5
381.06552	11.4
381.11224	3.0
391.31473	1.8
393.12326	3.1
399.07626	10.4
423.13348	6.9
441.09183	47.2
441.18719	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	441.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.7
69.93861	1.0
69.94276	1.7
89.07702	0.5
94.06564	0.7
98.97628	0.5
113.05894	0.5
122.06023	0.5
127.00030	0.7
127.03919	1.7
132.68257	0.5
150.05496	6.5
151.05858	2.7
153.01843	2.6
167.03111	0.9
177.01607	2.1
179.03461	0.7
192.03949	15.5
193.04712	6.5
214.03246	1.4
227.05238	0.8
245.04962	0.6
271.04172	2.1
271.06720	0.9
276.10507	0.5
303.01340	1.7
349.51181	0.5
355.09872	4.0
367.10352	0.6
397.11069	26.1
398.11340	0.7
404.90204	0.5
441.10052	100.0
442.10486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
56.96545	1.1
57.03423	1.8
61.02923	1.5
69.03437	4.3
69.39342	6.4
70.06583	1.7
70.29634	0.8
73.02913	1.1
81.03434	1.6
84.04494	0.8
84.96034	0.8
85.02430	1.0
85.02912	13.0
87.04459	0.8
91.03988	1.2
97.02904	6.1
98.21461	1.3
98.97581	7.3
99.04406	1.2
101.00877	2.4
101.51160	0.8
103.43604	0.8
109.02932	0.9
110.97574	2.2
115.02431	1.2
116.98602	3.1
119.01915	3.4
119.04922	0.8
121.01671	1.6
127.03934	5.3
128.98596	2.4
130.04950	1.2
131.01881	1.7
133.03416	1.2
137.06030	0.8
143.00217	1.2
143.01874	2.7
145.03458	2.9
145.04962	3.2
146.99608	1.0
147.03290	1.5
147.04333	1.5
150.05479	3.4
151.05832	2.8
153.01848	1.7
155.01901	2.5
157.03450	1.9
158.99652	3.2
159.35910	0.8
161.01141	0.9
161.02925	2.3
167.01886	0.8
168.99707	0.8
169.03484	1.0
170.99594	1.3
171.05084	1.3
173.01230	0.8
173.03011	2.3
175.04388	1.1
177.01735	1.0
182.99713	1.6
183.05029	0.8
185.02966	2.0
187.00926	0.8
187.04533	1.0
189.00696	2.6
189.02438	1.1
189.04211	1.2
192.03964	16.8
193.04749	6.9
197.02876	1.6
201.00677	6.1
203.03966	1.9
213.02507	0.8
214.03262	3.3
215.02234	1.3
216.06868	1.2
217.00172	1.0
219.01768	3.6
221.05124	1.3
227.05435	1.1
229.01799	0.9
231.03352	1.5
232.04306	1.2
233.03300	1.5
237.02791	2.9
243.01753	3.1
245.05093	4.8
247.04561	2.5
252.04956	0.9
253.05667	1.3
256.04214	1.3
259.02426	1.2
261.02844	7.3
261.08160	1.1
271.04153	2.4
271.06677	2.5
273.02615	1.4
277.03241	2.3
279.03702	4.4
279.13342	1.2
283.06503	1.0
291.03842	1.5
295.06589	0.9
301.11533	1.0
303.01144	3.0
304.01764	0.9
307.08801	1.6
308.89075	0.8
321.04865	2.5
321.10526	1.3
323.10126	1.7
329.10684	1.0
340.06357	1.4
351.06442	1.1
355.09714	3.9
363.02286	3.0
363.07013	1.1
365.09378	1.0
397.11069	26.3
407.46619	0.9
441.09900	100.0
442.10138	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	441.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36867	0.5
51.28305	0.5
56.96572	0.7
67.05512	1.0
69.84332	2.7
81.03434	0.7
84.96037	0.6
85.02927	1.1
94.06599	4.0
95.06917	1.0
97.02915	0.7
98.97620	1.5
106.06584	1.1
109.02898	0.9
112.76678	0.5
122.06027	3.0
123.06381	1.6
127.03938	3.9
139.03914	1.3
150.05527	33.5
151.05885	16.3
153.01868	5.9
153.03036	0.8
177.01651	2.6
179.03426	1.1
185.04286	0.8
191.03062	0.6
192.03961	16.8
193.04733	5.3
214.03242	1.0
219.01892	0.6
227.05350	1.9
232.04396	0.7
237.02904	0.6
239.04366	0.5
271.04172	1.4
271.06577	1.3
275.01813	0.8
279.13403	1.0
288.08615	0.6
289.09106	2.0
303.01385	3.7
304.01749	0.6
334.68466	0.5
347.20166	0.5
355.09918	3.0
356.23694	0.6
376.98068	0.9
381.86536	0.6
394.99103	0.8
397.11090	27.6
418.99167	0.7
423.11945	0.6
441.10052	100.0
442.10443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1372
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
53.03939	0.7
54.25379	0.4
55.01864	0.7
56.96549	0.9
57.03413	0.7
67.05478	1.0
69.03391	1.4
70.06554	0.8
71.04946	1.0
71.54745	0.7
73.02875	0.6
74.37782	0.5
79.05467	0.5
81.03412	1.0
81.07046	0.8
83.04897	0.5
85.02912	2.8
85.06492	0.5
87.04433	0.6
91.05420	0.6
95.04939	0.8
97.02850	1.8
97.06528	0.7
98.97533	1.9
105.06996	0.9
109.02849	0.9
109.10123	1.0
110.97594	0.5
116.98602	0.7
119.08465	0.8
121.10094	0.6
123.04388	0.9
124.07567	0.7
125.02335	0.6
127.03927	4.6
128.98518	0.6
133.04967	0.5
133.10085	0.6
136.07521	0.9
137.02223	0.7
137.05919	1.1
137.47028	0.5
139.03851	0.7
143.03282	0.8
145.04990	0.7
147.04332	1.6
147.09152	0.9
150.05441	1.4
151.05785	0.7
153.00760	0.7
153.01843	8.0
158.99663	1.0
162.05438	0.5
163.03845	0.7
164.07004	1.0
164.86482	0.5
167.06940	0.7
173.05786	0.8
177.00572	0.6
179.03325	0.9
192.03845	1.0
203.11037	0.5
207.06441	0.6
211.16786	0.5
219.01740	0.8
237.02931	0.6
261.12213	0.9
271.05847	1.4
279.08459	1.6
279.13043	1.9
291.03860	0.6
297.05887	0.6
329.14246	1.2
364.99808	0.5
423.11798	0.8
441.13293	100.0
442.14151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18231	0.3
55.01853	0.5
55.05498	0.9
57.03421	1.4
60.84214	0.4
61.02926	3.0
65.03938	0.5
67.05479	1.3
69.03425	6.3
69.07047	0.9
69.95898	1.7
70.92506	0.3
71.01344	0.9
73.02917	19.1
78.66735	0.4
79.05476	1.0
81.07070	2.1
83.08614	0.4
85.02907	2.0
90.07213	0.3
91.05479	6.4
93.07040	2.3
95.04929	0.7
95.08590	2.9
97.02883	1.6
98.21510	0.5
98.97598	0.4
105.07018	1.6
107.08591	2.3
109.02848	0.4
109.10178	1.8
115.03928	1.7
119.04942	12.8
119.08563	1.5
121.06528	0.4
121.10122	1.5
123.08097	0.7
123.11710	0.7
127.03931	3.3
131.08563	0.6
133.04971	0.6
133.10097	1.5
135.07980	0.3
135.11682	1.5
137.13248	0.5
139.03908	0.4
143.08478	0.7
145.10117	0.9
147.04407	100.0
147.11693	1.4
148.04724	0.4
149.13278	0.6
159.08078	0.5
159.11682	0.7
161.13289	0.6
165.05469	5.1
165.09128	2.8
171.11678	0.6
173.13245	1.0
175.14777	0.4
185.13327	0.5
187.11273	0.5
187.14841	0.4
189.12726	0.4
189.16351	1.0
191.17949	1.6
199.14925	0.5
201.16426	0.5
203.05290	1.8
203.14240	0.5
203.17926	0.4
205.12318	0.7
205.15688	0.4
219.13898	0.5
233.15512	0.9
244.15350	0.6
249.14864	0.5
261.18365	1.0
272.14777	1.0
279.19345	0.4
291.08643	3.4
309.09671	7.1
315.13437	1.5
316.13715	2.2
405.31775	0.6
423.20963	0.8
423.32391	3.3
441.24652	39.2
441.33371	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08344	0.6
55.01860	0.8
55.05507	1.3
57.03417	1.5
61.02924	2.7
62.92615	0.5
65.03915	0.5
67.05502	2.2
69.03078	0.7
69.03431	7.3
69.07074	4.0
70.07403	0.8
71.01339	0.8
71.04996	0.8
71.55191	0.8
73.02921	23.8
74.03248	0.6
79.05471	2.1
81.03412	1.2
81.07060	3.7
83.04998	0.6
83.08586	0.6
85.02907	7.4
85.06524	0.6
86.03223	0.9
87.04476	0.9
91.05482	6.5
93.07043	4.7
95.04973	1.0
95.08608	4.9
97.02924	3.8
97.06494	0.6
98.97591	0.6
99.04441	0.8
105.07022	3.5
107.08611	3.9
107.76458	0.5
109.02917	0.9
109.06517	0.5
109.10166	3.1
111.11705	0.8
115.03945	3.0
119.04950	13.4
119.08599	4.4
121.06521	0.7
121.10155	2.9
123.04427	0.6
123.08060	0.9
123.11709	1.1
127.03926	3.6
129.07002	0.5
131.08548	1.9
133.04976	1.5
133.10127	2.3
135.08084	0.9
135.11688	2.1
137.09595	0.7
139.03882	1.6
143.08560	1.1
145.04948	1.8
145.06422	0.4
145.10123	2.5
146.05290	0.6
147.04416	100.0
147.11713	2.0
148.04753	0.6
149.13243	1.3
151.03899	0.8
151.07495	0.5
153.01840	0.6
155.08583	0.6
157.10207	1.2
159.08115	1.1
159.11725	1.5
161.09669	0.8
161.13263	1.4
163.06004	0.5
163.14859	0.7
165.05487	4.5
165.09149	1.7
167.07112	0.5
169.10155	0.6
171.11627	0.7
173.09627	0.7
173.13284	1.7
174.53760	0.6
175.11203	0.5
175.14873	0.7
183.11694	0.7
187.14822	2.2
189.16409	1.8
191.14243	0.7
191.17932	2.0
199.14853	0.6
201.05612	0.5
201.12746	1.2
201.16383	0.6
203.14394	0.5
209.13429	0.5
215.14333	1.2
219.13879	1.0
233.15382	1.9
245.52333	0.5
261.14990	1.3
279.15942	1.5
291.08685	3.8
309.09735	8.4
325.02841	0.5
405.31210	0.8
423.32574	4.7
432.52039	0.5
441.20563	3.2
441.24295	8.1
441.33707	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	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01867	4.4
55.05516	11.9
57.03429	1.6
57.07054	1.3
59.04994	1.5
63.53263	0.9
67.05507	13.8
69.03415	1.8
69.07069	6.4
71.05003	1.7
77.03912	1.3
79.05496	12.7
81.03394	1.2
81.07064	16.4
83.04965	1.6
83.08611	3.5
85.02903	1.5
85.06522	2.8
91.05493	11.7
93.07047	15.0
95.04967	1.5
95.08620	19.2
97.06533	1.5
97.10174	4.5
97.73432	0.9
99.08076	1.5
103.05436	1.2
105.07041	12.0
107.04972	2.3
107.08598	16.0
109.06527	2.4
109.10165	12.5
111.08101	1.7
115.05479	1.7
117.06996	5.1
119.04926	1.5
119.08588	11.7
121.06519	9.5
121.10144	10.4
123.08063	2.4
123.11722	4.5
125.09653	2.5
128.06232	2.0
129.07001	9.2
131.04939	8.1
131.08577	9.4
133.06499	4.8
133.10155	6.3
135.08040	2.4
135.11693	7.6
137.09616	3.7
137.13235	1.4
139.03949	1.4
141.07001	3.1
143.08545	10.1
144.05728	3.5
145.06493	58.4
145.10136	6.9
147.04512	1.1
147.08063	3.7
147.11674	5.0
149.09564	2.3
149.13252	1.9
153.07021	1.1
155.08542	4.8
157.06519	7.8
157.10098	5.7
159.08084	8.1
159.11665	3.8
161.05980	3.8
161.13281	3.9
163.11211	1.3
163.14838	2.1
165.09129	14.6
167.08578	4.3
169.06505	4.8
169.10112	4.1
171.08058	11.2
171.11772	1.7
173.09665	1.7
173.13269	3.1
175.11136	1.2
175.14818	3.2
177.09077	1.4
177.12740	3.5
177.16414	1.8
179.08528	2.3
181.06514	1.4
181.10132	3.5
183.08046	6.1
183.11703	3.1
184.08745	1.3
185.09570	5.6
185.13197	2.6
187.11125	1.4
187.14821	3.3
189.12755	2.3
189.16342	6.8
191.14238	1.7
191.18002	2.5
193.10168	1.3
195.08054	3.7
195.11722	7.9
197.09613	3.2
197.13257	4.4
199.11284	1.8
199.14873	1.8
201.12708	5.0
201.16365	2.7
203.14284	3.6
203.16054	1.1
203.17953	1.6
205.12137	1.2
205.15898	1.1
207.17476	3.2
209.09575	3.0
209.13268	2.8
211.11246	4.7
211.12990	1.1
211.14871	1.8
213.12729	1.9
215.14342	1.5
215.18079	2.6
217.15945	2.3
219.11922	1.4
219.13818	4.0
223.11147	3.9
225.12769	3.4
225.16429	1.1
227.14342	6.9
229.15887	1.6
233.13268	1.3
233.15421	1.4
235.11166	2.4
235.14772	1.3
237.12726	8.4
239.14336	3.2
243.13805	2.4
255.13815	12.6
257.15460	1.1
262.41357	1.1
263.14221	1.1
273.14868	27.3
281.15305	3.6
283.16876	3.0
287.16501	1.6
295.16931	2.0
297.18561	1.4
299.16437	3.4
311.16400	3.7
331.20499	1.9
339.23050	5.2
349.21628	20.9
367.22699	43.7
368.22818	1.5
377.24603	1.8
385.23795	6.5
387.23251	1.8
395.25711	1.4
405.24136	9.1
405.31467	2.4
408.29953	2.4
423.25284	4.9
423.32477	11.3
441.21420	5.0
441.26324	100.0
441.33527	46.4
442.26767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46965	1.5
53.03953	3.2
55.05519	32.3
57.03450	7.8
57.07076	8.6
65.03935	2.1
67.05517	48.6
69.07076	38.8
69.36304	11.8
71.04984	3.9
71.08633	2.4
79.05507	22.0
81.07069	72.4
82.03288	1.2
83.04992	3.8
83.08637	26.7
85.06539	2.6
87.00856	10.1
91.05487	14.7
93.07056	31.8
95.04980	3.3
95.08622	100.0
97.06560	7.5
97.10175	16.4
98.20754	2.7
99.08078	2.3
105.01863	3.5
105.07047	23.7
107.08613	41.9
109.06506	2.4
109.10173	46.7
111.08101	4.3
111.11738	6.3
113.09628	2.0
115.03928	1.7
117.07076	3.6
119.08596	35.5
121.06541	1.6
121.09322	2.8
121.10160	41.0
123.08084	4.4
123.11720	21.4
125.09630	2.4
125.13259	1.9
128.51053	1.6
129.07101	1.6
131.07697	1.5
131.08546	8.0
133.06535	1.9
133.10159	26.7
135.08061	2.3
135.11708	29.1
137.09628	3.8
137.13246	7.4
139.11183	2.6
143.03377	3.9
143.08568	2.9
145.10155	16.4
147.08037	2.0
147.11713	19.2
149.09660	2.9
149.13268	17.6
153.12741	1.7
157.10147	5.5
159.11726	11.8
161.09602	2.1
161.13271	18.2
163.14856	15.2
165.12811	2.1
171.11736	7.3
173.09612	1.9
173.13304	10.6
175.14842	16.5
177.12910	1.5
177.16428	13.1
179.14301	2.5
183.11700	3.0
185.13287	4.8
187.14876	14.3
189.12753	2.8
189.16382	15.6
191.14297	2.7
191.18019	7.2
193.15851	2.5
197.13307	1.8
199.14827	2.5
201.16388	11.5
203.14339	4.2
203.18074	8.2
205.15941	3.7
207.17517	6.7
211.14813	2.0
213.16472	3.3
215.14389	3.2
215.17996	8.1
217.19597	2.6
219.17494	5.9
221.15347	2.2
227.17918	4.0
229.16066	1.8
229.19550	5.9
231.21283	1.6
233.15396	3.2
241.19530	3.5
243.20995	3.0
245.22681	12.3
247.17082	1.6
255.21104	3.2
261.18445	2.9
263.23807	18.5
269.22647	1.9
281.24799	5.6
285.22086	1.7
289.21732	1.7
292.12781	1.4
305.24771	4.3
316.33871	1.6
331.22653	4.9
337.27319	1.8
349.23798	22.8
355.28424	7.3
367.24908	4.9
377.32324	1.5
395.29019	2.3
395.33453	3.0
405.31326	4.7
405.35919	2.0
423.27631	5.4
423.32526	13.9
423.36786	4.5
441.28592	28.2
441.32806	13.3
441.37308	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	441.3364
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05507	7.2
57.07064	2.8
67.05509	11.4
69.07068	12.4
69.39001	3.0
69.39423	5.8
72.12603	1.1
77.03963	1.2
79.05486	7.5
81.07054	25.6
83.04966	3.2
83.08616	6.9
91.05485	11.5
93.07045	21.6
93.78563	1.1
95.04960	1.7
95.08608	55.6
97.06526	2.6
97.10186	1.4
105.07033	25.6
107.08596	33.8
109.06508	2.4
109.10155	17.6
111.08076	1.9
117.07010	3.5
119.08584	47.3
121.06476	3.0
121.10139	21.7
123.08080	3.8
123.11713	8.5
125.09618	1.5
127.07530	1.1
129.06953	2.6
131.08575	12.2
133.06502	1.5
133.10135	24.6
135.08060	3.2
135.11707	16.0
137.09604	2.2
137.13226	4.0
139.07504	4.7
143.08542	4.7
145.10133	20.7
147.08086	6.1
147.11693	19.2
149.13257	13.8
153.09071	1.4
157.10155	5.9
159.11705	16.4
161.09654	1.3
161.13254	15.4
163.11151	1.6
163.14812	22.2
165.09114	2.2
165.12700	2.0
167.10626	2.2
168.77905	1.4
169.10143	1.2
171.11658	4.2
173.13275	15.3
175.11269	2.6
175.14827	23.4
177.12793	3.4
177.16316	8.2
179.10687	1.5
179.14319	1.9
183.11705	3.1
185.13297	5.3
187.14832	22.4
189.12793	2.0
189.16391	43.2
189.18108	2.0
191.14282	2.4
191.17943	5.7
193.15855	1.7
197.13347	1.8
197.28233	1.1
199.14799	5.7
201.12708	4.0
201.16376	26.0
203.14316	4.1
203.17955	11.3
205.15889	3.8
207.17381	4.6
211.14749	2.5
213.16376	4.4
215.14378	2.7
215.17952	16.2
217.15923	7.0
217.19543	2.2
219.13785	4.6
219.17537	2.7
219.21042	1.2
225.16298	2.7
227.17938	4.5
229.19540	15.7
231.17522	1.5
233.15341	2.6
233.18875	1.5
235.16971	3.2
239.17888	3.0
241.19508	5.6
243.17509	1.6
243.21083	2.1
247.16963	9.5
247.20602	4.3
249.18549	1.8
253.19492	2.9
255.21214	1.4
261.18475	12.3
273.18567	2.5
273.21786	1.1
275.19977	3.2
281.22513	2.2
287.20026	2.7
301.63318	1.2
335.23636	1.3
345.27957	1.7
371.25653	5.8
377.32239	6.4
387.30402	3.6
395.33081	9.7
405.31412	9.1
408.30206	1.5
423.32465	39.7
424.21573	1.3
441.19183	2.9
441.33511	100.0
442.33817	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	441.3366
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03939	1.3
55.01864	1.0
55.05509	5.3
57.03401	1.0
57.07077	4.7
57.68026	0.9
60.19328	1.0
65.14153	1.1
67.05504	9.9
69.07077	11.2
79.05494	9.9
81.07058	25.9
82.32957	1.0
83.04952	1.5
83.08614	5.2
85.06509	2.4
91.05476	10.3
93.07049	23.4
95.04941	2.4
95.08613	40.8
97.06466	3.6
97.10110	3.1
99.08015	1.7
105.07037	19.1
107.04853	1.5
107.08598	39.2
109.06515	2.2
109.10159	29.4
111.08029	2.5
111.11668	1.5
117.06992	1.9
119.08588	33.1
121.06485	1.6
121.10147	26.8
123.07993	3.7
123.11713	13.5
125.05205	0.9
125.06001	10.2
125.09522	2.1
125.13259	1.2
131.08577	9.2
133.10133	31.1
135.07997	4.2
135.11703	34.8
137.09576	1.3
137.13272	9.4
139.07500	1.8
143.08493	3.2
145.06473	1.5
145.10103	8.2
147.07979	4.0
147.11697	15.7
149.09512	3.1
149.13260	12.7
151.07448	1.0
151.11102	3.5
151.14713	1.8
153.09004	3.3
157.10030	4.0
158.10808	1.1
159.07951	4.3
159.11729	7.0
161.09656	12.5
161.13222	11.0
163.07462	2.0
163.11128	1.8
163.14833	21.7
165.16307	1.3
167.10582	4.3
169.09935	1.3
171.11600	3.2
173.09529	4.1
173.13269	11.5
175.11124	1.2
175.14850	10.2
175.68332	1.0
177.09111	1.6
177.12683	2.2
177.16283	4.5
179.14255	1.7
183.11581	2.3
185.13144	3.0
187.11185	1.5
187.14842	6.0
189.16399	45.1
191.14188	3.8
191.16451	1.1
191.17969	13.3
193.15686	1.3
193.19441	1.1
195.13724	2.7
197.13156	2.9
199.14703	2.3
201.12775	21.8
201.16402	4.9
203.14250	1.2
203.17995	8.3
205.15846	1.6
205.19363	3.9
207.17453	79.9
213.16338	2.4
215.14320	56.1
215.17366	1.9
217.15932	7.4
217.19412	5.3
219.13812	35.5
219.17288	4.4
219.21031	6.1
221.74821	1.0
223.16774	1.4
227.14197	1.7
229.15733	3.4
231.20909	4.0
233.15382	26.7
233.18932	3.4
235.16876	2.3
245.22545	2.5
257.57993	1.1
261.21899	1.2
269.18799	3.6
303.23013	1.1
381.35153	1.4
405.31216	3.5
423.32349	26.4
441.33182	100.0
442.33667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3372
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.02383	0.5
53.03934	1.2
55.01869	1.4
55.05515	4.2
57.03432	1.0
57.07071	1.5
61.02921	0.7
65.03942	0.9
67.05513	7.3
69.03443	4.3
69.07073	8.1
70.04832	1.2
70.05217	1.9
70.07368	0.8
71.04966	0.8
71.08636	0.7
73.02918	2.7
77.39736	0.5
79.05070	0.7
79.05498	6.5
81.03413	1.1
81.07063	15.9
81.55937	0.5
83.04967	1.9
83.08642	3.3
85.02913	5.1
85.06561	1.7
91.03984	0.7
91.05488	7.8
93.07055	19.5
95.05004	1.5
95.08620	23.5
97.02883	1.3
97.06547	2.0
97.10195	1.2
98.97582	0.8
102.06110	0.6
103.05501	1.0
105.07043	13.1
107.04985	0.9
107.08607	19.2
109.02954	1.4
109.06524	2.5
109.09454	1.1
109.10165	13.0
111.08093	2.0
111.11720	1.8
112.07628	1.1
115.03912	0.9
117.07049	2.3
119.04928	1.5
119.08599	12.4
121.06509	1.7
121.10155	13.4
123.04482	0.9
123.08054	1.8
123.11697	5.9
127.03924	2.2
127.11213	0.6
129.07031	1.2
129.12733	0.7
130.07770	0.6
131.08586	5.3
133.04984	0.8
133.06496	1.1
133.10146	9.8
135.08018	2.7
135.11707	13.8
137.05991	1.3
137.09610	1.2
137.13277	2.7
139.03900	1.2
141.06984	0.9
142.07765	1.3
143.08548	3.3
144.09392	0.7
145.04959	1.4
145.06546	1.4
145.10146	10.4
147.04422	10.9
147.08052	2.7
147.11708	8.4
149.09636	1.0
149.13263	5.1
151.03923	0.6
151.07603	1.2
151.11328	0.7
153.01849	1.2
153.09135	0.8
155.08594	1.3
157.10118	4.2
158.10768	0.7
159.08076	5.9
159.11717	6.7
161.09566	3.3
161.13264	6.1
163.11171	1.1
163.14830	2.0
165.09087	1.4
169.08884	0.6
169.10178	2.2
171.08078	1.0
171.11728	3.8
173.09627	4.2
173.13275	7.0
175.07568	0.8
175.11214	2.5
175.14845	2.5
177.12811	1.2
177.16492	1.2
181.10190	1.5
182.10881	0.8
183.11719	2.2
185.09671	1.7
185.13304	4.3
186.10507	1.2
187.11253	3.0
187.14839	4.3
189.09198	0.9
189.12787	1.3
189.16391	9.3
191.07161	0.6
191.14334	1.6
191.17969	16.4
193.12234	0.8
195.11740	1.3
197.09482	0.7
197.13229	1.6
199.11241	2.4
199.14827	2.0
201.12779	8.2
201.16499	3.4
203.10681	0.6
203.14342	5.4
203.18002	4.4
205.12198	1.3
205.15840	0.8
207.17537	1.7
209.09563	0.7
209.13354	1.3
209.15295	0.9
211.11243	2.3
211.14876	1.1
213.12779	2.1
213.16454	1.5
215.14368	7.7
215.17931	1.0
217.12239	0.6
217.15898	2.3
217.19550	1.4
219.13820	11.9
219.17389	0.6
221.15411	0.8
223.14861	0.8
225.16408	1.2
227.14340	1.9
227.17990	1.0
229.15805	1.4
229.19487	0.8
231.13838	1.5
233.15398	9.0
235.16953	0.9
239.18047	0.9
241.15912	1.8
241.19675	0.9
245.11865	0.7
245.15318	0.6
245.19058	1.1
249.14792	4.2
251.18115	1.0
253.15990	1.7
255.17410	1.7
259.16943	1.2
262.17194	0.7
264.36398	0.7
267.17596	1.0
269.19016	1.6
271.16968	1.1
271.20444	0.7
273.18542	2.5
279.15811	3.9
285.18430	1.0
309.09756	1.4
309.21872	0.8
377.32092	1.1
387.30252	0.9
393.31628	1.5
395.33218	0.8
398.28485	0.7
405.31604	7.6
423.32642	35.2
441.16562	1.7
441.21219	10.7
441.33670	100.0
442.33987	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	441.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.5
57.07062	5.2
59.05015	3.2
62.18310	2.5
65.03959	4.1
67.05502	26.2
69.07076	27.3
70.70129	8.3
71.04968	4.4
79.05501	18.0
81.07061	49.0
83.04993	5.5
83.08617	13.1
85.06533	5.3
91.05476	18.0
93.06568	3.5
93.07057	43.2
95.05022	3.8
95.08611	93.1
96.08878	3.7
97.06511	5.1
97.10168	7.6
105.07046	36.1
107.08598	71.1
109.06508	6.9
109.10166	52.8
110.81558	3.3
111.08101	4.0
117.06967	6.3
119.08599	58.9
119.09394	2.2
121.06502	5.5
121.10153	47.6
123.08076	40.5
123.11700	21.6
125.09626	7.0
129.06969	5.1
131.08580	17.6
133.10126	37.4
135.08060	10.9
135.11714	58.4
137.09660	6.1
137.13258	7.3
145.06447	4.8
145.10136	28.5
147.11703	38.4
149.09616	3.5
149.13272	30.2
155.08614	3.1
157.10150	6.3
159.11685	24.6
161.13280	20.8
163.11165	3.7
163.14807	18.3
165.09135	6.8
169.10155	4.1
171.11682	8.8
173.13271	23.8
175.11215	3.5
175.14877	17.4
177.16385	12.7
179.14249	3.8
185.13301	9.2
187.14896	16.1
189.16408	67.5
191.17996	24.3
193.15958	4.2
199.14801	3.8
201.16393	23.7
203.14349	7.5
203.17961	10.6
205.15938	7.7
207.17450	100.0
213.16350	4.8
215.17961	13.2
217.19589	5.3
219.13971	6.4
219.17453	90.4
225.16385	3.3
227.17863	6.2
229.19547	7.4
233.19017	14.4
241.19435	4.3
243.21002	4.1
255.21086	6.1
273.22238	4.8
313.00345	3.4
330.84811	3.7
353.93512	2.9
395.33099	4.4
405.31418	5.9
423.32034	18.4
423.36591	10.6
441.32657	22.4
441.37204	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.76704	0.8
55.05505	2.8
57.03422	0.9
57.07053	1.1
60.92790	0.7
63.95296	0.7
65.34814	0.9
67.05491	3.7
69.07061	3.6
69.16666	6.9
69.17066	1.5
79.05486	2.9
81.07056	7.4
83.08618	2.2
85.06524	1.1
86.21313	0.8
91.05476	3.4
93.07049	7.6
95.08605	26.4
97.10151	0.8
98.20797	2.2
101.63478	0.8
105.07027	8.6
107.08590	18.9
109.06474	1.2
109.10155	7.9
111.08052	0.9
119.07793	1.5
119.08588	16.1
121.06496	0.8
121.10139	7.1
123.08064	40.2
123.11714	2.7
125.09665	4.6
131.08540	2.1
133.10123	17.8
135.08057	4.0
135.11685	26.2
137.09616	1.6
145.10083	5.7
147.11688	21.7
149.09641	1.2
149.13258	3.4
151.11186	3.3
159.11682	4.0
161.13252	4.9
163.14780	5.6
165.12697	1.4
173.13274	8.5
189.16373	42.8
191.17969	1.2
201.16396	14.4
207.17439	95.2
208.17825	1.3
219.17436	100.0
252.68396	0.9
301.25153	1.2
330.55460	0.8
423.36038	2.3
426.34460	1.0
441.37271	60.2
442.37497	1.5
451.78445	0.9
455.37390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.15763	0.7
53.03945	0.8
55.05503	3.7
57.07071	1.2
67.05511	4.6
68.77959	0.7
69.07076	8.3
69.43815	5.6
79.05511	3.9
79.77246	0.9
81.07060	14.1
83.08620	3.3
91.05482	3.1
93.07045	10.3
95.08614	24.8
97.06538	0.9
97.10168	2.3
98.20753	1.5
105.07024	7.9
107.08594	19.7
109.06550	4.1
109.10163	16.9
109.10925	0.9
110.03211	0.8
111.08092	2.4
111.11720	2.3
112.31277	0.7
117.07043	0.9
119.08595	16.8
120.08945	0.7
121.10148	16.4
121.76065	0.7
123.08084	4.0
123.11719	5.4
124.64510	0.9
125.09637	1.2
131.08548	3.6
133.10136	15.4
135.08092	1.7
135.11708	23.1
135.12723	1.4
137.09683	2.5
137.13304	3.1
143.08566	1.3
145.10138	10.2
147.11713	11.2
149.09639	1.3
149.13264	6.0
151.11240	1.8
153.12793	0.9
157.10249	1.0
159.11700	6.5
161.13269	6.4
163.11168	0.9
163.14865	5.6
163.16039	1.0
171.11761	1.3
173.13268	4.6
175.14842	4.2
177.16455	2.4
179.14304	1.4
185.13283	1.3
186.75816	0.8
187.14841	2.7
189.16397	29.6
191.17970	6.2
196.68375	0.7
199.14777	0.9
201.16388	28.0
203.14322	0.8
203.17917	4.5
204.27081	0.7
205.19788	1.1
207.17459	35.3
213.16444	1.9
215.17944	6.9
217.19519	1.2
219.17455	59.9
227.18024	1.3
229.19598	2.7
233.19064	1.2
241.19582	0.8
243.21223	1.7
255.21280	0.9
267.21094	1.0
269.22711	3.3
283.24234	1.3
292.25455	0.9
301.25369	3.0
327.61029	0.8
405.35245	3.0
423.36285	23.6
424.36810	1.2
424.92249	0.8
441.37384	100.0
442.37689	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	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03957	0.8
55.05511	4.1
57.07072	1.4
67.05518	4.7
69.07064	8.2
79.05491	4.8
81.07062	14.7
83.08620	3.4
85.06544	1.5
91.05474	3.5
93.07050	11.1
95.08608	22.0
97.06527	1.6
97.10141	2.0
105.07026	8.3
107.08601	22.2
109.06514	4.5
109.10153	17.4
111.08100	1.3
111.11724	2.2
119.08588	16.3
121.10143	15.6
123.08074	4.2
123.11721	6.4
125.09631	1.0
131.08595	3.2
133.10126	15.9
133.11086	1.1
135.08083	1.5
135.11691	24.6
137.09627	2.1
137.13229	2.4
143.08656	1.1
145.10115	11.4
147.11697	11.0
149.09628	1.0
149.13269	6.0
151.11200	2.1
157.10106	1.8
159.11681	7.3
161.13252	4.9
163.14810	4.8
171.11702	1.9
173.13274	4.2
175.14857	2.6
177.16435	2.4
183.11852	0.8
187.14862	2.8
189.16373	27.7
191.17953	5.7
199.14825	1.8
201.16386	28.1
203.17914	3.7
205.19699	1.2
207.17442	36.8
213.16402	2.4
215.17979	6.5
217.19588	1.2
219.17438	54.3
229.19559	1.7
233.18925	0.9
241.19423	1.5
243.21037	1.8
252.69685	0.8
269.22598	2.2
283.24298	2.1
301.25330	2.6
405.35132	3.7
423.36282	22.5
424.36154	1.0
441.37332	100.0
442.37686	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	441.3726
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.90345	0.3
55.05507	1.3
56.56986	0.3
57.07076	0.6
60.33707	0.3
67.05500	1.8
67.18551	0.4
69.06738	0.3
69.07076	4.1
70.78790	0.5
70.79098	0.4
74.38641	0.3
79.05490	1.4
81.07062	5.6
83.04987	0.9
83.08617	2.1
91.05463	1.2
93.07044	3.5
95.04945	0.5
95.08607	10.4
97.06463	0.4
97.10206	0.6
105.07040	2.8
107.08598	7.5
109.06511	1.2
109.09460	0.6
109.10162	5.9
111.08090	0.6
111.11712	0.7
119.08583	4.0
121.06484	0.7
121.10131	5.7
121.10922	0.5
123.08057	1.2
123.11704	4.6
125.09601	0.4
125.13300	0.6
131.08568	1.3
133.10147	3.8
135.08069	3.9
135.11702	5.1
137.09627	0.9
137.13237	2.4
143.08522	0.7
145.10139	1.4
147.08084	0.5
147.11716	2.8
149.09621	8.4
149.10753	0.6
149.13266	2.4
151.11212	0.4
151.14749	0.4
157.10156	0.6
159.11731	1.6
161.09627	0.5
161.13251	1.9
163.11176	1.0
163.14832	1.2
171.11755	0.5
173.13274	1.1
175.11227	0.7
175.14891	1.9
177.12700	0.6
177.16377	2.4
178.10130	0.3
179.14307	0.5
185.13191	0.5
187.14827	1.2
189.12749	0.4
189.16388	3.1
191.14333	0.6
191.17946	1.1
199.14742	0.6
201.16354	0.8
205.15895	0.5
205.19519	0.7
207.17549	0.6
213.16380	0.4
215.17882	1.5
217.15982	0.6
217.19450	0.5
219.17471	0.6
229.19481	0.7
231.17516	0.6
233.19061	1.8
235.16881	2.7
243.21088	0.5
245.22716	0.4
247.20518	0.6
259.20816	0.4
261.22055	0.5
267.21085	0.4
269.22708	0.3
273.22055	0.6
285.22162	0.5
287.23636	3.9
303.23264	0.6
322.42761	0.3
405.35245	0.6
423.36044	1.2
441.37286	100.0
442.37692	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	441.3726
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05510	5.8
56.37025	0.9
56.73320	0.9
56.92737	0.9
57.07069	2.0
57.92820	0.9
64.94353	0.9
67.05500	9.4
69.07066	9.8
69.50603	7.2
75.27086	1.0
79.05495	5.3
79.30035	0.9
81.07063	17.9
83.08632	5.1
83.46606	0.9
85.06532	2.8
91.05477	5.5
93.06484	1.5
93.07048	16.1
95.08611	42.4
97.06512	2.3
97.10167	3.2
98.21533	1.9
99.08097	1.2
105.07027	14.5
107.08598	35.7
109.06525	1.7
109.10150	19.9
111.08073	1.3
119.08585	25.4
121.10143	18.6
121.63152	1.1
123.08070	43.2
123.11705	10.9
125.09642	4.3
131.08549	3.7
133.10124	26.0
135.08060	6.7
135.11697	35.0
137.09605	3.5
137.13254	2.9
143.83032	1.0
145.10117	8.6
147.10507	1.6
147.11694	31.5
149.09637	3.0
149.13251	6.7
151.11186	4.0
159.11652	6.9
161.13286	6.6
163.11250	1.5
163.14841	9.7
165.09172	1.3
167.10693	1.2
173.13271	9.4
175.14828	3.5
177.12784	1.0
177.16359	1.6
181.04646	1.1
181.12231	2.4
187.14793	3.1
189.16389	51.6
191.17857	4.8
201.16383	19.4
201.18236	1.0
203.17949	4.3
205.19566	2.8
207.17444	100.0
208.17841	1.5
217.19536	4.1
219.17447	97.0
223.16904	2.0
229.19447	1.6
231.21082	1.2
237.18469	2.1
243.21106	1.4
245.22713	1.6
255.21019	1.5
282.31155	1.1
301.25192	2.2
337.93109	1.1
359.67456	1.0
423.36340	4.0
441.37292	69.6
442.37979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
50.37066	1.3
53.03943	2.4
53.80966	1.5
55.05506	13.6
57.07058	6.3
64.75288	1.4
67.05168	2.2
67.05509	29.5
69.06723	2.4
69.07072	28.8
69.30473	12.8
69.33891	1.8
71.04996	1.8
71.08639	2.0
76.47098	1.4
79.05495	16.4
81.07062	52.5
83.04993	3.0
83.08622	12.4
85.06558	1.8
91.05485	19.3
92.05794	1.5
93.06472	2.9
93.07047	40.7
95.04932	2.8
95.08613	91.1
97.06537	2.0
97.10167	9.1
105.07030	49.4
107.08600	62.8
109.06532	2.6
109.10162	66.2
111.08056	4.4
111.11722	2.5
117.07043	7.4
119.08587	64.2
120.08951	1.8
121.06548	2.0
121.10149	54.4
123.08075	5.0
123.11722	25.7
125.13366	1.3
129.07051	1.8
131.08565	21.6
133.10130	38.2
135.08073	3.6
135.10695	2.3
135.11697	44.8
137.09583	3.5
137.13257	19.5
139.11186	2.0
143.08533	8.1
144.09328	1.7
145.10127	30.5
147.04337	1.7
147.08054	2.7
147.11690	31.6
149.09630	2.0
149.13271	37.7
151.11208	2.6
151.14816	3.0
155.08549	1.9
157.10156	7.8
158.10895	2.0
159.10472	2.3
159.11703	34.8
160.12477	1.9
161.09573	2.4
161.13274	22.5
163.11183	1.9
163.14830	20.6
165.09042	4.0
165.12801	2.0
167.08502	1.7
171.11736	9.9
173.13261	24.6
175.11223	3.5
175.14841	27.2
177.09386	1.7
177.12747	4.0
177.16399	14.4
179.14328	12.8
183.11893	1.4
185.13205	4.7
186.13921	1.7
187.14839	22.3
189.16391	34.2
191.14342	4.0
191.17964	30.8
192.18301	1.7
193.15860	10.8
199.14906	11.3
201.16385	18.4
203.14288	2.3
203.17967	37.6
205.12309	1.9
205.15898	19.2
205.19548	18.4
207.17459	14.5
211.14822	2.2
213.16422	7.7
215.14597	1.7
215.17969	38.5
217.15967	7.9
217.19513	12.8
219.13954	2.3
219.17404	9.9
219.20963	2.2
221.18999	5.9
225.16403	1.8
227.17892	6.3
229.19545	10.8
231.17523	3.9
231.21176	4.3
233.19019	46.7
235.16911	8.2
241.19467	3.6
243.21149	7.7
245.18967	2.5
245.22595	2.3
247.20532	7.8
249.18526	5.2
253.19424	2.7
255.21085	8.2
257.22720	1.7
261.22095	3.2
267.21036	2.0
269.22635	3.1
271.24265	1.7
273.22220	7.6
281.22601	2.2
285.22076	1.8
318.47723	1.4
347.87378	1.8
367.30286	1.6
393.35150	2.0
405.35373	13.7
411.36133	3.4
423.36417	52.2
441.26816	2.8
441.37637	100.0
442.37708	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	441.3732
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05514	7.4
57.03425	1.4
57.07074	2.6
60.30882	1.1
61.00694	1.2
67.05506	12.8
69.07071	9.4
71.04967	2.1
71.54747	2.1
79.05495	7.0
80.97172	1.3
81.07056	20.2
83.04971	1.3
83.08627	5.1
85.06545	2.9
91.05476	9.1
92.23395	1.3
93.07049	18.5
95.04982	1.5
95.08611	53.9
97.06508	2.1
97.10182	2.4
101.86304	1.6
105.07041	19.8
107.08601	38.5
109.06510	3.2
109.10163	20.7
111.08077	2.6
117.06992	2.5
119.08584	32.4
121.06490	1.8
121.10157	20.1
123.08075	42.6
123.11694	9.4
125.09612	4.5
131.08566	6.0
133.06490	1.5
133.10141	27.3
135.08083	7.2
135.11699	42.6
137.09628	3.6
137.13251	2.3
143.08540	2.4
144.46461	1.4
145.10103	15.5
147.11685	31.2
149.09583	4.7
149.13243	9.9
151.11176	2.9
157.10126	3.1
159.11696	10.6
161.09668	1.7
161.13307	10.5
163.11131	2.3
163.14825	10.3
165.09088	2.1
169.10120	2.4
171.11690	4.1
173.13286	12.1
175.14835	7.4
177.12715	1.8
177.16367	3.7
179.14308	2.0
183.11705	2.1
185.13173	2.6
187.14856	6.7
189.16385	51.6
191.14394	1.3
191.17986	6.2
197.13240	1.3
199.14841	1.5
201.12729	1.6
201.16386	18.7
203.14209	2.2
203.17963	3.0
205.15974	2.6
207.17455	100.0
213.16313	3.2
215.17923	3.8
219.17447	88.1
220.17918	1.6
223.14847	1.8
223.16953	1.6
227.17952	1.5
229.19495	2.6
233.19028	2.2
235.17168	1.5
239.18146	1.8
242.57591	1.4
295.39325	1.2
405.31207	1.9
423.32040	4.3
423.36273	6.0
441.37997	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
50.04118	1.8
53.03933	3.0
55.05514	14.1
55.65240	2.0
57.03449	2.2
57.07071	5.4
61.91367	2.1
67.05508	22.5
68.49702	1.9
69.03433	2.4
69.07066	26.8
69.39559	4.7
69.39958	16.2
71.08639	4.0
77.97923	2.1
78.49174	1.9
79.05492	12.4
81.07058	53.0
83.08616	13.3
85.06548	2.3
91.05473	17.1
93.07048	38.8
95.08608	89.8
97.06511	5.6
97.10166	10.0
105.07034	47.6
105.07683	3.7
107.08598	60.5
109.06576	2.8
109.10159	66.5
111.08083	2.5
111.11748	3.1
113.46375	2.1
117.07010	9.8
119.08575	56.0
121.06495	3.7
121.10146	51.2
123.08105	2.4
123.11713	25.0
131.08557	20.5
133.10129	41.6
135.11705	37.5
137.13222	18.0
142.07803	2.4
143.08562	5.1
144.09286	2.4
145.10115	33.5
147.11676	28.0
149.13266	40.6
151.11189	4.4
151.14841	3.4
156.09366	2.8
157.10165	8.1
159.11696	34.8
161.13254	32.2
163.11156	2.4
163.14830	16.9
165.12784	3.4
171.11743	6.8
173.13278	26.6
175.14821	28.8
177.16391	18.8
179.14357	8.7
185.13275	8.2
187.14845	27.2
189.16382	37.8
189.17912	3.5
191.14378	4.3
191.17943	35.0
193.15927	15.5
199.14879	8.1
201.13158	1.8
201.16386	21.5
203.14417	4.5
203.17961	39.9
205.15872	19.3
205.19514	16.1
207.17430	15.3
213.16408	7.1
215.17960	45.6
216.12231	2.2
216.35657	2.3
217.15994	6.3
217.19498	12.6
219.17450	13.2
219.21054	2.3
221.19054	8.2
227.17969	4.2
229.19481	13.0
231.17529	3.9
231.21107	3.2
233.19017	49.4
235.16986	5.1
241.19548	3.3
243.21048	11.1
245.22740	4.4
247.20509	11.1
249.18321	2.7
255.21187	9.4
257.22858	4.8
261.22125	2.5
269.22754	6.5
273.22217	10.0
281.22824	3.1
283.24551	2.5
287.23654	2.9
295.24518	2.5
385.91122	2.1
388.00357	2.0
405.35318	12.0
411.36075	5.2
423.36261	55.9
441.37387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.28596	2.1
55.05513	15.0
57.07071	8.8
59.79762	1.9
62.74108	2.0
67.05511	25.9
69.07069	28.1
69.56485	15.3
71.08623	2.1
74.99162	2.3
79.05491	18.6
81.07063	65.7
83.08607	14.2
91.05473	19.8
93.07051	49.5
95.08611	100.0
97.06546	3.4
97.10183	12.3
98.20736	2.3
99.60797	2.2
102.32075	2.4
105.07034	67.7
107.08599	69.3
109.06531	5.0
109.10165	73.2
111.08071	6.0
111.11756	3.6
117.07022	14.0
119.08582	72.1
121.09322	4.1
121.10149	60.1
123.08029	3.4
123.11716	29.9
125.09619	3.2
130.07773	2.6
131.08568	25.8
133.10135	50.1
135.08008	4.9
135.11705	47.1
137.09607	2.4
137.13226	17.2
143.08553	6.5
144.09390	4.4
145.10136	43.5
147.11696	34.4
149.13264	40.6
151.11197	6.3
151.14809	2.5
157.10139	8.3
159.11708	53.6
161.09656	3.2
161.13269	32.1
163.11238	5.4
163.14842	19.6
165.09131	2.0
165.12756	2.5
171.11697	7.9
173.13293	25.6
175.11234	3.7
175.14839	34.6
177.12773	8.1
177.16451	19.6
179.14340	8.7
183.11626	3.3
185.13264	4.3
187.14844	23.7
189.16402	44.2
191.14351	7.3
191.17967	72.2
193.15863	12.3
199.14821	6.9
201.16348	21.2
203.14256	5.5
203.17960	41.9
205.15936	16.7
205.19504	20.6
207.17435	10.8
211.14876	2.4
213.16382	5.1
215.17966	70.8
217.16011	10.1
217.19489	15.9
219.13939	2.9
219.17538	12.6
219.21017	3.5
221.19008	5.4
227.17944	5.2
229.19516	12.0
231.17430	7.6
231.21107	7.1
233.19016	65.1
235.16978	6.9
241.19501	4.1
243.21172	7.7
247.20497	5.9
249.18451	4.4
251.19942	2.5
255.21074	4.8
257.22440	3.2
273.22092	4.8
287.23395	2.1
335.14972	2.1
393.34787	3.0
405.35007	11.7
411.36288	3.6
423.36490	46.0
441.32553	10.4
441.38138	79.6
463.03873	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	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05513	4.3
57.07071	2.1
67.05503	8.2
69.03439	1.0
69.07069	9.4
69.89757	4.0
76.16937	0.7
79.05495	6.4
81.07063	18.7
83.04967	1.1
83.08625	5.1
84.05628	0.8
91.05466	6.4
93.07049	14.1
94.07369	1.1
95.04976	1.3
95.08616	28.1
96.08958	0.8
97.06528	1.1
97.10218	1.5
97.43978	0.7
99.08096	1.3
105.07048	8.7
105.32156	0.7
107.08601	23.3
109.06496	1.0
109.09465	1.4
109.10165	18.5
111.08099	1.6
111.11703	1.5
119.08585	14.7
120.08899	0.9
121.06486	1.9
121.09310	1.5
121.10150	15.9
123.08094	6.7
123.11710	11.5
124.12078	0.9
125.09631	2.2
131.08562	4.9
133.10147	14.6
134.10464	1.6
135.08054	4.3
135.11700	15.9
136.12109	1.0
137.09612	1.9
137.13268	4.7
143.08528	1.8
145.10129	7.5
147.11694	10.5
149.09636	2.6
149.13268	7.2
151.11153	1.3
151.14912	0.8
153.09158	1.2
157.10161	2.4
159.11696	6.4
161.13280	8.2
163.14836	5.0
165.12776	0.8
169.10107	1.1
171.11746	1.9
173.13228	5.4
175.11206	1.0
175.14882	5.0
176.15025	0.8
177.12735	1.3
177.16406	2.4
179.14296	3.6
183.11690	0.9
185.13266	1.4
187.14882	3.4
189.12790	1.1
189.16411	9.5
190.16742	0.8
191.14325	3.0
191.17967	3.8
199.14806	2.3
201.16425	6.3
203.14247	1.0
203.18025	4.6
204.18398	1.6
205.15846	1.8
205.19527	1.7
207.17439	8.5
209.15338	1.9
213.16481	1.9
215.17989	2.7
217.16017	1.1
217.19531	2.2
219.17441	9.8
229.19504	3.0
230.19998	0.8
231.17407	1.4
233.15234	1.2
233.18950	1.1
235.16945	1.5
241.19611	1.4
245.19072	1.3
245.22766	0.9
257.22675	1.1
267.21136	0.9
285.22076	1.4
316.13010	0.8
392.15182	0.8
405.30661	1.1
405.35269	2.5
423.31906	8.3
423.37119	2.1
441.32712	100.0
441.38068	21.3
442.33298	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	441.3726
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03943	3.5
55.05505	25.9
57.03413	4.7
57.07065	9.0
67.05506	37.2
68.51363	2.8
69.07066	39.1
71.04977	7.1
74.58272	3.4
79.05503	29.7
81.07059	59.4
83.05005	4.3
83.08618	14.8
85.06535	4.0
91.05486	24.4
93.07043	50.1
95.04961	4.8
95.08606	100.0
95.30495	3.3
97.06541	7.4
97.10159	6.8
105.07030	52.3
107.08588	73.4
109.06502	5.6
109.10159	68.6
111.08078	6.4
111.11721	4.9
116.62131	2.8
117.07024	13.4
119.08577	73.0
121.06512	4.5
121.10146	56.4
123.08070	6.8
123.11713	29.2
125.09628	4.7
131.08560	29.2
133.06534	3.6
133.10120	54.8
135.11699	37.2
137.09619	6.2
137.13248	9.7
137.43556	3.0
143.08588	13.1
145.06485	19.1
145.10118	42.6
147.10603	5.6
147.11685	35.1
149.13264	28.2
155.08522	4.5
157.10106	9.3
159.08078	3.7
159.11700	47.2
161.13235	33.5
163.14806	27.7
165.09131	7.4
169.10159	3.0
171.07993	5.6
171.10432	3.1
171.11713	13.5
173.13280	27.0
175.14813	34.6
177.16393	14.8
179.14305	13.3
185.13319	9.0
187.14832	26.3
189.16400	40.4
191.14348	4.5
191.17931	39.6
193.15939	9.6
195.11758	4.8
199.14847	5.3
201.16367	18.8
203.14337	6.4
203.17963	45.5
205.15913	22.3
205.19516	11.2
207.17401	18.9
212.06819	4.4
213.16371	5.8
215.17949	54.2
217.19501	10.6
219.17526	15.0
221.19016	10.6
225.16277	3.4
227.18050	5.5
229.19511	15.5
231.17542	5.7
233.18994	63.5
243.21172	10.5
247.20622	11.8
255.13782	4.1
255.21078	8.6
257.22601	4.0
259.20575	4.6
261.22134	3.3
270.29382	3.2
273.14868	9.7
273.22131	10.8
281.22717	4.1
349.21606	5.2
350.22372	3.5
367.22534	12.2
383.32782	3.5
405.35294	9.3
423.36523	40.0
441.26657	35.3
441.37943	80.2
442.37738	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05509	8.9
57.07067	6.1
59.83261	0.8
65.03928	1.1
67.05509	13.7
69.03422	1.4
69.06734	1.5
69.07071	18.9
69.47848	6.6
71.04978	0.9
71.08633	1.2
79.05492	12.8
81.06586	1.9
81.07059	37.9
83.04997	1.6
83.08624	9.8
85.06541	2.3
91.05473	10.5
93.06477	1.8
93.07043	30.6
95.04933	2.2
95.08610	53.5
97.06509	2.9
97.10170	4.1
99.08126	1.0
105.07034	25.4
107.04955	1.3
107.08598	51.6
109.06513	3.2
109.10158	36.9
111.08085	2.4
111.11716	2.3
117.07008	2.8
119.08585	39.3
121.06496	3.3
121.10145	39.1
123.08063	4.0
123.11704	16.4
125.05999	10.7
125.09663	1.1
129.06992	1.2
131.08575	9.9
133.10132	32.7
133.31816	1.0
135.08041	3.7
135.10693	2.3
135.11699	41.5
137.09599	2.5
137.13260	12.5
139.07533	3.8
139.11197	1.1
142.07687	1.0
143.08537	3.3
145.10132	10.3
147.08028	4.0
147.11694	23.3
149.09599	3.6
149.13260	17.4
151.11176	3.7
151.14830	3.7
153.09093	4.2
155.08580	1.4
157.10159	5.0
159.08051	4.3
159.11705	7.5
161.09634	12.3
161.13271	13.0
163.07628	1.7
163.11160	1.2
163.14830	26.7
165.12720	1.3
165.16347	1.3
167.10698	6.3
168.09297	1.2
169.10118	2.1
171.11699	4.1
173.09569	5.0
173.13268	13.9
175.14798	12.4
177.09103	1.5
177.12698	4.6
177.16354	8.1
179.14401	1.2
181.12218	2.4
183.11647	1.6
185.13245	3.8
187.14890	6.5
189.12791	1.7
189.16393	43.9
189.18120	2.2
190.16658	1.5
191.14287	3.5
191.17947	19.7
193.12260	1.7
193.15936	1.8
195.13768	3.9
197.13203	3.8
199.14841	2.2
201.12735	20.1
201.16328	4.7
203.14221	2.1
203.17960	11.4
205.15857	3.4
205.19476	4.5
207.17448	80.5
208.17770	1.3
209.15431	1.0
213.16353	2.5
215.14316	52.7
215.17816	2.6
217.15968	6.7
217.19482	9.4
219.13814	30.7
219.17407	4.1
219.21030	8.6
223.16925	1.7
227.18196	1.3
229.15927	2.5
229.19612	1.6
231.17365	2.5
231.21002	5.0
233.15370	23.8
233.19046	3.2
235.16928	3.8
243.17570	2.0
245.22656	3.9
249.18558	1.2
255.21094	1.8
257.22729	1.5
261.22168	2.8
269.18927	3.0
271.20355	1.1
271.24014	1.3
283.20535	1.8
301.21631	1.3
317.24817	1.9
381.35275	4.8
385.31091	1.6
405.31525	2.9
423.32144	24.6
441.32971	100.0
442.33646	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	441.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.6
56.92043	3.8
57.07066	5.4
67.05502	28.4
69.01993	3.7
69.07068	32.5
72.42667	3.8
79.05483	21.7
81.07057	55.9
83.08601	11.8
85.06529	9.0
91.05473	33.8
93.07043	45.6
95.04974	5.0
95.08604	100.0
97.06497	4.6
97.10183	9.9
98.21501	9.4
105.07031	56.5
107.08598	88.5
109.06475	10.1
109.10158	72.5
111.08060	6.7
111.11732	5.7
115.05463	4.0
117.06978	11.6
119.08591	68.8
121.06517	4.2
121.10141	63.2
123.08075	5.5
123.11684	27.2
124.03418	3.9
131.08554	28.6
133.10130	56.7
135.08096	6.7
135.11685	49.7
137.09608	9.3
137.13239	13.6
139.07571	4.6
142.07837	5.0
143.08549	12.2
145.06488	6.3
145.10109	48.1
146.10889	4.6
147.11690	46.2
149.09605	6.9
149.13264	35.3
156.09349	4.0
157.10072	12.2
159.07925	4.7
159.11707	38.7
161.13255	36.4
163.11192	4.1
163.14801	29.4
165.09119	16.3
169.10109	6.6
171.11732	14.4
173.09668	6.2
173.13255	38.5
175.14824	42.0
177.12643	6.0
177.16451	19.6
179.14287	11.5
183.11708	7.8
185.13239	13.6
187.14851	31.8
189.16376	50.0
191.14357	6.1
191.17981	22.0
193.15807	5.6
199.14792	11.1
201.16360	25.3
203.14320	13.0
203.17935	44.2
205.15976	10.8
205.19537	15.7
207.17444	32.4
213.16374	13.0
214.71288	4.2
215.18007	40.1
217.19572	12.6
219.17551	5.1
221.19031	9.0
225.16336	5.9
227.17958	9.3
227.91034	5.1
229.19536	12.9
233.19022	46.9
235.89362	4.4
241.19571	5.9
243.21088	14.5
245.19261	5.1
247.20552	11.6
255.21066	15.2
261.22198	6.1
269.22757	6.1
273.22137	15.0
283.24072	4.7
342.66208	4.3
395.36859	4.5
405.31085	5.2
405.35532	7.2
411.36148	5.6
423.31970	17.1
423.37262	33.0
441.32214	13.5
441.37195	82.0
452.20059	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03942	3.6
55.05515	16.9
57.03436	3.2
57.07064	9.3
58.85207	1.9
59.04698	2.2
61.90918	2.1
67.05504	27.7
69.07077	32.3
69.83249	6.4
69.83660	4.5
71.08625	2.7
73.36043	1.9
75.38357	2.4
75.95536	1.9
79.05492	18.5
81.07063	59.1
83.04980	2.9
83.08628	14.9
85.06566	3.9
91.05476	12.5
93.07052	36.6
95.04964	3.3
95.08613	100.0
97.06544	3.4
97.10173	9.3
105.07036	36.5
106.22449	2.5
107.08602	62.7
109.06494	4.7
109.10167	62.8
111.08089	6.2
111.11703	5.9
117.07003	6.1
119.08591	59.6
121.06509	2.4
121.10152	56.4
123.08077	6.3
123.11718	34.8
125.09660	3.9
127.11240	2.4
131.08582	14.7
133.10143	42.9
135.08089	3.6
135.11720	36.3
137.09656	5.9
137.13292	17.3
139.11185	3.2
142.07718	2.0
143.08598	5.5
145.10139	27.3
147.08052	5.3
147.11697	29.9
149.13278	24.3
151.11183	2.6
151.14845	5.2
153.09138	2.0
156.09286	2.4
157.10098	12.5
158.10962	3.0
159.11697	24.6
161.09637	3.7
161.13248	21.6
163.11153	3.5
163.14787	19.8
165.12833	2.8
169.10258	3.0
171.11664	12.4
171.28523	2.2
173.13263	22.2
175.11153	4.6
175.14853	22.9
177.12672	3.8
177.16455	15.7
177.17755	3.1
179.14352	3.5
179.17923	2.1
183.11549	3.9
185.13274	8.5
187.14851	17.2
189.12727	2.2
189.16409	23.9
191.14343	5.2
191.17972	33.8
193.15941	3.0
193.19582	2.7
197.13275	3.6
199.14748	11.1
201.16420	19.3
203.14296	5.8
203.17996	19.2
205.15863	7.8
205.19574	11.4
207.17484	16.2
213.16405	14.9
215.14314	3.0
215.17952	11.7
217.15891	6.1
217.19562	10.0
219.17451	22.2
227.17879	2.2
229.16013	2.3
229.19524	7.9
231.17461	8.6
231.21133	6.4
233.15372	3.2
233.18979	4.9
235.16945	8.5
239.17863	2.7
241.19502	3.3
243.21147	5.3
245.19008	4.6
245.22720	3.1
249.18546	2.7
253.19553	5.2
255.21123	4.9
257.22632	3.1
261.22299	3.3
269.22650	5.1
271.24200	2.8
283.24292	4.2
295.24448	2.8
299.23810	2.6
335.27191	2.5
355.65750	2.0
363.30899	2.1
369.52386	2.5
405.35303	48.9
422.20367	2.6
423.31052	3.6
423.36676	45.9
441.32721	20.6
441.38223	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01880	5.5
55.05525	19.0
56.96553	2.7
57.07075	7.8
61.02928	4.4
65.03928	2.9
67.05514	37.8
69.03447	5.8
69.07079	30.8
69.53848	3.6
69.54260	9.7
71.04990	4.2
71.48557	2.2
79.05497	25.7
81.03424	5.2
81.07069	64.4
83.04981	7.1
83.08647	12.9
85.02917	6.0
85.06548	4.2
91.05484	23.3
92.42904	2.3
93.07058	54.4
95.04971	6.5
95.08617	100.0
97.02877	6.3
97.06544	8.1
97.10177	8.6
98.97574	6.6
105.07044	69.0
107.04956	4.5
107.08605	81.7
109.06536	6.4
109.10169	63.9
110.10458	2.6
111.08057	4.7
111.11739	3.9
117.07004	12.1
119.05000	2.6
119.08595	66.0
121.06512	12.7
121.10159	56.2
123.04419	2.9
123.08080	9.7
123.11729	25.8
125.09641	3.6
127.03969	3.3
128.06215	3.3
129.07028	8.5
131.04991	3.1
131.08586	26.1
133.06503	3.2
133.10139	44.1
135.08072	9.1
135.11703	42.1
137.09630	7.5
137.13275	20.6
139.07538	2.7
139.11214	3.2
143.08571	9.1
144.09377	2.8
145.06479	20.0
145.10164	43.5
147.04427	3.7
147.08049	3.5
147.11711	27.4
149.09642	11.6
149.13292	27.6
151.07567	2.5
151.11263	5.5
155.08562	5.0
157.06619	2.5
157.10199	11.2
159.08076	7.1
159.11719	45.4
161.06010	2.7
161.09621	7.5
161.13290	19.4
163.11208	5.4
163.14821	9.2
165.09116	22.4
167.81038	2.2
169.10152	6.3
171.08072	7.5
171.11719	11.7
173.01234	3.0
173.09665	4.7
173.13287	27.0
175.11244	4.6
175.14844	26.7
177.12828	3.8
177.16422	8.6
179.14296	2.7
183.11633	3.1
185.13322	5.5
187.14842	29.8
189.09123	2.7
189.12828	4.7
189.16411	47.2
191.10736	3.7
191.14343	7.3
191.16194	4.2
191.17958	80.4
193.12259	4.2
193.15961	3.4
195.11603	3.0
197.13341	3.2
199.11176	3.8
199.14890	6.3
201.12743	4.9
201.16428	18.8
203.14301	15.4
203.17996	21.7
205.16014	3.3
205.19504	8.3
207.17480	7.6
209.13289	3.4
211.15031	3.0
213.16405	6.6
215.14424	7.1
215.17981	57.1
217.15906	6.7
217.19579	9.5
219.01717	2.7
219.13881	5.6
219.17487	7.5
225.16463	3.6
227.17970	4.8
229.15918	3.3
231.17467	6.9
231.21109	3.3
233.13301	3.1
233.15424	11.4
233.19025	45.6
235.17070	3.3
241.19667	2.8
242.34775	2.3
255.21095	3.1
257.22934	3.0
261.18530	3.3
266.17175	2.3
267.21085	3.9
269.22693	3.1
271.08432	3.2
271.20505	3.4
272.09009	2.3
273.14880	4.1
279.16010	15.4
283.20447	3.0
289.09329	3.6
339.23413	2.7
349.21759	6.7
355.14301	2.6
367.22787	12.5
381.31384	2.6
405.24097	4.5
405.31451	9.1
405.35931	3.9
411.36761	2.6
423.14252	2.7
423.32431	17.8
423.36508	13.3
441.26349	32.6
441.33640	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02735	0.7
51.83620	0.7
56.96568	0.8
60.18961	0.7
69.03431	2.0
70.06593	100.0
71.12152	1.2
71.12478	0.8
72.21227	0.8
74.06070	3.8
81.03430	2.0
85.02914	2.5
93.07079	0.8
95.08636	1.1
97.02898	1.2
98.97603	1.7
99.02793	0.8
107.08599	1.0
109.02868	4.3
112.07605	76.5
116.07066	3.8
119.08514	0.8
126.53509	0.8
127.03911	2.1
140.07066	42.9
144.06563	2.2
153.01836	6.0
153.42769	0.7
154.02232	1.8
158.08124	6.4
160.05365	0.8
161.06058	0.9
176.03482	2.1
176.07072	0.9
179.03452	2.0
180.03810	1.0
180.06372	1.1
196.27484	0.8
200.09242	1.5
203.07080	0.9
231.06532	1.3
242.10196	1.7
248.10411	1.5
249.07706	1.5
266.10272	3.1
271.06024	0.8
272.06451	2.0
284.11310	3.5
302.12308	1.5
324.10641	2.1
342.11810	1.3
408.98755	0.8
442.16812	9.4
443.19135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	0.6
53.03940	1.3
55.01874	7.7
57.03436	14.3
59.04992	1.4
59.57013	0.6
61.02928	10.2
62.11125	0.7
67.05511	1.1
69.03429	24.7
69.07069	1.3
69.37609	4.1
69.38011	1.5
71.01353	2.5
71.04991	1.6
72.04510	1.3
73.02920	25.7
73.08157	0.7
81.03428	5.3
81.07048	1.0
83.04986	0.6
85.02906	100.0
87.04472	5.1
91.03959	5.1
91.05504	0.7
93.07059	1.0
95.08608	1.7
97.02892	37.0
99.04482	4.0
103.03951	2.2
105.07060	1.2
107.08577	1.3
107.51553	0.8
109.02885	8.0
109.10161	0.9
115.03930	14.0
119.08560	0.7
121.06545	0.6
121.10146	0.9
127.03922	27.6
132.06581	1.1
133.04964	19.5
133.10201	1.0
134.10495	0.7
145.04962	57.4
147.11783	0.6
150.07658	3.0
152.39021	0.7
159.11665	0.8
161.58006	0.7
163.06023	18.9
164.09988	0.6
165.09138	1.8
167.52972	0.6
169.71646	0.6
193.05077	1.0
199.06117	1.1
223.06044	1.8
241.07104	2.3
259.08157	3.5
277.09302	0.9
293.19675	1.8
313.39996	0.7
424.33023	1.5
442.26636	2.1
442.34055	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1524
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
53.03955	0.5
55.05508	0.6
56.96545	1.2
57.03419	1.2
69.03444	2.8
69.07055	0.5
71.04967	0.9
71.53854	0.9
73.02922	0.8
81.03375	1.2
81.07056	0.7
83.01077	1.5
85.02913	4.0
86.09689	1.6
87.04470	0.7
93.07020	0.7
95.01050	2.3
97.02876	2.1
98.97552	2.3
105.09043	0.5
109.02830	1.0
110.05994	0.9
113.02129	3.3
116.98598	1.1
121.06511	0.8
122.06014	0.9
123.04420	1.3
124.07596	1.4
127.03873	1.9
135.11525	0.6
136.07507	2.2
137.05920	1.7
140.07082	0.9
145.04907	0.9
147.08124	0.6
147.09169	9.3
150.05402	0.7
153.01782	2.4
157.04652	0.9
163.03947	0.8
164.07016	0.8
167.07016	1.3
179.74208	0.5
185.04178	4.0
201.03668	1.0
201.19737	0.6
203.05223	1.5
203.11870	0.6
206.05524	11.1
237.02789	0.9
249.07257	1.1
259.07755	2.8
263.05905	0.7
263.13504	0.7
281.10141	1.3
281.14932	10.3
328.24155	0.6
412.13339	0.9
443.14990	100.0
443.19833	11.8
444.15353	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	443.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07535	0.5
54.03469	2.7
55.04259	2.7
56.96548	0.7
57.03431	1.0
61.02914	0.6
65.83936	0.5
66.83555	0.4
69.03439	2.4
70.38297	1.8
80.04996	0.7
81.03431	1.1
81.04545	18.0
82.00258	0.5
82.05328	7.9
85.02904	3.8
87.04463	0.8
97.02911	1.9
98.97584	2.2
101.06049	0.9
108.05598	1.0
109.02912	0.9
114.03789	0.5
116.98637	0.7
122.07158	100.0
123.07938	94.5
127.03912	1.5
137.05980	0.9
139.03923	0.6
144.04793	1.1
145.04910	0.5
151.08400	0.8
153.01828	1.2
160.04254	2.4
165.07759	3.7
172.04343	0.7
191.18677	0.6
235.10515	1.6
237.02855	0.6
263.10065	0.5
281.10699	61.7
303.01508	1.9
323.11771	1.0
347.36603	0.5
401.13184	1.0
443.16016	96.6
444.16565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44799	0.9
63.92696	1.1
67.05509	1.7
69.03425	1.7
69.07067	1.5
69.77434	6.4
70.06601	1.9
71.05000	1.3
72.41451	0.9
81.03432	1.6
81.07056	3.3
85.02895	3.5
86.09721	2.1
91.05459	2.0
93.07039	2.6
95.04933	1.1
95.08586	3.3
97.02900	2.1
98.06069	1.3
98.20843	1.8
98.97604	2.4
103.05482	1.0
105.07042	2.2
107.08582	2.9
109.02872	1.6
109.10168	2.2
111.04433	1.2
114.44534	0.9
115.08678	1.0
119.08566	2.0
121.10136	3.1
123.04389	1.4
124.07635	1.0
127.03934	3.6
129.23235	1.0
130.06502	1.5
133.10181	1.5
135.08022	1.1
137.05986	10.5
139.03917	1.9
145.04936	1.1
147.04427	1.4
149.09644	1.4
151.03915	1.5
153.01912	1.8
153.33693	1.1
161.09576	1.0
166.10800	0.9
175.07620	1.3
177.16478	2.2
187.07481	1.0
201.05553	2.5
211.22357	1.0
237.82645	1.2
263.12668	1.1
263.16608	2.2
274.14905	1.0
279.10138	1.9
281.13672	2.5
281.17575	1.1
289.05453	4.0
305.08197	2.7
337.10687	3.9
343.13715	6.2
383.14871	1.5
399.16077	1.6
426.19012	2.2
443.18866	100.0
444.19266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01862	3.3
55.05308	1.2
55.05515	14.1
56.96568	1.3
57.03440	6.5
57.07074	2.6
59.05003	5.8
61.02934	6.6
67.05486	2.7
69.03085	1.6
69.03434	24.0
69.07073	3.2
70.06584	2.6
71.04988	3.1
71.53696	1.1
72.08144	3.9
73.02914	4.7
76.95635	1.0
79.05498	5.9
81.03430	9.7
81.07060	8.7
83.04984	21.9
85.02909	54.1
85.06534	1.5
87.04465	3.2
89.10756	1.8
91.03963	3.1
91.05492	6.0
93.07049	10.9
95.04963	11.7
95.08602	7.9
97.02892	17.2
97.06526	3.5
98.97591	5.0
99.04472	4.7
101.06020	12.2
105.07036	12.6
107.04961	2.3
107.08586	9.2
109.02892	8.9
109.06530	6.9
109.10174	7.4
110.97547	1.5
111.04440	2.2
111.08070	2.2
112.07597	2.2
115.03952	1.3
116.98662	1.5
117.07011	2.6
119.04985	2.2
119.08591	12.2
121.06528	11.5
121.10147	7.3
122.06029	1.1
123.04456	1.8
123.08060	3.0
123.11770	1.3
124.07591	4.9
125.05982	4.9
127.03922	13.4
128.06245	2.4
129.07021	3.1
131.08565	5.5
133.06523	2.8
133.10139	7.6
135.08069	8.6
135.11671	3.4
136.07578	1.2
137.05986	10.5
137.09636	12.0
140.07051	1.2
142.07817	1.7
143.08585	4.9
145.04967	6.8
145.06520	2.7
145.10164	6.4
147.04350	1.5
147.08040	13.6
147.11627	1.5
149.06000	2.3
149.09624	2.7
151.07535	2.9
151.11176	2.8
153.01865	15.6
153.02989	2.4
157.10158	4.2
159.08026	3.5
159.11708	4.8
161.09610	10.5
161.13228	2.8
162.10384	1.4
163.07538	2.2
163.11200	26.1
164.11258	1.4
165.09116	6.3
170.10867	1.3
171.08136	1.2
171.11728	2.1
173.09677	1.6
173.13142	2.0
175.14848	1.6
177.09129	5.7
179.10635	5.8
181.12233	25.2
185.13274	3.5
186.62173	1.3
187.11214	5.0
189.09085	3.4
195.10201	1.5
199.11127	1.5
203.14368	7.2
205.12225	7.6
206.79486	1.2
207.10139	13.0
217.15874	1.3
219.01730	1.9
221.15387	3.1
227.14337	2.6
231.08885	1.2
233.15366	4.5
237.02837	1.9
245.11629	1.6
245.15363	15.4
259.07767	2.5
262.40936	1.2
263.13547	2.3
263.16418	34.9
281.17493	100.0
304.42398	1.2
315.07047	1.4
355.11551	1.6
367.70221	1.1
385.14713	1.6
436.98370	1.1
443.18802	24.2
443.23172	3.8
444.19046	1.3
466.70932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
53.14954	0.2
56.96560	0.4
57.05820	0.7
58.06601	0.4
60.04525	0.5
60.05654	5.9
67.05508	0.6
67.67609	0.3
69.03447	1.0
69.06724	0.5
69.07076	6.7
69.52814	2.2
70.06599	18.5
71.05009	0.6
72.04537	0.3
72.08160	1.3
73.95440	0.3
81.03433	0.5
81.07052	0.8
83.04944	0.4
85.02922	2.2
85.03352	0.5
86.09713	90.7
87.10068	0.6
91.05496	0.5
93.07046	0.6
95.08608	0.7
96.02773	0.3
97.02885	0.7
97.07695	0.4
98.06074	0.4
98.97587	0.6
105.07036	0.7
107.08604	0.4
109.10144	0.5
112.08749	3.0
114.10297	0.6
115.08702	3.3
116.07099	7.2
119.08588	0.5
121.02834	0.4
121.10132	0.5
123.04444	0.4
124.07639	0.4
127.03883	0.6
128.10733	16.7
130.09779	2.7
133.09767	0.9
137.09628	0.6
138.09158	0.4
145.05005	0.3
145.10100	0.4
147.04347	0.4
147.11708	0.4
153.01859	1.2
156.10173	1.3
156.11327	7.7
157.10881	0.6
158.09262	6.9
161.09627	0.3
166.08690	0.5
167.07057	1.4
168.07466	1.1
175.11929	16.6
177.00688	0.3
179.03412	0.4
185.01285	0.3
193.05072	0.9
195.05911	1.2
199.18173	0.4
219.01669	0.4
226.15536	0.4
253.16536	0.5
259.07971	0.7
263.16611	0.8
269.18640	0.7
271.17657	7.4
281.14816	0.4
281.17575	0.6
288.20288	0.7
377.59290	0.3
383.14890	0.6
399.16473	0.5
408.90680	0.4
425.28665	0.9
443.18298	9.4
443.29800	100.0
444.16812	0.5
444.30151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05506	9.8
57.07067	3.2
58.50158	2.2
59.04995	2.7
63.58375	2.3
67.05511	16.0
69.07072	20.8
71.04994	2.1
71.05721	1.9
71.08622	2.5
77.10532	2.3
79.05478	9.5
81.07058	44.8
83.04984	3.4
83.08617	13.3
85.06573	5.3
91.05473	9.1
91.71048	2.3
93.07051	26.1
95.04957	2.9
95.08612	85.5
97.06512	3.4
97.10178	5.2
98.21627	4.1
101.22625	2.1
105.07041	24.7
107.05010	2.2
107.08595	42.9
109.10159	50.8
111.08091	4.1
111.11716	2.6
119.08584	29.3
121.09337	2.7
121.10159	33.6
123.08046	3.4
123.11716	31.7
125.09644	4.3
131.08574	9.6
133.10124	26.9
135.08121	2.6
135.11691	26.5
137.13269	13.9
139.01079	2.0
139.07495	2.7
143.08524	3.7
144.44437	2.0
145.10123	17.3
147.11691	27.7
149.09601	2.1
149.13261	26.3
151.11136	3.4
151.14804	2.4
157.10153	5.7
159.11722	19.6
161.13289	17.7
163.14857	11.2
166.72466	2.3
171.11745	4.9
173.13278	16.4
175.11127	2.8
175.14793	18.3
177.16379	13.5
179.14160	2.5
183.11702	3.1
185.13310	8.8
187.14810	16.4
189.16356	20.9
191.17982	17.1
199.14857	4.2
201.16373	10.2
203.14333	8.9
203.17957	15.0
205.15883	6.1
205.19508	5.4
205.21359	2.7
207.17453	8.6
211.14915	2.5
213.16422	4.3
215.17914	6.8
217.15942	4.8
217.19556	7.5
219.17490	6.6
227.17963	5.9
229.15822	2.8
229.19507	12.6
231.21176	4.2
233.15337	3.4
233.19157	3.5
235.20619	4.7
238.44759	2.8
241.19542	12.1
243.21036	20.7
245.22574	2.5
249.18385	3.0
255.21115	24.0
257.22665	9.2
271.24411	2.4
275.20102	8.0
287.20065	3.5
289.21652	11.0
301.21622	34.3
303.23050	5.5
379.33609	22.3
395.33035	3.1
397.34674	23.5
407.32870	21.2
425.34079	78.6
425.39246	4.4
443.34201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03939	0.6
55.05497	1.4
57.07072	0.8
57.95990	0.4
65.03944	0.4
67.05506	3.4
69.03441	0.5
69.07058	2.6
70.78225	0.5
70.78564	1.0
71.08614	0.4
75.40165	0.3
79.05492	2.0
81.07066	6.4
83.04972	1.5
83.08627	1.1
85.06552	0.5
88.53104	0.4
91.05477	1.7
93.07053	5.4
95.04958	1.7
95.08615	11.6
95.96103	0.4
97.06548	2.1
97.10155	1.2
105.07037	8.6
105.07694	0.8
107.08603	9.6
109.06512	0.8
109.10168	5.2
109.99565	0.5
111.08086	0.6
117.07040	0.7
119.08591	7.8
121.06518	0.9
121.10159	7.5
123.08077	1.0
123.11720	3.0
125.09652	0.4
129.07004	0.6
131.08577	2.4
133.06439	0.7
133.10129	5.0
135.08064	1.4
135.11713	5.8
137.09720	0.5
137.13229	0.7
139.11169	0.6
143.08585	1.7
145.06551	0.6
145.10112	2.3
147.08041	1.8
147.11691	3.2
149.09644	2.3
149.13240	2.6
153.12758	0.5
157.10139	2.2
159.08109	1.1
159.11662	2.5
161.09610	3.8
161.13271	2.7
162.10471	0.4
163.11234	0.6
163.14844	2.7
169.10185	0.6
171.11691	1.1
173.09654	0.8
173.13261	3.0
175.11234	2.5
175.14832	7.6
177.12787	0.9
177.16394	5.9
179.14247	0.7
183.11725	0.7
185.13246	0.9
187.11267	0.5
187.14818	2.2
189.12788	0.9
189.16422	6.0
191.14363	0.4
191.17911	1.0
197.13307	1.1
199.14809	2.4
201.12811	0.6
201.16432	1.1
207.17458	1.0
211.14832	0.7
213.16406	1.3
215.14336	1.7
215.17947	0.8
217.15881	7.3
219.17447	1.2
225.16496	0.5
227.17920	0.9
229.15833	0.7
229.19417	0.9
231.17464	18.1
235.16873	2.3
239.17816	0.5
241.19572	0.5
243.17566	1.0
243.21030	1.8
245.18880	0.9
253.19577	1.3
255.21106	0.5
257.19116	0.6
257.22827	0.5
271.20596	4.7
273.22214	0.9
283.20657	0.6
285.22168	1.7
289.21689	1.2
301.21796	0.4
311.23459	0.5
389.32150	0.9
407.33109	3.9
425.34177	12.2
443.35257	100.0
444.35547	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	443.3518
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
53.03925	1.0
53.72334	0.5
55.05524	2.9
55.35048	0.5
57.07069	1.2
59.32280	0.6
67.05515	4.8
69.07063	5.8
71.04966	0.9
77.95701	0.5
79.05504	3.6
81.07057	13.9
83.04971	1.0
83.08614	2.7
85.06508	0.9
91.05473	2.8
93.07037	8.8
95.04946	2.2
95.08606	27.6
97.06531	9.2
97.10153	1.8
99.08072	0.8
99.64487	0.5
104.20597	0.5
105.07040	10.3
107.08591	17.6
109.06511	2.3
109.09477	0.9
109.10156	13.3
111.08086	13.0
117.07022	1.0
119.08580	17.4
121.09322	1.0
121.10145	16.3
123.08081	6.0
123.11709	11.5
125.09621	2.0
130.07735	0.7
131.08591	3.7
133.10135	13.7
135.08028	1.8
135.11690	13.1
137.09599	2.3
137.13255	2.0
139.11157	1.9
144.09332	0.8
145.10123	10.6
147.11681	8.3
149.09644	1.4
149.13232	3.3
151.11185	2.7
157.10104	0.9
159.11688	16.6
161.13251	5.8
162.92476	0.5
163.11198	1.1
163.14879	2.9
173.13245	5.8
175.14853	6.4
177.12737	1.8
177.16365	2.2
179.14259	1.5
187.14900	0.7
189.14772	0.9
189.16379	11.1
191.14302	0.7
191.17953	7.4
193.15703	0.6
200.77771	0.6
201.16374	10.8
205.15858	0.9
207.17441	76.1
217.15961	0.9
219.17435	6.8
221.10793	0.6
233.18993	0.9
235.16913	1.8
237.18489	6.0
336.10162	0.6
336.40228	0.6
425.33997	1.2
431.86636	0.6
443.35217	100.0
444.35455	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	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03949	4.6
55.05510	17.9
57.07069	5.5
59.04998	2.5
65.03959	4.0
65.69806	2.6
67.05503	23.0
69.03427	4.1
69.07079	42.0
69.43293	17.5
69.43697	6.7
71.04994	3.1
79.05503	18.8
81.07058	55.9
83.04964	5.8
83.08629	16.0
85.06544	4.3
91.05482	20.9
93.07040	47.0
95.04959	6.9
95.08610	100.0
96.03020	3.0
97.06516	8.1
97.10151	9.3
105.07038	42.2
107.08595	72.8
108.08898	2.9
109.06551	6.4
109.10162	61.1
110.10464	2.9
111.08068	3.0
111.11709	5.0
117.06978	7.9
119.07800	4.2
119.08590	60.4
121.06453	5.2
121.10151	49.0
123.08083	9.7
123.11723	20.1
125.05946	3.1
125.09645	5.9
129.07027	6.5
131.08582	14.7
133.10135	38.5
135.07991	4.4
135.11697	42.7
137.09621	7.7
137.13246	7.6
139.07423	3.8
143.08540	9.7
144.09279	2.8
145.00220	2.8
145.10124	27.0
147.08107	5.7
147.11693	29.2
149.09624	5.6
149.13264	24.9
151.07529	5.0
151.11107	3.9
151.14821	5.7
153.09064	3.6
153.12698	3.1
155.08496	3.8
157.10147	12.4
159.11711	29.1
161.09627	6.1
161.13263	23.0
163.11237	4.4
163.14830	20.6
165.09097	30.3
167.10706	4.1
169.10097	4.9
171.11665	11.5
173.13274	22.6
174.13832	4.1
175.14807	30.7
177.12706	4.7
177.16367	11.5
177.95073	2.7
179.10646	3.6
179.14256	6.6
183.11734	4.2
185.13257	8.2
187.11241	3.3
187.14894	17.5
189.12692	3.4
189.16385	37.5
190.75658	2.8
191.14322	4.6
191.17961	59.8
193.15794	4.1
199.11470	3.1
199.14803	10.5
201.16379	16.8
203.14348	25.8
203.18013	14.3
205.15825	7.0
205.19479	5.3
207.13826	3.3
207.17384	6.2
209.15382	3.5
211.14833	3.6
213.16380	5.5
215.17976	12.6
217.15927	10.4
217.19560	5.7
219.17442	7.0
221.15317	9.0
222.10269	3.0
227.17946	6.6
229.15887	3.5
229.19432	7.9
233.15378	8.1
235.16951	24.3
241.19426	3.4
243.21010	4.0
253.17813	4.8
255.21066	3.0
257.22644	3.7
263.19891	3.0
273.18604	3.6
281.22739	3.3
301.21677	4.0
315.23004	5.3
317.24637	5.3
351.23050	3.4
365.32050	4.1
383.33145	5.2
395.32657	5.6
397.34613	4.3
407.33011	18.3
413.34192	4.4
425.34186	61.0
443.27753	12.7
443.35043	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03951	1.9
55.05507	7.8
56.96555	1.3
57.07063	1.3
65.03951	1.3
67.05506	20.7
69.03423	3.5
69.07072	15.7
71.05006	1.9
79.05491	7.3
81.03390	2.1
81.07062	30.4
83.04973	1.4
83.08641	6.1
85.02897	1.7
85.06550	2.2
91.05483	8.4
93.07053	19.6
95.04961	2.1
95.08617	26.0
97.06545	3.5
97.10165	4.4
98.20740	3.5
98.97633	1.5
99.04436	1.5
99.08107	1.8
105.07034	20.3
107.08602	26.2
109.02886	1.5
109.06522	3.7
109.10164	61.9
111.04385	1.3
111.08090	3.4
111.11729	2.8
115.05513	1.6
117.07034	2.3
119.08585	21.8
121.06511	3.0
121.10146	16.4
123.08031	2.3
123.11723	12.4
125.09645	2.5
127.03876	1.9
131.08620	6.3
133.06464	1.5
133.10149	21.2
135.08046	5.0
135.11707	20.5
137.09621	6.7
137.13237	3.7
143.08554	3.0
145.10133	8.4
147.08035	3.0
147.11691	11.3
149.09608	3.7
149.13261	7.2
151.11180	7.1
155.14885	1.3
157.10156	4.4
159.08012	2.0
159.11719	8.0
161.09654	4.5
161.13245	8.5
163.07550	1.5
163.11238	1.7
163.14792	6.4
165.09134	37.7
165.12836	1.4
167.10709	1.3
169.10133	1.4
170.27750	1.2
171.11732	5.6
173.13239	6.5
175.11227	2.5
175.14827	11.1
177.12791	2.3
177.16399	2.4
178.84299	1.3
179.10739	1.5
179.14345	2.5
183.11766	2.4
185.13283	5.3
187.14830	8.1
189.12764	3.7
189.16391	20.0
191.14326	2.4
191.17969	4.9
193.15918	2.3
197.13232	2.3
199.14917	5.1
201.16385	4.6
203.14343	12.7
203.17984	5.4
204.18488	1.1
205.12227	1.9
205.15979	1.7
207.17465	16.0
211.14828	2.3
213.16368	1.5
215.14534	2.2
215.18045	3.2
216.18439	1.4
217.12195	1.3
217.15906	3.9
217.19586	3.2
221.15392	3.3
227.17970	2.9
231.13953	1.2
235.17033	2.8
237.02969	1.7
241.19473	3.0
243.21155	1.5
255.21049	1.8
259.20581	2.0
267.21103	1.5
271.20520	1.7
291.23254	1.9
319.22751	2.3
360.83365	1.3
383.15030	3.5
389.32178	2.5
397.34689	2.4
399.32611	16.9
401.34143	4.4
407.33020	9.7
425.34229	26.9
443.35266	100.0
444.35727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.13590	4.2
55.05509	18.3
57.07073	4.2
67.05502	25.7
69.03457	4.8
69.07063	35.1
79.05495	19.6
80.69472	5.2
81.07060	71.5
83.04969	4.3
83.08624	16.7
85.06534	6.8
91.05481	21.8
93.07052	46.3
95.04979	7.5
95.08608	100.0
97.06552	8.5
97.10158	11.6
98.21535	7.9
98.97579	4.8
105.07033	38.0
107.08599	77.6
108.59182	4.1
109.06514	10.1
109.10159	53.4
111.08102	5.0
117.07046	7.6
119.08581	67.3
121.06569	5.7
121.10152	50.2
123.08098	9.4
123.11728	26.7
125.09637	4.0
131.08580	13.5
133.10139	43.8
135.08037	10.4
135.11681	49.6
137.09615	7.8
137.13245	15.1
145.10156	21.8
147.11684	31.6
149.09729	4.4
149.13268	25.7
151.14793	5.2
157.10143	11.1
159.11684	22.7
161.09633	4.7
161.13213	20.6
163.11328	5.7
163.14870	21.9
165.09126	63.5
169.10147	9.2
171.11719	14.9
173.13295	20.5
175.14861	46.5
177.16406	13.3
179.10675	4.8
179.14270	4.3
183.11734	5.8
185.13213	8.5
187.14789	15.1
189.12804	8.5
189.16383	40.9
191.17964	55.6
193.15868	6.2
197.13298	6.0
199.14844	5.7
201.16380	14.5
203.14345	26.6
203.17987	14.0
205.12170	5.7
205.16003	5.4
207.17442	8.1
207.93863	4.9
213.16273	6.3
215.18095	4.8
217.15916	12.4
217.19409	6.2
219.17467	5.3
225.16454	7.0
227.17967	5.7
229.19470	6.4
235.16884	24.1
245.19032	5.5
253.18037	7.0
267.21069	4.5
289.21744	6.5
311.23447	5.0
317.24670	4.4
340.09595	4.5
355.25934	5.0
383.33374	5.7
407.33130	9.6
425.34229	64.2
443.19510	4.9
443.28513	7.7
443.35263	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05505	9.2
57.07092	3.8
58.09318	3.1
67.05509	15.5
69.07072	17.6
69.56752	15.8
69.57166	7.4
79.05495	9.4
80.85027	3.2
81.07062	44.9
83.08633	7.7
91.05481	11.8
93.07053	27.8
95.08614	81.9
97.06551	3.3
97.10190	7.1
98.21484	7.1
105.07040	28.8
107.08605	59.2
109.10168	59.6
119.08582	39.9
121.10151	51.1
123.11729	21.3
131.08568	5.7
133.10117	36.0
135.11696	40.1
137.13237	9.5
145.10153	9.3
147.11687	41.0
149.13251	24.3
159.11726	12.0
161.13252	24.3
163.14836	15.2
173.13330	9.6
175.14842	19.5
177.16397	15.6
179.14282	6.2
179.17917	3.1
187.14906	4.1
189.16454	27.7
191.17996	16.6
193.15886	4.8
201.16364	5.0
203.17961	100.0
205.19551	14.4
207.17517	39.1
214.17041	6.3
215.17903	8.3
217.19548	32.0
221.19016	4.4
229.19485	26.0
231.20990	6.5
243.21159	5.1
245.22655	11.4
247.20599	12.6
257.22803	4.5
271.24283	9.9
285.25906	3.6
327.98242	3.6
329.28461	4.7
407.36798	24.5
425.38000	87.5
443.34537	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.30108	1.7
53.03939	2.3
55.05502	10.2
57.07070	5.3
57.25389	1.6
58.41734	1.7
67.05508	21.0
67.78739	1.9
69.03434	1.9
69.07072	25.1
69.51768	14.0
71.01402	1.6
71.04991	7.6
77.07098	1.6
79.05513	15.5
81.06590	3.0
81.07066	55.5
83.08628	9.1
91.05493	11.9
93.07053	34.2
95.08616	100.0
97.06529	2.6
97.10186	6.7
99.08084	9.6
105.07026	23.0
107.08604	50.8
109.10165	60.2
111.11741	4.3
119.08597	35.6
121.10152	49.6
123.11723	34.9
125.09609	2.3
127.11201	11.5
131.08673	3.9
133.10149	42.2
133.11105	3.4
133.50819	1.8
135.11705	52.3
137.13266	27.9
139.11208	5.0
143.10728	3.7
145.10165	6.8
147.11702	30.5
149.13268	35.4
151.14893	2.5
153.12746	2.2
159.11703	12.0
161.13281	22.1
163.14818	19.2
165.12589	1.8
171.11731	3.7
173.13327	7.7
175.14857	11.9
177.16383	18.1
179.14368	2.3
187.14883	6.9
189.16379	18.5
191.17967	67.8
193.15849	3.1
199.14842	1.9
201.16362	13.3
203.17952	27.8
205.19467	12.8
207.17511	2.2
215.18109	5.8
217.19530	29.2
221.19127	5.0
229.19550	4.2
231.21167	3.7
233.19104	5.9
235.20576	5.5
237.18614	5.9
243.21185	2.3
245.22760	3.9
247.20639	2.9
257.22690	2.3
271.24417	3.0
275.23724	2.0
289.25168	2.1
327.30603	2.0
345.31509	3.2
353.00232	1.9
407.36804	10.4
425.37894	80.4
426.38290	2.7
443.33978	7.4
443.39056	61.9
444.39081	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	443.3884
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03917	3.9
54.36610	2.8
55.05509	20.9
57.07058	9.8
60.29706	2.6
65.03926	2.6
67.05503	37.0
69.03395	3.0
69.07069	44.9
70.70100	8.2
71.04983	11.6
71.08630	2.9
73.06558	2.6
77.17565	2.6
77.55824	3.0
79.05493	20.8
81.06590	3.7
81.07056	81.7
83.08621	14.9
91.05479	14.8
93.07050	45.3
95.08606	100.0
97.06500	4.7
97.10162	12.6
99.08075	4.3
105.06418	3.0
105.07037	30.5
107.08592	55.1
109.10157	88.6
111.11710	7.4
114.85814	3.0
117.07006	4.6
119.08576	35.2
120.74976	2.4
121.09319	4.0
121.10144	53.2
123.08109	15.1
123.11707	40.6
125.09609	9.8
127.11200	12.3
131.08536	10.5
133.10147	37.0
135.08110	3.0
135.11685	47.5
137.09604	3.7
137.13295	16.6
139.11162	5.4
144.09262	2.5
145.10150	19.2
147.11690	29.4
148.12117	3.0
149.13246	33.1
151.11169	3.0
151.14830	5.4
153.12689	6.2
159.11716	16.2
161.13289	21.1
163.14836	15.7
173.13289	15.0
175.14899	15.7
177.16373	17.9
187.14835	17.6
189.16402	14.1
191.17953	16.3
193.15878	3.3
193.95360	2.6
195.17549	4.8
201.16420	22.1
203.17949	28.0
207.17488	6.0
213.16391	2.8
215.17915	9.0
217.19478	11.2
219.17458	25.6
227.18007	4.6
229.19466	10.6
231.21088	5.4
235.20573	4.8
241.19359	2.8
243.21054	4.6
257.22485	4.8
259.24222	4.3
273.25455	4.0
285.25726	7.1
315.26907	2.8
325.29065	3.7
343.29770	3.9
407.36841	24.8
425.38074	45.9
443.33447	28.1
443.38812	13.7
452.64618	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	443.3886
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
50.27798	2.1
53.03948	2.5
55.05512	15.1
57.07062	7.0
66.91742	2.7
67.05507	29.8
69.07068	37.5
70.69905	5.2
70.70238	3.1
71.04987	5.2
71.08639	3.1
79.05138	2.1
79.05498	26.9
81.07059	100.0
83.08620	13.5
85.06515	4.2
91.05472	12.3
93.06490	2.6
93.07049	40.0
93.44447	2.3
95.04963	2.1
95.08607	95.9
97.06491	3.5
97.10153	6.4
99.08088	2.8
105.07016	24.0
107.07882	2.9
107.08596	55.2
109.10156	67.0
111.08051	3.8
111.11720	3.2
117.07021	2.7
119.08579	29.0
121.10149	52.8
122.37801	2.2
123.08029	2.7
123.11713	29.6
125.09608	4.5
126.07690	2.6
127.11187	8.5
131.08537	8.8
133.10123	25.1
135.11691	36.0
137.13245	21.7
145.10086	8.0
147.11705	21.9
149.13274	33.2
159.11682	10.2
161.13289	16.1
163.14832	11.9
164.01033	2.3
165.12749	2.4
169.14557	2.3
171.11621	3.1
173.13252	16.5
175.14865	18.7
177.16414	36.6
179.14209	2.6
185.13152	3.2
187.14781	10.0
189.16324	11.5
191.17924	11.6
193.15742	2.4
195.17525	3.3
201.16368	8.6
203.17908	10.0
205.19452	7.2
207.17445	3.5
213.16379	3.1
215.18010	11.2
217.19531	15.7
219.17473	4.2
221.19075	3.0
229.19554	5.2
231.21068	7.0
233.18958	9.9
247.20702	3.3
251.20090	6.4
257.22647	3.3
270.91971	2.4
283.24069	3.2
287.23740	2.3
297.25677	4.1
325.28833	3.1
343.29810	3.8
359.96335	2.3
361.31085	4.7
407.36774	12.6
425.37854	41.2
443.33362	14.0
443.38745	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.88559	1.8
53.03951	3.4
53.60360	1.9
55.05507	20.1
57.07065	7.8
59.04995	2.4
67.05506	33.9
69.03416	2.9
69.07066	45.3
70.57299	4.1
71.04984	8.2
74.65776	1.9
79.05489	20.2
81.07059	100.0
83.08619	14.5
85.06533	3.9
91.05473	10.0
92.79509	1.9
93.07043	43.6
95.05000	2.6
95.08610	96.3
96.08931	2.4
97.06535	5.6
97.10179	6.3
99.08076	4.7
101.20610	1.9
105.07028	23.8
107.08596	54.1
109.06515	3.6
109.10160	84.7
111.08084	3.3
111.11732	6.5
112.72697	1.9
113.09642	2.2
117.06980	2.9
119.08581	28.8
121.10143	36.5
123.08051	2.8
123.11717	35.1
125.09630	11.9
125.13399	2.4
127.11168	17.1
131.08591	8.0
131.22067	1.8
133.10147	27.7
135.11694	31.7
137.09564	5.0
137.13249	23.6
139.11157	3.8
143.08580	3.4
143.10635	3.5
145.10143	13.5
147.11699	26.1
149.13290	20.9
151.11186	2.7
151.14801	3.5
153.12766	3.8
155.10698	5.3
157.10194	2.1
159.11717	14.2
161.13268	16.2
163.14821	20.4
165.12791	7.8
171.11774	2.2
173.13304	10.1
175.14835	15.2
177.16377	11.8
177.17850	2.1
183.13742	4.2
187.14799	7.5
189.16418	13.3
191.17926	11.1
193.15909	3.6
193.19576	2.3
201.16426	8.2
203.17966	8.0
204.74254	2.1
205.15938	2.1
207.17465	3.4
209.15472	2.7
211.16888	2.3
213.16289	4.1
215.17944	6.8
217.19556	7.9
219.17511	5.4
219.21123	3.6
221.18204	3.0
227.17950	2.6
229.19400	4.4
231.21086	3.7
243.21069	4.3
247.20602	2.2
248.57678	2.1
255.21014	2.1
257.22806	3.5
271.24188	4.2
278.80630	2.1
285.25699	3.2
287.23798	2.5
301.25302	2.4
325.29080	2.1
332.87842	2.4
339.30521	4.0
343.29947	2.5
353.31931	2.4
357.31540	4.5
407.36609	8.0
416.63705	2.1
425.37888	35.9
443.33429	15.8
443.38779	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	443.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52653	0.9
55.05513	10.6
56.05947	0.9
56.35479	1.0
57.07074	2.3
60.02391	0.9
67.05511	26.8
67.05874	1.3
69.07072	24.6
69.46127	7.3
71.05009	1.2
71.08614	1.9
79.05504	6.5
81.07066	34.3
82.13942	0.8
83.08616	10.7
85.06561	1.1
91.05489	3.7
93.07047	16.5
95.08614	70.2
97.06544	1.8
97.10190	6.4
98.21478	2.0
99.04476	1.8
100.60732	0.9
101.06047	1.3
105.07021	4.2
106.28738	0.9
107.08605	24.0
109.06501	1.4
109.10167	100.0
111.11736	7.0
115.07555	1.9
119.08582	5.9
119.56072	1.0
121.10162	22.5
123.11718	23.1
125.13277	1.9
133.10132	5.7
135.08122	1.3
135.11707	17.0
137.13258	11.0
143.10732	1.1
145.10146	1.3
147.11694	3.3
149.13258	14.3
151.11157	2.3
151.14847	1.6
153.09067	1.2
161.13303	3.5
163.11267	1.2
163.14828	10.2
165.12752	1.8
165.16339	1.2
167.10660	1.6
169.12273	1.1
175.14848	2.7
177.12802	1.7
177.16393	7.7
181.12267	4.2
189.16374	2.1
191.14240	1.0
191.17990	10.8
193.19426	1.3
195.13817	4.1
203.17920	3.0
205.19531	32.8
207.17471	1.2
209.15381	1.1
217.19598	4.5
218.22942	1.1
219.21169	5.2
223.17084	2.3
224.78897	1.0
225.18666	1.0
231.21062	4.1
237.18488	2.8
251.20174	1.4
284.49249	0.9
287.27365	2.0
314.37830	0.9
333.27753	1.6
347.29489	3.2
359.29532	1.3
412.27826	1.0
443.38895	27.2
444.38757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3889
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.84347	5.5
55.05521	12.2
65.61621	6.7
67.05502	23.2
69.07082	30.1
71.27129	13.6
79.05503	12.7
81.07064	57.4
83.08609	13.0
87.25961	6.5
91.05469	13.5
93.07063	41.6
95.08611	100.0
96.08887	8.6
98.64682	6.5
102.88452	6.2
105.07064	29.2
107.08594	67.7
109.10175	73.1
111.11755	7.8
119.08614	58.4
121.10168	50.7
123.11707	31.5
131.08580	13.7
131.57193	6.9
133.10138	40.3
135.11679	42.3
137.13310	12.1
145.10155	11.6
147.11699	56.6
149.13261	35.2
159.11705	14.7
161.13254	31.4
163.14835	13.5
166.92059	5.8
173.13374	9.0
175.14821	16.6
177.16467	12.7
180.54698	6.0
187.14819	15.3
189.16437	33.6
191.17976	21.6
201.16400	8.4
203.17989	82.7
207.17545	30.7
215.17989	11.7
217.19560	39.2
229.19508	20.6
231.20984	6.2
241.19531	6.7
243.21318	6.5
247.20604	14.6
270.64838	6.9
271.24203	9.4
407.36670	28.4
425.37778	71.7
443.33447	42.5
443.38959	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	443.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17410	2.7
53.03923	2.5
53.15399	2.6
55.05512	14.1
57.07074	6.4
58.32069	2.7
63.31900	3.1
67.05511	28.6
69.07079	25.1
69.48046	11.1
69.48473	10.2
79.05502	17.1
81.07062	57.5
82.08109	3.0
83.08617	8.5
91.05477	15.9
93.07053	43.5
95.08612	100.0
97.06539	4.4
97.10172	10.3
105.07030	31.8
107.08601	68.3
109.06470	3.2
109.10159	58.1
111.11723	3.3
117.07076	4.6
119.08581	49.0
121.06541	3.1
121.10149	55.4
123.08072	4.4
123.11722	30.9
129.06993	3.9
131.08574	8.7
133.10139	37.5
135.08063	4.3
135.11690	39.8
137.13266	15.7
139.69119	3.4
143.08540	3.6
145.10117	13.1
147.11700	35.0
149.13251	25.2
151.14845	4.4
157.10106	8.3
159.11723	16.4
161.13281	24.5
163.14844	33.3
165.09164	4.8
165.12694	3.6
171.11742	5.0
171.30821	3.1
173.13242	10.5
175.14874	17.3
176.15083	3.3
177.12711	9.4
177.16426	23.2
179.14310	8.5
185.13388	3.7
187.14761	14.4
189.16437	27.3
191.17963	56.3
199.14877	6.6
201.16402	11.6
203.14365	4.3
203.17964	34.0
205.15858	3.6
205.19478	6.1
207.17455	12.6
213.16240	4.4
215.18036	7.6
217.12305	13.1
217.19537	31.4
221.19049	11.8
225.16399	3.4
226.25705	2.7
229.19485	4.6
231.21005	4.3
235.20657	22.3
243.21140	4.0
247.20616	6.2
289.16519	3.3
379.29855	3.2
395.36652	8.7
397.30936	9.0
407.36896	6.4
413.37869	7.5
425.29727	5.6
425.38495	25.7
443.30734	7.2
443.35663	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05508	13.4
57.03447	1.6
57.07063	4.2
57.60543	1.4
64.52132	1.3
67.05168	2.3
67.05502	22.5
69.03419	2.3
69.07068	21.5
70.63716	1.2
71.04986	1.4
79.05488	14.4
81.06577	2.9
81.07057	50.8
81.91377	1.4
83.08612	8.8
85.06549	2.9
87.09255	1.4
91.05481	13.5
93.07041	34.0
95.05017	1.6
95.08606	100.0
97.06516	3.6
97.10165	8.9
99.08092	2.7
105.06390	2.1
105.07032	26.7
107.08592	59.6
109.06509	3.0
109.10159	60.2
111.08096	3.4
111.11744	3.1
117.06985	2.0
119.08581	38.3
121.06538	2.3
121.10143	52.1
123.08028	3.0
123.11701	28.3
125.09609	8.0
131.08577	5.1
133.10138	31.4
135.11688	42.8
137.09561	2.8
137.13243	9.5
139.11162	4.2
143.08562	1.9
145.10133	10.1
147.08086	1.6
147.11674	24.0
149.09625	1.7
149.13266	23.2
151.11150	2.3
151.14804	2.6
157.10115	2.3
159.11703	11.7
161.13242	21.2
162.03067	1.7
163.14838	34.0
165.09134	1.8
165.12721	2.3
171.11761	2.3
173.13275	5.6
175.11172	1.9
175.14810	17.5
177.16406	25.2
179.14328	4.7
185.13199	1.7
187.14812	14.7
189.16406	21.6
191.16171	3.2
191.17944	64.3
193.15871	2.4
201.16399	8.4
203.14342	2.9
203.17964	32.8
205.15952	4.9
205.19487	9.5
207.17432	12.0
213.16454	2.9
215.17905	6.6
217.15912	5.9
217.19516	41.0
219.17458	2.4
219.21039	2.4
221.18987	12.5
229.19588	4.7
231.17546	1.6
231.21088	4.6
233.15427	1.6
233.19009	4.1
235.20590	25.6
243.21101	2.4
245.18939	1.7
245.22667	4.3
247.20630	1.5
259.24414	2.1
263.23773	2.5
287.20108	1.3
311.20004	1.4
317.28464	1.4
376.53723	1.6
395.36749	9.3
397.30881	2.6
407.32745	2.7
407.37122	2.7
413.37952	8.3
425.38266	29.5
443.29645	6.9
443.35513	9.7
443.79526	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68257	3.0
53.03932	3.1
55.05518	20.9
57.03442	3.3
57.07056	5.4
67.05225	3.0
67.05508	33.1
69.07063	23.3
71.39373	5.1
71.58210	2.8
79.05471	15.5
81.07057	69.8
81.72292	2.6
83.04981	3.5
83.08597	10.9
91.05470	15.4
93.07034	35.6
95.04996	4.1
95.08607	100.0
97.06509	3.2
97.10155	11.2
101.06003	3.6
105.07034	30.1
107.08602	49.6
109.06544	3.4
109.10160	63.1
111.08078	4.4
111.11709	3.6
119.08582	45.9
121.10150	48.5
122.10416	3.8
123.08118	4.6
123.11699	25.7
125.09610	6.2
131.08559	7.8
133.10120	33.7
135.02180	3.1
135.08070	4.8
135.11703	40.8
137.13217	25.1
143.08546	5.9
145.10097	19.9
147.11707	21.4
149.13283	28.4
151.11223	3.4
155.08531	4.2
157.10132	5.9
159.11650	12.9
161.09666	3.3
161.13240	17.5
163.14801	19.2
165.12798	3.8
171.11742	3.2
173.13255	11.2
175.14821	18.1
177.12778	3.3
177.16353	13.9
179.10690	4.2
179.14268	6.4
183.11699	4.1
184.04387	3.7
185.13185	4.6
187.14850	14.6
189.16382	20.9
191.14336	4.3
191.17990	25.8
199.14893	4.4
201.16406	10.4
203.17984	16.9
207.17427	3.9
213.16255	4.7
215.17992	8.0
217.15857	3.6
217.19553	18.2
219.17430	4.6
221.18961	5.5
227.17809	3.5
229.14255	3.5
229.19539	7.2
231.21036	3.3
235.20581	8.1
245.18982	4.7
245.22792	3.0
255.20975	3.1
257.22696	7.3
269.22552	4.6
271.24164	8.2
283.24188	4.2
287.23407	3.5
358.39813	3.0
407.28918	5.1
407.37015	19.8
425.25693	7.5
425.30295	4.3
425.38263	24.5
443.26715	5.2
443.34814	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	443.3888
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03936	2.0
54.15546	0.9
55.05510	10.7
57.03439	1.9
57.07057	4.1
59.04983	1.2
63.23414	0.8
65.03938	1.2
66.57873	0.9
67.05508	23.9
69.03461	0.9
69.06725	1.7
69.07068	22.8
69.51438	6.7
71.08631	1.6
77.03907	0.9
79.05490	15.1
81.07059	54.0
83.08628	11.5
85.06527	1.7
90.47350	1.0
91.05479	13.0
91.44746	1.0
91.55776	1.1
93.06476	1.8
93.07049	36.3
95.04999	1.4
95.08611	100.0
97.06538	1.8
97.10154	7.4
98.21486	1.8
105.07040	29.5
107.08599	59.1
109.06541	2.3
109.10161	66.4
111.08058	3.3
111.11700	3.7
117.07030	2.2
119.07713	1.5
119.08583	40.5
121.10149	56.4
123.08079	0.9
123.11707	27.5
125.09634	6.0
125.13258	0.9
131.08577	3.7
133.10139	29.7
135.11699	38.1
137.13263	12.7
139.11212	2.2
143.08582	1.7
145.10135	10.5
147.08057	1.1
147.11694	24.4
149.13271	24.7
150.02542	1.0
151.11206	1.8
151.14807	2.4
159.11703	10.8
161.13258	23.9
163.11224	1.3
163.14822	34.2
165.12744	1.9
167.14249	0.9
171.11635	2.1
172.12328	0.9
173.13261	6.0
175.14810	19.0
177.16403	28.5
179.14345	5.6
179.17961	2.5
185.13232	1.6
187.14813	12.7
189.16408	23.6
191.17952	62.6
193.15858	1.9
201.16386	8.6
203.14302	8.4
203.17961	33.3
205.15858	2.0
205.19516	13.8
207.17442	11.2
213.16351	1.4
215.17952	6.5
217.19525	46.5
219.17442	1.7
219.21117	2.8
221.15414	1.5
221.19016	12.2
227.17874	2.1
229.19548	6.7
231.21080	5.9
233.19008	5.1
233.22601	1.4
235.17046	1.8
235.20584	21.7
243.21062	2.0
245.18967	1.4
245.22656	4.3
247.20595	3.0
257.22607	1.8
259.24203	1.3
263.23621	1.8
269.22534	1.1
271.24280	1.9
277.25504	1.2
283.24365	1.4
301.25232	1.2
395.36722	11.4
407.37103	6.9
413.37805	15.4
425.38159	30.4
443.38736	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	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.2
55.46046	1.7
57.07063	5.5
67.05180	3.2
67.05506	33.9
69.03420	3.9
69.07079	24.0
69.35419	13.3
71.04990	2.1
79.05492	17.7
80.69887	1.9
81.06585	3.6
81.07060	63.9
83.08609	11.9
85.06535	3.9
85.89828	1.7
91.05486	15.9
93.07041	43.3
95.04942	2.0
95.08614	100.0
97.06529	6.8
97.10161	7.5
99.08099	5.0
105.07029	30.6
107.08604	64.9
109.06511	5.7
109.10160	95.8
110.10520	1.9
111.08064	5.8
111.11704	6.3
113.09644	2.0
117.07018	2.3
119.06089	1.9
119.08592	46.9
121.06516	2.0
121.10146	64.4
121.11028	3.3
123.08069	6.3
123.11702	29.4
125.09631	6.9
126.09187	2.5
127.11221	3.7
131.08560	10.7
133.10143	39.0
135.08115	1.9
135.11687	44.0
136.12012	2.7
137.09633	3.4
137.13257	11.5
139.11137	2.6
142.07832	2.9
143.08601	2.1
145.10083	16.3
146.33444	1.9
147.08000	2.2
147.11696	32.7
148.12071	2.3
149.09596	4.7
149.13251	29.5
151.11259	2.3
151.14883	3.4
153.12692	4.0
157.10129	8.4
159.11679	22.3
160.39442	1.8
161.09607	2.2
161.13255	29.4
163.11147	3.4
163.14836	31.7
165.09048	2.4
165.12738	4.6
171.11650	5.2
173.13281	9.6
175.11163	2.6
175.14857	19.2
177.12758	2.2
177.16411	13.1
179.14345	11.8
179.17897	2.4
183.11748	3.1
185.13187	2.7
187.14777	15.0
189.16391	24.0
191.14362	2.0
191.17964	38.4
192.27895	2.0
193.15916	3.1
199.12991	2.0
199.14821	6.8
201.16441	10.0
203.14365	5.3
203.17966	21.8
205.15849	8.8
205.19519	8.6
207.17427	13.6
209.19070	2.3
215.17941	8.4
217.15950	9.2
217.19511	20.7
219.17412	5.4
221.18968	6.9
225.16365	2.0
227.17931	3.6
229.19431	4.2
233.18974	5.3
235.16931	7.1
235.20541	6.0
239.17902	2.5
241.19293	2.3
243.21078	2.5
245.22690	2.6
299.27191	4.1
315.26718	2.2
331.30423	2.6
339.29974	2.2
349.30170	2.0
379.34082	2.4
395.33084	2.2
407.33026	8.7
407.37512	3.2
419.96634	2.2
425.33466	10.5
425.38699	33.2
443.34949	62.2
444.35617	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03937	2.7
54.20102	1.5
55.05511	12.0
57.07064	6.6
67.05510	22.3
68.78373	1.8
69.07068	27.1
70.44820	1.5
70.98672	4.2
71.04984	1.8
71.08633	2.8
79.05488	11.6
81.03417	1.9
81.06585	3.1
81.07058	59.4
83.08635	14.3
85.06564	2.1
85.10214	2.2
91.05485	12.2
92.71031	1.9
93.07041	30.7
95.04960	2.0
95.08608	100.0
97.06546	2.6
97.10160	5.7
105.07028	28.2
107.08599	58.6
109.06530	3.0
109.10158	91.6
111.08061	3.9
111.11687	7.1
117.07025	2.0
119.07795	3.4
119.08579	39.2
121.09324	3.4
121.10144	48.0
123.08069	4.1
123.11715	32.1
125.09631	4.6
127.11207	2.7
131.08551	7.8
133.10127	30.9
135.08046	2.7
135.10695	3.0
135.11697	44.2
137.13246	15.1
139.11195	2.8
143.08543	4.1
145.10136	13.7
147.11690	22.8
149.09648	2.9
149.13249	28.3
151.11191	5.3
151.14780	2.4
153.12753	2.0
157.10025	2.6
159.11673	11.4
161.13258	22.3
163.14835	23.7
165.09109	3.0
165.12723	2.7
165.16435	1.8
171.11656	2.5
173.13260	9.1
175.14830	14.9
177.12746	1.8
177.16371	14.2
179.14365	4.1
179.17863	2.0
185.13254	3.7
187.14766	7.1
189.16374	22.4
191.14211	2.9
191.17989	18.1
193.15860	3.4
197.13435	1.7
199.14862	2.8
201.16425	12.2
203.14345	4.7
203.17978	18.6
205.15817	5.5
205.19501	10.3
207.17398	14.5
213.16322	4.5
215.17918	7.3
217.15819	3.5
217.19475	15.5
219.17390	4.2
219.21033	4.7
221.18900	2.1
227.17955	3.4
229.19481	5.0
231.17468	2.7
231.21078	6.1
233.15428	2.0
233.19029	3.5
235.20518	4.2
243.21088	3.8
245.19116	2.0
245.22597	3.6
261.22202	2.1
279.22986	2.3
285.25671	2.2
315.26279	1.8
407.32217	2.2
407.37213	12.4
425.32788	13.8
425.37759	18.3
443.33963	19.6
443.39761	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.03937	2.8
55.05507	12.9
57.03426	2.4
57.07072	5.2
59.05003	1.3
61.02919	3.9
65.03931	2.4
65.21885	1.3
67.05169	2.2
67.05509	27.1
69.03396	1.8
69.07068	32.1
69.40322	11.4
73.02907	1.9
79.05489	13.3
81.03431	3.0
81.07056	58.6
82.07407	1.9
83.08623	14.5
85.02896	3.4
85.70318	1.2
91.03973	3.0
91.05479	10.7
93.07047	33.0
95.04946	1.5
95.08609	100.0
96.08965	1.8
97.02872	3.2
97.03513	1.5
97.06520	2.7
97.10183	8.7
97.40176	1.5
99.08051	1.4
105.07030	22.7
107.08593	54.1
109.06580	1.7
109.10157	81.1
110.10477	1.7
111.08074	3.8
111.11700	11.2
117.06999	3.7
119.08572	35.9
119.09359	2.6
121.10141	54.9
123.08072	3.9
123.11707	38.1
125.05989	1.6
125.09556	1.4
127.03929	2.6
129.07033	1.7
131.08534	9.7
133.10141	25.4
135.08116	1.9
135.11685	36.4
137.09651	2.3
137.13251	17.4
143.08571	1.8
145.10121	15.0
147.08020	2.2
147.11687	24.9
149.09665	2.3
149.13269	22.6
151.11203	1.9
151.14812	2.0
157.10132	3.7
159.11700	13.9
161.13249	18.5
163.07788	1.7
163.14833	21.9
165.12784	2.1
165.16422	1.5
171.05048	1.6
171.11748	3.7
173.13264	13.2
175.11333	1.6
175.14824	25.6
177.16377	24.3
179.14342	4.5
179.17949	5.9
185.13329	4.0
187.14835	11.3
189.16396	16.7
191.14279	3.3
191.17961	17.9
193.15912	6.3
193.19511	3.3
199.14824	2.2
201.16348	12.1
203.14461	2.5
203.17946	12.3
205.15886	4.0
205.19475	14.2
207.17490	7.5
213.16388	2.7
215.17953	20.2
217.16019	2.7
217.19574	10.3
219.17468	6.6
219.21066	3.0
221.18877	1.6
227.17892	1.7
229.19484	11.4
231.21111	9.5
233.15350	1.9
233.19084	8.4
235.09991	2.7
237.18500	2.2
241.19521	3.1
243.21152	8.0
245.22705	6.0
247.20592	2.7
251.11316	4.0
255.21049	2.1
257.22546	2.8
259.24231	2.3
269.12332	18.7
269.22684	2.1
270.12738	3.0
271.24286	3.2
275.00165	1.8
283.24210	6.2
285.25784	4.9
292.13943	2.7
297.22458	1.8
311.26324	1.8
315.26883	2.2
316.12643	5.4
329.28250	2.5
397.38293	5.2
407.36826	34.5
422.20746	1.6
425.38031	86.1
426.37979	2.3
443.34204	11.8
443.38821	30.1
467.05527	1.5
467.54218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
56.96565	1.5
67.05497	3.0
69.07062	2.5
70.53909	3.5
79.05496	2.2
81.03382	1.2
81.07057	4.7
83.08651	1.5
85.22463	1.1
91.05521	1.4
93.07050	2.5
95.08594	5.2
97.02885	1.6
97.10174	1.1
98.20952	1.3
98.97613	2.4
100.78621	1.0
105.07019	4.3
107.08588	6.2
109.10158	3.2
110.10488	1.3
116.12617	1.1
116.98676	1.9
119.08584	2.8
121.10148	4.4
122.10508	1.6
122.80174	1.2
127.03886	1.1
131.08569	1.6
133.10136	2.9
135.11705	3.2
145.10123	3.1
147.11682	1.4
149.09610	1.3
149.13185	1.6
155.06030	11.0
159.11633	1.1
165.09119	5.9
167.05943	1.5
169.07619	21.6
170.06020	1.5
179.06041	6.1
181.07629	2.7
183.05528	12.0
185.07118	5.3
190.16664	1.3
191.17984	1.1
193.07628	7.7
194.06023	1.4
195.05537	14.6
196.06288	8.6
197.07108	15.0
198.05463	4.1
203.14334	1.1
207.05603	5.3
208.06281	1.2
209.07133	2.7
210.07864	1.1
211.05067	2.4
211.08722	3.4
213.06586	13.1
221.07066	12.2
225.06587	33.1
229.06122	15.1
237.06702	3.3
238.07326	3.5
239.04593	2.8
239.08150	16.3
241.06093	1.7
243.07655	3.9
247.16577	1.3
249.06606	7.2
253.06143	7.5
257.05621	3.8
265.06177	1.3
267.07651	12.0
269.05679	1.9
271.07114	19.2
277.06070	9.5
285.08676	23.9
295.07153	29.2
303.09433	1.3
313.08209	20.9
331.09222	4.7
338.14944	3.4
380.16110	6.8
384.15530	26.2
398.17099	16.1
426.16589	30.8
426.34219	1.4
443.34921	1.9
444.17676	100.0
444.35510	2.8
445.18512	1.7
445.25381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97937	5.8
55.01841	5.7
55.05504	16.6
57.07071	10.7
57.55113	6.8
59.04980	9.1
67.05496	48.3
68.05849	7.5
69.07070	58.9
69.43614	14.8
69.44038	36.0
70.07396	15.9
71.04980	20.4
76.63766	6.6
79.05502	15.0
81.07065	100.0
82.07394	32.1
83.08605	19.0
86.23904	6.8
87.28906	6.2
88.25035	7.4
91.05471	15.4
93.07082	37.1
93.50452	6.1
94.07381	9.3
95.04958	7.0
95.08606	95.8
96.08948	25.7
97.10167	13.2
105.07037	26.9
105.87724	6.0
107.08594	46.5
108.08939	15.1
109.10169	88.4
110.10498	30.6
111.11690	8.6
112.56255	6.3
119.08562	27.3
120.08968	11.5
121.10125	41.3
122.10442	10.6
123.11697	30.9
124.12060	15.3
125.09612	19.2
127.11194	23.5
128.11565	7.6
131.08568	6.7
133.10126	23.8
134.10431	13.5
135.11766	40.2
137.13245	24.3
138.13634	8.3
143.10696	8.2
144.29497	7.2
145.10062	15.0
147.11699	24.6
148.12018	16.7
149.13245	27.6
150.13576	8.2
155.10703	12.3
159.11705	12.4
161.13136	8.5
162.13603	10.7
163.14839	13.2
173.13255	8.8
177.16377	12.2
178.16693	11.8
189.16434	12.7
190.16702	10.2
191.17981	12.0
201.16235	8.4
203.18030	16.1
225.69609	6.7
426.38425	56.4
444.33704	14.1
444.39066	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	444.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54073	10.4
55.67924	10.1
55.74629	11.1
67.05496	27.7
69.07066	14.4
69.87786	54.7
70.07377	12.7
77.98428	11.4
79.05463	12.6
81.07057	53.7
83.08579	13.0
91.05442	18.4
93.07034	37.1
94.30458	10.5
95.08611	72.8
96.08933	15.4
97.10197	14.8
98.20821	12.7
105.07000	25.7
105.60796	13.0
107.08572	53.6
108.08907	25.4
109.10155	68.6
110.10503	24.3
116.20236	11.2
119.08591	27.0
120.08959	11.7
121.10163	36.2
122.10463	18.3
123.11722	23.0
133.10127	32.8
134.10510	28.9
135.11699	24.2
136.12079	20.3
137.13258	15.0
147.11671	34.8
147.21819	13.1
149.13206	14.1
150.13585	12.2
161.13225	16.2
177.16499	11.7
180.02008	13.2
189.16388	16.2
190.16681	17.6
191.18044	12.9
203.17944	47.7
204.18254	54.0
207.17462	24.5
208.17757	20.8
218.19855	23.7
229.19385	21.9
248.20961	17.3
309.60959	12.4
408.37051	32.2
426.38132	100.0
444.33646	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1111
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
52.39216	2.9
54.73399	2.7
55.01853	3.1
69.03441	4.6
69.53674	21.4
73.91544	2.9
85.02905	16.0
86.06126	3.8
87.09235	2.8
87.70025	3.0
93.60677	2.7
97.02910	5.1
98.21489	4.3
119.23692	3.4
126.33697	2.9
127.03951	7.2
143.01968	5.4
145.04982	4.6
173.03014	3.4
185.02933	3.5
245.05179	4.5
267.67200	3.0
273.08344	11.6
273.58401	4.3
445.11292	100.0
445.18506	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	445.3679
Annotation	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate
Peak:m/z	Relative Intensity
53.03944	10.0
55.05514	49.0
57.07071	70.2
67.05497	26.6
67.20091	5.3
69.07068	95.1
70.64924	12.0
70.65254	13.0
71.04987	6.6
71.08622	47.4
79.05493	26.9
81.07061	90.2
83.04977	7.2
83.08625	71.3
85.06579	5.7
85.10183	18.2
91.05479	23.5
93.07049	35.5
95.08163	6.5
95.08623	72.9
97.06536	6.4
97.10165	49.1
105.07015	18.4
107.08573	34.9
107.13129	5.5
108.85784	7.5
109.06506	6.0
109.10155	49.7
111.08083	13.7
111.11700	27.7
117.07018	10.5
119.08585	32.0
119.47918	5.5
119.82192	5.3
121.06522	8.4
121.10138	21.8
121.68774	5.5
123.08072	13.0
123.11729	16.8
125.13242	8.5
131.08534	14.2
133.10120	16.7
135.08069	42.0
135.11723	13.8
137.05969	16.0
137.09613	8.5
137.13266	7.3
139.07558	100.0
143.08635	8.1
145.10048	13.9
147.08060	11.2
147.11699	10.4
149.09608	22.6
149.13239	19.6
151.07521	22.6
156.09323	6.1
157.10143	11.4
159.08049	8.3
159.11690	13.6
161.09576	16.2
163.07500	10.2
163.11237	10.8
163.14845	22.5
163.69881	6.8
165.05453	14.3
165.09126	84.3
167.54788	6.3
167.56250	6.0
171.11697	12.9
175.07521	13.5
175.11191	19.4
177.09135	20.3
177.16359	8.1
179.07066	14.3
185.13286	10.5
189.09135	8.4
189.12732	10.5
191.10745	10.0
193.08620	20.1
199.11209	7.1
203.10635	18.9
203.14278	9.6
205.12230	16.0
215.14359	6.4
219.13800	7.2
221.11813	7.1
231.13788	12.1
245.15384	8.7
263.19949	5.9
289.28860	10.9
307.29971	19.1
341.32111	7.0
381.35211	14.7
385.34567	7.9
399.36102	23.6
409.34573	12.6
417.37146	9.4
427.35629	35.7
445.36823	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.8
57.03431	1.2
57.07066	2.9
64.62212	0.8
66.48370	0.9
67.05511	11.9
69.03455	0.9
69.07075	14.9
69.94846	4.0
71.04993	2.4
79.05492	8.2
81.07067	24.8
83.08625	5.0
85.06559	1.8
91.05475	5.7
93.07054	18.7
95.04971	2.6
95.08614	65.5
97.06541	16.2
97.10172	4.7
98.21432	1.4
99.08102	5.8
105.07040	20.2
107.08601	28.3
107.09299	1.7
109.06517	3.1
109.10168	25.8
111.08095	6.3
111.11731	10.4
113.09641	1.5
115.10784	1.0
117.07026	2.9
119.08589	29.6
121.10157	35.8
121.11045	1.9
123.08083	9.5
123.11723	18.1
125.09641	2.5
131.08568	6.6
133.10149	20.9
135.08080	3.0
135.11702	28.7
137.09645	3.9
137.13251	4.1
139.07607	2.0
139.11198	3.3
144.09439	0.8
145.10133	18.6
147.11711	12.5
149.09644	2.2
149.13272	6.6
159.11711	33.0
161.13261	13.9
163.11165	3.3
163.14865	3.0
173.13293	11.5
175.14848	13.6
177.12794	1.9
177.16428	2.4
177.22095	0.9
179.14363	3.7
189.12778	0.9
189.16376	12.5
191.17963	87.0
193.16077	1.2
201.16394	28.6
203.18074	1.1
207.17479	3.8
209.19028	100.0
210.19434	1.5
219.17464	19.5
235.16982	2.6
237.18518	32.1
250.21666	1.9
363.15125	0.9
409.30786	2.1
427.36133	1.4
445.36810	81.2
446.37180	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	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72883	0.6
55.01852	0.8
55.05510	5.8
57.03414	0.8
57.07064	2.4
67.05503	9.3
69.07065	12.7
70.17664	3.0
71.04968	1.9
79.05496	6.0
81.06585	1.5
81.07058	25.0
83.08621	4.8
85.06525	3.2
85.52753	0.7
91.05499	4.8
93.07041	15.1
95.04959	3.5
95.08605	49.8
97.06530	12.4
97.10168	3.8
99.08109	3.5
105.07037	13.2
105.07726	0.6
107.08598	24.8
107.79994	0.7
109.06509	2.2
109.10158	24.4
111.08083	5.4
111.11724	7.9
113.09628	1.6
117.07014	2.5
119.08575	20.4
121.06458	1.1
121.10146	24.8
123.08086	6.3
123.11707	17.8
125.09634	2.3
130.07785	0.7
131.08578	4.8
133.10130	16.2
135.08089	1.4
135.11697	19.9
137.09595	2.5
137.13234	4.9
139.07552	7.0
139.11119	3.4
145.10126	12.0
147.11673	8.6
149.09616	1.9
149.13243	4.2
151.14807	1.1
153.09111	0.7
153.12709	1.0
157.10161	1.3
159.11693	22.2
161.13249	9.9
163.11179	2.2
163.14799	1.6
165.09122	0.8
171.11713	1.0
173.13268	8.7
175.11208	0.9
175.14815	9.8
177.12733	1.7
177.16412	2.7
179.14307	2.7
187.14827	1.1
189.16376	12.9
191.17953	30.2
193.15862	0.9
193.19556	1.4
201.16368	17.5
202.40390	0.8
203.18039	0.9
207.17493	2.7
209.19003	34.5
217.15884	6.4
219.17427	13.7
235.16907	13.5
237.18483	8.9
277.27240	0.8
392.68448	0.7
409.34573	1.6
427.35413	3.4
445.36774	100.0
446.36874	2.3
447.50378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05513	16.7
57.07070	10.5
59.05001	19.2
67.05505	27.2
69.07075	29.4
70.16093	6.0
70.16481	9.1
76.75111	2.8
79.05504	18.7
80.05840	2.9
81.07067	58.0
83.08618	16.2
85.06543	3.9
91.05472	11.1
93.07043	46.7
94.07383	3.1
95.08606	88.3
97.10153	10.0
105.07027	22.7
107.08592	94.5
109.10163	80.4
111.08068	4.1
111.11758	5.7
119.08599	33.5
121.10144	100.0
121.86154	3.3
123.08071	5.5
123.11729	34.3
131.08546	6.0
133.10152	31.7
135.08092	4.7
135.11707	53.4
137.09567	3.7
137.13258	25.1
138.25102	3.4
139.07581	5.3
145.10106	8.6
147.11693	32.8
149.09554	6.5
149.13264	40.9
153.09117	25.1
157.10014	3.3
159.11630	9.4
161.13277	23.0
163.11150	4.2
163.14813	41.4
165.09114	8.4
167.10667	19.6
169.10161	3.5
173.13268	6.3
175.14882	16.3
177.12698	3.5
177.16408	35.9
179.14363	5.3
181.12192	10.6
187.14816	5.8
189.16316	26.2
191.17961	76.1
193.12268	4.9
195.13788	4.8
203.17944	30.8
205.19553	23.3
207.17503	3.7
209.15387	10.1
217.19518	37.4
217.85548	3.2
221.15434	6.1
223.16922	20.4
223.76408	3.4
229.19412	4.1
231.21025	10.7
235.16827	5.2
237.18301	8.1
245.22617	5.7
257.22607	6.0
263.20294	3.7
345.27805	4.2
361.22488	3.4
367.33459	5.6
387.16144	4.4
387.32547	14.6
391.33643	5.3
397.34396	3.4
409.34442	15.0
427.35791	85.3
445.20218	34.4
445.37143	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3681
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.05517	9.5
56.64461	1.1
57.03419	1.9
57.07074	3.5
60.92113	1.2
65.45016	1.2
66.92123	1.1
67.05502	7.4
68.38537	1.3
69.07071	12.4
69.20501	13.1
71.08611	3.4
76.73528	1.3
79.05477	2.4
81.07053	18.3
83.08631	9.9
91.05484	5.0
93.07032	9.1
95.08613	34.7
97.06508	1.4
97.10173	4.7
98.21499	3.4
105.07047	7.3
107.08612	16.5
109.06530	1.2
109.10163	24.8
111.08102	4.8
111.11713	3.6
111.62213	1.4
119.08588	12.0
121.10158	10.6
123.11704	7.7
125.13297	1.4
131.08528	2.5
133.10117	11.2
135.11688	10.2
137.09648	4.6
137.13261	3.7
139.07590	1.2
145.10114	2.8
147.11696	12.7
149.09615	3.7
149.13281	4.5
151.14722	1.8
159.11717	2.7
161.13284	6.3
163.11166	2.5
163.14835	3.2
164.08244	1.4
165.09129	40.3
165.10519	2.1
173.13351	2.2
175.14864	3.8
177.09126	1.8
177.16408	1.9
181.20172	1.3
187.14743	2.4
189.09114	1.3
189.12746	1.2
189.16399	2.2
191.10699	3.4
191.17972	1.4
203.10677	1.8
203.14278	1.3
203.17953	20.7
204.18492	1.4
205.12271	3.5
207.17426	2.7
214.70660	1.2
216.36098	1.2
305.24802	19.2
359.45187	1.4
383.34140	1.5
405.70395	1.6
409.34683	2.0
415.15259	1.7
427.35416	9.7
428.36392	1.7
430.17911	2.9
445.20010	22.3
445.36807	100.0
446.20895	1.6
446.37775	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	445.3676
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
55.05507	6.0
57.07079	3.3
67.05518	6.6
67.34030	1.3
69.07068	10.8
69.93845	4.6
71.04962	1.3
71.08633	2.7
79.05498	4.6
79.21095	1.2
81.07058	17.8
83.04985	2.1
83.08608	6.0
85.06509	1.1
87.58879	1.7
89.79716	1.2
90.88612	1.3
91.05488	5.0
93.07049	10.7
95.08613	21.1
97.06522	2.2
97.10173	4.3
105.07044	9.3
107.08603	18.9
109.06545	1.4
109.10159	12.3
111.08095	6.2
111.11684	2.0
119.08587	14.9
121.10154	9.8
123.08120	1.9
123.11697	6.3
131.08546	1.6
133.10155	11.2
135.11713	6.3
137.09628	3.1
137.13251	1.6
139.07539	5.6
145.10133	2.6
147.11708	10.8
149.13260	5.0
155.10635	1.3
159.11714	2.7
159.69623	1.3
161.13261	5.4
163.14835	4.3
165.09128	12.5
166.09546	1.4
175.14842	3.6
177.16446	3.3
187.14851	1.5
189.16455	4.2
203.17967	11.6
205.12335	1.4
207.17511	2.8
213.50380	1.3
219.30963	1.5
221.18983	3.0
225.18530	2.2
229.28435	1.5
307.29944	2.2
387.15802	1.4
387.52704	1.3
389.18292	1.3
427.35641	4.9
445.20154	12.3
445.36801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
53.03934	3.1
55.05515	14.5
57.07071	6.0
57.49702	2.1
67.05513	24.5
69.07067	19.3
71.04999	3.6
71.53000	2.7
73.02905	2.3
79.05488	12.5
81.03419	3.5
81.06590	3.5
81.07062	53.6
83.08628	13.4
85.06540	5.6
91.05448	12.8
93.07053	24.6
95.08611	100.0
97.06544	3.8
97.10161	8.4
105.07033	21.4
107.04929	2.5
107.08588	32.4
109.10162	52.4
111.08071	3.2
111.11721	4.5
117.06998	3.6
119.08580	26.7
121.10148	32.8
123.08064	2.4
123.11697	40.5
127.11211	4.6
131.08585	7.4
133.10136	23.0
135.11703	25.4
137.09656	2.9
137.13272	14.9
139.11142	2.5
143.08560	3.7
145.10126	12.1
147.11696	18.8
149.13257	16.9
151.14844	5.7
157.10086	3.6
159.11723	11.6
161.13222	13.8
163.11206	4.1
163.14836	19.5
173.13306	6.8
175.11281	2.3
175.14833	9.9
177.16422	10.9
181.15858	4.5
187.14803	10.1
189.12685	3.0
189.16397	8.6
191.17952	5.2
193.19540	6.0
197.13309	3.2
201.16415	13.4
203.17970	17.5
205.15811	6.4
205.19568	3.3
207.17473	6.5
213.16357	2.6
215.14250	2.9
215.17920	3.6
219.17493	10.0
221.19025	19.7
227.12749	3.1
227.17995	2.8
229.19429	5.6
231.21053	3.0
233.15408	8.8
237.18452	6.3
239.20073	7.2
247.20557	4.4
249.22186	3.4
250.04289	2.6
275.23831	3.1
281.22659	2.5
303.26773	3.1
334.48215	2.4
381.35001	3.6
391.33636	3.7
399.31546	2.7
399.36279	46.1
408.31339	2.5
409.30142	4.6
409.35144	27.0
427.35977	58.2
445.20566	4.2
445.29233	7.8
445.37106	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	445.3679
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05514	14.2
56.24723	2.3
56.96560	2.5
57.07070	4.6
61.61729	2.4
65.03919	2.6
67.05508	23.8
69.07069	20.4
69.35282	20.4
71.04989	4.0
72.10635	2.3
79.05492	11.6
79.95998	2.7
81.03397	2.6
81.07056	41.3
83.08633	11.0
85.06522	3.6
90.63581	1.9
91.05469	13.9
93.07047	25.8
95.08610	100.0
96.35827	2.3
97.02911	3.0
97.06548	2.6
97.10143	7.9
99.08057	3.3
103.69370	2.7
103.73061	2.2
105.07043	24.2
107.08601	29.1
109.06460	2.8
109.09466	3.3
109.10161	43.4
111.08073	2.8
111.11718	4.0
111.88087	2.5
117.07045	2.3
119.08570	27.9
119.83636	2.2
121.10145	31.8
123.11713	40.6
125.13223	2.4
127.11162	4.1
129.06924	2.7
131.08559	3.4
133.09308	2.5
133.10147	20.4
135.11708	17.7
136.52664	2.1
137.09557	2.5
137.13277	15.7
145.10118	13.2
147.11752	13.6
149.13278	15.7
151.14848	5.6
159.11667	11.4
161.13177	10.8
163.14832	15.2
171.11740	4.2
173.13269	7.0
175.14803	14.3
177.16411	12.4
179.14362	3.1
181.15904	4.3
187.14789	7.9
189.16377	9.6
191.17908	3.8
193.19539	6.5
201.16405	7.1
203.17990	19.0
205.15990	3.8
207.17435	4.2
217.19487	3.9
219.17378	9.1
221.19080	18.4
223.16823	2.8
227.17905	2.6
231.21066	4.5
233.15343	9.8
237.18480	4.0
239.20103	6.8
243.21089	3.9
245.18944	2.7
247.20558	5.5
249.22086	2.9
257.22757	3.0
271.08530	2.4
303.27005	2.4
321.17288	2.4
381.35284	5.0
391.33786	3.9
399.31458	3.4
399.36218	45.7
409.29895	3.9
409.35101	25.5
427.35867	64.9
445.20953	2.8
445.29034	5.0
445.36502	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	445.4041
Annotation	CHEBI:69206
Peak:m/z	Relative Intensity
55.05515	17.0
57.02302	3.4
57.07083	17.3
58.83153	3.0
67.05511	26.0
67.05815	5.1
69.07069	35.6
71.04995	8.3
71.08633	4.2
79.05476	10.7
81.06588	5.6
81.07058	96.4
83.08614	17.0
85.10176	4.4
91.05501	6.5
93.07041	29.5
95.08613	100.0
97.10162	16.2
105.07015	10.1
107.08597	41.6
109.10155	63.6
111.11723	3.9
112.86644	3.0
119.08572	16.9
121.10161	31.5
123.11726	39.7
123.91091	3.0
127.11182	13.9
133.10118	7.7
135.08043	5.8
135.11685	27.8
137.05963	8.0
137.13263	41.4
139.07527	5.4
143.10709	4.2
145.10208	3.5
147.11621	9.4
149.13240	28.1
151.07578	4.6
151.14783	7.1
153.12770	4.1
159.11723	3.3
161.13293	12.5
163.14790	22.1
165.09177	4.6
173.13243	2.9
175.14864	9.9
177.16345	11.0
179.17918	3.4
184.01231	2.9
189.16399	6.5
191.17955	12.4
193.15939	4.6
201.16408	3.3
203.17905	5.0
205.19514	5.1
217.19495	10.4
219.21049	6.6
231.21022	4.1
233.22581	4.1
277.25089	3.8
287.27298	7.4
303.26886	4.8
329.60342	3.3
409.38107	4.9
417.37210	4.5
427.39471	52.0
445.29385	3.2
445.35806	3.9
445.41269	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	446.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09966	1.6
52.79716	1.8
53.03930	3.8
56.05024	5.8
57.03444	3.5
69.03423	5.4
69.07059	4.5
70.06597	1.9
71.05026	2.0
71.53500	2.6
72.08152	5.0
73.02917	2.3
73.04756	4.2
74.06085	100.0
81.03420	8.7
83.04991	4.9
84.04519	3.7
85.02909	10.1
86.09227	3.2
86.09714	46.4
91.05790	6.1
97.02887	8.0
98.06070	10.1
98.97562	3.9
99.04426	2.1
102.05542	6.3
109.02894	9.0
111.04469	2.2
114.05554	2.1
116.07098	48.7
120.06603	18.1
120.08106	2.2
121.02888	4.8
127.02988	2.4
127.03922	41.0
128.04245	13.3
137.05968	4.0
139.03935	3.8
139.07539	2.0
144.06564	56.8
145.04942	5.3
152.07129	3.3
153.01819	9.4
154.04942	2.6
162.07663	8.5
163.07539	3.0
167.05664	2.9
167.07018	2.2
180.16414	1.8
184.05824	6.5
196.36334	1.7
226.07004	1.7
229.01303	2.2
231.03052	1.9
231.06613	2.1
246.09813	3.5
247.02538	2.3
256.05209	2.0
256.07965	3.6
257.00937	3.1
270.09720	11.2
275.01877	4.1
277.03323	2.6
284.05576	4.3
284.11249	3.0
284.14835	2.5
285.00296	3.9
286.09085	6.7
288.10904	8.9
303.01352	27.2
304.01715	7.5
306.11884	3.4
328.10089	13.2
346.11087	37.9
360.02917	3.1
362.00409	2.6
379.01541	3.7
380.01849	5.6
381.01419	4.4
403.01440	4.7
404.01520	8.7
405.01477	6.4
446.10754	14.5
446.16348	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	446.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	7.2
57.03429	2.7
69.03423	2.6
69.64603	1.8
69.64990	2.3
70.06598	2.3
72.18758	0.8
73.02914	1.0
74.06083	100.0
78.11527	0.8
81.03416	3.2
84.04508	4.4
85.02898	3.6
86.06061	1.0
86.09729	4.6
91.05828	1.2
93.27718	0.9
97.02893	3.0
98.06046	9.0
98.97581	1.7
99.04439	0.9
102.05555	6.4
109.02892	6.9
114.05466	1.2
116.07099	47.7
120.06582	18.5
124.03979	2.3
127.03938	2.3
131.04939	1.0
144.06567	57.3
145.04977	2.0
147.06451	0.9
153.01875	1.7
161.88046	0.7
162.07648	9.0
203.06985	1.2
204.08685	2.0
228.08655	1.7
231.06531	3.7
234.09660	1.0
234.62543	0.9
240.08661	1.7
246.09732	4.5
249.07594	1.4
264.10788	2.3
270.09756	13.7
284.05676	2.1
288.10779	6.8
303.01401	3.7
304.01663	1.2
306.11783	3.0
352.61319	0.8
404.01797	1.2
446.10785	6.9
446.15424	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	447.2206
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
53.03947	0.6
55.01871	0.5
55.05521	2.7
56.96552	0.5
57.03439	0.5
57.07075	0.4
61.02920	0.6
63.42905	0.3
66.93764	0.3
67.05509	2.3
69.03433	1.5
69.07078	2.0
71.05002	0.7
71.40063	0.4
73.72977	0.3
79.05506	1.9
81.03435	2.4
81.07063	3.9
83.04982	1.3
83.08601	1.0
85.02918	1.4
85.06532	0.7
91.03944	0.4
91.05498	1.4
93.07052	2.5
95.04965	1.5
95.08604	2.7
97.02894	1.3
97.06536	0.7
97.10196	1.7
98.97576	0.3
99.04440	0.4
100.11263	1.1
104.98914	0.4
105.07051	2.7
107.08611	2.6
109.02879	3.2
109.06525	1.1
109.10160	2.4
110.07780	0.3
111.04431	1.9
111.08102	0.6
111.11743	0.5
115.05515	0.4
115.40302	0.3
117.07024	0.9
119.08599	2.0
121.06516	0.5
121.10172	1.9
123.08102	0.9
123.11729	1.0
125.05992	0.7
125.09639	0.9
127.03960	0.8
129.07028	0.5
131.08583	1.4
133.06535	0.5
133.10133	1.7
135.08028	0.7
135.11737	1.6
137.05983	0.8
137.09685	0.5
139.11194	0.7
143.08565	0.9
145.03439	0.4
145.04968	0.4
145.06441	0.4
145.10167	1.9
147.08096	0.5
147.11699	1.4
149.09631	0.9
149.13293	0.7
151.07588	0.5
151.11171	0.7
155.08585	0.4
157.10185	0.9
159.11711	0.9
161.06029	0.4
161.09642	0.6
161.13295	0.5
163.07584	0.4
163.11197	1.0
165.09160	0.9
165.12914	0.4
167.07066	0.8
169.10179	0.5
171.11734	0.5
173.09566	0.5
173.13313	0.3
175.11258	0.8
179.10719	0.4
181.08733	0.3
181.12273	4.3
182.15419	0.6
185.13321	0.5
187.11153	0.5
187.14789	0.5
189.12837	0.4
193.12248	0.6
198.14880	0.5
199.13319	0.4
203.10712	0.4
210.14909	0.6
211.13303	0.4
213.12885	0.4
223.14885	0.3
230.08995	0.3
231.13680	0.4
240.50569	0.3
267.09088	0.5
285.10156	1.4
315.17908	0.9
324.11542	0.7
381.92621	0.4
410.98077	0.3
429.26498	1.2
438.18054	0.5
438.83408	0.4
447.22076	100.0
447.27151	5.0
448.22433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03932	4.6
55.01855	4.9
55.05270	1.2
55.05515	18.1
56.96566	2.2
57.03435	8.5
61.02927	1.8
65.03943	2.1
67.05505	42.5
69.03441	6.2
69.07064	8.9
70.53900	3.7
71.01360	2.6
71.04992	5.6
73.02892	1.8
75.30980	0.9
79.05494	37.5
81.03419	60.8
81.07058	27.0
83.04991	7.5
83.08616	17.4
85.02876	2.4
85.06541	2.6
91.03960	1.7
91.05477	27.3
92.42080	1.1
93.07040	36.1
95.01338	1.1
95.04970	26.4
95.08601	10.5
97.02884	3.2
97.06522	6.9
97.10184	10.6
99.04449	2.1
99.08083	2.4
105.04482	1.6
105.07025	20.2
107.04964	9.6
107.08592	22.3
109.02893	1.8
109.06497	3.9
109.10152	8.0
111.04425	2.1
111.08085	6.2
115.05447	2.3
117.06996	9.1
119.04907	2.2
119.08581	14.5
121.06504	6.8
121.10118	9.3
123.08044	3.0
123.11710	1.7
125.09627	5.5
127.03930	1.7
128.06197	1.2
129.07010	11.9
130.07738	1.5
131.04938	2.9
131.08559	11.6
133.06493	4.7
133.10092	7.7
135.08072	4.9
135.11690	27.6
137.09601	2.7
141.06952	1.7
142.07787	2.4
143.08571	5.4
145.06482	5.0
145.10150	9.7
147.08061	4.5
147.11687	4.3
149.09634	4.4
151.07625	1.2
155.08583	3.9
157.10130	9.7
159.08026	2.4
159.11690	3.5
161.09650	1.6
161.13216	1.5
163.11203	7.4
165.12694	1.5
167.08681	1.5
169.10196	3.2
171.11841	1.6
175.11166	5.7
175.14816	1.6
175.48729	1.2
177.12704	1.9
181.10208	1.5
181.12224	4.1
183.11809	2.0
185.13264	4.5
187.11191	3.4
189.11220	3.2
193.10576	0.9
193.12250	23.1
195.11665	1.4
197.13193	1.1
201.12796	1.5
203.10695	1.5
203.14337	4.2
205.12279	2.1
215.14262	1.6
219.01921	1.1
224.52386	1.1
225.12674	1.7
227.12642	1.5
229.15939	1.5
249.14893	3.5
261.14923	1.2
269.10657	3.5
275.16537	1.4
293.21149	1.9
316.11871	3.1
327.22977	1.7
329.20975	5.8
337.21722	5.3
347.22290	1.7
355.22681	10.0
373.23767	5.8
391.25040	1.4
403.24969	9.7
429.26477	12.1
442.48260	1.2
447.27435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01875	0.9
55.05515	1.9
57.03439	9.3
59.05011	0.6
61.02937	2.0
69.03432	3.7
69.21155	2.0
69.21577	1.5
71.01371	0.9
71.04996	68.3
73.02923	3.3
75.04484	4.4
81.03428	1.3
81.07059	0.8
83.04985	7.3
85.02908	100.0
87.04473	2.3
91.03954	0.7
91.05489	0.6
93.07052	0.9
95.04978	0.4
95.08618	0.5
97.02889	5.4
98.97583	0.4
99.04494	2.0
101.06011	0.7
103.03942	1.2
105.07040	2.0
109.02873	1.6
111.04450	4.7
115.03965	0.9
119.08591	0.6
121.10178	0.5
121.74785	0.3
127.03922	6.2
129.05484	44.0
133.05020	0.6
137.05977	1.1
145.04948	6.5
146.08096	1.6
147.06523	25.8
151.03850	0.5
163.06021	3.1
164.09183	6.7
165.07579	0.6
180.08563	0.6
189.09096	0.4
201.79599	0.4
225.07680	0.4
237.07443	1.0
255.08667	2.8
273.09653	2.5
285.13171	1.3
287.05441	3.8
302.15842	0.7
303.04980	2.4
309.11877	2.5
321.11969	0.4
361.03760	1.7
370.07617	0.4
379.04822	0.5
449.19891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	6.0
60.90506	3.7
62.06084	6.2
71.04988	15.3
71.53933	5.5
81.74848	4.0
85.02907	29.2
97.02839	5.3
98.97576	4.6
105.07045	27.4
107.08627	4.6
127.03877	7.3
129.05479	9.1
133.06505	25.0
137.05974	44.6
145.05032	4.4
147.06462	3.8
152.24825	4.2
163.07494	4.6
165.09190	18.4
165.10368	3.4
165.52277	3.7
174.06961	3.8
183.10202	13.2
189.09143	7.6
219.10150	31.2
241.32535	4.2
257.13873	100.0
268.15973	3.9
287.05307	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35313	0.4
55.05485	0.5
56.96549	0.7
57.03429	0.4
57.07077	5.7
58.06572	2.0
67.05495	0.7
69.07037	0.8
70.06592	16.4
71.08621	3.4
71.40198	0.8
72.08134	0.5
75.89023	0.4
79.05491	0.9
81.07063	2.5
84.08128	0.9
85.10130	0.7
86.44402	0.5
88.07633	19.9
91.05492	2.1
93.07005	1.2
95.08620	0.8
102.09184	13.3
104.02607	1.4
105.07042	0.6
107.08580	1.1
118.04145	0.6
119.04922	1.5
119.08569	0.6
121.10143	0.7
132.02075	7.9
135.11665	0.7
136.01563	4.7
136.47961	0.5
147.04414	24.2
148.05197	2.4
149.02338	0.8
175.03909	42.5
176.04640	2.1
180.04173	9.0
191.07022	2.3
193.04930	0.9
198.90318	0.5
201.31757	0.5
208.05418	0.4
219.06526	72.9
220.06889	0.8
256.26355	41.9
257.26691	1.0
292.89066	0.5
299.05582	0.8
329.06796	0.5
371.70416	0.5
413.30511	0.6
448.30603	100.0
449.30704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01864	0.6
57.03447	0.9
61.02927	1.6
68.99790	0.4
69.03430	3.1
69.80672	0.2
70.87040	0.4
71.04987	0.6
73.02908	0.7
74.34162	0.2
80.44586	0.2
81.03416	1.9
83.01325	0.2
85.02906	9.5
87.04467	0.4
91.03946	0.5
97.02893	3.0
99.04456	0.5
105.03339	0.2
107.04923	0.3
109.02861	1.1
111.00809	0.8
121.02863	3.0
127.03922	2.0
133.02838	0.5
134.97249	0.2
137.02325	0.9
145.04927	1.6
145.05937	0.2
145.06549	0.2
147.04401	0.6
153.01825	4.3
157.06496	0.6
161.05913	0.3
164.07060	0.4
165.01852	1.6
171.04430	0.2
183.02902	0.8
185.05978	0.6
189.05426	0.3
213.05533	1.4
231.06525	0.8
241.04942	1.0
246.14865	0.7
258.05283	1.2
259.06036	0.4
266.37326	0.2
269.04425	0.2
287.05496	100.0
288.05798	1.4
299.05576	0.4
329.06567	0.3
361.02179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	SCHEMBL4227921
Peak:m/z	Relative Intensity
53.03932	0.4
55.01876	0.5
55.05505	0.5
56.96555	0.5
57.03438	8.2
61.02916	0.6
65.03925	0.6
67.05489	0.8
68.99809	0.6
69.03413	1.5
69.07038	0.4
70.06596	0.5
71.01339	0.4
71.04979	1.2
72.03039	0.4
73.02921	5.6
74.09712	0.4
74.81891	0.4
75.04483	24.4
79.05474	1.0
81.03412	1.2
81.07043	1.3
83.04972	0.4
85.02433	0.6
85.02905	7.6
85.06541	0.7
91.05456	0.8
93.07036	0.8
94.97129	0.3
95.04974	0.9
95.08598	0.9
97.02905	0.6
98.97591	0.5
103.05505	0.4
105.07036	0.9
107.04951	1.9
107.08577	0.6
109.02891	0.7
109.06474	0.6
109.10157	0.6
110.06059	0.4
111.00806	1.3
111.04423	0.4
115.03899	0.7
115.05457	0.4
117.06953	0.3
118.24661	0.3
119.04975	0.3
119.08583	0.4
121.02881	1.4
121.06472	0.4
121.10138	0.5
122.03659	0.7
123.04429	1.0
124.05247	0.5
127.03903	1.2
129.05415	0.6
131.04939	0.5
131.08539	0.5
133.10155	0.4
135.04454	0.7
135.11674	0.6
136.05185	0.4
137.02328	3.5
137.06001	0.8
139.03957	0.4
139.07573	0.5
141.06946	0.4
144.05798	0.4
145.06448	0.7
147.04442	0.5
149.02390	0.5
150.77368	0.4
151.03874	0.9
151.07582	0.4
152.04671	1.0
153.01836	5.5
155.04883	0.4
157.07607	0.4
157.10139	0.5
159.08034	0.5
161.05960	0.5
163.03929	0.5
163.07591	0.4
165.01862	2.4
166.02669	0.4
166.06239	1.6
167.07054	3.7
173.06009	0.7
175.07539	0.5
181.04991	0.7
181.08585	1.9
183.02895	0.9
183.04399	0.5
185.05934	0.5
187.03937	0.7
187.07573	0.7
191.07036	0.5
195.06523	8.1
201.05409	1.9
203.06999	0.6
204.07777	0.7
205.05042	0.5
213.05513	0.4
217.04904	0.8
219.06421	0.4
219.10236	0.5
229.04959	4.9
233.07997	0.8
235.09636	0.9
247.05965	0.6
247.09657	5.7
257.04401	2.8
274.04742	0.9
277.10776	1.6
285.03912	1.7
287.05502	15.4
287.13782	0.5
299.05466	0.8
302.04251	1.9
303.04993	100.0
304.05316	1.5
305.05527	0.4
317.06573	17.4
324.36261	0.3
325.07190	0.5
329.06647	0.7
357.17819	0.3
369.13809	0.4
394.19235	0.4
401.15799	1.2
431.17059	4.9
435.10236	0.4
449.10736	1.4
449.31512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Quercetin 3-O-rhamnopyranoside
Peak:m/z	Relative Intensity
51.79884	0.6
55.01861	1.7
55.05504	1.8
57.03188	0.9
57.03443	11.3
61.02921	1.5
65.03932	1.3
67.05521	2.9
69.03422	3.2
69.07054	1.3
71.01341	0.9
71.04646	0.9
71.05003	12.0
71.54359	0.8
73.02927	8.1
75.04487	19.7
79.05480	2.1
81.03426	2.3
81.07064	2.2
83.04992	3.0
85.02914	58.5
85.06544	1.5
87.04461	2.0
91.05482	2.1
93.03410	1.6
93.07034	2.5
95.04961	2.1
95.08598	2.0
97.02905	1.0
97.06517	1.0
99.04471	0.9
99.08141	0.8
105.07030	2.7
107.04974	2.9
107.08566	2.3
109.02856	0.9
109.06507	1.1
109.10146	2.3
110.03608	0.8
111.00798	1.0
111.04440	2.4
115.03980	0.6
115.05523	0.8
117.07027	1.2
119.08597	1.5
121.02868	1.8
121.06487	1.1
121.10107	1.0
123.04396	0.9
123.08064	0.9
123.11720	0.7
124.05204	0.8
127.03928	2.5
129.05507	7.0
129.06996	0.8
131.08521	0.9
133.04973	1.0
133.10139	1.6
135.04388	0.8
135.08029	0.6
135.11673	0.8
136.07617	1.2
137.02354	4.1
137.05994	1.6
137.09669	1.4
139.03964	0.9
145.03879	0.6
145.06476	1.3
145.10127	1.1
147.04350	0.7
147.06538	3.4
147.11655	0.6
149.05954	0.6
153.01842	8.4
153.05501	0.7
159.08087	1.0
161.06010	1.7
163.03894	0.9
164.07199	1.4
165.01884	2.4
166.02708	0.7
166.06291	3.0
167.07048	4.4
172.05249	1.5
173.06024	1.5
173.09618	0.9
175.07603	1.0
181.04977	16.7
181.08594	6.9
183.02872	1.2
187.04060	0.9
187.07501	1.5
187.14854	0.6
189.05397	1.2
189.09085	0.9
191.07042	0.9
191.10716	1.0
195.06453	3.5
200.04753	1.0
201.05441	3.2
202.09901	1.4
203.07091	1.4
204.07848	0.8
205.08603	1.0
206.05775	0.9
213.05460	0.6
216.07756	0.8
218.05737	1.7
219.10117	1.5
221.08058	1.3
229.04959	6.2
233.08131	9.0
233.11761	2.0
235.09735	1.2
246.05215	0.9
247.09729	3.0
252.16670	0.9
257.04364	3.2
263.09149	2.3
269.12881	2.5
273.04080	0.7
274.04691	2.7
277.10712	1.3
281.10028	0.6
285.03857	3.0
287.05518	21.3
287.13977	3.1
302.04245	5.8
303.05020	100.0
304.05380	1.6
305.05499	1.2
317.06595	47.5
367.94077	0.8
370.14008	0.8
382.14297	1.1
401.15872	2.4
413.15976	1.4
431.17059	8.1
449.10852	2.2
449.18088	0.7
449.30563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03445	0.5
61.02648	0.4
61.02937	6.2
63.98232	0.4
68.99826	0.5
69.03432	1.2
69.97966	1.8
73.02929	1.9
79.05511	0.5
81.03420	0.4
81.07062	0.4
85.02918	5.4
91.03974	3.6
97.02913	3.4
105.03501	0.4
111.00788	0.8
115.61498	0.3
117.98295	0.4
121.02901	3.1
127.03929	1.1
133.02754	0.6
133.36060	0.3
137.02353	0.8
145.04988	0.7
145.06512	0.4
147.04425	0.8
153.01830	4.3
165.01851	1.9
166.65768	0.4
171.04497	0.4
183.02988	0.8
189.95148	0.3
191.54530	0.4
197.77950	0.3
213.05533	1.6
231.06526	0.6
241.05028	0.8
258.05301	1.2
259.06128	0.6
287.05533	100.0
288.05905	1.2
449.17227	0.4
470.36365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03933	0.6
55.01866	0.5
57.03424	0.8
61.02934	2.0
68.99797	0.7
69.03083	0.3
69.03433	3.5
71.04994	0.4
73.02915	0.6
74.04676	0.2
79.05486	0.4
81.03429	1.7
81.07040	0.2
85.02915	9.2
87.04470	0.4
91.03948	0.7
91.05438	0.2
93.07028	0.2
97.02901	3.2
99.04449	0.5
105.03400	0.3
105.07043	0.3
107.04982	0.3
109.02887	1.0
111.00795	0.7
119.08589	0.4
120.08946	0.2
121.02879	3.1
127.03917	1.8
133.02864	0.6
137.02338	0.9
141.77892	0.2
145.04976	1.7
145.06506	0.3
147.04420	0.7
151.07578	0.2
153.01849	4.5
157.06537	0.4
161.05974	0.5
165.01846	2.0
167.07065	0.4
177.09122	2.4
183.02921	1.0
185.05978	0.5
193.08670	1.0
203.03490	0.2
203.07047	0.2
213.05484	1.5
221.11719	0.6
231.06642	0.8
241.05013	1.0
258.05231	1.3
258.84427	0.2
259.06042	0.5
269.04590	0.3
279.96576	0.2
287.05521	100.0
288.05841	1.8
303.04938	0.4
331.53787	0.2
467.11032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01874	0.8
55.05517	0.6
57.03446	4.3
61.02932	6.7
67.05517	1.0
68.99806	1.3
69.03442	2.0
71.04998	29.1
72.08154	0.8
73.02929	2.2
75.04479	0.7
81.03439	1.1
81.07072	1.8
85.02911	34.0
87.04479	0.7
91.03958	3.2
91.05492	0.7
93.07040	0.9
95.04977	0.9
95.08614	0.8
95.42140	0.5
97.02890	3.3
105.07066	0.8
107.04976	0.7
107.08592	0.9
109.02918	1.6
109.10189	0.7
111.00816	1.2
111.04488	0.7
115.03941	0.6
121.02879	4.1
123.04464	0.5
127.03946	1.7
129.05481	7.4
135.04483	0.7
136.07574	0.9
137.02345	4.1
137.06030	0.8
137.13271	0.6
145.04977	1.1
145.10139	0.5
147.04437	0.9
147.06593	1.7
153.00688	1.0
153.01826	8.3
157.06516	0.8
157.07658	0.9
163.03952	0.8
164.07112	0.7
165.01852	4.8
183.02908	1.4
185.05945	0.7
201.05458	1.6
213.05515	1.9
229.05054	4.4
231.06593	0.6
241.04933	1.2
247.06010	1.0
257.04498	2.5
258.05222	1.5
272.84143	0.5
285.03915	1.2
287.05524	99.6
288.05829	0.8
290.11404	0.9
299.05554	0.7
303.05014	100.0
304.05374	1.3
329.06708	0.9
336.85031	0.6
345.06104	1.0
353.06381	0.7
369.32849	0.6
406.16995	0.6
413.08411	0.6
414.10165	0.6
449.14401	0.8
449.19867	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	449.1081
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01855	0.4
55.05495	0.4
57.03444	3.2
67.05476	0.5
68.99795	0.7
69.03422	0.8
71.04995	19.6
71.54969	0.5
75.04445	0.9
81.03407	0.5
81.07027	0.4
83.04959	0.5
85.02908	20.9
85.06537	0.7
86.09659	0.3
87.04458	0.8
93.07054	0.6
95.04952	0.4
101.09950	0.3
105.07043	0.4
107.08549	0.6
107.34049	0.3
109.02877	0.4
109.10148	0.4
111.00802	0.9
119.08510	0.4
120.11553	0.3
121.02855	1.3
121.10143	0.5
129.05475	3.6
135.04382	1.3
137.02357	3.2
137.05969	0.4
147.04399	0.5
149.02356	0.4
153.01839	6.3
154.77159	0.3
163.03935	0.5
165.01875	2.0
166.02544	0.5
183.02875	0.8
191.07173	0.3
201.05418	1.1
219.06567	0.3
220.09991	0.4
229.04951	3.9
247.05869	0.5
257.04449	2.8
265.73425	0.3
274.04623	0.8
285.03925	1.0
287.05502	64.4
288.05814	0.7
303.04990	100.0
304.05310	1.4
345.06079	0.4
408.87976	0.3
449.10596	1.6
449.31555	0.5
468.27017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06086	0.7
55.01864	1.1
57.03445	4.4
57.65437	0.7
63.86778	0.8
66.27389	0.8
67.05508	1.1
68.75077	0.8
68.99790	0.9
69.03416	2.5
69.07065	2.8
70.06587	1.6
70.88695	2.0
71.04991	1.4
79.05515	5.1
81.03408	2.0
81.07059	7.3
85.02911	7.2
85.06532	1.8
86.09692	1.9
91.05471	3.2
93.07066	1.5
95.04964	2.1
95.08602	1.6
97.02895	3.1
98.97614	1.5
103.05489	5.4
105.07027	6.1
107.04960	51.7
107.08592	1.1
109.02892	3.1
109.06550	0.9
115.05457	2.1
117.06992	1.4
119.08592	1.0
120.05695	1.3
121.06496	1.3
123.04431	2.9
124.05170	2.2
125.06004	1.5
127.03909	2.8
131.04927	1.9
133.06546	1.3
135.08051	16.3
137.02286	0.9
137.05969	2.5
137.13286	2.9
140.07074	4.6
145.04959	1.6
145.07602	1.7
147.04402	1.3
149.05942	1.3
150.06779	0.9
151.03918	1.5
151.07564	1.2
152.04692	0.9
153.01819	2.1
154.06203	2.6
154.08601	0.8
163.07550	35.7
165.01753	1.8
165.05475	1.0
165.09155	1.4
167.07051	100.0
168.06505	9.0
180.07779	3.4
181.08647	1.8
183.02998	0.9
186.07565	1.6
193.08603	3.4
195.10182	28.4
207.53972	0.9
211.09698	6.9
213.11229	89.5
234.98929	1.0
273.07492	1.7
287.05417	5.7
287.14896	32.4
297.07568	1.2
299.05551	8.8
311.05270	1.3
317.19632	3.7
323.06183	1.1
325.07050	1.4
329.06534	8.7
353.06604	3.3
377.07001	1.0
383.07483	2.4
395.07419	1.9
413.08698	3.0
431.09665	1.8
449.20343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01871	4.3
55.05520	25.3
56.96574	3.2
57.03445	14.0
57.07079	2.6
65.03955	3.2
67.05514	97.0
67.05884	5.1
69.07082	32.8
71.01382	3.3
71.04999	7.7
79.05502	67.4
81.03438	9.8
81.07066	80.4
83.04987	11.9
83.08623	13.1
85.02914	2.4
85.06548	5.6
91.05491	37.1
93.07053	92.2
95.04958	9.9
95.08611	29.5
97.06532	20.5
97.10171	10.3
99.04494	2.9
99.08122	4.5
105.04527	2.9
105.07042	15.2
107.04994	2.7
107.08603	54.6
109.06548	4.5
109.10184	9.0
111.08086	7.0
117.07034	8.8
119.08589	14.2
121.06520	4.6
121.10133	26.7
123.04412	2.7
123.08110	3.0
123.11762	3.1
125.09663	2.9
131.08600	12.5
133.10135	9.8
135.04501	9.5
135.05333	2.1
135.08066	4.7
135.11708	48.3
137.09711	3.4
143.08737	2.1
145.10165	9.5
147.04425	2.7
147.11702	3.4
149.13275	31.7
151.07544	2.6
151.11243	2.5
159.11728	16.0
163.03926	10.7
163.11218	9.4
169.10110	2.3
171.11812	2.3
177.09184	6.6
177.12808	7.6
177.98561	2.7
181.12233	12.9
189.16417	3.0
195.13838	13.4
199.13295	2.8
213.14851	2.2
269.08249	4.6
325.10724	5.2
329.06528	2.2
338.14267	2.5
357.24371	3.0
431.27713	3.7
449.19556	5.6
449.29141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05504	3.4
57.03436	2.1
57.07063	1.1
60.05667	1.1
65.03936	1.0
67.05504	7.0
69.03424	3.0
69.07066	5.2
70.06559	1.1
71.04993	12.7
71.54906	1.8
71.76553	0.8
74.28286	1.0
79.05488	3.5
81.03424	2.3
81.07066	11.1
83.05000	1.2
83.08607	1.8
85.02911	7.6
85.06532	3.5
86.03190	1.2
86.09713	4.4
89.06044	1.1
90.56783	1.0
91.05489	3.9
93.07049	10.1
95.08611	10.1
97.02907	1.4
97.06551	3.7
99.04460	1.7
99.08091	2.1
103.08260	0.9
105.07035	12.4
107.04967	1.3
107.08597	18.1
109.02892	1.6
109.06524	2.6
109.10164	18.7
111.04433	1.5
111.08063	1.7
113.06006	1.3
113.09692	1.2
117.06992	1.2
119.08584	12.2
121.09316	1.9
121.10149	20.4
121.52102	0.9
123.08071	2.2
123.11718	12.2
125.05944	1.1
125.09641	4.2
127.03944	2.3
127.07539	1.0
127.11226	2.1
129.05356	1.1
131.08585	1.4
132.08624	0.9
133.09274	1.0
133.10127	7.2
135.08076	1.4
135.11693	7.1
137.06001	2.7
137.09619	35.6
137.13245	1.7
139.07440	1.2
143.07018	1.6
145.05013	1.1
145.10104	7.8
147.04408	1.4
147.11688	17.0
149.09622	8.1
149.13272	1.2
151.03987	1.0
153.12744	1.8
157.10152	3.0
159.11830	1.2
161.09648	2.8
163.04030	1.0
165.09131	6.8
165.12759	7.6
167.10728	1.5
173.13278	2.0
175.11212	6.2
175.14842	8.1
179.10667	1.7
181.12190	1.3
184.07294	4.8
185.11658	1.3
189.12704	1.3
189.16373	3.1
193.15973	2.6
199.14792	1.2
207.13766	1.0
207.17493	1.9
217.15837	7.3
235.14699	2.2
235.16954	35.2
239.12781	15.9
253.18002	100.0
257.13895	10.2
271.19135	2.3
287.05499	1.2
287.14063	1.6
288.05728	2.8
288.14136	2.3
300.05817	1.6
304.05377	2.4
450.21558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
50.02923	0.3
53.03940	0.5
55.05518	0.4
56.94192	0.4
57.03437	0.8
61.02917	0.3
61.98050	0.3
66.20238	0.3
67.01855	1.2
67.05507	0.7
68.99795	1.0
69.03413	1.6
69.07059	0.6
70.06585	0.9
71.04980	0.5
71.54348	0.5
79.05460	0.8
81.03403	0.8
81.07043	1.1
82.98219	0.3
83.04979	0.6
85.02909	2.5
85.06508	0.4
86.09698	0.6
86.89931	0.4
89.03905	2.0
91.05486	0.8
93.07021	0.7
95.04977	0.6
95.08615	0.7
97.02876	1.2
105.07012	0.5
106.67910	0.3
107.04937	1.1
107.08604	0.8
109.02827	0.4
109.06482	0.5
109.10152	0.6
111.00798	1.5
111.04427	1.2
111.08086	0.4
117.03381	3.4
119.04924	0.4
121.02872	0.6
121.10150	0.8
123.04406	3.0
123.11732	0.4
125.48914	0.3
127.03905	1.3
131.04926	0.5
135.04410	7.5
137.02359	0.6
137.05965	2.9
139.03954	1.7
145.02846	5.8
147.04427	0.8
151.03902	1.1
151.11221	0.4
151.76044	0.3
153.01828	58.5
154.02197	0.3
154.46381	0.3
159.04407	0.6
161.06097	0.8
163.03908	44.6
165.01889	0.8
167.07074	1.2
168.07533	0.4
171.02876	3.0
179.03392	4.1
179.06908	0.5
187.03851	1.8
191.03319	0.6
195.02858	2.4
205.04947	0.7
213.11223	0.6
219.02919	1.0
231.02919	0.4
247.06049	0.6
253.04953	0.4
261.04016	0.5
271.06079	1.7
285.11163	0.4
287.05490	1.8
288.05896	1.5
288.15186	0.5
289.07068	100.0
290.07458	1.4
301.07349	0.6
301.11838	1.4
331.08234	0.4
355.08212	0.6
367.08096	0.4
401.23413	0.4
451.15839	0.7
451.32825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
51.05873	0.3
53.03960	0.7
55.01878	0.4
55.05518	0.4
56.96574	0.7
57.03444	0.9
58.83383	0.4
62.90508	0.4
66.01930	0.4
66.32697	0.4
69.03437	2.8
70.06586	0.5
70.38397	0.5
70.38751	1.1
71.04993	0.6
79.01868	2.6
81.03433	3.4
83.04983	1.1
85.02917	4.9
88.25375	0.3
91.05563	0.4
97.02911	2.7
98.97590	1.3
99.04470	0.5
101.06043	2.0
107.01344	1.7
107.59927	0.4
109.02889	3.7
116.07109	0.5
116.98666	0.8
119.04951	0.4
125.02365	2.6
127.02988	0.5
127.03939	10.1
136.07616	1.9
137.02437	0.5
143.03395	3.7
145.04985	0.9
147.04411	0.5
151.07617	1.9
152.07921	1.9
153.01855	100.0
153.02878	4.6
154.02173	0.6
158.99748	0.5
171.02917	11.6
177.00656	0.6
219.01775	0.5
219.08017	0.4
237.02771	0.6
251.10196	0.5
279.05130	0.7
297.06088	4.3
303.01419	0.9
314.13223	1.3
315.07153	15.7
451.11136	1.1
451.17773	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	451.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01873	5.3
57.03442	9.9
60.93610	0.9
61.02937	6.0
64.97301	1.0
67.05514	3.2
69.03433	14.7
69.77943	5.0
71.01359	1.8
71.32153	0.9
72.04504	2.1
73.02927	14.6
79.05509	1.9
81.03423	5.1
81.07060	4.7
84.08132	1.0
85.02912	87.2
87.04488	1.8
91.03992	1.5
95.04973	2.8
97.02895	32.4
99.04456	3.1
103.03948	5.8
108.08131	8.8
109.02891	12.2
109.06513	1.1
115.03927	4.8
122.06042	5.9
123.04336	1.1
125.06004	4.9
126.05571	4.8
126.09163	4.4
127.03925	24.3
130.12305	1.6
132.06561	2.9
133.04956	4.3
136.07578	13.5
137.05992	2.4
140.07079	70.2
145.04976	37.1
150.07622	3.7
150.09137	4.3
151.81041	1.0
152.07083	12.9
153.01819	2.0
154.08678	5.0
163.06039	24.1
164.07083	18.7
178.08646	18.0
182.08144	100.0
193.92085	1.0
206.08134	48.9
208.51584	1.0
218.08154	4.2
236.09203	5.4
240.46497	1.1
242.44090	0.9
248.09247	11.4
263.27927	1.1
266.10345	5.5
284.11392	11.1
289.12030	2.4
289.21130	1.1
302.12378	25.5
451.16248	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	451.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01874	3.1
55.05523	1.0
55.53397	1.1
57.03429	1.8
63.68224	1.0
65.03922	2.1
67.05496	1.6
69.03425	3.8
69.61033	6.8
70.06596	5.0
78.04691	1.5
79.05503	5.8
79.39194	1.2
81.03426	2.1
81.07043	2.6
85.02909	4.3
86.04421	1.1
91.05484	10.4
93.07078	6.2
94.04170	1.2
95.04986	9.4
95.08624	1.6
96.26858	1.1
97.02860	1.7
97.10255	1.2
98.20819	2.1
98.97592	1.2
99.04430	2.2
103.05465	3.5
105.07066	5.8
106.04156	1.4
107.04971	14.2
107.08614	2.9
109.02870	1.6
109.06563	2.7
109.10178	1.2
111.04424	1.2
112.82563	1.2
117.07035	2.4
119.04932	2.8
119.08578	4.0
120.08112	2.7
121.06514	10.6
122.03675	2.0
123.04447	20.1
124.05206	3.1
128.06238	1.8
129.07010	13.0
131.04921	2.7
131.08580	3.9
133.02826	1.7
133.06499	4.0
135.04405	2.2
135.08049	1.6
136.07639	3.5
137.05994	20.3
137.09665	1.3
139.03926	1.4
140.04689	15.1
145.06499	2.2
147.04430	50.9
147.08061	12.6
148.07549	1.5
149.05983	11.5
151.03893	2.8
151.07552	4.2
152.04710	2.4
153.01782	1.1
153.05466	9.8
154.06303	1.4
155.07042	19.5
157.06502	10.3
159.08009	2.1
160.05299	2.0
161.05980	12.7
161.07167	3.8
161.09608	1.1
163.07538	6.6
164.07098	2.7
165.05511	2.0
165.06976	2.3
166.06271	3.3
167.07068	78.1
167.08551	2.7
169.06453	1.6
175.07565	53.6
177.05455	1.8
179.07021	4.9
179.08470	1.4
180.07808	6.2
181.06758	2.0
181.08617	40.8
181.10217	2.5
183.08107	2.1
183.27979	1.3
187.07585	2.8
189.09152	2.0
191.07034	2.0
191.08606	1.4
193.06760	1.9
193.08641	18.1
194.07283	1.4
195.08101	6.3
197.09653	2.4
198.06752	1.8
205.06731	1.9
205.08598	9.4
208.08916	1.7
209.06056	2.8
210.06699	1.7
211.07480	3.0
219.08080	2.0
219.10161	1.4
221.06007	1.7
223.07581	5.5
223.11188	1.8
225.05481	1.4
225.09138	2.8
226.06244	2.7
227.07060	1.8
228.12772	1.2
229.10738	4.1
229.15358	1.5
235.07399	1.6
236.08295	1.2
237.09232	2.5
239.07048	4.4
240.07945	1.9
241.08534	5.6
243.10220	3.2
243.14967	1.5
251.07018	2.3
251.10796	2.8
253.08623	1.9
255.06430	2.0
256.07480	1.5
265.08472	2.0
267.10077	1.3
268.07419	1.4
269.08072	5.1
269.11676	2.5
271.09659	6.9
271.14429	3.3
279.10175	3.3
281.08231	2.0
283.09729	3.4
283.13321	1.5
285.11255	3.4
288.09991	3.8
289.12372	2.3
289.15472	9.0
295.09824	2.0
297.11224	4.5
301.10712	12.9
303.12360	5.8
309.11328	1.5
311.12698	2.7
313.10870	2.8
314.11328	1.6
315.12115	2.0
317.13821	3.2
329.13855	28.6
332.12732	1.4
341.14056	1.5
345.13327	6.4
346.14160	9.4
347.14923	100.0
348.15054	1.9
359.14951	2.4
363.59503	1.4
403.17542	1.3
421.18616	18.1
433.16760	1.5
451.15860	4.1
451.20447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
55.01867	0.4
55.05507	0.4
57.03440	0.4
60.53121	0.3
61.02917	0.5
65.03941	0.3
65.04242	0.3
67.05502	0.7
68.66398	0.2
69.03443	1.3
69.07072	0.5
70.07595	0.6
70.07979	0.6
79.05483	0.8
80.87952	0.3
81.03423	0.9
81.07061	0.9
84.04491	0.3
85.02919	2.3
85.06563	0.3
86.01784	0.2
91.05489	2.0
93.07057	1.0
94.06564	0.8
95.08611	0.4
96.08144	1.0
97.02901	1.1
99.04485	0.3
105.07023	0.5
106.06581	1.7
107.08607	0.5
108.08121	0.5
109.02864	0.5
109.06552	0.3
109.10195	0.6
110.07079	0.3
116.05018	0.3
118.06557	2.3
119.04939	0.4
119.07326	0.9
119.08591	0.4
120.08122	11.6
122.03627	0.3
122.09663	0.5
123.04458	0.9
124.07609	7.2
126.09191	0.8
127.03947	0.7
129.07051	0.3
130.13324	0.2
133.10147	0.4
134.06032	4.8
135.11758	0.5
136.07594	2.5
137.06010	2.0
138.05504	0.9
138.09155	0.7
145.04959	0.7
145.10057	0.4
146.06017	3.7
147.04420	0.3
147.06824	2.3
148.07590	10.5
150.09158	1.0
151.03897	0.5
151.07646	0.3
152.07062	0.5
153.01843	0.9
161.05968	0.4
161.09650	0.3
163.03931	1.0
164.07089	54.8
165.07770	0.5
166.08722	2.2
172.11128	0.3
175.03864	0.3
200.10779	0.6
212.06834	0.3
214.10977	0.9
215.15468	1.4
216.10225	1.2
217.10561	0.3
228.10184	0.5
229.13344	1.1
232.09883	0.3
243.14951	6.0
245.16508	2.7
248.54494	0.3
253.08865	0.3
253.13412	1.1
254.11743	0.9
271.14456	23.7
272.14795	0.4
289.15497	100.0
290.15823	1.2
299.08960	0.4
304.05447	0.4
305.05682	0.7
330.27557	0.3
433.17630	0.4
451.20654	4.1
451.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.27327	2.4
55.05496	5.0
57.07069	5.2
67.05489	9.3
67.53533	2.7
69.07053	12.3
71.04983	9.9
71.08598	2.7
75.35145	2.2
79.05473	10.8
81.07056	37.4
82.63140	2.4
83.08598	4.8
89.06037	3.2
91.05482	7.1
93.07037	15.2
95.08600	30.8
97.10177	3.6
98.21503	9.3
105.07037	33.1
107.08594	24.4
109.10131	11.9
117.06989	5.8
118.21971	2.8
119.08591	40.0
121.10146	15.4
123.11716	6.5
123.98824	2.4
129.07014	4.8
131.08600	21.4
133.10135	16.1
135.11674	6.1
137.56308	3.0
142.07756	3.2
143.08546	8.6
145.10123	25.7
147.11682	8.6
149.13242	10.0
155.08554	6.7
157.10130	19.6
157.28224	3.3
159.11696	10.3
161.13246	15.8
163.14786	9.0
169.10101	8.9
171.11702	10.9
173.13242	12.2
175.14836	45.9
177.16376	10.6
181.10110	4.3
183.11674	6.5
185.13217	4.6
187.14769	9.7
189.16415	4.9
197.13258	7.0
199.14815	10.9
201.16394	11.2
203.17950	4.1
209.13246	6.2
211.14880	7.4
213.16408	12.6
215.18005	7.2
223.14833	7.1
225.16431	5.2
227.17996	4.8
239.17990	5.7
243.17528	3.2
259.16946	4.3
265.19464	3.2
271.17014	2.8
277.19699	2.8
291.21143	3.0
293.22549	19.1
315.51151	2.7
317.22821	3.7
327.23431	2.5
331.24002	3.3
339.19037	3.7
339.23193	60.1
387.30249	17.0
389.31891	10.5
405.31561	25.7
407.33325	18.9
433.31030	43.2
451.31989	100.0
453.57550	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3213
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
54.85022	1.5
55.05507	5.8
57.07074	1.8
58.30781	1.6
67.05526	9.2
69.03434	3.5
69.07071	6.4
71.53598	2.0
79.05505	8.0
81.07073	19.0
82.18653	1.4
83.04976	2.8
83.08617	3.5
91.05495	8.6
93.07053	16.5
95.04980	2.2
95.08622	19.6
97.10204	2.9
98.03485	1.6
103.82993	1.5
105.07047	21.0
107.08603	19.2
109.06512	2.8
109.10169	13.0
111.08112	2.2
111.17893	1.7
117.07064	5.3
119.08600	35.1
121.10165	14.2
121.68535	1.7
123.11710	7.4
125.09684	3.0
128.20253	1.7
129.07039	3.3
131.08595	12.9
132.40329	1.6
133.10150	20.1
135.08086	4.5
135.11728	7.6
137.09637	3.6
137.65846	2.1
143.08598	9.4
144.09395	1.8
145.10158	16.6
147.11693	12.2
149.09691	4.0
149.13303	5.7
151.11113	1.7
155.08615	2.7
156.09380	2.6
157.10126	10.2
159.11748	14.9
161.09605	1.8
161.13336	10.5
163.11198	2.0
163.14851	7.8
165.12770	1.8
169.10207	6.4
171.11720	7.4
173.13261	11.7
173.37785	1.5
175.11253	2.3
175.14856	14.2
177.12866	3.1
177.16449	6.4
181.10243	1.5
183.11758	5.4
184.07465	1.7
185.09669	1.6
185.13278	5.2
187.14803	14.1
189.12808	2.4
189.16423	10.4
191.14371	4.5
195.11798	3.2
197.13370	4.8
199.14839	8.4
201.16400	11.6
203.14386	2.8
203.18069	4.6
205.15904	3.7
209.13315	3.2
211.14883	2.7
213.16467	5.2
215.14420	4.6
215.18028	4.3
217.15968	7.2
225.16426	3.0
227.17992	4.4
229.15919	6.0
229.19633	2.6
231.17502	2.6
233.15388	4.4
237.16415	2.8
239.17996	6.0
241.19637	4.3
243.17587	3.8
247.16907	1.9
251.18080	3.3
253.19598	4.3
255.20944	2.4
263.17880	2.1
265.19586	2.0
267.21164	2.6
269.18848	2.2
273.18750	1.7
293.22672	2.0
307.24240	3.7
309.22205	2.0
339.23392	9.1
353.24759	3.4
377.32269	2.4
387.30563	5.0
405.31570	49.7
407.29388	1.9
420.18402	1.6
423.32095	2.0
433.31155	10.7
451.32227	100.0
452.32361	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	451.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.05509	3.1
57.07073	3.7
61.29721	0.9
64.13393	1.0
67.05517	7.3
69.07072	14.7
69.82933	0.9
71.54865	1.7
79.05500	7.6
81.07058	35.9
83.08622	3.5
89.06034	2.4
90.20597	1.2
91.05472	9.4
93.07048	26.7
95.08612	31.9
97.10188	2.6
98.76777	1.1
101.73798	1.1
105.07036	17.0
107.08606	34.7
107.49799	1.0
109.10154	12.9
111.55881	1.1
117.07047	2.6
119.08586	21.9
121.10150	22.0
123.11729	7.4
129.06987	1.7
131.08598	6.7
133.10144	22.1
135.11696	20.5
137.13260	10.4
143.08575	6.6
145.10124	11.2
147.11682	14.3
149.13269	38.3
157.10175	7.1
159.11714	13.4
161.13289	10.8
163.14830	55.6
169.10143	1.8
171.11716	7.5
173.13271	10.3
175.14828	9.0
177.16362	10.8
183.11792	1.9
185.13254	5.2
187.14810	9.8
189.16383	12.0
191.17921	2.2
197.13184	1.2
199.14847	7.3
201.16431	8.4
203.17984	12.8
203.87277	1.0
211.14806	1.8
213.16357	6.9
215.17953	15.8
217.19478	2.1
225.16434	1.9
227.17931	10.0
228.18782	2.8
229.19469	9.7
239.17940	2.2
241.19513	12.8
242.20200	1.6
243.21094	4.9
253.19572	4.2
255.21133	25.6
257.22681	1.9
267.21036	5.2
269.22598	12.0
281.22623	2.4
295.24280	2.8
301.21671	6.1
327.19302	0.9
327.23196	26.3
327.27167	1.4
391.33588	16.4
451.35818	100.0
452.36096	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	452.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
57.03439	32.6
59.05003	7.0
61.02916	5.5
69.03432	92.6
70.06564	4.5
70.17611	3.2
71.54089	3.5
73.02888	7.8
76.34726	2.8
80.16449	3.7
81.03411	11.1
85.02908	75.8
87.04472	64.5
88.03992	5.2
91.05489	4.1
97.02896	77.2
98.97575	11.2
99.04472	3.4
109.02879	49.0
110.15424	3.2
115.03165	6.0
115.03941	85.4
116.01680	3.7
116.07071	5.6
116.98671	4.2
119.04904	5.8
123.04441	4.3
125.02324	4.7
127.03899	24.3
131.04895	3.3
133.02846	20.1
133.04967	100.0
136.07579	11.0
137.05937	7.7
137.07932	7.7
139.03882	6.2
141.05490	37.6
141.98538	3.3
145.04948	14.1
147.04384	4.8
150.07628	14.9
153.01846	38.3
154.02161	20.0
157.03308	4.4
159.04417	3.9
161.05995	4.5
163.17703	2.9
165.05464	37.9
167.07068	4.0
171.02899	3.8
172.97290	4.0
177.05490	10.3
182.99399	2.9
183.06516	5.2
190.04797	3.2
201.02150	7.8
207.06535	9.4
218.57603	3.5
219.01811	4.2
219.06425	16.6
227.07062	4.4
237.07651	21.7
238.13931	3.6
267.08627	7.7
290.06952	3.5
290.10278	8.3
303.01376	8.3
316.07294	3.4
346.56219	3.3
472.56342	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	453.1393
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	1.6
55.01866	1.5
55.05510	1.1
56.96547	1.0
57.03430	2.0
61.02927	3.3
65.03926	1.6
67.05499	1.3
68.99789	1.2
69.03082	0.6
69.03434	7.9
69.28090	0.5
70.64944	1.5
71.04987	0.9
73.02905	1.2
77.03926	0.6
78.10340	0.5
81.03423	3.5
81.07054	0.7
83.04989	1.4
84.08134	1.2
85.02907	22.6
87.04493	1.5
91.03963	0.7
91.05483	1.6
93.03403	1.5
95.04958	1.6
97.02894	6.6
98.97577	1.2
99.04458	1.6
105.07034	0.7
105.37670	0.5
107.04967	1.3
109.02895	2.8
110.61124	0.5
111.00829	0.8
111.04439	2.2
116.01684	1.0
119.04948	2.6
121.10167	0.5
123.04436	53.8
127.03928	5.9
132.08424	0.6
135.04433	1.8
137.05972	2.3
139.03908	100.0
143.04889	0.6
145.04971	2.5
147.04405	12.8
147.05518	0.8
151.03906	4.5
153.05486	1.9
160.04274	1.4
161.04749	0.6
161.05984	2.1
162.09155	0.8
163.03911	4.0
165.05482	15.4
177.05510	1.0
179.07068	1.0
180.10176	0.9
181.04901	0.7
181.58638	0.5
182.08128	0.6
182.55998	0.5
189.05508	1.5
205.05020	1.0
207.06683	2.6
208.09738	1.3
225.03342	0.7
228.08757	1.2
237.00633	0.9
239.07196	0.6
246.09909	0.8
250.03864	0.6
257.04248	0.6
273.07608	4.5
273.12350	2.0
291.08624	15.8
291.13477	2.2
299.61111	0.6
303.01331	1.0
435.17642	1.1
453.14017	1.3
453.18890	3.5
454.14697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27555	0.6
53.03947	1.9
55.01871	1.9
56.96556	1.2
57.03437	1.6
61.02921	2.6
65.03929	1.0
67.05511	1.6
68.44862	0.6
68.99782	2.0
69.03440	9.2
69.07035	0.7
69.86272	3.6
71.01379	0.8
71.05005	1.0
73.02914	1.1
79.05486	0.8
81.03426	3.3
81.09018	0.7
83.04996	1.1
83.48474	0.6
84.08149	1.6
85.02913	22.0
85.05276	0.9
85.06544	1.1
87.04460	1.0
88.00603	0.7
89.46720	0.6
91.03972	1.1
91.05482	2.2
93.03406	1.1
95.04982	2.0
97.02905	6.9
98.97559	1.4
99.02668	0.7
99.04483	2.1
105.03432	0.7
107.04945	1.1
109.02876	4.0
111.04462	2.2
116.01704	3.7
117.02013	0.6
119.04919	3.3
120.42724	0.6
121.02872	1.1
122.06028	1.0
123.04441	52.0
124.04757	0.8
126.26169	0.6
127.03925	7.1
128.04300	0.8
132.08418	1.2
133.06531	0.8
135.04393	3.1
135.11823	0.6
136.07584	1.3
137.05977	5.6
138.09113	1.1
139.03912	100.0
140.04269	0.6
145.04951	3.4
147.04428	14.4
151.03931	3.3
151.11209	0.7
152.07126	0.8
152.11580	0.7
153.01826	1.8
153.05495	2.6
160.04333	3.3
161.04562	2.1
161.06010	2.3
163.03886	3.1
164.07013	1.0
165.04163	1.0
165.05496	16.9
169.04924	1.0
180.10452	0.7
189.05557	3.1
205.05104	0.9
207.06725	3.8
208.09807	1.2
219.01817	0.9
228.08577	1.2
237.00670	0.8
246.09703	0.7
247.06041	1.2
247.18814	0.6
256.09784	0.7
273.07568	4.2
273.12494	2.4
291.08688	14.9
291.13315	3.9
301.03653	0.8
303.01392	0.7
305.74478	0.6
390.99973	0.7
435.17505	1.3
453.08859	1.2
453.14890	0.9
453.18872	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	453.3369
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.02391	1.3
55.05514	12.0
57.03437	1.2
57.07075	3.5
65.03933	1.5
67.05511	22.2
69.03426	2.5
69.07069	17.0
71.04997	3.5
71.46400	1.1
71.53386	2.2
77.32337	1.1
79.05491	13.3
81.03424	6.4
81.07060	46.3
83.04987	2.6
83.08636	10.2
85.02902	4.1
85.06555	3.4
87.60563	1.1
91.05486	16.1
93.07054	29.4
95.04981	5.3
95.08610	37.9
97.02943	1.5
97.06544	4.7
97.10184	5.1
99.08089	1.4
105.07040	38.1
107.08598	41.5
109.06519	2.9
109.10167	22.8
111.04519	1.3
111.08097	3.3
113.06027	1.1
117.07046	5.3
119.08587	72.0
120.28836	1.1
121.06573	1.8
121.10155	33.1
121.11034	1.6
123.08072	4.0
123.11715	11.0
125.09642	1.5
128.06219	2.5
129.07056	5.3
131.08575	17.8
131.09387	1.5
133.10136	42.3
135.08067	2.8
135.11700	19.4
137.09624	2.5
137.13246	3.0
139.11172	1.8
140.23402	1.2
142.07823	1.6
143.08556	10.3
144.09338	2.7
145.10130	33.1
146.56673	1.1
147.08054	1.7
147.11682	24.1
149.09550	3.1
149.13286	8.7
151.07558	1.5
151.11195	1.7
151.14827	1.7
153.08986	1.3
155.08603	3.5
156.09346	2.8
157.10133	20.0
157.11305	1.6
158.10913	3.9
159.08116	1.2
159.11713	31.5
161.09583	2.5
161.13268	19.9
163.07574	1.3
163.11211	2.0
163.14847	14.6
165.12894	1.6
169.10065	5.7
170.10999	1.5
171.11694	13.9
171.12961	1.4
172.12494	1.6
173.09686	1.4
173.13283	17.3
175.11263	3.6
175.14839	46.2
177.12787	3.5
177.16377	12.8
179.14343	5.8
181.10156	1.8
182.11043	1.1
183.11626	6.1
184.12599	2.0
185.13271	8.8
186.14111	1.5
187.13295	2.1
187.14841	38.8
189.12886	2.1
189.16389	42.1
191.14450	1.4
191.18008	3.3
193.12248	5.7
193.15942	4.9
195.11742	2.9
197.13315	4.9
199.14845	20.5
199.16576	1.6
201.12573	1.4
201.16396	42.2
202.17216	1.5
203.14417	1.6
203.17970	8.7
205.15987	4.1
207.17511	5.3
209.13289	3.3
210.14090	1.4
211.13075	6.1
211.14937	3.3
213.16406	19.0
215.17981	14.5
217.12286	1.2
217.15915	6.6
217.19484	1.5
219.17438	6.6
221.13503	1.9
221.15472	5.0
223.14795	2.3
225.16545	5.3
227.17963	8.6
229.19638	2.8
231.17468	9.8
233.15442	2.2
233.19032	14.3
235.16963	2.0
237.16502	1.7
239.18134	3.1
241.19586	5.1
245.15474	4.7
245.19092	4.6
247.17097	6.3
249.16396	1.5
251.18042	3.6
253.19675	5.3
255.21065	2.1
259.17065	3.3
265.19635	1.5
267.21234	1.5
273.18619	1.4
279.21082	1.7
281.22705	3.0
293.22894	2.1
299.20355	3.4
321.25754	2.9
325.55682	1.3
327.23291	3.0
365.24872	2.7
367.26559	2.6
379.26208	1.4
389.32013	16.6
407.33154	29.3
408.33804	1.7
435.32672	72.5
453.28784	9.1
453.33844	100.0
454.33997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.44321	1.1
55.05514	15.8
57.03456	2.7
57.07069	3.8
65.03941	1.8
65.94199	1.1
67.05508	22.3
67.60258	1.2
69.07070	26.8
69.61904	4.8
71.05017	2.1
71.08617	1.7
78.08705	1.0
79.05496	19.9
81.03429	2.4
81.07059	45.1
81.07526	2.4
83.04945	1.7
83.08622	15.4
85.02898	1.9
85.06545	1.5
86.96207	1.4
89.63135	1.0
90.47567	1.1
91.05479	22.2
93.07054	41.8
95.04988	2.8
95.08613	64.3
97.06562	2.1
97.10182	4.2
105.07034	55.2
107.08601	89.8
109.06537	2.4
109.10157	28.2
111.08106	4.2
115.05502	2.3
115.84795	1.2
117.07037	9.4
119.08588	91.2
121.06542	1.7
121.10150	66.1
123.08121	1.9
123.11703	17.7
125.06009	1.5
125.09647	2.4
126.46482	1.0
127.63137	1.1
128.06213	2.2
129.07018	6.6
130.07849	2.1
131.08578	25.0
133.10135	56.8
135.08092	2.5
135.11697	28.6
137.09654	2.6
137.13297	4.2
139.11179	2.2
141.07079	2.2
142.07822	3.8
143.08572	16.3
144.09363	2.8
145.10129	46.1
147.11694	33.9
149.06100	1.2
149.09648	2.5
149.13257	27.4
151.11217	1.6
151.14835	1.5
153.09142	2.5
155.08626	3.5
155.61859	1.1
156.09369	4.1
157.10143	29.6
158.10934	3.0
159.08072	2.4
159.11710	33.8
160.12552	1.5
161.09683	2.8
161.13263	31.9
163.07593	1.7
163.14825	20.7
163.16106	1.7
165.12794	2.7
167.08540	1.2
169.10153	8.7
170.10918	2.8
171.11690	28.3
173.09721	1.4
173.13274	34.9
175.07616	1.4
175.14832	90.2
176.15337	1.5
177.09135	2.6
177.12871	2.1
177.16399	52.6
179.14360	6.3
181.10124	2.5
182.10983	1.7
183.11690	8.1
184.12492	2.3
185.13246	16.0
185.14600	1.5
186.14058	1.4
187.11354	1.5
187.14818	31.3
189.09160	2.0
189.12842	4.8
189.16397	43.9
191.10754	2.9
191.14334	3.2
191.18015	4.0
193.12318	4.3
193.15916	6.3
195.11749	2.3
196.12506	1.5
197.13304	7.3
198.14021	1.8
199.14827	21.8
201.16383	45.9
203.14369	2.4
203.17949	11.7
205.12314	1.5
205.16014	3.7
207.13808	1.6
207.17535	3.1
209.13300	2.9
210.14044	1.3
211.13295	3.4
211.14995	5.6
213.16385	42.2
213.18304	2.6
215.17970	26.8
215.19893	2.0
217.12321	2.6
217.15784	5.7
217.19576	3.6
219.13910	2.2
219.17474	6.4
221.15341	6.9
223.14897	3.7
225.16325	6.9
227.17967	28.7
229.19514	15.0
231.17421	13.3
231.21135	2.3
233.15627	1.6
233.19016	5.4
237.16278	2.0
239.17995	9.7
241.19501	13.3
243.17581	1.8
243.21130	2.0
245.15482	5.1
245.19128	3.3
245.67833	1.4
247.16945	7.7
251.18085	2.8
253.19579	11.7
255.21210	4.7
257.15479	2.0
257.19016	1.5
259.16971	33.6
261.18631	3.9
265.19644	3.2
267.21097	7.6
269.22543	1.9
271.17130	2.7
273.18515	21.1
275.20212	4.1
277.19589	2.7
279.21103	3.3
281.22729	3.5
285.18582	4.1
287.20135	4.2
293.22684	2.7
295.24307	1.3
299.20126	9.2
301.21753	3.8
311.23563	1.5
313.21704	4.0
319.24307	3.4
325.21704	1.8
327.23279	2.4
341.24802	2.5
347.27304	2.5
351.26981	2.5
353.24866	1.6
365.24768	2.7
379.26416	2.7
381.27969	1.5
389.32053	22.9
391.33508	1.4
407.27859	2.2
407.33136	41.5
407.38358	2.1
408.33563	1.5
409.34949	2.3
411.29095	2.4
435.32663	100.0
436.33215	2.7
453.16858	13.5
453.29068	4.6
453.33850	74.9
454.34433	2.0
463.62231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03951	1.0
55.05516	5.2
57.07069	2.1
64.57431	0.9
67.05513	6.9
69.07074	8.5
70.70385	2.8
71.04989	1.0
79.05488	5.0
81.07057	16.0
83.08641	2.7
91.05466	5.1
93.07044	12.3
95.08607	18.9
97.10156	2.4
105.07030	16.1
107.08594	17.3
109.06521	2.0
109.10159	13.7
111.08038	1.2
117.07013	2.0
119.08575	20.7
121.06516	1.5
121.10115	13.9
123.08051	1.8
123.11730	6.6
129.07013	2.8
131.08577	8.1
133.10143	15.8
135.08052	2.1
135.11667	8.1
137.13245	2.8
143.08572	5.1
145.10103	11.1
147.08054	2.2
147.11674	7.7
149.09642	1.5
149.13268	6.4
155.08665	1.2
157.10109	7.8
159.08020	1.2
159.11688	8.6
161.09630	3.9
161.13254	6.5
163.11217	2.5
163.14801	4.8
165.16440	1.2
169.10110	2.1
171.11650	5.3
173.13263	7.5
175.14827	21.3
177.16405	4.4
179.14296	0.9
181.10168	1.5
183.11723	2.2
185.09569	1.3
185.13306	2.1
187.14864	7.5
189.16385	12.1
191.17892	5.9
197.13319	2.0
199.14813	6.2
201.12755	1.3
201.16374	6.6
203.14372	1.7
203.17926	2.2
207.11606	1.4
207.17426	1.4
209.13181	1.3
211.14851	2.7
213.16403	5.1
215.14423	1.6
215.17953	11.4
217.12372	1.4
217.15915	14.8
217.19469	1.2
219.17383	5.7
221.15422	2.2
223.14857	1.7
225.16443	2.0
227.18024	3.8
229.19496	2.2
231.17415	2.1
233.18993	2.4
235.16779	1.0
237.16449	1.8
239.18149	1.5
241.19466	2.7
243.17488	1.6
249.14850	1.2
251.18007	1.1
253.19635	3.1
255.17493	2.2
255.21056	1.4
259.17072	1.5
265.19574	1.5
267.21094	2.1
271.20322	0.9
275.20184	1.4
277.13928	1.4
278.35541	0.9
285.18494	1.0
287.20132	1.1
293.22769	1.6
301.18121	1.7
307.24054	1.3
313.21588	2.3
319.24402	1.0
321.25739	1.1
325.21356	1.1
351.23260	1.3
364.32468	1.1
389.32031	8.1
407.33151	20.7
417.31503	1.2
435.27518	1.9
435.32724	20.0
453.33716	100.0
454.33887	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	453.3366
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
55.05503	6.2
57.07063	1.3
61.67205	1.3
67.05508	10.5
69.07075	10.5
70.93617	2.7
79.05490	7.5
81.07061	17.0
82.80078	1.0
83.08630	5.1
88.60748	1.1
91.05484	11.5
93.07053	18.9
95.04978	1.7
95.08609	24.3
96.05013	1.2
97.06507	1.4
97.10187	3.0
97.78397	1.0
105.07033	25.8
107.08604	28.4
109.06519	1.7
109.10153	18.6
111.08098	1.6
117.07019	4.8
119.08583	30.5
121.10146	24.0
123.08056	1.8
123.11716	5.9
129.07004	3.4
131.08566	10.8
133.10149	14.2
135.11687	11.4
137.13283	2.7
139.11191	1.5
143.08604	7.5
144.09308	1.3
145.10127	15.6
147.11681	21.5
149.13261	7.7
153.87689	1.2
155.08603	3.0
156.09355	2.4
157.10129	11.1
159.11714	15.8
161.13260	19.9
163.14853	10.1
165.12735	2.6
169.10098	5.3
171.11717	11.4
172.12515	1.4
173.13280	10.9
175.14810	17.7
177.16455	4.8
179.14355	2.2
181.10141	1.8
183.11703	6.5
185.13239	8.2
186.91977	1.4
187.14838	17.3
189.12746	1.1
189.16380	9.2
193.15877	1.2
195.11636	1.4
197.13284	4.9
199.14790	7.3
201.16389	9.9
203.17955	4.2
205.15875	1.7
207.11993	1.4
209.13332	1.7
211.14841	4.5
213.16312	8.1
215.17892	7.0
217.15982	2.9
221.13327	1.1
223.14813	2.8
225.16429	3.5
226.33826	1.3
227.17978	10.3
229.19489	12.9
231.17430	2.8
233.15372	2.7
237.16481	2.5
238.17262	1.1
239.18039	3.6
241.19525	10.6
243.21234	1.4
245.19226	1.2
251.18051	1.9
253.19495	8.5
255.21082	9.2
257.15820	1.1
259.16977	1.7
261.18564	1.6
265.19568	2.2
267.21100	10.1
269.22906	1.5
271.20728	1.2
273.18591	3.6
275.20013	7.3
279.21170	3.3
281.19189	1.2
281.22668	3.4
283.24359	1.8
285.18652	2.3
287.20099	3.3
291.21265	1.6
293.22546	2.5
295.24078	1.3
296.34634	1.2
299.20120	5.5
301.21490	6.2
305.22873	1.4
311.23636	1.6
313.21643	8.3
315.23166	1.5
319.24219	2.9
325.21414	1.4
327.23468	1.9
333.25797	1.7
339.23212	1.5
361.29010	4.1
365.28787	1.6
379.26343	1.9
389.32089	20.1
407.33121	41.6
421.37375	1.4
435.26697	2.5
435.32642	49.2
453.33722	100.0
454.33902	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	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05516	6.5
57.07073	1.8
62.61927	1.3
67.05510	9.6
69.07087	8.6
79.05524	7.3
81.07066	18.0
83.04953	1.4
83.08630	4.4
90.21683	1.5
91.05495	8.2
93.07050	18.2
95.08614	22.1
97.06625	1.3
97.10190	1.6
97.11338	1.2
98.21544	3.3
105.07042	27.8
107.08607	25.1
109.06548	1.3
109.10168	15.7
111.08091	2.7
117.07037	2.9
119.08602	34.6
120.60571	1.3
121.06506	9.7
121.10150	16.4
123.08070	3.6
123.11715	9.6
125.06043	2.9
129.07011	1.7
131.08595	8.8
131.09410	1.2
133.10153	18.3
135.07996	1.6
135.11705	13.0
139.07533	3.3
141.07033	1.7
143.08589	6.2
145.10149	13.1
147.11696	10.9
149.13287	10.6
151.54004	1.4
156.09380	1.6
157.10178	6.8
158.10922	3.2
159.11723	11.7
161.09639	2.7
161.13313	7.4
163.14755	6.4
169.10135	2.1
171.11696	4.0
173.13240	9.3
175.14857	26.3
175.16296	2.1
177.16338	8.5
183.11815	2.9
185.13257	4.7
187.14850	9.3
189.12759	2.0
189.16403	22.2
191.17987	4.9
195.11732	2.4
197.13327	3.8
199.14815	6.9
201.16411	14.5
203.17989	3.1
205.15883	1.6
207.17496	2.7
209.13318	1.9
211.14914	2.9
213.16385	9.5
215.14345	2.7
215.18004	6.0
217.15939	3.0
219.17450	26.6
221.15427	3.2
223.14677	2.2
227.18030	3.5
229.19652	2.0
231.17445	2.7
233.15356	11.4
233.19089	2.1
235.16872	8.2
239.18166	2.6
241.19550	3.7
245.15460	2.8
247.16917	3.4
249.14882	3.3
253.19699	3.2
265.19440	1.7
267.21222	2.0
271.16879	1.7
275.20065	2.2
283.24521	1.8
287.20093	1.4
299.20255	2.7
306.02679	1.5
313.21646	4.5
327.23236	1.9
340.56091	1.3
347.27332	1.8
352.66776	1.5
379.14328	1.6
389.31985	11.2
392.27606	1.6
407.33136	19.1
416.53265	1.8
425.34283	3.8
435.32642	48.1
436.32910	1.8
453.33731	100.0
454.33774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3367
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
55.05514	4.7
57.03441	1.4
57.07074	2.9
57.19222	1.0
61.02911	1.0
65.03940	1.3
67.05508	10.0
69.07075	11.6
71.23346	1.6
79.05505	5.7
81.03463	1.4
81.07063	23.7
81.57346	1.1
83.08624	4.4
91.05472	8.3
93.02276	1.1
93.07050	15.9
95.04958	2.5
95.08614	34.8
97.10190	2.1
105.07040	14.4
107.08601	26.4
109.06527	2.4
109.10159	15.5
117.07014	2.3
119.08579	18.1
121.06509	5.2
121.10152	15.8
123.08091	4.7
123.11723	9.0
125.09585	1.4
129.07037	1.9
131.08598	8.5
133.10127	11.1
135.07170	1.7
135.08038	7.1
135.11708	11.8
137.06017	1.2
137.13286	8.5
139.07552	3.1
139.11090	1.2
143.08575	4.0
145.10136	9.3
147.08046	2.6
147.11708	12.9
149.09618	5.2
149.13252	10.0
151.14806	1.3
155.08568	2.1
156.09395	1.7
157.10175	5.6
159.08093	1.3
159.11739	6.5
161.09656	4.3
161.13255	9.6
163.11172	2.8
163.14839	34.7
165.12813	2.7
169.10162	3.1
171.11717	4.2
173.09685	2.5
173.13258	6.3
175.11238	3.6
175.14851	7.5
177.12851	2.3
177.16397	6.7
179.14436	1.3
180.12436	1.2
183.11705	5.3
185.09628	1.4
185.13278	3.1
187.11221	3.7
187.14787	7.8
189.12776	2.2
189.16389	5.1
191.14320	6.0
191.17975	2.0
195.11722	2.2
197.13287	4.5
199.11253	1.4
199.14871	2.1
201.12735	5.6
201.16481	6.0
203.14308	3.3
203.18004	3.2
205.15918	2.1
207.11765	1.6
209.13303	2.2
211.11227	5.7
211.14818	2.3
213.12848	1.9
213.16402	5.6
215.14453	5.9
215.17929	8.5
217.15942	2.0
219.17442	8.2
221.13297	1.9
221.19005	8.0
223.14845	2.3
225.16443	1.7
227.17946	5.4
229.19490	1.4
233.15384	2.6
237.16504	1.6
239.17973	1.9
241.19604	2.5
243.17503	2.8
244.05614	1.0
245.19017	1.4
248.15370	1.0
251.18015	2.0
253.19615	8.8
255.17487	3.0
255.20964	1.4
257.18976	1.4
263.18002	1.5
267.21216	1.3
269.19049	1.8
271.20578	26.8
281.19022	13.5
281.22247	2.0
285.18399	1.3
299.20068	2.5
361.28693	1.4
379.33820	2.4
382.33469	1.0
389.32083	5.2
393.31711	1.3
407.33148	12.3
417.31583	8.1
425.34189	46.9
435.23978	2.2
435.26099	1.4
435.32663	28.4
453.33688	100.0
454.34052	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.05047	0.4
53.03929	0.8
55.05517	2.4
56.96545	1.5
57.03419	0.7
57.07048	1.5
61.02903	1.2
65.77325	0.5
67.05509	5.6
69.03403	1.3
69.07067	4.5
69.22900	0.9
69.23302	3.7
71.08607	0.6
79.05498	3.5
81.07063	7.4
83.08589	2.2
85.02887	1.5
85.06508	0.6
85.10146	0.5
91.03902	0.8
91.05480	3.0
93.07065	6.3
95.04923	0.7
95.08608	34.0
97.02853	1.6
97.10132	1.6
102.85938	0.5
105.07027	8.2
107.08598	15.5
109.06492	2.1
109.10163	8.0
111.08059	1.2
114.18376	0.5
115.67652	0.4
117.06983	1.1
119.08595	7.9
121.06430	0.6
121.09352	0.5
121.10152	8.8
123.08070	42.8
123.11671	2.1
125.09648	4.2
127.03878	0.7
131.08554	4.3
133.10120	5.0
135.07103	0.7
135.08064	6.6
135.11691	5.3
137.09610	1.3
137.13246	0.7
143.08482	0.7
145.10123	7.3
147.11696	14.9
149.09557	1.8
149.13257	1.2
157.10062	1.2
158.10875	0.6
159.11702	7.4
161.09631	0.7
161.13263	4.5
163.11130	1.3
163.14862	0.6
165.12773	1.2
171.11652	1.5
173.09541	0.5
173.13264	12.4
175.11176	1.6
175.14850	5.1
177.12729	0.7
177.16403	0.9
179.14307	1.4
183.11580	0.9
185.04840	0.6
185.13179	0.7
187.11185	0.6
187.14789	0.8
189.16428	1.1
191.18042	2.3
197.13132	0.8
198.96101	0.6
199.14781	0.5
201.12764	1.5
201.14580	1.1
201.16393	18.0
203.14348	0.6
213.16492	0.9
215.18141	0.6
216.48297	0.5
217.15962	1.1
219.17442	100.0
220.17726	1.1
243.08827	1.1
243.59169	0.7
255.21339	0.6
257.19098	0.7
267.08990	3.4
268.09369	1.5
269.19122	1.1
271.20560	5.5
285.10135	4.1
286.10431	2.2
297.18692	0.7
313.27316	0.8
315.19473	1.8
324.11469	0.8
324.61725	2.5
325.11673	1.0
364.80655	0.5
407.33215	1.6
417.31500	0.9
435.32800	4.6
453.33694	25.0
454.34174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
55.05519	8.6
57.07072	2.3
60.15181	1.0
67.05508	12.8
69.07071	14.4
69.39198	5.4
69.39602	1.9
72.20808	0.9
79.05490	8.2
81.07062	27.6
83.04983	1.2
83.08622	4.3
91.05484	10.6
92.55778	0.8
93.07046	20.3
95.04981	2.2
95.08609	44.1
97.06524	1.7
97.10175	2.4
105.07037	26.7
107.08601	29.8
109.06493	2.6
109.10157	23.1
111.08102	2.9
117.07043	3.8
119.08586	33.7
120.06483	0.9
121.06509	3.1
121.10139	19.7
123.08069	4.7
123.11710	9.1
125.09650	1.3
128.06218	1.2
129.07027	1.9
131.08591	10.9
133.10136	20.2
135.08049	4.9
135.11703	14.3
137.09653	2.8
137.13232	5.3
139.11119	1.1
142.07813	1.1
143.08568	9.1
145.10138	16.9
147.08051	2.4
147.11693	19.2
149.09645	3.4
149.13278	13.7
151.07535	2.6
151.11157	1.8
151.14845	1.2
153.09196	1.3
155.08586	2.7
156.09404	1.8
157.10127	9.9
159.11691	14.2
161.09633	3.0
161.13271	11.5
163.11163	1.3
163.14835	16.7
165.12752	2.1
169.10149	3.7
171.11690	7.8
171.92014	0.9
173.09673	2.1
173.13257	10.1
175.11285	2.3
175.14833	19.8
177.09187	1.7
177.12798	2.6
177.16399	13.9
181.10109	1.4
182.10915	1.5
183.11734	3.8
185.13232	6.5
187.11195	2.1
187.14815	13.2
189.12807	3.3
189.16386	14.4
191.14323	2.3
191.17982	2.2
193.15894	1.5
195.11731	2.6
197.13298	4.6
199.14795	8.2
201.12810	2.2
201.16371	18.8
203.14394	2.0
203.17999	5.4
205.15877	2.1
209.13260	1.6
211.11319	2.5
211.14948	4.3
213.16365	10.3
215.14360	2.8
215.17876	7.9
217.12146	1.0
217.15942	3.9
217.19461	1.1
219.13972	1.2
219.17441	5.9
221.15474	1.7
221.18993	17.5
223.14897	1.7
225.16455	1.5
227.14308	1.5
227.17989	6.8
229.15866	1.4
229.19577	2.8
231.17543	2.9
233.15289	1.7
233.19038	2.0
237.16501	2.7
239.17979	3.8
241.19547	3.7
241.48386	1.1
245.19093	2.4
247.16864	4.5
251.18021	2.0
253.19525	5.8
255.21107	2.3
259.17001	3.1
259.20642	1.6
261.18628	1.4
265.19623	1.9
267.21201	2.0
271.20547	4.7
273.18546	3.8
275.20032	1.2
279.21255	1.3
281.18988	2.3
281.22495	1.1
283.20490	2.0
285.18497	1.8
285.22281	1.4
293.22598	1.1
297.22440	1.8
299.20074	3.7
311.23718	1.3
313.21667	1.3
315.23206	3.5
319.24072	1.2
341.24399	1.3
389.32083	9.6
405.31531	2.4
407.27972	1.3
407.33170	20.2
409.34711	1.3
417.31262	4.7
423.32095	1.5
425.34180	11.3
435.32651	39.0
436.33017	1.8
438.13074	1.7
453.15634	11.9
453.33704	100.0
454.34125	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	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24315	0.4
55.01821	0.8
56.96510	0.7
57.03402	0.6
59.56241	0.5
61.02871	1.3
61.03133	0.4
67.05438	0.5
69.03357	4.5
69.56636	2.9
70.06551	0.9
71.01294	0.5
71.04942	0.7
72.08079	2.0
81.03334	1.6
83.08553	0.6
84.08068	0.9
85.02903	8.1
87.04397	1.0
97.02921	4.9
98.05989	0.5
98.97549	1.0
99.04430	1.1
107.04862	1.2
107.08507	1.6
109.02791	1.3
110.09603	0.5
112.11174	1.4
112.85216	0.5
113.07057	1.2
116.01610	0.5
121.02795	0.7
122.06004	0.6
123.04357	1.3
124.07453	0.4
125.02248	0.5
125.09633	4.1
127.03870	2.8
128.98613	0.6
133.04829	0.4
136.07573	4.4
139.03873	0.9
140.04698	2.6
140.07018	0.8
143.10634	1.1
145.04915	1.9
153.01845	2.7
155.11778	1.2
159.06581	0.4
160.04231	1.2
160.07568	1.2
161.05841	0.5
172.07607	3.5
178.04962	1.0
183.06816	0.6
184.07588	2.2
185.08235	2.0
186.09151	32.2
188.06906	0.5
196.07532	1.5
197.08246	1.2
198.09140	2.9
198.12343	1.1
199.07625	2.4
199.09880	1.3
200.06970	0.8
200.10646	2.0
206.04526	2.8
210.09132	20.0
212.07031	1.3
213.07854	1.4
214.08640	57.0
215.09169	0.8
219.07954	0.5
228.10193	5.6
237.09015	0.6
238.08646	14.1
256.09705	21.0
274.10748	100.0
275.11038	1.0
292.11783	67.3
293.12286	0.8
390.21609	0.4
414.94324	0.5
436.16235	1.9
436.22440	3.0
454.17239	52.8
454.23456	6.8
455.16992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05505	2.7
57.03437	4.6
57.07078	21.6
57.88924	0.5
60.19587	0.7
62.06091	26.7
63.23323	0.6
65.05547	0.6
65.72370	0.6
67.05516	4.7
69.07066	5.2
69.80341	3.0
71.08634	14.7
75.21687	0.9
78.78741	0.6
79.05484	1.2
81.03420	0.8
81.07058	7.1
83.08621	4.0
85.02859	0.7
85.10189	8.3
89.06032	0.6
90.00514	0.6
90.84683	0.7
91.05466	0.7
93.07040	2.6
95.08607	11.0
96.08890	0.6
97.10163	2.1
98.21461	0.8
98.98470	6.1
99.11739	0.8
105.07021	2.0
107.08589	2.4
109.10135	6.1
119.08576	1.6
120.08887	1.1
121.10162	1.7
122.10532	0.7
123.11681	1.9
124.01549	1.4
131.08563	0.7
133.10078	0.8
135.11731	0.8
140.57747	0.7
142.02661	1.6
145.10080	1.2
146.10417	1.0
147.11571	0.8
155.01024	5.2
159.11665	1.1
175.14867	1.0
176.15210	1.1
177.12894	0.8
187.14757	1.0
189.16379	0.9
190.16792	0.9
198.05304	1.5
216.06247	3.4
219.17458	1.3
225.09091	0.7
239.23720	2.1
269.12344	2.4
282.27917	11.4
313.27371	100.0
314.27618	1.8
393.23929	7.2
408.33667	1.0
436.27789	4.9
436.33099	2.5
454.29074	1.7
454.34445	7.5
470.28171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2047
Annotation	Diplacol 4'-methylether
Peak:m/z	Relative Intensity
53.03955	0.8
54.32510	0.7
55.01857	0.7
55.05509	2.3
56.31172	0.7
56.96551	1.4
57.03450	7.5
57.07062	0.7
67.05497	2.6
69.03439	4.5
69.07065	2.0
69.78593	2.5
71.05000	42.0
73.02921	1.6
75.04485	1.2
79.05491	2.3
81.03417	1.3
81.07067	4.7
83.04988	2.5
83.08617	0.9
84.48846	0.7
85.02913	47.9
85.06539	1.2
87.04472	0.9
91.05477	6.1
93.07040	3.2
95.04940	0.9
95.08625	4.3
97.02863	1.3
98.21485	1.2
98.97584	1.6
99.04479	1.2
100.11287	1.2
105.07047	3.9
107.04957	1.0
107.08591	2.7
108.49734	0.7
109.06503	1.0
109.10137	3.2
111.04435	1.2
117.07011	0.8
119.04954	11.8
119.08561	3.3
121.02872	1.7
121.06513	0.7
121.10159	2.3
123.08094	1.2
125.09589	1.0
127.03890	3.0
129.05505	14.4
129.85506	0.7
131.08571	1.5
133.10143	2.1
135.08037	1.1
135.11662	2.2
137.09650	1.3
143.08578	1.3
145.10121	2.1
147.04425	77.3
147.06465	3.3
147.11699	2.8
151.07593	0.9
159.08104	0.8
159.11676	2.0
161.05858	1.2
161.09653	1.3
163.02344	0.8
165.05492	2.6
165.09125	2.2
171.11703	1.1
175.14813	1.0
175.48888	0.7
187.14854	0.9
189.16394	1.0
191.07207	0.8
211.14906	1.2
217.15967	0.8
275.20245	1.2
285.10098	1.3
291.08530	2.9
293.17191	2.9
309.09653	4.6
309.12790	0.7
369.80566	0.8
445.83868	0.8
455.20462	100.0
455.34448	3.2
456.20761	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	455.3521
Annotation	CHEBI:69224
Peak:m/z	Relative Intensity
55.05516	6.2
57.07058	1.6
59.04998	0.7
65.03934	0.9
67.05505	7.7
69.03444	0.7
69.07066	10.3
69.27550	3.6
69.27973	1.6
71.04984	1.7
71.08608	0.7
79.05496	5.2
81.07060	15.5
83.04983	0.9
83.08630	5.0
85.06532	1.4
85.10195	0.6
91.05478	5.9
93.01927	0.6
93.06475	0.9
93.07044	12.6
95.04972	1.5
95.08611	21.4
97.06507	1.3
97.10174	3.0
99.04447	1.5
99.08075	1.0
101.06043	0.9
105.07030	11.9
107.08593	15.4
109.06514	2.0
109.10155	15.1
111.08079	1.1
113.06026	0.8
115.86175	0.6
117.07024	1.7
119.08583	15.0
121.06541	1.0
121.10149	15.4
123.08068	1.7
123.11710	10.1
125.09657	0.6
128.06258	0.8
129.06993	1.2
130.73668	0.5
131.08569	5.8
133.10129	14.0
135.08063	1.9
135.11690	9.4
137.09587	0.8
137.13258	3.8
142.07683	0.6
143.08549	4.9
145.10115	11.7
147.08054	1.9
147.11684	10.7
149.09612	1.8
149.13263	6.2
151.11201	1.8
151.14758	0.6
155.08563	2.2
157.10127	7.5
159.08080	0.6
159.11690	8.9
161.09686	2.7
161.13271	6.4
163.11232	1.5
163.14815	1.9
165.12651	0.9
166.61827	0.6
169.10147	3.5
170.10803	0.7
171.11688	5.0
173.09651	1.3
173.13263	5.6
175.11174	1.5
175.14792	5.0
177.12741	1.2
177.16431	1.6
181.10207	0.6
181.12248	0.8
182.10910	0.7
183.10219	0.8
183.11664	4.8
185.09662	0.6
185.13231	5.2
187.11206	1.1
187.14833	6.1
189.12848	1.0
189.16351	4.7
191.14444	0.6
191.17929	1.8
192.11226	0.6
193.12059	0.6
195.11719	1.1
195.13792	1.9
196.12488	0.9
197.13318	4.4
199.14839	5.7
201.12845	0.7
201.16386	4.7
203.14352	0.8
203.17957	4.0
205.15898	0.8
209.13269	1.2
211.14928	3.3
212.15500	0.6
213.12729	0.7
213.16550	2.9
215.14381	0.9
215.17897	2.9
215.78734	0.5
217.15936	1.5
217.19508	2.0
219.13907	0.8
219.17435	1.9
223.14922	1.0
223.16930	0.7
225.16440	2.3
227.17950	2.2
229.15872	1.0
229.19565	2.4
231.17503	1.2
231.21024	0.9
233.15346	0.9
239.17921	2.8
241.19531	3.3
243.17534	1.0
243.21086	2.1
245.19046	0.7
247.16925	1.2
253.19493	5.4
255.17545	0.6
255.21085	2.4
257.18912	1.1
267.21066	10.7
269.22656	3.2
271.20523	1.3
275.19812	0.9
279.21118	0.6
281.19653	0.9
281.22491	3.4
283.24191	1.1
285.22134	1.5
295.24191	1.1
299.23734	0.7
301.21506	1.2
307.24103	0.9
309.25763	0.7
311.23792	1.1
313.21613	1.0
313.25336	1.7
325.25446	1.1
325.28894	1.3
327.27228	0.6
339.23181	0.7
341.24820	0.6
381.27713	1.0
389.31998	1.8
391.33661	3.2
397.30917	1.1
407.33258	3.3
409.34607	7.9
419.33282	6.2
425.34204	4.3
427.35614	0.7
437.34219	28.3
455.35214	100.0
456.35602	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03966	1.9
55.05516	9.3
56.96585	2.5
57.03443	3.3
57.07082	4.3
58.75253	1.2
59.05003	1.5
64.42012	1.4
67.05505	16.9
69.03452	1.8
69.07077	18.0
71.05009	3.2
79.05507	11.1
81.07064	36.1
81.07515	2.0
83.08652	6.7
85.02932	2.0
91.05493	13.9
93.07059	23.3
95.05009	1.9
95.08618	56.8
97.06553	1.8
97.10193	4.5
105.07049	28.9
105.07696	2.4
107.07894	2.6
107.08604	40.0
109.10162	32.1
109.10820	2.2
111.08127	4.0
112.87209	1.5
116.80360	1.4
117.07065	5.5
117.07970	1.4
119.08595	49.4
121.10155	38.2
123.08167	2.0
123.11724	16.0
129.07071	2.7
131.08560	13.1
133.10147	38.3
135.11696	26.5
137.09647	2.4
137.13330	6.2
139.11258	1.8
143.08636	6.2
145.10133	22.0
147.11703	25.7
147.12752	1.5
149.09665	3.0
149.13278	15.5
151.11243	2.1
151.14905	3.3
153.09178	3.4
155.08704	2.0
157.10135	10.5
159.11700	24.1
159.12820	2.1
161.09642	2.9
161.13275	20.5
163.11322	1.7
163.14806	20.3
165.12862	2.3
169.10284	3.2
171.11714	7.1
173.09636	1.6
173.13254	16.8
175.11209	1.6
175.14851	22.3
177.16351	9.6
179.10779	1.6
179.14331	7.3
183.11798	3.5
184.12569	1.6
185.13379	6.2
185.96059	1.7
187.14815	19.5
189.12816	8.7
189.16405	51.9
191.17937	10.4
193.15974	2.1
195.11981	1.6
197.13405	2.5
199.14847	7.6
200.15854	1.7
201.12991	1.4
201.16391	30.5
203.14478	1.7
203.17979	29.3
203.19719	2.3
207.13988	2.1
207.17484	8.7
211.14786	3.4
213.16495	5.0
215.14607	1.4
215.17982	15.9
217.12541	2.0
217.16045	7.2
217.19669	4.7
219.13895	2.7
219.17409	7.2
221.15582	1.8
221.19151	4.0
225.16586	2.6
227.18150	5.9
229.07466	1.7
229.19542	17.5
231.17564	2.3
231.21333	4.6
233.15591	4.4
233.19106	2.3
235.13399	2.3
235.17097	6.0
239.18188	5.0
241.19582	6.8
243.09077	2.1
243.21118	11.5
247.17070	9.3
247.20631	2.8
249.18764	2.2
253.19621	3.3
255.21225	5.6
259.20517	1.6
261.18735	5.2
261.22382	1.9
267.21265	2.9
269.10712	2.3
269.22888	4.0
273.18704	2.0
275.20352	4.1
281.19504	1.7
281.22711	1.5
287.20346	4.5
289.21738	2.2
299.20285	2.8
301.21771	4.8
374.75443	1.7
391.33789	10.2
409.34860	29.8
419.33691	3.2
437.34473	40.7
437.39758	3.0
455.35556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.05510	9.1
56.31483	1.1
56.44658	1.0
57.03442	1.5
57.07078	1.7
57.24646	1.0
65.03915	1.6
67.05501	14.1
69.07063	14.6
70.97729	1.4
70.98055	1.7
79.05488	13.3
81.07056	26.3
83.08615	6.7
85.06540	2.1
88.89820	1.2
91.05480	10.7
93.07049	22.7
95.04959	1.8
95.08608	63.2
97.06518	1.6
97.10180	4.2
105.07039	27.1
107.04992	1.5
107.08595	35.7
107.09302	2.2
109.06542	3.3
109.10155	24.8
111.08089	12.5
111.11756	1.6
117.07039	4.8
119.08575	32.9
121.06525	3.0
121.10146	27.2
121.11037	1.5
123.08075	48.1
123.11716	10.5
125.05936	1.1
125.09631	7.2
128.06224	1.3
129.06979	2.6
131.08548	11.7
133.10127	22.6
135.08083	11.9
135.11696	16.3
137.09647	1.9
137.13271	3.2
139.11156	2.9
142.07825	1.6
143.08562	9.4
144.09314	1.7
145.10127	20.8
147.08073	3.4
147.11688	41.5
149.09613	3.9
149.13264	13.7
153.09245	1.2
155.08461	1.1
157.10133	10.7
158.07202	1.3
159.08064	1.7
159.11684	21.3
159.12874	1.9
161.09669	4.7
161.13243	19.0
162.13631	1.1
163.11235	1.5
163.14844	9.3
165.12874	1.5
169.10147	2.8
171.11737	4.8
172.12384	1.5
173.09666	3.2
173.13274	24.4
175.11276	5.3
175.14799	8.4
177.16397	7.2
183.11748	2.2
185.09721	1.5
185.13255	12.9
187.11220	2.8
187.14781	7.9
189.12744	2.2
189.16388	15.0
191.14349	3.7
191.17953	7.7
195.11705	1.5
197.13275	2.8
199.11356	1.5
199.14894	3.9
201.12796	3.4
201.16380	33.1
203.14331	14.6
203.17955	11.0
205.15918	3.7
205.19450	1.8
207.17480	4.8
209.13316	1.7
211.14888	1.4
213.16458	3.2
215.14406	2.1
215.17912	6.7
217.15999	2.3
217.19531	2.9
219.13905	6.8
219.17441	97.5
221.13333	2.0
221.15373	14.2
221.19020	2.8
225.16505	1.6
227.14400	1.9
227.18025	3.5
229.19513	2.2
231.17569	1.9
235.20543	1.6
239.18091	2.5
241.19528	2.9
243.17604	2.2
243.21161	2.1
245.18988	1.9
247.17084	2.4
249.18538	1.5
252.84784	1.3
253.19604	1.6
255.21019	2.6
259.20654	1.2
261.18573	3.0
269.22766	1.1
271.20496	6.8
281.19086	3.1
283.20554	1.9
285.22308	3.3
299.20007	2.5
301.21753	2.4
311.23959	1.3
313.25412	1.7
317.21259	4.0
391.33566	3.3
397.31149	1.8
407.33176	3.7
409.34943	10.6
419.33438	8.4
425.34308	2.6
437.34268	36.3
455.35291	100.0
456.35547	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	455.3522
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.18658	4.2
55.05498	15.2
57.07072	4.7
57.17627	3.8
60.77554	4.2
66.02339	3.5
67.05522	23.6
69.03411	3.8
69.07078	27.5
76.95634	3.9
79.05485	13.7
81.07063	52.4
83.08604	13.4
83.80543	3.7
91.05480	14.8
93.07048	42.7
95.08613	92.6
97.10158	5.0
98.21510	11.1
105.07037	42.3
107.08607	89.4
109.10156	48.8
111.08114	7.4
116.22216	3.8
117.06989	5.8
119.08590	92.2
121.10148	59.1
123.11746	22.5
129.06978	6.3
131.08571	20.6
133.10141	65.5
135.11694	49.4
137.13300	9.6
143.08534	8.3
145.10114	37.8
147.11667	49.6
149.13242	28.8
157.10149	7.7
159.11700	39.5
161.13286	43.6
163.14821	31.1
171.11664	11.2
173.13313	28.8
173.52847	3.9
175.14870	51.5
177.16341	22.9
179.14317	16.2
185.13268	12.3
187.14868	33.1
189.14793	8.2
189.16408	96.8
191.17996	25.0
191.81448	4.4
193.15895	4.4
199.14755	6.6
201.16396	74.1
203.17986	62.6
207.17421	11.9
213.16405	9.6
215.17963	36.5
217.15868	4.2
217.19545	12.1
219.17412	13.5
221.15288	6.4
221.19058	12.6
227.18015	7.1
229.02432	4.5
229.19513	44.9
231.21176	12.5
235.16927	11.2
235.34477	3.9
235.64355	4.1
241.19472	9.7
243.21152	23.0
247.16985	25.5
249.18657	4.3
255.21123	16.6
257.22656	6.3
269.10709	4.6
269.22833	4.6
275.20108	16.7
287.11713	4.6
287.20117	9.5
301.21555	7.9
306.77454	4.3
316.11765	6.7
322.54922	4.3
341.24658	5.2
364.35129	4.7
391.33569	16.6
409.34720	53.0
437.34277	100.0
455.30075	4.9
455.35400	66.9
458.11356	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	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.24625	1.1
53.56476	1.0
55.05507	2.7
57.07077	1.1
59.04984	1.0
63.82565	0.9
64.67004	0.9
67.05494	3.4
69.07067	3.9
69.48663	7.4
71.04930	0.9
79.05504	4.5
81.07051	10.5
83.08630	1.8
91.05480	3.0
93.07047	7.0
95.08605	11.9
97.06560	1.2
97.10138	1.6
105.07013	6.4
107.08605	14.5
109.10149	8.5
119.08588	18.0
121.06541	1.8
121.10150	6.5
123.11708	3.9
125.06013	5.1
131.08548	2.5
133.10132	15.9
135.08052	3.4
135.11697	14.7
137.09602	1.8
137.13274	1.4
139.07541	4.2
143.08586	1.9
145.10123	6.8
147.08083	1.3
147.11673	11.5
149.09616	2.5
149.13286	3.3
151.11177	2.1
155.08578	1.2
157.10146	2.4
159.08032	2.3
159.11710	5.2
161.09654	2.4
161.13277	3.9
162.04396	1.2
163.14822	3.2
169.10199	1.4
171.11678	2.4
173.09660	3.9
173.13306	1.7
175.11247	3.5
175.14851	1.4
177.09134	3.8
185.13304	1.3
187.11137	8.7
187.14862	4.9
189.16389	33.0
191.10608	1.6
197.13280	3.1
199.14935	1.9
203.17958	1.7
205.15947	3.6
205.19641	1.1
207.17442	72.1
211.14873	1.5
213.16374	1.4
215.14346	13.1
217.15964	1.2
229.15878	61.0
231.17468	8.3
233.15381	22.4
243.17624	5.0
247.16936	19.1
247.68907	1.2
257.18982	2.1
261.18497	1.2
283.20602	4.0
409.35065	1.5
419.33282	2.9
437.34238	28.0
438.34262	1.5
455.35251	100.0
456.35733	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	455.3522
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
53.03946	1.6
55.01881	1.3
55.05513	10.5
56.96581	1.3
57.07083	5.7
65.03957	1.4
67.05509	21.1
69.03432	1.8
69.07072	17.4
71.08636	1.9
71.26656	2.3
79.05499	10.9
81.03465	1.2
81.07063	38.7
81.07518	2.2
83.05005	3.1
83.08629	9.1
85.02933	1.9
85.06617	1.6
91.05484	12.1
93.07053	29.5
95.05036	1.6
95.08615	100.0
97.06566	2.3
97.10155	6.3
105.07043	33.0
107.04971	1.5
107.08603	43.9
109.06557	3.2
109.10165	38.6
111.08134	2.3
111.11770	2.6
111.53893	1.1
115.05470	1.2
117.07079	5.0
119.08588	54.2
121.01981	1.1
121.06591	2.7
121.10155	35.2
123.08112	3.6
123.11727	19.2
123.12563	1.3
125.09644	3.2
127.11217	1.7
131.08582	15.7
133.06631	1.2
133.10136	31.6
133.11055	1.9
135.08153	4.5
135.11703	31.2
137.09712	3.8
137.13252	15.0
137.14201	1.2
139.07562	1.7
143.08652	5.1
145.10138	31.0
147.08096	2.0
147.11691	21.3
149.09740	2.8
149.13263	20.8
151.07645	2.4
151.11261	1.8
155.08578	2.2
157.10255	4.8
159.08057	2.3
159.11703	17.4
161.09656	1.5
161.13255	18.4
163.07623	3.3
163.11241	1.8
163.14845	10.6
165.09244	4.9
169.10184	1.4
171.10455	1.4
171.11794	5.0
173.09686	3.0
173.13284	13.3
175.14838	18.1
177.09225	1.6
177.12834	2.7
177.16394	6.6
179.10789	2.2
179.14555	2.1
185.13454	3.4
187.11322	3.3
187.14841	15.5
189.12828	4.1
189.16357	14.0
191.10643	3.0
191.14360	3.6
191.17961	64.1
193.12408	2.0
193.15930	1.6
197.13370	1.6
199.11227	2.2
199.14970	4.6
201.16399	53.6
203.14345	15.3
203.15843	1.5
203.17963	31.5
205.12242	1.9
205.15892	10.1
205.19504	13.6
207.17474	1.8
211.15022	1.6
213.16508	3.8
215.18088	4.2
217.12389	2.9
217.16049	4.5
217.19481	6.0
219.14114	2.7
219.17453	17.9
219.21082	1.4
221.15395	1.7
227.18193	1.6
229.15872	7.9
229.19666	2.1
231.17491	2.3
231.21167	3.4
233.15538	5.1
235.17122	1.4
241.19543	2.2
243.21307	2.0
245.15523	3.0
245.22797	1.5
247.16966	24.8
247.19389	1.5
249.15031	3.4
251.07324	1.2
255.21310	2.1
257.19241	1.9
265.18042	5.7
391.33795	4.8
409.34708	24.5
411.36389	7.9
412.28531	1.4
419.33292	4.1
437.34482	18.0
455.25851	1.8
455.35568	41.3
456.36160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
50.23082	0.9
53.03939	1.4
55.05516	9.4
57.07074	2.7
57.34852	1.0
65.03944	1.1
67.05511	15.0
68.34727	0.8
69.07078	16.3
69.97560	0.9
71.05000	1.2
71.22867	1.6
79.05496	12.2
81.07067	26.2
81.07529	1.7
83.08620	8.3
85.06559	0.9
91.05490	15.5
93.07052	29.5
95.04994	1.7
95.08617	40.6
97.06567	1.6
97.10183	5.7
105.07040	31.6
107.04961	2.0
107.07877	2.1
107.08601	39.5
109.06552	2.2
109.10163	27.4
111.08156	1.2
111.63168	0.8
115.05508	1.6
117.07038	3.1
119.08591	32.6
121.06494	1.9
121.10148	29.6
123.08053	1.3
123.11734	14.8
125.06032	1.9
125.09682	1.4
128.06256	1.4
129.07036	3.6
131.08589	10.2
133.06511	1.7
133.10141	24.6
135.08125	0.9
135.11708	40.6
137.06030	2.6
137.13249	5.2
141.07019	1.0
142.07942	1.3
143.08569	6.2
145.06543	1.0
145.10146	14.6
147.08063	2.4
147.11697	23.1
147.12782	1.4
149.09676	1.7
149.13266	18.9
149.14343	1.4
151.07651	1.4
151.11255	1.1
151.14827	1.1
154.07706	0.9
155.08606	2.1
157.10141	7.6
159.08080	1.6
159.11708	10.9
161.09717	2.5
161.13266	15.0
162.47397	0.9
163.07594	2.1
163.11224	1.7
163.14818	8.0
165.09154	2.6
167.17310	1.0
168.09302	1.0
169.10173	3.1
171.11664	5.0
173.09732	2.1
173.13272	7.2
175.11269	1.0
175.14845	11.5
177.09175	1.7
177.16449	4.7
179.10666	1.2
183.11768	3.6
185.13354	3.3
187.11282	1.8
187.14807	9.1
189.12822	1.7
189.16403	32.9
191.10783	1.5
191.17966	25.4
191.19589	1.9
197.13321	1.7
199.11296	1.1
199.14839	4.3
201.12865	1.9
201.16408	10.7
203.14420	1.7
203.17978	34.1
205.12346	1.2
205.15959	2.1
205.19640	3.9
207.13853	2.2
207.17465	1.7
209.13441	1.1
211.14880	2.0
213.16467	3.2
215.14334	1.9
215.18080	3.7
217.12228	1.5
217.16025	2.0
217.19572	5.3
219.13875	3.6
219.17456	1.4
221.15474	2.8
223.14830	1.2
223.51062	0.9
225.16443	1.4
227.17937	2.2
229.16020	3.5
229.19501	5.0
231.17548	2.9
231.21266	3.0
233.15454	4.3
233.18980	1.2
237.16402	1.3
239.18044	1.3
241.19617	4.2
243.21141	1.9
245.15515	1.8
247.17043	5.3
249.18657	4.0
253.16238	1.0
253.19635	4.2
255.21198	5.0
259.20682	2.9
261.18555	1.3
263.16434	1.0
265.18146	2.0
269.22723	1.4
271.20636	1.9
273.22180	1.6
281.22845	4.5
283.20551	1.0
289.21762	1.3
295.21091	1.2
295.24377	1.8
299.23776	1.1
327.23111	1.4
341.24966	1.2
367.26508	1.3
379.33994	3.0
381.35144	1.3
391.33636	7.1
393.35309	1.9
409.30396	1.6
409.34885	20.0
411.36386	3.0
419.33264	6.7
425.34314	3.2
427.35910	3.4
437.34290	26.9
455.35406	100.0
456.35611	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	455.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05511	11.9
57.07069	5.3
63.60768	1.4
67.05505	18.6
69.07077	21.6
71.39058	3.1
77.81786	1.4
79.05501	13.4
81.06588	2.5
81.07063	46.2
82.74826	1.5
83.08627	9.3
88.11925	1.4
91.05483	16.6
93.07053	39.0
95.04978	1.6
95.08614	73.6
97.10178	7.8
101.06001	1.5
105.07037	44.3
107.04891	1.3
107.07872	2.7
107.08601	51.6
109.06548	2.7
109.10161	43.7
109.10926	2.2
111.08088	2.4
111.11673	1.9
117.07011	6.4
117.35412	1.4
119.08589	100.0
121.09318	2.7
121.10155	40.3
121.44112	1.3
123.08025	2.7
123.11723	19.5
125.09698	2.0
127.41583	1.2
129.07008	1.7
131.08563	18.7
133.10139	35.6
135.08046	2.2
135.11699	37.6
137.13263	11.6
139.11212	1.5
141.66808	1.4
143.08557	3.5
145.10130	30.2
147.11697	32.3
149.13280	23.3
155.08685	1.9
157.10126	6.1
159.10481	2.0
159.11720	22.6
161.09750	1.5
161.13264	27.8
163.07538	3.8
163.11176	4.1
163.14830	13.4
165.09119	3.2
165.12672	1.8
169.10147	1.7
171.11699	5.9
172.12437	2.2
173.13251	15.1
175.14841	23.8
177.12779	1.4
177.16414	8.3
179.14366	3.1
179.17923	1.5
183.11705	2.7
185.13251	4.8
187.14809	15.4
189.16389	36.3
191.14365	3.6
191.17961	92.3
193.12082	1.8
193.15898	1.6
197.13257	1.5
199.14848	7.1
201.16396	31.5
203.14395	1.9
203.17975	51.9
205.12225	1.6
205.15849	6.9
205.19551	11.8
207.13864	2.4
209.11635	2.0
211.14877	2.8
213.16408	6.4
215.17989	2.9
217.15880	4.4
217.19525	19.8
219.13844	1.5
219.17451	16.4
219.21002	3.0
227.17892	3.3
229.15970	3.3
229.19530	3.8
231.17491	3.5
231.21165	4.1
233.15381	3.1
235.16965	1.6
237.14842	3.9
237.18488	3.2
239.16354	1.5
241.19592	1.9
245.15335	4.3
245.22601	6.8
247.16931	10.5
251.16287	2.1
263.16562	1.7
265.18039	14.9
277.17981	5.0
305.21149	1.8
371.25790	1.8
391.33679	2.1
409.35065	8.4
414.89801	1.8
419.33179	2.5
437.34241	5.8
455.35544	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	456.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01880	1.0
55.05513	3.6
56.96566	5.7
57.03448	6.0
57.07068	0.9
61.02922	1.7
65.03948	2.4
67.05502	3.3
69.03429	5.6
69.07069	7.0
70.06595	1.3
71.04999	23.0
71.53667	1.6
72.05330	3.8
73.02921	6.5
79.05506	3.0
81.03419	2.2
81.07063	5.5
83.05000	2.1
83.08620	2.8
84.96029	2.0
85.02913	37.7
86.03246	6.3
91.05492	13.9
93.07061	5.6
95.08625	6.2
97.02888	6.0
97.06531	3.5
97.10167	1.4
98.97591	6.1
105.07053	5.9
106.07342	1.3
107.04967	1.3
107.08599	6.4
109.02880	1.4
109.10160	5.1
110.97572	2.5
112.12811	1.1
115.03983	1.8
116.98637	2.5
117.06992	2.1
119.04951	19.2
119.08577	6.4
120.05285	2.3
121.06515	2.0
121.10149	5.7
123.04448	3.2
123.08058	1.3
123.11739	2.0
124.07619	1.3
125.09661	1.4
127.03931	3.8
128.98651	1.9
129.05498	6.4
129.07005	1.4
130.05833	1.7
131.00220	1.1
131.08560	2.3
133.10132	3.5
135.08070	1.8
135.11693	3.2
137.09624	2.0
137.13203	1.0
139.11122	1.3
143.00192	1.7
145.04951	2.5
145.10168	2.4
147.04422	100.0
147.11685	2.6
148.04750	18.6
148.48286	1.0
149.13284	1.3
151.07605	1.1
153.01968	1.2
157.10077	1.7
158.21016	0.9
158.99696	2.3
159.08035	1.7
159.11682	2.7
161.09674	1.3
163.06241	0.9
163.07539	4.2
163.11243	1.1
165.05504	1.4
165.09149	4.2
170.99684	1.7
171.11632	1.9
173.01263	1.5
173.05946	1.7
173.13280	1.0
175.14821	1.5
177.00714	1.4
178.82713	0.9
179.07036	1.0
183.11743	1.4
187.14787	1.0
189.00650	1.2
189.16447	2.1
190.08652	2.7
191.07057	15.5
191.17986	2.4
195.05070	1.1
197.01283	1.3
198.06639	1.0
199.14857	1.4
201.00752	1.9
201.16443	1.9
203.02341	1.7
203.18098	1.0
207.13600	1.2
208.09695	27.7
219.01872	2.7
219.10211	2.0
223.14642	0.9
239.02330	2.3
243.01666	1.6
257.03384	1.4
275.20325	1.4
276.20660	1.4
285.10196	1.1
287.05530	8.0
292.09039	1.7
293.17404	1.9
294.08066	2.0
294.17572	2.3
310.10141	1.4
313.07648	3.6
325.00156	1.6
329.05695	1.7
343.01337	4.3
345.23801	1.0
347.06567	1.7
361.02319	29.4
361.78094	1.2
362.02774	1.7
365.05533	1.8
379.03412	6.0
383.07272	0.9
384.03894	1.5
385.02451	2.2
389.07779	2.2
390.07864	3.1
403.03308	2.5
437.34280	1.4
438.19760	2.4
455.22601	2.4
455.36118	4.8
456.09872	3.5
456.21738	15.2
456.30927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01880	1.0
55.05513	3.6
56.96566	5.7
57.03448	6.0
57.07068	0.9
61.02922	1.7
65.03948	2.4
67.05502	3.3
69.03429	5.6
69.07069	7.0
70.06595	1.3
71.04999	23.0
71.53667	1.6
72.05330	3.8
73.02921	6.5
79.05506	3.0
81.03419	2.2
81.07063	5.5
83.05000	2.1
83.08620	2.8
84.96029	2.0
85.02913	37.7
86.03246	6.3
91.05492	13.9
93.07061	5.6
95.08625	6.2
97.02888	6.0
97.06531	3.5
97.10167	1.4
98.97591	6.1
105.07053	5.9
106.07342	1.3
107.04967	1.3
107.08599	6.4
109.02880	1.4
109.10160	5.1
110.97572	2.5
112.12811	1.1
115.03983	1.8
116.98637	2.5
117.06992	2.1
119.04951	19.2
119.08577	6.4
120.05285	2.3
121.06515	2.0
121.10149	5.7
123.04448	3.2
123.08058	1.3
123.11739	2.0
124.07619	1.3
125.09661	1.4
127.03931	3.8
128.98651	1.9
129.05498	6.4
129.07005	1.4
130.05833	1.7
131.00220	1.1
131.08560	2.3
133.10132	3.5
135.08070	1.8
135.11693	3.2
137.09624	2.0
137.13203	1.0
139.11122	1.3
143.00192	1.7
145.04951	2.5
145.10168	2.4
147.04422	100.0
147.11685	2.6
148.04750	18.6
148.48286	1.0
149.13284	1.3
151.07605	1.1
153.01968	1.2
157.10077	1.7
158.21016	0.9
158.99696	2.3
159.08035	1.7
159.11682	2.7
161.09674	1.3
163.06241	0.9
163.07539	4.2
163.11243	1.1
165.05504	1.4
165.09149	4.2
170.99684	1.7
171.11632	1.9
173.01263	1.5
173.05946	1.7
173.13280	1.0
175.14821	1.5
177.00714	1.4
178.82713	0.9
179.07036	1.0
183.11743	1.4
187.14787	1.0
189.00650	1.2
189.16447	2.1
190.08652	2.7
191.07057	15.5
191.17986	2.4
195.05070	1.1
197.01283	1.3
198.06639	1.0
199.14857	1.4
201.00752	1.9
201.16443	1.9
203.02341	1.7
203.18098	1.0
207.13600	1.2
208.09695	27.7
219.01872	2.7
219.10211	2.0
223.14642	0.9
239.02330	2.3
243.01666	1.6
257.03384	1.4
275.20325	1.4
276.20660	1.4
285.10196	1.1
287.05530	8.0
292.09039	1.7
293.17404	1.9
294.08066	2.0
294.17572	2.3
310.10141	1.4
313.07648	3.6
325.00156	1.6
329.05695	1.7
343.01337	4.3
345.23801	1.0
347.06567	1.7
361.02319	29.4
361.78094	1.2
362.02774	1.7
365.05533	1.8
379.03412	6.0
383.07272	0.9
384.03894	1.5
385.02451	2.2
389.07779	2.2
390.07864	3.1
403.03308	2.5
437.34280	1.4
438.19760	2.4
455.22601	2.4
455.36118	4.8
456.09872	3.5
456.21738	15.2
456.30927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1479
Annotation	HZ52
Peak:m/z	Relative Intensity
51.32480	0.3
60.77935	0.3
64.90485	0.3
69.03419	0.6
69.43781	2.1
71.05043	0.3
79.05489	0.8
81.03428	0.6
81.05819	0.4
81.07051	0.8
85.02898	0.6
96.08114	0.9
97.02878	0.8
98.21478	0.7
101.00841	0.4
109.02907	0.4
112.07567	0.5
124.07599	5.8
127.03915	0.4
142.08633	7.2
153.01831	4.2
153.02950	0.5
189.65125	0.3
216.07195	0.5
253.45146	0.3
254.08690	0.5
274.11005	0.3
282.08380	0.4
317.08459	0.8
324.10513	2.8
342.10217	1.6
371.55774	0.3
450.10028	0.3
456.14786	100.0
457.14868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49379	0.3
51.88828	0.3
55.68344	0.3
56.29435	0.3
62.79216	0.3
64.12056	0.3
69.03434	0.9
69.43923	2.8
70.06595	0.5
71.04973	0.4
73.02940	0.6
77.88316	0.4
79.05502	0.4
80.27234	0.3
85.02904	2.1
85.06557	0.6
89.65783	0.3
91.33862	0.3
97.02907	0.8
98.20843	0.5
106.06534	0.4
109.02862	0.3
115.03935	0.4
124.07606	3.1
127.03934	1.2
127.07557	1.6
133.06479	0.4
136.07619	0.5
137.05923	0.6
138.09119	0.4
140.07060	0.4
142.08664	4.7
145.04982	0.9
147.04541	0.4
153.01837	3.1
161.05959	0.6
162.55957	0.4
216.07204	0.5
240.07344	0.4
254.08757	0.6
258.08160	0.7
282.08362	0.6
284.11612	0.6
289.88205	0.4
294.13388	0.4
300.08792	0.3
302.12720	1.2
317.08423	0.8
320.10944	0.4
324.10513	2.9
342.10492	1.8
361.21268	0.4
456.14780	100.0
457.15051	1.6
457.46732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01881	7.6
55.05511	0.9
57.03444	14.1
59.05011	1.9
61.02931	9.5
67.05515	2.5
69.03439	22.9
71.01358	2.1
71.04999	1.8
71.53581	1.1
72.04516	0.7
73.02926	24.4
79.05511	0.7
81.03434	6.7
81.07070	2.0
83.08624	0.7
85.02915	100.0
87.04485	4.0
91.03970	6.0
91.05489	1.6
93.07063	1.2
93.87701	0.7
95.08635	2.1
97.02904	37.2
99.04457	4.8
101.02416	0.9
103.03968	2.3
105.07050	1.7
107.08619	1.9
109.02903	7.3
109.10171	1.5
114.52538	0.6
115.03946	14.1
119.08587	2.0
121.10171	1.6
123.08080	0.7
123.11777	0.7
127.03934	28.3
128.46417	0.6
128.63005	0.6
131.08640	1.2
132.06596	2.0
133.04985	22.3
133.10190	1.8
134.10399	0.8
136.11992	1.0
145.04979	61.0
145.10146	1.0
146.05440	0.8
150.07646	3.0
160.12035	0.9
163.06032	21.0
165.09155	1.2
187.14743	0.6
193.04979	0.8
223.06078	1.3
241.07216	2.8
259.08121	3.9
307.21222	1.4
438.30786	1.2
456.31787	2.6
456.36682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
54.06889	1.5
55.01859	4.3
56.96554	3.3
57.03424	7.7
59.62609	1.7
61.02906	7.9
68.58940	1.9
69.03435	27.4
70.06589	3.0
71.04970	4.5
71.53712	2.5
73.02918	11.6
80.16631	1.5
81.03394	7.3
81.07032	2.5
83.04944	1.8
84.04453	2.0
85.02914	74.0
86.69656	1.6
87.04456	2.1
91.03945	3.3
97.02383	2.3
97.02898	27.1
98.97575	9.0
99.04450	5.9
101.00878	8.1
103.00622	2.0
109.02889	8.1
111.04459	1.7
115.03927	3.0
116.98604	2.3
119.01923	10.1
121.01620	3.2
123.04366	1.9
127.03923	33.2
128.98615	1.7
131.01883	7.3
133.03448	3.2
136.07584	2.2
136.58424	1.8
137.05984	3.8
142.08606	3.7
143.01904	13.2
145.01645	4.8
145.03616	9.3
145.04948	22.7
147.01329	2.1
147.05052	4.7
153.01810	6.4
153.03958	2.1
155.01894	10.3
157.01659	2.0
157.03513	4.7
159.04916	1.9
161.02971	13.9
161.04283	1.9
161.04626	1.7
163.02663	3.3
163.06029	2.8
167.01855	1.8
167.07034	2.7
169.03456	4.6
171.05016	5.2
173.01781	1.6
173.02988	16.5
173.06598	3.2
175.02780	4.2
175.04498	3.1
183.04979	9.8
185.02934	8.8
185.06540	2.4
187.02782	2.3
187.04503	6.3
189.00780	2.4
189.06062	4.0
191.04001	2.2
192.05467	7.1
195.05003	2.4
197.02957	4.8
199.02693	2.4
201.00702	2.1
201.06120	8.6
203.04016	13.1
203.07599	3.0
205.03729	2.7
213.06180	2.3
215.03986	2.8
219.07071	3.5
221.03120	2.1
221.04994	9.3
221.06873	2.3
225.06010	2.7
227.03935	3.6
229.09282	2.6
231.07205	2.9
234.98961	2.3
237.02827	3.6
237.06230	1.7
243.07211	2.2
245.05096	22.8
246.05417	2.2
247.04796	8.0
248.06339	5.7
251.08279	2.3
255.06915	4.7
257.06778	6.1
263.06097	9.5
264.07794	11.3
265.05890	3.8
273.08176	16.5
273.58261	2.5
275.06100	6.1
276.00534	2.3
277.00317	4.4
277.03244	2.6
277.07925	3.2
281.06894	2.1
286.07184	2.2
291.06213	2.0
291.09293	21.7
295.16595	2.7
303.01242	3.2
304.01685	2.2
305.07242	4.3
305.10706	2.4
307.08868	2.5
309.10190	6.7
310.11661	3.4
321.10330	8.9
322.10828	1.7
323.10181	17.4
338.08810	2.9
339.09329	3.5
345.10010	1.9
365.09143	5.6
389.07703	2.0
413.08481	9.7
425.11356	4.8
433.95303	2.1
439.12674	5.8
457.07248	100.0
457.12979	29.5
458.07755	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01866	2.4
55.05500	2.2
57.03431	2.4
57.05029	0.6
57.07069	0.7
61.02919	1.0
63.28522	0.5
64.23631	0.5
67.05490	2.3
68.99782	1.2
69.03436	10.9
69.07061	1.9
69.58737	3.9
71.04988	2.2
73.02910	1.7
73.09536	0.5
77.79760	0.6
79.05479	2.3
81.03424	9.6
81.07063	4.1
83.04987	2.4
85.02431	1.1
85.02916	13.8
85.06532	1.2
87.00839	4.8
91.05489	4.3
93.07060	3.1
95.01327	1.1
95.04976	4.9
95.08615	3.8
97.02911	6.1
97.06524	0.8
98.97590	0.7
99.04469	4.8
99.08092	0.9
101.02410	0.7
105.01877	3.0
105.07041	16.4
107.04962	0.7
107.08610	7.6
107.87745	0.6
109.02888	7.1
109.06519	4.6
109.10165	3.5
117.01854	1.3
117.06995	0.9
119.08614	4.2
121.06509	1.7
121.10151	12.5
122.07293	1.2
123.08082	3.0
123.11706	2.7
125.09667	0.8
127.03924	10.1
131.08577	1.9
133.06523	1.6
133.10141	13.8
135.08046	2.2
135.11711	1.4
137.05972	0.9
137.09641	13.9
139.07677	0.8
141.01817	0.9
143.07045	0.6
143.08556	1.8
145.04977	2.9
145.10120	2.0
147.08070	0.9
147.11684	1.8
149.09618	6.2
149.13263	5.6
151.07651	1.0
151.11200	20.2
153.09145	0.8
154.05521	0.5
158.10959	0.7
159.02927	2.5
159.08073	1.1
161.09633	11.0
163.03937	0.8
163.11191	1.2
163.14723	0.9
165.09149	1.3
165.12773	25.4
167.10771	0.7
173.08191	0.9
173.09633	0.8
173.13289	2.2
179.10719	1.0
189.09105	3.8
189.16205	0.6
191.14299	7.4
193.15970	2.7
201.05609	0.5
207.10126	0.7
209.15384	100.0
210.15765	1.1
231.05116	1.3
253.14331	1.8
263.12814	1.6
266.12015	0.7
281.13882	3.3
319.67798	0.6
365.12936	1.0
457.24765	8.7
457.30676	1.0
457.32986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01868	3.2
55.05501	3.8
56.55501	1.1
57.03430	2.4
57.07055	1.6
67.05511	6.1
69.03432	15.0
69.07069	8.6
69.17677	1.2
70.06585	1.5
71.04995	7.0
71.27422	2.1
73.02951	1.5
74.42449	1.2
77.24207	1.1
79.05480	6.7
81.03420	6.5
81.07067	13.0
83.04987	10.7
83.08609	4.2
85.02907	14.1
85.06542	2.2
86.09619	1.3
87.00829	2.9
89.05631	1.3
91.05476	7.7
93.07053	10.6
95.04983	6.6
95.08616	24.9
97.02901	6.4
97.06528	7.1
98.97557	1.1
99.04453	3.1
99.08080	5.7
105.01891	2.3
105.07040	15.1
107.04958	2.3
107.08596	32.3
109.02882	6.0
109.06519	13.0
109.10156	20.3
111.04451	1.2
111.08108	2.7
115.05442	1.3
116.23987	1.6
117.06981	2.8
117.91588	1.2
118.82055	1.2
119.04966	2.2
119.08588	9.2
121.06525	3.0
121.10142	39.9
122.07259	1.8
123.08065	6.4
123.11704	5.2
125.09643	15.2
127.03908	8.2
128.98640	1.2
131.04990	1.1
131.08569	7.6
133.06548	1.8
133.10138	25.2
135.08055	18.9
135.11700	7.9
137.06007	1.6
137.09627	18.1
139.03900	6.0
139.11166	4.4
143.08578	1.3
143.24686	1.1
145.04987	1.8
145.10121	5.0
147.04404	2.6
147.08017	2.1
147.11725	9.4
149.09627	12.9
149.13272	18.2
151.07570	2.7
151.11189	81.8
153.09142	3.3
158.10887	2.2
159.02902	2.6
159.08041	2.0
159.11673	2.8
161.09587	4.9
163.03889	1.3
163.11174	3.4
163.14825	14.8
165.09116	3.8
165.12752	5.7
167.10750	1.9
171.11650	1.6
173.13277	17.7
175.11209	1.3
177.09032	1.4
185.13226	1.7
189.09088	2.3
189.12608	2.0
189.81956	1.3
191.06966	1.7
191.14313	89.5
193.05040	1.6
209.15369	100.0
231.04918	1.4
322.08847	1.4
439.31601	1.2
457.19116	9.9
457.24588	7.3
457.32672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.05515	4.5
56.96566	0.9
57.03429	0.6
57.07040	1.2
59.05007	3.5
60.20040	0.7
65.03921	0.8
67.05505	7.2
69.03404	1.0
69.07077	7.4
69.25441	6.2
70.90524	0.6
71.04993	1.3
72.08160	0.8
79.05105	0.7
79.05502	5.5
81.06579	1.2
81.07057	16.9
83.04951	1.2
83.08606	4.4
85.06532	1.8
91.05486	6.0
93.07043	14.3
95.04965	1.3
95.08607	20.2
97.06502	1.3
97.10155	1.8
98.20783	1.5
105.06393	1.2
105.07039	15.0
105.07757	0.6
107.08594	17.8
107.42891	0.8
108.19060	0.7
109.06531	3.6
109.10145	11.1
111.08041	1.3
111.11711	0.7
117.07008	3.0
117.07748	0.6
119.08582	16.3
119.09402	0.7
121.06557	1.1
121.10146	39.8
123.08074	5.4
123.11700	9.5
125.09623	1.4
129.06992	2.5
131.08578	9.4
133.06525	0.9
133.07523	0.8
133.10138	10.7
135.08032	2.6
135.11687	12.0
137.09567	1.5
137.13243	3.3
139.11179	2.4
141.06943	0.9
143.08554	4.6
145.10136	9.3
147.08086	1.1
147.11691	8.7
149.09604	1.3
149.13274	7.1
151.11168	1.3
153.12714	0.8
155.08553	2.3
157.10135	6.1
159.08008	1.0
159.11705	7.9
161.09602	1.9
161.13243	8.3
163.11177	2.4
163.14854	5.0
165.12732	1.8
167.08589	1.9
169.10172	3.5
171.11722	4.5
173.13252	12.4
175.11293	1.4
175.14836	6.6
177.12714	1.4
177.16357	2.3
179.14317	3.5
181.10071	1.1
183.11699	3.0
185.13257	4.7
187.11229	1.1
187.14839	7.2
189.12756	1.3
189.16393	5.8
191.14363	2.5
191.17949	1.5
193.15810	2.0
195.11749	1.5
195.13657	1.1
197.13237	2.1
197.15334	1.2
199.14856	4.9
201.12738	0.9
201.16431	3.8
203.14352	3.6
203.17966	2.0
205.15881	1.3
207.17464	2.2
209.13385	1.6
211.14813	2.1
213.16396	6.0
215.14240	1.2
215.17982	4.6
217.15874	1.0
223.14838	0.8
225.16377	2.8
227.17900	3.3
229.15855	1.5
229.19522	2.2
231.17378	2.6
235.16891	1.4
237.16386	6.0
237.18503	1.4
239.17883	1.7
241.19554	1.9
243.21095	2.0
249.18524	1.9
251.17960	2.3
253.19374	1.6
255.17387	2.2
255.21010	1.2
263.17914	1.5
265.19437	1.3
267.17535	1.0
267.21085	1.2
277.19617	1.4
279.21201	1.2
283.24191	1.0
285.22043	1.0
303.20496	1.0
333.25592	1.7
342.40710	0.9
363.30475	1.0
373.28793	2.4
375.30374	0.9
381.31808	0.8
385.28851	1.3
391.29776	4.3
393.31470	2.7
403.29694	1.9
403.34198	1.0
409.30896	15.0
411.32507	3.3
421.30679	5.9
421.35651	0.9
427.31995	2.3
439.31674	15.8
457.37381	100.0
458.37143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
57.07088	0.7
58.60073	0.5
62.15579	0.5
67.05508	3.4
69.03448	0.8
69.07069	3.6
69.47358	0.4
69.47678	4.0
79.05501	2.0
81.03426	0.6
81.07066	5.3
83.04953	0.7
83.08627	0.7
91.05492	3.4
93.07059	7.3
95.04967	0.9
95.08614	8.9
97.06491	0.9
97.10195	0.5
105.07040	10.7
107.07874	0.7
107.08608	11.7
109.06543	1.1
109.10159	4.9
111.08090	1.0
112.39181	0.5
117.07034	0.7
119.08593	12.0
121.06573	0.8
121.10142	5.3
123.08064	2.0
123.11729	3.5
125.09586	1.0
129.07014	1.4
131.08582	5.4
133.06514	0.7
133.10139	13.0
135.08066	1.5
135.11702	14.8
137.09660	1.7
141.07106	0.7
142.07684	0.8
143.08578	4.3
145.10147	5.6
147.08105	1.4
147.11681	9.4
149.09637	1.1
149.13278	3.7
151.07594	0.6
151.11192	1.7
155.08583	1.1
156.09375	2.5
157.10182	2.5
159.08084	2.1
159.11703	2.1
160.12552	0.5
161.09595	0.9
161.13286	3.3
163.14824	4.1
165.09126	1.1
165.12811	0.6
169.10176	0.9
170.10956	0.6
171.08116	0.6
171.11703	10.5
173.09650	1.8
173.13289	3.3
175.07602	0.6
175.11194	1.8
175.14851	1.9
177.12744	0.6
179.14484	0.5
183.11697	1.3
185.13260	1.3
185.31570	0.6
187.11110	1.3
187.14832	2.4
189.12793	4.0
189.16399	24.2
191.14331	1.0
191.17970	1.1
197.13252	1.4
199.11237	2.7
199.14867	1.0
201.12704	1.0
201.16531	0.8
202.09955	1.8
203.10950	0.5
203.14377	2.0
205.15868	0.9
207.17455	50.8
211.14760	0.6
213.12740	8.2
213.16206	0.6
213.31026	0.6
215.14278	1.5
215.17996	1.0
217.12262	100.0
218.12607	0.9
219.17305	0.6
227.14357	1.3
231.13826	8.5
233.15421	3.7
235.13217	2.6
235.16939	0.7
245.15315	1.1
249.14857	4.0
269.19058	0.6
297.22342	0.7
299.20309	0.8
313.64642	0.6
363.26917	0.6
383.25592	0.9
403.30048	1.1
421.30923	7.8
423.89120	0.6
428.05582	0.6
439.32101	33.5
440.32742	0.6
457.32797	10.1
479.33524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03927	1.2
55.05515	4.9
55.45367	0.7
56.11065	0.7
57.03422	1.6
57.07072	1.8
59.05009	0.8
65.03938	1.3
67.05511	9.9
69.03413	3.5
69.06761	0.8
69.07072	7.0
71.04990	1.8
73.02912	1.0
79.05499	6.3
81.03409	2.6
81.07064	14.1
83.04980	5.8
83.08611	3.5
85.02892	2.8
85.06528	1.3
86.03243	0.9
91.05473	7.4
92.79465	0.7
93.07051	15.6
95.04986	5.4
95.08612	36.9
97.02893	1.7
97.06539	3.7
97.10149	2.1
99.08083	1.1
105.07039	13.8
107.04959	1.4
107.08599	19.9
109.02871	0.8
109.06497	2.2
109.10161	12.8
111.08067	2.1
115.03909	1.0
117.07012	1.3
119.08583	18.2
121.06496	2.3
121.10144	13.8
123.08043	4.0
123.11710	7.0
125.09621	2.1
129.07011	1.9
131.08566	5.8
133.04965	1.1
133.06470	1.6
133.10136	16.4
135.08070	5.3
135.10693	1.2
135.11694	20.5
137.05954	2.3
137.09581	4.1
137.13234	2.9
139.11223	1.0
142.07809	1.4
143.08568	3.5
145.04922	1.0
145.10127	7.4
147.08038	3.1
147.11696	8.2
149.09633	4.9
149.13272	4.5
151.07556	1.3
151.11194	2.3
153.09167	1.9
153.12775	0.9
155.08514	1.0
156.09322	1.4
157.10118	4.3
157.36948	0.6
159.08031	1.5
159.11694	4.3
161.06007	0.9
161.09653	5.6
161.13309	5.1
163.07544	0.9
163.11171	2.2
163.14798	2.8
165.09114	9.8
165.12717	1.0
167.10652	1.0
167.30057	0.8
169.10162	2.5
171.11725	6.0
173.09636	2.2
173.13257	5.3
175.07610	1.1
175.11230	3.9
175.14830	8.9
177.09109	3.1
177.12724	1.4
177.16360	2.9
183.07849	0.8
183.11703	1.4
185.13257	2.7
187.11209	1.9
187.14746	3.7
189.09126	1.2
189.12758	4.4
189.16393	17.9
191.10634	1.8
191.14301	1.9
191.17949	2.6
193.15849	1.0
197.13312	1.4
199.11189	1.9
199.14815	2.2
201.12683	1.6
201.16360	1.1
203.10658	1.9
203.14322	8.7
203.17992	1.0
205.12212	1.4
205.15828	1.3
207.17467	21.0
211.11148	1.0
211.14905	1.2
213.12775	4.0
213.16325	1.8
215.14412	1.4
215.18033	1.7
217.12254	30.9
217.15553	4.7
217.19466	0.9
221.13242	0.9
225.12753	1.0
225.16296	1.6
227.14305	2.0
229.15791	1.2
229.19527	0.9
231.13852	7.0
231.17444	1.4
233.15352	1.8
235.16898	8.1
239.17957	1.2
241.15726	0.9
243.17474	1.4
245.15414	2.6
247.16945	0.8
249.14873	2.8
257.19061	1.1
267.17377	1.5
273.14856	0.8
281.18921	1.3
283.81580	0.7
285.18451	2.3
287.20181	1.4
299.20047	2.0
303.19614	1.9
317.24646	0.9
325.21686	1.1
327.23276	1.0
343.22726	1.5
345.24182	0.9
383.22018	0.9
393.31549	1.3
403.29767	2.5
411.32849	1.1
421.31036	11.4
424.10907	0.7
439.32040	23.6
457.33060	100.0
458.33377	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.3
57.07067	8.1
57.08992	2.9
59.04997	3.5
64.55000	2.7
65.03896	2.6
65.97613	2.3
67.05511	23.4
68.84880	2.8
69.03016	2.2
69.03437	3.6
69.07079	27.1
71.04995	4.6
71.53764	4.1
77.52682	2.5
79.05481	17.0
81.07060	65.0
83.08624	17.3
85.02898	3.2
85.06537	4.3
91.05470	20.7
93.07047	45.4
95.08615	80.3
95.58012	2.4
97.06493	3.9
97.10142	6.0
99.08086	4.2
105.06395	4.3
105.07043	53.7
107.08600	82.8
108.08892	4.7
109.06536	7.8
109.10168	53.6
109.73589	2.9
111.08082	9.4
111.11723	6.4
113.06010	3.1
117.07018	6.5
119.08591	69.6
120.08914	5.0
121.06414	3.3
121.09332	5.3
121.10157	75.1
123.08076	11.3
123.11708	30.4
125.05981	2.9
125.09574	2.9
127.07513	5.6
129.07022	3.6
131.08580	32.7
133.10150	48.4
135.08055	5.5
135.11700	38.2
137.09647	8.4
137.13258	13.0
143.08543	8.7
145.10150	50.0
146.10489	3.0
147.11684	39.9
149.09584	6.4
149.13268	24.2
150.13594	3.3
151.11211	5.1
151.14819	6.1
153.09074	9.9
153.12766	3.2
157.10147	14.0
159.11700	26.3
161.09677	4.1
161.13281	27.8
163.11206	5.1
163.14836	39.2
167.10683	4.8
169.10193	4.8
171.11699	9.8
172.12399	3.7
173.13277	24.9
175.14824	33.5
177.12654	2.8
177.16379	19.9
179.14351	3.7
181.12184	10.2
183.11687	2.9
185.13254	10.8
187.14836	100.0
189.12704	4.7
189.16405	47.8
190.16595	3.8
191.18019	12.7
195.13850	3.2
197.13190	3.2
199.14879	13.3
201.16408	54.2
202.16895	6.4
203.14304	3.4
203.18031	21.8
204.18365	3.5
205.15889	51.8
205.19493	5.8
207.17453	28.2
209.15393	4.6
211.14964	3.9
213.16298	12.7
215.14229	3.1
215.17870	14.4
217.15901	7.0
217.19467	3.9
219.14133	3.4
219.17422	12.6
221.15370	9.8
223.16975	8.2
227.17984	11.7
229.19545	15.2
231.17445	4.6
231.21051	4.7
233.15453	4.8
235.16966	8.9
237.18452	4.9
241.19595	6.3
243.21021	4.0
247.16922	9.3
249.18593	4.6
255.17746	3.0
255.21107	7.3
257.22354	3.3
269.12323	5.2
269.22610	5.8
275.20074	6.7
276.73331	3.2
302.07684	2.6
351.30325	8.5
358.87448	3.1
375.30313	3.8
393.31323	31.2
397.30878	11.2
409.34521	9.5
411.32513	68.6
421.30017	12.5
427.35776	35.6
439.31265	8.7
439.35507	24.3
457.32312	22.6
457.36636	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.2
57.07069	3.9
58.46435	3.3
59.04990	3.7
67.05513	24.2
69.07069	30.0
70.16420	3.1
71.52976	5.3
71.53349	3.5
79.05484	24.7
81.07059	59.0
83.04986	9.3
83.08618	12.0
85.02906	4.6
85.06578	4.0
87.74091	2.7
91.05480	15.5
93.07044	41.9
95.04972	4.2
95.08615	77.7
97.02879	4.2
97.06533	10.3
97.10198	5.1
102.61795	3.0
105.07034	44.3
107.08600	67.1
109.06514	4.5
109.10164	48.8
111.08070	9.8
111.11720	4.2
117.07033	6.2
119.08586	54.3
121.06503	12.3
121.10144	62.6
123.08080	11.8
123.11752	23.6
129.07043	6.1
129.97112	3.2
131.08551	17.0
133.10138	41.8
135.08075	4.9
135.11708	44.1
137.09602	7.2
137.13268	8.5
139.07520	3.8
139.11188	4.4
143.08557	6.4
145.10155	28.4
147.08104	4.1
147.11699	31.4
149.09637	10.4
149.13264	20.9
153.09222	4.0
156.09373	3.5
157.10132	14.4
159.08035	4.7
159.11661	24.7
161.09596	5.0
161.13271	25.4
163.11156	4.1
163.14803	18.2
169.10126	5.6
171.11688	11.4
173.09592	5.5
173.13315	22.3
175.11122	6.9
175.14801	22.9
177.16418	19.5
179.14224	4.0
181.10321	3.4
183.11781	3.8
185.13271	11.9
187.14911	19.7
189.12747	5.7
189.16380	35.2
191.14317	4.6
191.17958	11.2
199.14832	12.7
201.12813	3.9
201.16360	12.2
203.14352	6.4
203.17969	11.7
205.15894	9.8
205.19504	7.7
207.17393	17.2
211.14919	4.3
213.16422	6.2
215.14381	4.2
215.17908	7.6
217.12309	6.3
217.15909	10.0
217.19498	5.3
219.13916	3.5
219.17526	4.6
221.15315	4.2
225.16371	3.4
227.17979	4.4
229.07445	6.3
229.19421	4.0
231.13966	3.1
231.17528	4.8
233.15361	12.9
235.16934	9.4
239.18022	4.0
241.19626	5.9
243.21097	4.5
249.18544	9.7
255.21358	2.9
261.18430	5.3
271.12039	4.3
275.20120	4.7
289.21851	4.4
325.21365	4.7
373.27243	3.9
393.31378	6.0
409.34680	3.7
411.32513	9.2
421.30908	12.0
421.35269	5.3
439.31216	45.6
439.36734	10.4
457.32275	49.4
457.36847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03938	0.7
55.05506	3.3
57.03408	0.8
57.07036	1.0
67.05514	4.9
69.03383	0.6
69.07076	5.3
71.23824	0.9
71.24175	1.2
79.05502	3.7
81.07063	10.5
83.08586	2.6
91.05477	5.5
93.07048	8.9
95.04980	0.9
95.08611	30.0
97.10150	1.4
105.06393	1.1
105.07037	12.9
107.07870	1.1
107.08594	17.8
109.06525	1.5
109.10172	8.9
111.08074	1.6
111.11735	0.7
113.09690	0.6
117.07032	1.0
118.05558	0.5
119.08588	16.6
119.54132	0.5
121.06474	0.8
121.09335	0.9
121.10149	11.8
123.07195	1.2
123.08082	19.1
123.11694	3.3
125.09636	2.8
130.07805	0.8
131.08572	4.7
133.09132	0.7
133.10129	11.8
135.08040	4.7
135.11719	7.3
137.09584	1.4
137.13222	1.4
139.11226	1.0
143.08551	1.3
145.10124	16.7
147.11705	13.7
149.09612	2.0
149.13263	4.2
151.11249	0.9
156.17654	0.6
157.10094	1.5
159.11679	5.5
161.09500	0.7
161.13240	5.7
163.11182	1.0
163.14804	2.5
165.12709	0.8
171.11668	1.2
173.13268	5.3
175.14836	100.0
176.15179	1.0
177.12798	1.1
177.16389	15.8
185.13254	0.8
187.13190	0.8
187.14836	14.2
189.12686	1.2
189.16451	1.2
191.14418	0.6
191.17926	2.4
192.18037	0.6
199.14862	0.8
201.16394	8.7
203.17984	0.9
205.15891	15.3
205.19504	0.8
207.17513	1.3
217.15906	2.0
219.17458	41.8
223.16953	10.1
225.16280	0.6
229.19534	0.9
235.17050	1.1
235.20401	0.7
241.19504	0.8
243.21111	1.0
246.76175	0.6
255.21178	1.1
259.20563	1.0
269.12415	0.9
269.22638	0.8
273.22281	0.9
285.22110	2.1
287.23727	1.4
301.25299	0.8
316.12512	0.6
381.31604	2.0
409.34601	2.8
411.32446	0.9
421.35007	5.3
439.35928	22.1
457.36914	60.2
458.37384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Bacosine
Peak:m/z	Relative Intensity
50.75969	1.3
53.03938	1.5
54.79690	1.3
55.05519	8.3
57.07071	2.6
58.09657	1.1
59.04979	1.5
65.03957	1.5
67.05508	11.9
69.07071	16.8
69.57887	9.0
71.05009	1.9
71.08646	1.5
75.71815	1.2
79.05499	5.6
79.13816	1.3
80.75422	1.1
81.07065	27.8
83.08617	6.1
91.05485	6.5
93.07056	13.9
95.08614	46.1
97.10154	3.3
105.07049	15.8
107.08603	22.7
109.06561	1.8
109.10159	31.7
111.11719	4.2
114.92736	1.2
117.07008	3.2
119.08582	22.9
121.10161	17.2
123.08092	1.6
123.11707	13.8
131.08556	6.7
133.10133	16.9
135.11700	14.7
137.13255	13.2
139.07545	2.6
143.08543	3.5
145.10155	7.9
147.11705	14.9
149.09563	2.2
149.13240	10.1
151.11215	1.5
151.14789	2.5
153.09140	2.4
153.55116	1.6
157.10114	4.0
159.11671	9.7
161.09535	1.6
161.13254	8.3
163.14838	14.5
165.09097	2.7
171.11705	3.9
173.13330	6.3
175.11331	1.4
175.14850	28.9
177.12852	1.7
177.16408	5.8
179.10672	1.3
185.13292	4.1
187.14832	5.4
189.16417	9.7
191.17958	5.3
193.12312	2.1
193.15733	1.2
195.13686	1.3
197.13240	1.4
199.14883	4.4
201.16360	6.6
203.14407	1.8
203.17972	11.9
205.12155	1.4
205.19469	2.9
207.13857	1.5
207.44688	1.3
213.16403	2.3
215.17941	3.6
217.19543	3.7
221.15387	5.0
227.17963	2.4
229.19547	4.5
231.21017	2.9
235.16937	1.5
240.90259	1.2
241.19547	2.8
243.17432	2.1
243.21059	14.3
245.22720	2.3
247.17065	1.8
249.18506	2.4
255.21027	2.9
263.20099	5.7
269.22617	4.3
275.20078	3.8
281.22653	1.7
283.20499	1.2
289.21896	1.6
301.21765	2.9
303.23242	2.2
309.25751	5.3
312.24316	1.3
353.31842	1.4
393.35168	12.5
397.34607	1.7
399.32486	3.0
403.33533	2.1
411.36218	22.0
421.34631	13.2
427.35690	2.5
439.35751	100.0
440.36133	2.8
457.36810	35.3
457.44269	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Swinniol
Peak:m/z	Relative Intensity
51.40894	0.6
53.03919	0.8
53.15256	0.7
54.05911	0.6
54.06379	0.6
55.05476	3.0
55.05709	0.8
57.03416	1.2
57.07039	2.3
58.02620	0.7
59.04950	0.7
67.05510	7.8
69.07069	5.7
70.06578	0.7
71.04976	0.7
71.08579	1.2
76.87989	0.8
79.05505	4.8
81.07068	10.3
83.08572	3.0
85.06501	0.8
91.05447	3.2
93.07054	10.9
95.08617	43.1
97.10152	1.3
102.09127	1.0
105.07032	6.1
107.08601	23.0
109.06480	3.1
109.10168	12.7
111.08086	1.1
119.08598	7.5
121.10159	13.0
123.08083	55.0
123.11707	5.1
125.09668	6.5
131.08540	3.2
133.10135	6.3
135.08076	11.7
135.11696	7.4
137.09631	1.5
137.13208	2.4
145.10130	9.6
147.10504	0.9
147.11702	17.8
149.09630	5.6
149.13277	1.9
151.11177	1.1
153.09102	5.9
157.10074	0.9
159.10643	0.8
159.11719	8.1
161.13304	5.9
163.11171	2.2
163.14815	2.2
167.10677	2.8
173.13269	11.6
177.12781	0.9
177.16328	0.8
187.14786	2.5
191.17947	3.3
200.20071	1.6
201.14589	1.4
201.16415	22.3
201.20361	1.5
203.18094	0.9
205.15884	1.3
219.17459	100.0
220.17802	1.0
223.16943	7.9
247.16920	1.1
284.26740	2.5
301.25226	4.8
421.34619	1.4
439.35715	12.6
457.36850	61.1
457.44336	5.8
458.36890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.92268	1.8
53.03947	3.4
55.05508	5.7
64.17886	2.1
67.05512	15.6
69.07068	13.7
69.36528	8.6
69.36952	5.9
75.42714	1.7
79.05487	10.7
81.07059	37.2
83.08624	7.1
85.06583	1.8
89.68996	1.7
91.05476	8.1
93.07043	29.2
95.08611	70.0
97.10183	2.5
105.07041	19.8
107.08607	53.4
109.06481	2.4
109.09469	2.9
109.10165	39.9
117.07009	2.1
119.08588	32.9
121.10152	44.4
123.00845	1.8
123.08073	3.3
123.11727	16.1
125.05988	2.2
131.08598	3.5
133.10124	22.0
135.11687	22.3
137.13243	5.7
145.10135	8.9
147.11687	20.9
149.13254	25.3
157.10158	2.3
159.11673	6.0
161.13275	17.7
163.14833	50.5
173.13287	5.3
175.11282	2.5
175.14828	19.3
177.16400	22.7
179.14249	5.0
187.14873	11.2
189.16414	36.6
191.17953	31.5
193.15944	1.8
201.16385	11.4
203.17955	49.1
205.15916	2.6
205.19531	9.3
207.17471	5.2
215.14340	7.1
215.17993	3.7
217.16154	2.2
217.19496	11.2
219.17410	4.5
221.19060	6.4
229.19522	5.0
231.21095	14.0
233.15419	2.4
233.19035	3.6
235.16904	3.6
247.16873	2.9
249.18585	6.0
342.30179	2.2
343.18311	2.3
393.35281	11.2
411.36243	100.0
412.36337	2.4
421.34921	2.4
439.36075	28.9
457.32599	10.1
457.36835	13.4
459.78165	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	457.368
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.43509	1.5
55.05509	4.9
55.86964	1.7
57.07082	14.7
58.07412	2.4
59.76496	1.6
67.05492	9.9
69.07073	12.5
70.06603	11.4
70.11311	5.2
71.08628	7.9
72.09001	2.1
73.02905	1.8
79.05479	6.1
81.07060	17.3
83.08601	4.5
85.06525	1.6
85.10191	1.8
86.69110	1.5
88.07648	15.7
89.07962	3.0
91.05478	5.6
93.07067	14.0
94.98016	1.4
95.08607	29.2
97.10155	3.7
102.09192	9.8
103.09518	3.6
105.07047	12.8
107.08611	24.8
109.06504	2.5
109.10178	18.1
117.07061	2.2
119.08603	20.6
121.10148	17.8
123.08086	3.9
123.11719	10.6
131.08546	5.9
133.06490	1.7
133.10133	16.2
135.11700	17.5
137.13263	4.4
143.08524	3.5
145.10117	11.4
147.08061	2.7
147.11725	12.7
149.13255	5.8
153.12788	1.6
155.08606	1.7
157.10161	3.6
159.11681	11.0
161.13242	11.4
163.14844	5.2
165.12720	2.0
171.11687	6.5
173.13271	9.2
175.14825	7.4
176.99127	1.5
177.16371	4.8
179.14313	5.8
181.10089	2.1
185.13336	4.1
187.14795	8.7
189.16371	12.7
191.14319	3.1
191.17918	8.4
199.14827	4.8
200.20110	22.3
201.16353	5.4
201.20453	19.0
203.17995	3.5
205.15991	2.7
207.17453	5.9
211.14792	3.4
213.16289	2.9
215.17964	4.1
217.15915	13.1
217.19467	2.3
218.21179	2.8
219.17365	3.6
219.21442	2.4
227.18004	3.3
229.19528	5.5
231.17430	7.4
231.20972	2.1
235.16985	7.2
239.18010	4.0
241.19475	4.7
243.21217	3.6
245.19040	2.4
247.20763	1.6
249.18535	2.1
253.19495	3.3
255.21054	3.1
257.22720	1.8
259.20615	2.9
267.20953	3.8
269.22614	4.1
279.21094	3.6
283.26306	19.1
284.26727	30.1
285.22092	2.4
325.25470	2.1
335.27069	1.8
381.31406	4.1
393.35455	2.0
403.33633	16.7
409.34552	5.6
411.36145	5.7
421.34702	39.4
439.35922	31.9
457.36658	16.9
457.44421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
52.03834	1.2
53.03944	2.4
55.05513	10.8
57.07069	5.2
61.45441	1.1
65.03956	1.4
67.05512	17.4
68.03155	1.1
69.07075	37.8
71.05006	2.7
71.08628	1.6
71.40221	1.7
79.05498	12.2
79.41654	1.2
81.06582	2.4
81.07061	45.4
83.04984	1.3
83.08617	9.0
85.06547	2.9
91.05482	13.3
93.07053	28.5
95.04996	2.9
95.08612	63.3
97.06543	3.8
97.10175	6.8
99.08096	1.6
105.07040	31.1
107.04974	2.0
107.08601	45.9
107.09294	2.4
109.06549	3.5
109.10165	51.2
111.08099	2.1
111.11720	13.2
117.07061	3.5
119.08588	37.8
121.06511	11.4
121.10149	38.6
123.08105	2.9
123.11719	29.4
123.12572	2.0
125.13338	1.7
131.08586	12.3
133.10132	35.7
133.11079	2.3
135.08095	4.7
135.11707	27.8
137.09689	3.7
137.13266	8.2
139.11227	2.6
141.07014	1.4
142.07770	1.5
143.08600	6.7
145.10127	19.0
147.08073	4.3
147.11710	23.8
149.09677	4.8
149.13261	13.9
151.11278	2.3
151.14862	2.2
155.08553	2.0
156.09441	1.7
157.10194	8.9
159.11697	17.9
161.09682	3.7
161.13251	12.8
163.11273	3.5
163.14818	10.4
165.12723	2.4
169.10165	3.1
170.10947	1.9
171.11685	8.3
173.09673	3.3
173.13280	11.0
175.11189	3.3
175.14848	19.3
177.12775	2.7
177.16405	6.1
179.14388	4.3
179.18120	1.2
183.11761	4.6
185.13344	5.4
187.11148	1.9
187.14822	9.0
189.12810	4.8
189.16374	12.0
191.14426	1.9
191.17947	13.8
195.11713	2.9
197.13309	4.3
199.14864	6.1
201.12834	4.1
201.16339	6.1
201.20576	2.0
203.14407	5.0
203.17952	13.8
205.15977	4.0
205.19588	2.9
207.17526	2.9
209.13307	3.4
211.14944	4.2
213.16528	4.9
215.14400	2.2
215.18019	4.6
217.16003	2.2
217.19629	3.8
219.13881	1.6
219.17595	2.0
219.21077	10.3
223.14883	2.2
225.16386	2.6
227.18065	2.1
229.16025	2.7
229.19615	5.0
231.17439	5.8
231.21211	5.4
233.18979	2.6
237.16464	1.6
239.18060	1.6
241.19644	5.4
243.21111	5.9
245.19006	7.1
245.22816	1.6
249.18600	2.1
253.19768	1.7
255.17567	1.7
255.18472	1.6
255.21098	11.9
255.23172	1.2
257.19028	3.0
257.22714	3.8
259.01715	1.3
259.20551	7.5
265.19620	5.3
267.21213	3.3
269.19101	1.4
269.22772	4.9
271.20648	5.2
275.20062	1.7
278.08929	1.3
281.22729	3.8
283.20728	4.7
283.24243	4.0
285.22290	4.4
293.22827	2.2
295.24219	2.3
297.22278	3.0
297.25946	3.1
299.23914	3.8
311.23764	8.7
311.27103	1.8
313.25644	1.4
319.24347	1.9
323.23880	1.7
325.25421	4.6
329.24774	18.0
329.27972	1.7
337.25497	1.4
339.27017	2.8
343.26447	4.7
351.26889	1.9
355.26553	1.7
379.30173	2.6
393.35391	3.8
403.33530	11.6
411.36578	3.6
421.34662	61.5
422.34982	2.0
433.10410	1.5
439.35754	84.0
440.36075	1.9
457.36703	100.0
457.44354	4.1
458.37003	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.01876	0.3
55.05511	1.7
55.38684	0.3
56.95095	0.3
57.03444	0.5
57.07054	0.8
67.05499	3.1
68.89813	0.3
69.03423	0.5
69.07074	2.7
71.04971	0.3
71.24541	0.6
75.77377	0.3
79.05504	1.7
81.07063	6.4
83.04984	3.2
83.08616	1.2
85.06533	0.6
91.05489	2.3
93.07044	5.8
95.05022	1.4
95.08613	11.1
95.65556	0.3
97.06532	1.0
97.10146	1.4
105.06384	0.5
105.07043	6.0
105.07698	0.6
105.59375	0.3
107.07874	0.6
107.08598	10.1
109.06512	0.6
109.09461	0.6
109.10159	6.7
111.08089	0.9
117.07049	0.4
119.08584	7.4
119.09453	0.4
121.06552	0.6
121.10146	7.4
123.08053	1.1
123.11725	2.7
125.09633	1.0
129.07008	0.6
131.08568	1.8
133.10129	6.1
135.08067	0.8
135.11707	7.0
137.09624	0.5
137.13293	0.9
139.07530	0.6
139.11159	0.6
143.08574	1.2
145.10139	2.7
147.08058	1.0
147.11697	3.9
149.09627	2.7
149.13245	2.2
151.11261	0.4
153.12769	0.3
155.08572	0.4
157.10126	2.0
159.11673	1.8
160.12560	0.3
161.09631	2.2
161.13260	3.1
163.11172	0.6
163.14857	2.2
169.10083	0.5
171.11752	1.0
173.09744	0.4
173.13277	1.8
175.11171	1.6
175.14832	6.0
177.12886	0.4
177.16406	4.2
179.14409	0.5
183.11752	1.0
185.13275	1.7
187.14847	2.3
189.03342	0.4
189.12804	0.6
189.16403	5.1
191.14354	0.3
191.17984	2.0
193.15863	0.5
197.13274	0.6
199.14822	1.0
201.16382	2.0
203.14368	2.3
203.17963	6.3
207.17461	0.7
209.68536	0.3
211.14841	0.5
213.16400	1.6
213.45674	0.3
215.14363	0.4
215.17963	1.1
217.15894	1.5
219.17416	0.4
221.15462	0.3
221.19003	2.3
225.16534	0.5
227.18002	0.4
229.15897	0.6
229.19521	0.5
231.17427	2.0
235.16936	2.0
239.17787	0.3
241.19719	0.8
245.19038	1.0
249.18541	2.2
255.21169	0.4
257.22684	0.4
259.20639	0.8
261.18616	0.3
267.21158	0.9
273.22165	0.7
285.22104	1.6
303.23151	1.7
348.69550	0.3
377.30762	0.3
391.33066	0.3
421.34714	0.9
423.13879	0.5
427.35663	0.8
439.36035	4.0
457.36795	100.0
458.37207	2.5
465.34439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3694
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03950	0.4
55.01578	0.4
55.01854	0.5
55.05526	2.8
57.03443	0.6
57.07076	1.1
67.05513	4.8
69.07078	3.9
70.97520	0.9
71.05002	0.8
71.08624	0.4
79.05495	3.5
81.07060	11.1
83.04999	2.8
83.08621	2.3
85.06563	0.6
91.05478	3.8
92.84622	0.4
93.07053	10.7
95.04960	1.3
95.08615	19.6
96.08990	0.4
97.02871	0.5
97.06546	1.4
97.10158	1.0
105.07040	9.4
107.07875	0.8
107.08599	15.7
109.06503	1.0
109.10159	10.4
111.08076	1.2
111.11777	0.4
117.07029	1.4
119.08585	14.5
121.06528	1.2
121.10147	12.7
123.08076	1.6
123.11725	3.7
125.09621	2.4
129.06995	0.9
131.08597	2.9
133.10130	9.6
135.08092	2.1
135.11702	9.6
137.09625	1.1
137.13251	1.3
139.07562	0.7
139.11200	0.7
142.43248	0.4
143.08553	1.8
145.10141	4.8
147.08035	1.6
147.10646	0.7
147.11711	7.9
149.09610	3.5
149.13263	4.1
151.11212	0.9
153.09138	0.6
157.10150	3.2
159.08162	0.6
159.11700	3.1
161.09627	3.1
161.13275	4.2
163.11227	1.0
163.14825	4.0
165.12819	0.5
169.10156	0.9
171.11659	2.2
173.09659	0.5
173.13293	3.4
175.11189	1.8
175.14833	9.2
177.12807	0.6
177.16403	4.0
179.14417	0.8
183.11766	1.3
185.13229	2.3
187.11150	0.9
187.14827	3.5
189.12778	1.1
189.16403	10.2
191.14345	0.6
191.17950	2.0
193.15944	0.4
197.13333	0.7
199.11107	0.4
199.14857	2.3
201.12732	0.6
201.16389	1.7
203.14320	2.5
203.17966	4.6
205.15810	1.2
207.17557	1.3
211.14931	0.7
213.16362	1.9
215.14293	0.8
215.17943	1.0
217.15872	2.6
219.17595	0.7
221.19066	1.8
223.14699	0.5
225.16293	0.6
227.17957	1.3
229.15907	0.6
229.19527	0.6
231.17369	0.9
233.15356	1.0
233.19058	0.5
235.16982	3.8
239.17986	0.7
241.19563	1.0
243.17468	1.2
249.18539	1.2
253.19540	0.9
257.18982	0.4
257.22748	0.5
265.19714	0.5
271.12189	1.3
271.20792	0.5
272.12549	0.7
275.20129	0.5
285.22131	1.7
299.23654	0.6
303.23163	1.1
375.30673	0.9
393.31473	2.0
411.32596	1.3
421.30981	1.5
421.35437	0.8
439.31119	8.0
439.36591	2.6
457.37234	100.0
458.37695	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Swinniol
Peak:m/z	Relative Intensity
53.03961	2.2
53.09164	1.7
55.05516	10.8
57.07072	4.5
65.77227	1.7
67.05236	1.9
67.05513	22.5
69.03424	2.5
69.07069	27.5
71.05009	3.0
71.08632	2.0
75.81560	1.6
79.05498	15.2
81.03443	2.1
81.07063	40.7
83.08633	8.8
91.05485	17.7
93.06478	2.5
93.07047	36.7
95.04976	2.3
95.08613	80.3
95.47288	1.7
97.06553	9.6
97.10155	5.4
104.06200	1.7
105.04453	1.8
105.07031	39.5
106.07362	2.0
107.08600	57.7
109.06504	6.4
109.10162	71.1
111.08078	5.7
111.11697	2.0
117.06998	6.0
119.08588	58.3
121.06493	8.6
121.09317	3.7
121.10148	53.7
123.08086	6.4
123.11710	24.0
125.09622	2.2
129.06979	3.0
131.08571	17.3
133.10147	36.3
135.08069	10.1
135.11697	44.0
137.09595	3.7
137.13232	5.1
143.08540	7.6
145.10130	27.0
147.08086	9.8
147.11702	22.6
149.09610	5.9
149.12349	1.7
149.13275	16.9
151.11162	3.2
156.09277	2.4
157.10141	14.1
158.10921	3.1
159.11732	17.2
161.09593	6.6
161.13263	18.6
163.11223	4.0
163.14807	17.6
165.09163	3.6
165.12720	1.9
169.10086	2.0
171.11682	12.3
173.13251	11.3
175.11212	8.4
175.14815	25.1
177.12775	3.6
177.16359	8.4
179.14290	3.9
183.11723	3.4
184.12451	2.2
185.13261	5.3
187.14821	32.5
189.12721	5.1
189.16402	26.5
191.14323	5.7
191.17955	100.0
193.15877	4.8
199.14832	12.3
201.16371	23.5
203.14336	26.8
203.17953	24.2
205.15842	13.0
205.19514	5.7
207.17415	9.7
213.16364	15.8
215.14412	2.5
215.17998	12.9
217.15927	29.3
217.19377	11.6
219.17484	9.6
219.21130	4.2
227.17949	5.0
229.15839	3.6
231.17477	17.2
231.20880	2.9
233.15277	1.9
233.18967	3.0
235.16934	55.3
239.17914	2.1
241.19623	2.1
243.21109	2.2
245.18915	1.9
247.16887	4.9
249.16133	2.9
249.18527	37.0
259.20728	1.7
261.66263	1.7
275.15533	1.8
283.24020	2.0
285.22278	2.1
317.24573	2.3
361.29007	1.8
391.33551	3.4
403.33566	4.2
409.34543	13.7
411.36252	2.4
421.34735	17.4
427.35675	35.7
439.35861	63.8
440.36102	2.3
457.26419	2.3
457.37183	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	457.3678
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03942	0.5
55.05518	1.8
56.19653	0.3
57.03444	0.4
57.07080	1.4
59.05003	2.3
67.05513	3.4
69.07071	4.2
70.12190	1.0
71.04987	0.4
73.02906	0.3
76.96941	0.3
79.05503	2.7
81.03391	0.3
81.07062	7.7
83.05035	0.4
83.08608	1.5
85.06564	1.0
91.05494	2.6
93.07050	7.1
95.04977	0.9
95.08611	10.0
97.06549	0.7
97.10136	0.6
99.08149	0.5
103.87106	0.2
103.97272	0.3
105.07034	5.6
107.04906	0.3
107.07868	0.5
107.08598	10.2
109.06527	3.2
109.10159	6.7
111.08083	0.8
111.11745	0.5
117.07023	1.1
118.99004	0.3
119.08588	8.4
121.06529	0.5
121.10147	8.7
121.23576	0.3
123.08062	1.3
123.11707	5.2
125.09680	0.3
129.07047	0.7
131.08574	2.5
133.10127	5.5
135.08060	0.7
135.11705	8.1
137.09639	0.7
137.13251	1.8
143.08600	1.6
145.10114	3.5
147.08078	0.3
147.11693	3.6
149.09621	0.8
149.13269	3.9
151.11197	0.6
155.08482	0.3
157.10144	2.6
159.11708	3.5
159.26976	0.3
161.09642	0.4
161.13264	3.4
163.11252	1.0
163.14833	2.4
165.09023	0.4
165.12721	0.4
167.88388	0.3
169.10210	0.8
170.10924	0.3
171.11736	2.0
173.09689	0.3
173.13268	3.3
174.14020	0.3
175.11226	0.5
175.14830	3.6
175.16238	0.3
177.12791	0.7
177.16417	0.9
179.14372	0.4
183.11713	0.9
185.13284	1.9
187.14810	2.8
189.12828	0.9
189.16377	2.6
191.14395	1.0
191.18005	0.7
195.90138	0.3
197.13293	1.1
199.14865	1.3
201.12909	0.4
201.16391	2.3
203.14418	0.9
203.17934	1.4
205.15927	0.7
207.17545	0.8
209.13396	0.4
211.14833	0.7
213.16472	1.2
215.17958	2.2
217.12390	0.4
217.15938	0.5
217.19588	0.4
219.17451	0.6
223.14987	0.4
225.16508	0.5
227.18015	1.3
229.19469	1.8
231.17545	1.2
235.17018	0.4
237.16470	0.4
239.18039	0.9
241.19582	1.1
243.21161	1.1
249.18610	1.2
251.17998	0.4
253.19579	0.6
255.21178	1.5
257.22681	0.6
259.20673	0.5
267.21063	0.5
269.22684	0.6
273.22314	0.4
274.22263	0.3
281.22653	0.5
283.24188	0.4
285.22290	0.4
299.23679	0.5
319.91003	0.3
363.30643	0.5
381.32016	0.4
393.35690	0.4
403.34009	0.4
411.32333	0.7
421.30347	0.5
421.34848	1.2
439.31696	1.2
439.36023	1.8
457.36893	100.0
458.37027	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	457.3678
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05515	3.7
55.05706	0.9
57.03411	0.9
57.07044	1.5
65.03928	0.9
67.05502	5.6
67.95152	0.6
69.07069	4.2
70.04256	2.1
70.04661	1.6
71.04991	0.9
73.88838	0.8
79.05495	4.4
81.07053	14.4
83.08595	1.4
85.06530	1.7
91.05476	5.0
93.07047	11.7
95.04929	1.0
95.08607	39.9
97.06491	1.3
97.10130	1.1
105.06416	0.8
105.07033	11.2
107.08593	24.4
109.06489	3.2
109.10157	10.2
111.08055	1.3
117.07001	1.2
119.08577	24.0
121.06477	1.4
121.09458	0.8
121.10152	9.1
123.08073	46.6
123.11685	4.2
124.43858	0.7
129.06950	0.8
131.08505	2.6
133.10132	31.0
135.08087	4.1
135.10704	1.4
135.11694	27.3
137.09589	2.1
137.13156	1.1
139.07558	1.7
143.08546	2.6
145.10135	5.6
147.08037	1.1
147.11681	14.8
149.09612	0.9
149.13272	4.8
151.11166	3.6
157.10130	4.1
159.11705	9.9
160.12515	0.8
161.09618	4.4
161.13261	5.0
163.11156	1.0
163.14828	7.9
165.12828	0.9
171.11642	1.6
173.13219	2.8
175.11183	1.2
175.14870	2.0
177.12656	0.9
183.11679	0.9
185.13228	0.9
187.14832	4.2
188.59398	0.8
189.16380	54.7
199.14781	5.9
201.16415	0.8
203.17892	0.8
205.15884	14.7
207.17442	100.0
213.16333	0.9
217.15851	6.3
231.17403	0.8
235.16925	91.9
245.19421	1.0
292.24747	0.9
310.92548	0.8
317.24948	1.2
421.35114	1.3
439.36017	7.6
457.36908	67.3
458.36984	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	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.05507	9.3
57.03433	1.7
57.07086	3.5
63.53505	1.6
67.05511	15.0
69.03426	2.3
69.07069	24.5
70.15118	1.7
71.04993	1.6
79.05489	10.5
81.07058	37.1
83.04982	2.9
83.08622	7.2
84.58797	1.4
86.80003	1.5
88.35744	1.5
91.05482	8.8
93.07049	25.5
95.04985	2.4
95.08610	71.3
97.06544	6.8
97.10176	4.3
98.21634	2.4
105.07033	28.0
105.07693	2.6
107.08595	43.2
109.06543	5.9
109.10159	45.3
110.91472	1.6
111.04488	1.9
111.08092	6.2
111.11749	5.6
114.43256	1.8
116.46988	1.7
117.07034	4.5
119.08580	41.9
121.06528	4.4
121.10149	35.5
123.08083	10.8
123.11710	18.5
127.11185	1.9
131.08585	9.0
133.10127	32.9
135.08061	5.2
135.11700	34.7
137.09610	4.7
137.13249	7.8
139.11156	1.7
143.08589	5.5
145.10129	14.1
147.08020	2.9
147.11699	22.0
149.09644	4.3
149.13269	11.7
151.11218	3.6
157.10132	8.9
159.11693	13.5
161.09633	5.7
161.13243	13.6
163.11215	6.6
163.14835	8.3
165.12759	2.4
169.10202	1.9
171.11726	5.8
173.09840	2.0
173.13246	12.7
175.11287	5.1
175.14838	25.3
177.12770	3.5
177.16434	7.3
179.14334	2.2
183.11823	2.4
185.13306	5.6
187.14868	12.2
189.12781	3.5
189.16385	20.6
191.14316	1.9
191.17957	16.3
193.15923	5.3
197.13324	3.3
199.14819	12.2
201.16380	13.7
203.14430	4.0
203.17960	25.5
205.15926	2.7
205.19521	1.9
207.17519	6.7
209.15474	2.0
211.14964	3.8
213.16376	11.7
215.18024	6.4
217.15880	14.1
217.19389	4.1
219.17421	18.8
221.18996	20.5
221.20723	1.8
223.14941	2.3
227.18069	3.9
229.19626	4.8
231.17438	36.2
231.19504	2.1
233.19019	1.9
235.16919	3.3
237.18747	1.8
239.18097	2.3
241.19601	3.2
243.21161	2.4
247.16754	2.5
247.20697	3.5
249.18619	5.4
253.19615	3.8
261.22296	5.3
267.21030	7.7
269.22736	2.8
281.22607	3.3
285.22293	5.8
287.20886	1.7
287.23792	7.3
289.21783	2.0
299.23679	3.8
329.24658	1.9
347.26178	2.2
380.17203	1.7
385.29990	1.5
392.80270	1.5
403.29282	1.8
403.33554	8.7
411.36426	2.6
421.34665	49.8
422.34793	2.0
439.35767	100.0
440.35898	2.4
457.36932	98.4
458.37643	2.4
483.52542	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	457.3682
Annotation	Swinniol
Peak:m/z	Relative Intensity
53.38153	0.9
55.05517	4.9
57.03445	1.3
57.07072	2.4
59.31612	1.1
60.17609	1.0
61.54321	0.8
66.92850	0.9
67.05515	10.2
68.71630	0.9
69.07076	9.3
70.93406	1.0
71.39156	1.5
79.05501	10.0
81.07066	19.8
83.04976	1.6
83.08644	5.6
85.06551	2.6
86.14745	0.9
91.05481	7.1
93.07053	19.2
95.04961	2.1
95.08617	50.1
97.06560	2.9
97.10161	1.9
101.70019	0.9
105.07043	20.9
107.08606	33.6
108.83161	1.0
109.06532	3.4
109.09464	1.9
109.10165	22.2
111.08077	4.2
111.85919	0.9
113.05923	1.0
117.07021	2.5
119.08588	23.8
121.10155	30.3
123.08082	47.1
123.11691	6.2
123.78074	1.1
125.09639	6.0
131.08578	9.7
133.10139	21.0
135.08067	8.9
135.11708	15.1
137.09628	3.8
137.13286	3.0
143.08530	3.4
145.09055	2.2
145.10141	29.0
147.11707	33.2
149.09628	8.2
149.13290	7.5
151.11249	1.8
157.10127	3.4
159.11702	12.4
161.09526	1.5
161.13264	11.6
163.11229	5.7
163.14822	7.3
165.12766	2.5
171.11696	2.9
173.09676	1.4
173.13269	14.4
175.11240	1.9
175.14841	28.6
177.12733	2.5
177.16397	8.4
183.11665	1.3
185.13274	2.3
187.14839	24.1
189.16405	7.4
191.14267	2.8
191.17967	4.8
193.15857	2.1
195.11612	1.2
197.13264	1.0
199.14835	2.2
200.50983	1.0
201.13020	1.1
201.16391	19.4
203.14389	3.9
203.17957	3.4
205.15907	39.7
207.17451	2.8
213.16391	2.1
215.17957	1.3
217.15829	2.9
219.17465	100.0
220.17836	2.3
220.78317	1.3
221.15462	1.3
223.16951	30.6
227.17917	1.3
229.19510	1.3
231.13907	1.6
231.17363	2.3
233.15442	2.5
235.17058	2.1
235.20465	1.0
250.52026	1.2
255.21085	1.3
259.20786	1.4
381.31387	3.0
409.34494	4.0
411.32553	3.0
421.34558	3.4
439.31259	5.1
439.35669	12.3
457.31631	4.2
457.37460	76.3
458.37030	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01868	4.4
55.05519	17.0
57.03442	4.1
57.07077	8.6
67.05514	36.9
69.03436	11.2
69.07069	35.0
69.54243	14.3
71.04993	7.2
73.02921	2.2
74.22380	2.3
79.05501	25.3
81.03466	3.6
81.06586	3.4
81.07064	57.5
83.04987	7.1
83.08625	12.7
85.02924	9.5
85.06554	4.9
90.39228	2.4
91.05495	24.4
93.07056	59.1
95.04985	10.1
95.08617	94.5
97.02918	6.4
97.06528	19.5
97.10173	10.1
99.04464	3.9
99.08105	6.2
105.07045	66.8
107.04953	4.1
107.07887	3.6
107.08611	72.7
109.02890	4.1
109.06525	7.6
109.10165	93.0
110.89644	2.2
111.08095	7.0
111.11737	3.6
113.09634	2.9
115.05515	2.8
116.03246	1.9
117.07033	7.8
119.08597	77.1
121.06516	13.9
121.10152	68.5
123.08096	15.9
123.11728	26.6
125.09687	8.0
127.03981	4.8
128.06320	2.2
129.07069	4.7
131.08586	29.4
133.06502	4.7
133.10144	59.4
134.32491	2.4
135.08098	13.2
135.11713	51.4
137.06000	3.5
137.09622	11.6
137.13286	7.4
139.07605	3.2
139.11189	5.1
142.07808	3.8
143.08609	11.1
145.06480	3.8
145.10139	36.8
147.08081	10.0
147.11705	33.3
149.09628	15.0
149.13280	27.2
151.07578	8.4
151.11235	6.4
153.01779	2.4
153.12747	2.2
155.08580	3.0
156.09285	3.7
157.10130	19.9
159.08101	5.0
159.11707	24.1
161.09647	16.6
161.13269	23.4
163.07532	3.7
163.11183	6.7
163.14819	25.9
165.09131	55.5
165.12744	2.9
167.07086	3.5
169.10147	4.2
171.07942	2.4
171.11708	15.9
173.09547	3.7
173.13304	22.4
175.11205	7.9
175.14857	30.0
177.09134	7.4
177.12805	6.2
177.16432	7.0
179.10718	3.2
179.14372	5.5
181.12196	2.9
183.11674	3.2
185.09703	2.5
185.13332	8.9
187.14833	39.9
189.12799	7.5
189.16405	36.3
191.07074	3.6
191.10632	3.2
191.14372	12.0
191.17973	100.0
193.15895	6.3
197.13394	4.9
199.14838	16.0
201.12764	3.2
201.16417	30.8
203.10838	3.8
203.14339	27.2
203.17982	26.8
205.12296	5.0
205.15919	17.6
205.19589	5.7
207.13902	3.6
207.17451	17.1
208.09682	5.1
209.15370	3.7
211.14824	3.7
213.16443	17.3
215.14333	4.0
215.18013	10.8
217.12260	4.4
217.15924	27.6
217.19499	8.7
219.13895	2.8
219.17503	8.7
221.15411	6.6
225.16399	3.9
227.17979	3.6
229.19580	2.5
231.17465	17.9
235.13324	3.2
235.16960	54.9
241.19630	3.8
243.21088	3.9
245.19211	3.2
247.17139	2.9
249.18532	35.4
251.18010	3.5
257.19211	2.9
259.20596	3.8
269.22589	3.7
277.21674	6.6
281.13736	2.6
391.33612	2.9
403.33893	4.6
409.34805	12.7
421.35138	17.0
427.35883	30.5
439.36060	58.5
457.25073	12.8
457.32294	11.4
457.36771	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20370	0.5
55.05479	2.3
57.03420	1.1
57.07063	1.4
67.05507	3.4
69.07068	3.2
69.56237	3.0
79.05498	3.4
81.07066	13.3
83.04981	0.6
83.08617	2.6
85.06531	1.3
91.05476	5.8
93.06499	0.6
93.07048	14.0
95.08614	24.6
97.06496	1.0
97.10138	1.7
105.07040	15.5
107.07891	1.0
107.08604	20.4
109.06496	1.6
109.09486	0.7
109.10166	10.8
111.08112	6.4
113.09607	0.7
117.06956	0.6
119.08591	27.8
121.06438	1.0
121.10153	7.6
123.08061	2.4
123.11709	4.8
129.06955	0.9
131.08580	3.3
133.10147	26.0
135.08018	1.6
135.11705	29.3
137.09644	2.6
137.13249	1.4
143.08542	2.3
145.10109	4.7
147.11708	19.4
149.09509	0.7
149.13266	5.1
151.11203	3.4
157.10133	2.6
159.11690	3.2
161.09601	1.2
161.13266	6.1
163.14853	8.3
165.09189	0.6
165.12743	0.9
169.10202	0.8
171.11736	1.3
173.13255	1.4
175.11281	0.9
175.14830	1.7
177.16368	2.3
185.13278	0.7
187.14862	7.7
189.16403	60.1
190.16724	1.0
191.17978	1.4
199.14827	3.7
201.16351	1.1
203.17947	2.0
205.15921	8.1
207.17456	100.0
208.17725	1.2
213.16338	1.0
215.17953	0.7
217.15936	6.3
231.17390	1.2
233.18848	0.6
235.16951	42.0
236.17291	0.6
384.54700	0.6
421.34811	1.7
439.36038	6.6
457.36874	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.01107	1.7
52.56037	1.4
53.03955	2.0
53.04569	1.5
55.05515	12.9
55.18813	1.6
57.07069	4.4
67.05225	1.6
67.05507	17.6
67.07834	1.6
69.07078	22.8
70.93148	4.2
79.05499	13.7
81.07059	39.5
82.27084	1.5
83.08619	7.5
85.06533	3.4
91.05479	9.0
93.07043	33.7
95.04966	2.1
95.08608	80.6
97.06538	3.6
97.10175	5.2
99.08105	1.8
99.68167	1.5
105.07024	22.4
107.08600	56.8
109.06504	2.1
109.10159	46.8
111.08074	4.0
111.11713	3.4
114.15756	1.7
117.07050	2.0
119.08578	36.7
121.10152	48.6
123.08060	3.8
123.11707	16.4
131.08571	6.1
133.10143	32.7
135.08081	2.6
135.11700	31.1
137.09579	2.0
137.13242	4.5
143.08566	3.0
145.10120	10.9
147.11691	24.4
149.09688	1.8
149.12172	2.9
149.13269	29.3
153.09079	3.8
157.10107	5.2
159.08003	1.9
159.11703	9.9
161.09628	5.4
161.13275	20.7
163.11166	3.4
163.14822	46.7
165.12724	1.8
167.10741	1.9
169.10123	1.9
173.13290	10.2
175.14825	19.4
177.12671	2.3
177.16402	19.4
179.14316	5.0
185.13219	4.1
187.14792	12.5
189.16394	36.0
191.14328	2.9
191.17947	31.3
193.15771	2.0
197.13243	2.0
199.14827	3.6
201.12778	2.7
201.16440	13.1
203.17955	50.5
205.19533	10.1
207.17436	6.1
215.14333	17.3
215.17957	4.9
217.15950	3.0
217.19446	11.9
219.13824	4.5
219.17386	4.7
221.19073	5.3
229.15964	2.3
229.19481	5.7
231.21037	9.9
233.15356	4.0
233.19014	4.4
235.16896	6.3
247.16917	3.4
249.18495	8.8
255.21045	1.8
257.22626	2.0
269.19147	2.2
275.20081	2.0
393.35086	7.1
411.36218	100.0
412.36694	1.7
421.30536	4.9
439.36295	30.5
457.33023	24.3
457.36823	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	458.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52617	0.5
56.96566	1.1
57.03434	0.6
57.92521	0.5
61.99967	0.7
62.77908	0.7
68.07869	0.6
69.03410	1.9
69.07064	0.9
70.06581	0.7
71.52929	0.7
73.02933	0.7
73.57188	0.6
79.05516	1.4
81.03424	1.1
85.02908	3.3
85.06561	0.9
91.05463	0.6
93.07047	1.9
97.02902	1.6
98.97586	2.2
102.77940	0.6
103.05478	6.0
107.04964	1.7
110.06068	0.7
113.06051	0.8
113.31332	0.6
116.98618	1.1
120.08115	100.0
121.08440	1.3
122.06039	0.8
127.03901	1.5
131.04953	3.2
131.07080	2.9
132.89714	0.6
136.07597	2.1
137.06093	1.1
137.07092	0.7
145.04976	1.0
149.05997	2.2
150.07744	0.9
164.07077	0.7
166.08652	58.5
219.01830	0.8
231.48257	0.6
237.02780	0.8
241.06482	1.0
259.07452	0.9
306.75122	0.6
337.09259	0.7
360.54376	0.6
381.10260	0.7
412.15854	0.7
458.13873	2.2
458.16415	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	458.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89542	2.3
54.75475	2.2
55.05494	6.2
57.07066	4.6
63.09802	2.6
67.05493	4.9
69.07076	12.5
71.04987	2.6
77.94895	2.9
79.05460	6.1
81.07062	19.7
83.08593	4.9
89.33339	2.4
91.05468	5.9
93.07051	13.8
95.08611	32.1
97.10155	3.6
105.07024	9.7
107.08602	21.4
109.06518	2.7
109.10153	17.2
111.08087	3.1
113.60934	2.4
119.08581	16.0
121.06516	2.4
121.10149	17.4
123.08065	25.6
123.11708	10.2
133.10173	13.3
135.08038	8.2
135.11690	11.2
137.13216	3.1
145.10098	6.8
147.08090	2.6
147.11659	13.3
149.09641	5.2
149.13263	5.4
157.10121	3.7
159.11690	6.6
161.09642	3.1
161.13261	16.1
171.11772	3.1
173.13287	11.1
175.11264	4.9
175.14774	4.7
177.12717	2.5
185.13258	3.3
187.14885	3.5
189.16362	3.4
191.18016	4.4
197.13162	3.0
199.14722	3.3
201.16331	11.8
215.17996	2.8
217.15987	3.2
219.17461	75.2
219.19614	4.1
227.17874	2.9
229.11844	2.8
229.19524	4.1
232.18205	7.5
250.19238	12.7
259.20694	3.6
299.23520	3.3
313.25110	3.6
339.26849	4.2
351.26859	6.1
365.28088	3.6
389.31876	3.2
407.33142	25.1
423.32520	5.3
425.34198	28.0
440.36127	7.7
443.35245	100.0
458.37344	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	459.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23829	0.3
57.03432	0.5
69.03412	0.8
69.46926	2.3
70.06585	0.7
71.04957	0.6
73.02881	0.5
74.06052	0.6
81.03407	0.4
83.04956	0.7
85.02879	1.6
91.05472	0.5
97.02888	1.4
98.97583	0.8
101.05994	0.4
102.05518	0.3
105.06998	0.5
107.03531	0.7
107.08567	0.5
109.02851	0.7
109.05119	0.4
119.08558	0.5
120.06559	1.2
123.04428	0.7
123.96589	0.4
126.57843	0.3
127.03909	0.8
134.04622	9.3
135.03098	0.6
135.08099	0.5
137.05937	0.7
139.03896	0.5
140.02721	0.4
144.62744	0.4
145.05008	0.6
149.99902	0.5
152.04628	0.4
152.05670	2.4
153.01814	1.1
160.02629	0.6
165.02313	7.8
167.02623	1.4
167.07109	0.5
174.67334	0.4
178.03586	0.8
182.04971	81.4
183.03363	0.7
193.00568	0.6
208.02895	100.0
219.01958	0.5
223.06293	0.4
240.03177	0.4
314.09244	1.0
327.08701	63.0
335.09543	0.8
340.07193	0.7
348.86218	0.4
459.18433	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	3.2
57.03437	3.0
61.02924	3.3
69.03433	11.7
70.27736	3.2
70.28113	3.1
71.04998	3.4
73.02913	4.9
77.78418	1.9
81.03431	3.1
85.02897	24.2
85.38509	1.9
86.03233	2.0
97.02884	11.0
98.97588	20.2
99.04469	2.0
101.00861	3.9
109.02897	6.1
110.97600	2.7
113.00851	2.5
115.03947	2.1
116.98662	4.1
118.01154	5.4
119.01913	10.6
119.04940	4.2
127.03924	9.5
128.98611	4.6
131.01884	6.6
131.76828	2.0
137.05984	33.1
142.01100	6.1
143.01894	19.7
145.01674	4.0
145.03465	7.3
145.04968	8.0
145.07594	3.6
147.04388	12.1
149.02850	2.8
153.01848	3.3
155.01898	8.2
156.02696	4.8
158.99672	7.8
160.02159	6.6
161.02940	23.1
163.02625	2.9
168.02725	4.1
170.99669	2.3
172.02130	2.8
173.02968	10.4
174.03711	2.4
177.00703	4.6
177.03966	4.0
178.01140	4.8
181.03413	5.7
185.02957	5.1
186.03767	4.8
195.05066	20.3
196.02162	9.3
197.02977	5.5
200.04501	2.6
203.04039	9.3
205.03439	4.8
213.06003	2.5
219.01761	9.0
219.05032	30.1
221.05058	13.0
222.03709	4.6
223.04561	6.3
226.03255	3.3
231.05052	6.5
233.06508	3.4
236.05319	5.0
236.08731	2.4
237.02829	8.1
237.06081	27.4
241.03735	3.4
244.04286	100.0
245.04843	4.4
246.03773	5.4
247.04535	7.5
249.06110	7.3
251.07869	3.0
259.04602	10.0
260.05261	2.1
261.03488	2.7
261.06104	16.5
262.05429	8.1
263.06100	3.7
264.04742	14.8
267.07080	2.0
272.06339	3.7
272.56619	2.7
277.03247	2.6
279.00278	3.7
279.03986	5.0
279.07178	15.8
281.57263	2.9
288.04816	3.1
291.07187	7.1
297.08243	6.9
300.04822	3.4
303.01352	3.2
307.06641	13.1
309.08310	8.1
320.07568	3.3
321.08008	16.6
323.09720	2.8
333.07870	2.6
336.06921	8.4
339.09250	2.7
348.06924	57.8
349.07620	2.6
351.09143	2.4
363.09201	34.2
366.07983	7.1
369.10052	2.7
381.10281	80.9
399.11368	93.2
417.12131	6.9
433.67877	2.5
459.13388	17.6
459.20001	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61378	0.4
53.03941	0.9
55.01862	1.1
55.05510	2.7
55.58080	0.3
57.03427	1.7
57.07075	1.0
61.02919	0.8
67.05509	4.4
69.03138	0.5
69.03435	5.2
69.07070	2.7
69.21935	1.7
69.22364	2.1
71.04992	1.6
73.02934	0.5
77.87631	0.4
79.05473	1.2
81.03419	3.5
81.07056	5.8
83.04987	2.2
83.08620	2.8
85.02911	10.3
85.06577	0.7
87.00836	3.2
91.05465	1.5
93.07043	3.2
95.04961	0.9
95.08607	10.2
97.02900	2.3
97.06517	1.1
97.10160	0.7
98.21513	0.9
99.04468	1.7
99.08139	0.6
105.01858	3.2
105.07076	2.4
107.08597	6.5
109.02883	2.7
109.06533	2.8
109.10164	18.1
111.07355	0.7
111.08088	9.4
117.07047	0.4
119.07792	0.8
119.08593	10.0
121.06578	0.5
121.10146	6.7
123.08082	8.9
123.11722	3.8
125.09621	2.1
127.03934	4.9
127.11239	0.4
133.10141	10.7
135.10689	0.8
135.11703	13.7
137.09627	21.8
137.13242	1.2
138.10426	2.8
139.11118	1.1
145.04984	1.7
145.10117	0.6
147.11655	1.5
149.09695	0.4
149.13268	4.3
151.11176	1.6
151.14825	2.9
153.01924	0.4
154.15166	0.4
155.88055	0.4
159.02904	0.5
159.11673	0.6
165.09129	1.4
165.12752	2.9
165.16351	1.7
167.07089	0.5
175.14845	19.1
193.15894	16.8
211.16945	100.0
212.17282	1.5
227.76743	0.4
231.04996	1.0
242.98967	0.4
280.84595	0.4
297.07629	2.9
328.27985	0.4
360.57126	0.4
408.05792	0.4
459.17764	0.6
467.45975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01860	3.0
55.05508	9.0
57.03429	2.0
57.07066	2.3
59.04995	2.3
64.75546	0.9
67.05505	14.9
69.03429	12.6
69.06790	1.0
69.07075	11.4
70.78774	1.7
70.79117	1.8
71.04653	1.0
71.04987	6.0
71.05313	0.9
72.34875	1.0
73.02923	1.7
79.05493	4.0
81.03442	7.1
81.07061	17.3
83.04993	10.0
83.08628	5.5
84.80969	0.9
85.02911	17.0
85.06536	3.4
87.00829	7.3
91.03950	1.1
91.05470	3.3
93.07053	12.7
95.04967	2.8
95.08613	36.0
97.02908	5.2
97.06528	1.4
97.10168	1.7
99.04436	4.9
99.08100	25.8
105.01863	3.8
105.07030	7.0
107.08601	20.5
109.02901	6.8
109.06535	7.3
109.10162	96.1
111.08070	1.5
113.09653	2.3
119.08586	38.9
121.10155	14.7
123.08085	10.0
123.11723	8.2
125.09641	3.2
127.03915	9.1
133.09135	1.0
133.10133	23.1
135.11696	100.0
137.08650	1.6
137.09627	18.2
139.11197	2.0
145.04933	4.6
147.11694	1.2
149.13261	6.2
151.11176	7.1
151.14799	10.3
153.12762	3.0
155.10687	6.2
159.02914	2.7
161.84500	1.0
165.09076	1.3
165.12791	1.1
165.16411	2.1
175.14838	41.2
175.80534	1.1
193.15889	71.7
211.16937	88.6
264.30237	1.1
451.90820	1.0
459.22083	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01878	4.7
55.05515	16.9
57.03443	3.3
57.07053	0.5
59.04983	0.8
65.03927	1.9
66.04697	0.6
67.05510	22.6
69.03429	3.2
69.07071	6.5
69.17329	3.0
69.17753	2.2
71.04984	2.0
79.05495	25.5
81.03421	52.5
81.06586	1.0
81.07059	20.5
83.04993	6.4
83.08622	13.1
85.06520	1.8
91.05486	28.3
93.06483	0.9
93.07050	15.3
95.04974	19.0
95.08605	9.4
97.02904	1.3
97.06530	2.9
97.10165	8.0
99.08081	1.1
103.05438	1.2
105.04490	0.6
105.07033	20.3
107.04958	12.0
107.08596	10.3
109.02829	0.6
109.06530	3.8
109.10152	4.9
111.04485	1.0
111.08080	4.5
113.05996	0.7
115.05465	3.0
116.06237	0.6
117.07030	6.6
119.04961	1.1
119.08582	13.3
121.06509	7.0
121.10146	5.8
123.04426	1.4
123.08066	3.2
123.11720	0.9
125.06033	0.7
125.09643	6.5
125.91099	0.6
128.06218	1.6
129.07019	12.2
131.04926	3.2
131.08572	10.8
133.06509	5.1
133.10135	9.4
135.08076	3.1
135.11682	2.2
137.09602	1.9
141.07001	2.5
142.07747	2.7
143.08577	4.9
144.05728	1.0
145.06494	13.2
145.10133	4.5
147.04427	1.5
147.08061	5.2
147.11690	8.7
149.06023	1.0
149.09627	4.7
149.13257	0.7
151.07565	1.0
151.11169	1.0
153.09145	1.8
153.12743	0.6
155.08583	4.4
155.14088	0.5
157.06532	1.9
157.10114	10.8
159.08032	3.0
159.11711	1.2
161.05969	2.2
161.09590	2.5
163.11240	2.6
165.09091	1.5
165.12738	1.6
167.08549	1.6
169.06451	1.1
169.10147	1.7
171.08018	3.5
171.11681	3.1
173.09616	1.8
173.13303	1.1
175.07564	0.9
175.11183	9.5
179.08548	0.7
181.10175	1.8
183.08025	0.7
183.11729	1.3
185.09651	2.0
185.13280	1.4
187.11215	1.1
187.14862	1.5
189.09134	0.5
189.11226	3.4
189.12732	1.2
193.12248	28.0
195.08121	0.8
195.11723	2.3
197.09592	1.0
197.13280	2.0
199.11198	2.0
199.14809	0.9
203.14342	0.7
205.12259	1.0
207.11557	0.8
209.13293	0.7
211.11288	1.3
211.13293	1.7
213.12776	2.2
215.14323	2.3
217.12260	0.9
219.11734	0.8
223.11137	0.7
223.13124	1.1
225.12781	1.0
227.14366	1.5
231.13820	1.1
233.15366	2.6
235.15103	0.6
237.12819	1.7
239.14485	0.8
241.12341	0.6
245.15373	0.8
248.54251	0.5
249.14821	3.4
251.14183	0.5
255.13815	3.3
257.15396	0.8
267.15948	1.2
269.15402	0.8
271.17053	1.0
273.14844	8.0
275.16656	0.8
281.15356	0.8
283.17056	0.7
287.16452	1.2
289.17682	0.6
303.20978	0.5
311.16495	0.9
321.22086	0.9
331.20755	1.1
339.23074	3.8
347.18646	0.8
349.21698	8.6
357.24274	3.0
367.22693	24.0
385.23730	22.6
403.24832	6.3
405.24210	1.2
423.25494	1.3
441.26291	4.1
459.27429	100.0
460.27460	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01871	5.5
55.05264	1.2
55.05515	16.6
57.03437	5.4
65.03951	1.1
67.05507	21.4
69.03423	2.9
69.07062	5.3
69.32637	1.3
69.33031	5.3
71.04990	2.1
77.19198	0.7
79.05493	24.0
81.03419	50.9
81.07054	18.8
83.04971	4.0
83.08618	15.8
85.06542	1.5
91.05482	21.2
93.03414	0.7
93.07050	12.3
95.04968	18.6
95.08612	9.3
97.02857	1.1
97.06538	3.3
97.10163	11.2
98.20717	0.8
98.92251	0.7
99.08140	0.9
105.07034	16.5
106.78785	0.7
107.04957	9.6
107.08602	10.3
109.06528	4.9
109.10143	6.2
111.04423	1.4
111.08077	5.7
114.56736	0.6
115.05439	2.3
117.07011	6.4
119.04918	1.7
119.08574	11.1
119.09370	1.0
121.06502	7.6
121.10150	5.4
123.04427	1.4
123.08083	4.1
123.11729	1.0
125.09624	6.8
128.06213	2.3
129.07005	10.8
130.63585	0.7
131.04910	5.5
131.08577	11.7
133.06493	6.5
133.10132	5.9
135.08089	3.8
135.11716	2.3
137.05975	1.1
137.09616	2.9
139.07565	0.6
141.07008	3.0
142.07806	1.9
143.08582	5.1
144.05692	1.3
145.06493	16.7
145.10121	4.4
147.04408	1.2
147.08043	5.9
147.11707	5.8
149.05995	1.1
149.09615	4.1
149.13249	0.8
151.07549	0.8
153.09102	2.7
153.12746	0.9
155.08585	2.6
157.06464	2.7
157.10149	7.1
159.08080	3.3
159.11699	1.9
161.05986	3.0
161.09630	2.1
161.13275	0.9
163.11185	1.7
165.06918	0.7
165.09052	3.2
165.12793	1.3
167.08575	1.6
169.06531	1.7
169.10106	2.4
171.08031	5.1
171.11693	2.5
173.09659	1.7
175.07538	0.7
175.11177	6.7
175.14786	1.2
181.06526	0.9
181.10080	1.2
183.08072	1.9
183.11603	1.7
185.09639	2.6
185.13286	1.7
187.11214	1.7
187.14809	1.1
189.11215	4.0
189.12738	1.4
193.12242	30.4
195.08081	1.5
195.11716	2.6
197.09636	1.1
197.13303	1.9
199.11275	1.9
201.12816	1.1
203.14290	0.9
205.12231	1.5
207.08234	0.6
209.09602	1.2
209.13269	1.0
211.11186	1.4
211.14905	1.1
213.12823	1.3
215.14351	2.6
217.12373	1.2
219.11731	0.9
219.13834	0.8
221.11555	1.0
222.10567	0.8
223.11189	0.9
225.12627	1.5
227.14320	1.5
231.13783	1.7
233.15439	1.7
237.12737	2.9
243.13911	1.2
247.13614	0.7
249.15001	3.3
251.14539	0.7
253.15848	1.1
255.13901	4.8
257.15341	1.3
259.13257	0.8
273.14868	14.0
273.17792	1.2
274.15347	0.7
283.16965	0.8
287.16522	1.6
321.22107	1.1
331.20425	0.9
339.23285	4.0
349.21613	11.1
357.24222	2.6
367.22675	28.0
368.22778	0.9
385.23734	25.0
403.24939	6.2
405.24307	1.9
415.24854	1.0
423.25406	1.9
441.26416	5.4
441.33182	1.3
459.27441	100.0
460.27524	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	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	14.3
57.07105	5.4
67.05525	13.8
69.07070	26.1
69.52400	6.7
69.52729	40.4
71.08648	7.1
79.05469	6.6
81.07054	48.0
81.56012	5.5
83.08614	9.5
90.75886	6.0
91.05484	6.5
93.07046	25.1
95.08604	66.2
97.10173	12.3
102.49522	6.1
105.07033	23.0
107.08595	41.3
109.10173	53.5
119.08607	33.7
120.08081	14.2
121.10168	25.8
123.11716	16.8
133.10150	25.5
135.11702	19.6
143.08542	7.5
145.10114	7.7
147.11688	34.5
149.13258	15.1
155.30206	6.5
161.13306	14.3
163.14799	10.2
175.14847	9.5
177.16403	10.3
189.16382	17.6
191.17969	13.1
203.17995	100.0
205.19640	9.3
217.19565	23.8
223.16869	10.5
263.20044	11.7
383.30099	6.1
441.37369	52.5
459.38968	13.1
478.84473	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	459.3832
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
52.50952	3.4
52.62839	3.4
55.05504	16.5
56.49296	3.7
56.85182	3.7
67.05492	16.7
69.07072	23.2
79.05482	8.2
81.07062	40.4
83.08617	11.6
91.05474	8.2
93.07044	34.3
93.68674	4.2
95.08603	69.7
96.64131	4.2
97.06532	4.5
97.10145	5.6
105.07024	22.8
107.08591	44.5
109.10154	52.6
111.11698	3.8
119.08600	29.6
121.10163	34.3
121.22218	3.5
123.11721	20.1
131.08549	4.2
133.10126	28.5
135.10809	3.4
135.11658	21.4
137.13255	7.0
145.10123	7.8
147.11691	30.3
149.13266	10.8
159.11688	10.2
161.13240	17.2
163.11171	6.8
163.14835	8.9
173.13271	8.2
175.14844	13.7
177.16386	4.5
181.12155	4.9
185.13097	4.8
189.16423	13.9
191.17975	12.0
201.16310	5.8
203.16042	5.0
203.17949	100.0
203.19766	7.9
205.19604	6.9
207.17690	5.4
215.17935	9.7
217.19543	14.9
219.17543	4.6
223.16974	4.7
229.19743	4.9
237.18494	12.8
258.18842	4.4
263.20169	8.2
285.25888	4.6
423.36133	4.7
433.48157	4.7
441.37396	62.3
459.38113	7.0
473.86481	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	459.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01879	1.7
55.05514	15.4
56.39677	1.5
57.07070	8.5
61.02959	2.3
65.03935	2.5
67.05511	19.8
69.03428	3.4
69.07075	30.5
71.04987	3.2
71.53974	1.9
79.05482	17.4
81.03418	10.3
81.07062	60.4
83.04996	3.6
83.08617	16.8
85.06559	3.2
91.05492	16.1
93.07043	45.7
95.04974	8.1
95.08609	100.0
97.06525	6.8
97.10174	4.9
105.07040	37.2
107.08598	67.9
109.06517	6.6
109.10161	58.4
111.08087	5.1
111.11723	5.8
117.07023	6.6
119.08584	55.8
121.06489	2.3
121.10149	57.9
122.10467	2.0
123.08060	5.6
123.11717	29.4
125.09579	3.7
129.06931	2.2
131.08583	12.7
133.10135	41.3
135.11696	53.9
137.09628	2.7
137.13258	12.9
139.11160	3.4
141.07037	1.9
143.08572	7.2
143.10628	2.1
145.10114	25.7
147.11691	34.8
149.09604	4.1
149.13268	34.5
151.11209	2.1
151.14662	2.1
157.10133	7.9
159.11688	28.5
161.09592	3.0
161.13260	31.1
163.11139	3.6
163.14853	28.4
164.99402	2.2
165.12784	3.9
169.03514	2.2
171.11708	6.3
173.13269	18.4
175.14816	28.5
177.16425	17.3
179.14330	8.1
184.12393	2.7
185.13275	6.2
187.14830	17.0
189.16379	33.6
191.14317	6.7
191.17963	39.5
193.15883	5.6
197.13225	2.4
199.14841	4.5
201.16397	17.8
203.17969	24.6
205.15868	3.0
205.19592	6.4
207.17453	23.9
213.16434	6.8
215.17964	24.3
217.16071	2.6
217.19511	14.2
219.17451	66.2
221.15398	4.3
221.19093	6.0
227.17953	5.2
229.19572	8.3
231.17458	2.6
231.21088	8.9
233.15446	2.5
233.19012	6.2
239.18082	2.5
241.19431	4.1
243.21069	16.1
245.22675	4.3
249.18472	4.7
251.20013	5.4
253.19440	3.4
255.21225	4.1
257.22659	6.7
263.20035	2.7
267.21198	2.0
269.22656	7.1
271.24240	4.5
283.24155	6.7
297.25873	3.2
301.25043	2.1
315.26895	3.2
393.35205	14.9
395.36792	2.6
397.30704	2.0
398.30685	2.0
405.35431	15.1
411.36285	60.2
413.33554	2.7
423.36447	35.3
441.37943	26.1
459.34415	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	459.3835
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.05524	15.2
57.07072	12.2
63.30285	2.9
67.05519	23.9
69.03448	2.8
69.07066	32.4
70.18448	10.2
79.05497	13.0
81.07060	59.8
83.08612	19.3
85.06546	6.4
90.49296	3.3
91.05484	9.8
93.07049	42.6
93.53314	3.0
94.07405	3.0
95.04983	2.9
95.08613	96.0
97.06552	3.9
97.10184	7.3
97.40275	2.6
98.20870	4.1
105.07027	25.5
107.08596	76.5
109.06541	4.8
109.10165	84.0
111.08088	5.6
111.11714	4.9
119.08589	34.1
121.10143	82.6
123.11702	37.6
131.08585	3.6
133.10124	33.3
134.09074	3.0
135.11705	51.4
135.55930	3.1
137.13266	15.4
145.10132	9.8
147.11688	20.1
149.09592	4.1
149.13258	32.5
151.14841	8.6
153.09105	8.7
157.10089	4.4
159.11708	11.3
161.13255	23.9
163.14839	52.8
165.16397	5.8
167.10706	7.8
171.11769	4.6
173.13272	4.6
175.11224	4.5
175.14856	16.2
177.16423	19.0
179.14355	4.4
181.12268	6.2
187.14838	10.6
187.31544	3.3
189.16393	25.5
191.14249	5.2
191.17949	66.8
195.13867	7.7
201.16394	13.0
203.17970	22.9
205.15877	4.6
205.19461	4.8
207.17520	7.7
215.17799	4.2
217.19576	21.9
219.17485	3.5
219.21135	10.8
221.18982	3.7
223.16965	7.9
231.21164	7.3
233.19061	8.6
235.16989	3.0
237.18486	4.0
243.21082	4.1
245.22655	8.1
249.18510	5.2
251.20047	4.3
261.22177	7.6
265.44769	2.8
269.70593	3.2
274.67111	3.5
317.24756	10.2
381.35077	4.5
385.30981	4.2
399.36276	7.0
405.34982	3.7
423.36264	27.6
441.37399	100.0
459.37842	14.3
466.48334	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	459.3837
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03938	2.9
55.05514	13.2
57.03421	2.6
57.07073	10.7
67.05504	24.4
68.59883	2.4
69.07069	31.3
70.23683	4.2
70.24081	5.2
71.04985	2.6
71.08627	3.6
75.04477	2.3
77.14578	2.3
78.25094	2.0
79.05497	20.1
81.07059	64.1
83.04992	4.2
83.08624	17.7
84.43491	2.3
85.06542	5.8
91.05478	13.7
93.07042	53.2
95.05007	3.7
95.08609	100.0
97.06561	5.1
97.10168	9.2
103.05439	2.5
105.07041	33.4
107.07870	4.6
107.08599	94.9
109.06510	7.5
109.10165	62.5
111.08076	7.2
111.11732	5.4
113.06007	2.6
114.20746	2.6
117.07004	4.3
119.08591	54.1
121.06554	2.2
121.10151	87.0
121.11044	4.2
123.08068	6.3
123.11710	38.8
125.09635	3.4
131.08582	13.7
133.10141	38.0
135.08080	4.8
135.11702	61.2
137.09627	4.4
137.13274	17.6
139.07492	2.8
143.08582	2.5
145.10167	16.3
147.11700	31.3
149.09628	7.0
149.13263	40.7
151.14828	9.1
153.09114	7.3
155.00572	2.3
157.10162	5.0
159.11700	16.1
161.13252	25.1
163.11139	6.8
163.14833	65.1
165.09068	3.2
165.12773	4.8
165.16547	3.5
167.10696	11.7
171.11670	5.2
173.13289	11.9
175.04411	2.4
175.11203	3.2
175.14847	23.8
177.12804	5.3
177.16367	24.0
179.14314	4.4
181.12268	7.4
187.14856	11.2
189.16356	25.2
190.16800	2.3
191.14304	5.3
191.17953	70.1
193.12160	3.2
193.15891	2.8
195.13708	4.8
199.14815	3.9
201.16403	11.0
203.14433	3.2
203.17966	23.8
205.15892	4.8
205.19568	10.1
207.17400	5.4
209.15404	4.4
213.16444	3.1
215.17955	8.2
217.19521	14.3
219.17558	5.3
219.21049	15.9
221.15392	3.5
221.19093	4.9
223.16978	5.5
229.19484	2.8
231.21094	8.9
233.18990	7.8
235.17078	4.5
237.18466	2.7
241.19569	2.9
245.22643	9.9
249.18471	5.1
251.20169	4.5
261.22250	4.8
277.21481	3.3
277.76712	2.5
305.24951	2.6
317.24673	2.8
331.26138	3.0
381.35376	4.8
385.31134	5.5
395.33218	3.1
399.36301	13.5
413.34149	5.7
423.36551	24.8
441.37762	73.3
459.33618	9.8
459.38400	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	459.3835
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03941	3.5
55.05514	12.9
57.03418	2.9
57.07062	10.4
65.03941	2.8
67.05510	22.9
69.03436	2.6
69.07071	28.2
70.05624	2.1
71.04972	2.2
71.08633	6.4
71.54668	2.6
79.05490	16.7
80.34055	2.1
81.06592	2.7
81.07063	49.5
83.04989	3.5
83.08614	12.8
85.06557	3.5
86.06868	2.4
91.05468	17.5
92.06224	2.3
93.07044	36.8
95.04977	4.1
95.08609	71.2
97.02906	2.7
97.06528	8.6
97.10152	7.4
103.05408	2.3
105.07037	44.5
106.07359	4.0
107.08598	56.4
109.06500	6.8
109.10158	50.0
111.08070	5.2
111.11649	3.5
117.07014	4.7
119.08590	46.4
121.06479	3.9
121.10141	41.6
123.08105	5.1
123.11736	24.8
125.09579	2.3
131.08615	13.1
133.06555	11.5
133.10132	35.6
134.07227	5.3
135.08081	23.8
135.10849	3.1
135.11723	46.1
136.08347	5.5
137.09608	4.9
137.13245	7.4
139.11272	2.4
143.08585	5.6
144.55273	2.3
145.10121	26.4
147.11687	33.7
149.09608	4.6
149.13260	27.0
151.07530	7.5
151.14772	3.7
157.10135	4.7
159.11658	18.2
161.13261	27.5
163.11137	5.7
163.14828	21.9
165.03795	2.9
165.09033	2.6
166.73091	2.4
167.03285	3.2
171.11613	5.0
173.13292	15.2
175.14824	16.8
177.12640	2.7
177.16374	10.3
179.05161	3.1
179.14317	2.6
185.13286	5.0
187.14804	8.5
189.16393	43.7
191.10648	6.8
191.17967	31.4
199.14822	3.0
201.16382	23.0
203.14214	3.9
203.17978	16.7
205.15910	8.6
205.19475	5.6
207.17476	44.7
213.16400	3.4
215.18015	14.0
215.89879	2.5
217.15799	3.5
217.19510	7.5
219.17455	76.1
229.19531	7.4
233.18967	7.7
243.21112	5.5
245.18930	2.9
255.20961	3.8
257.22617	3.6
261.21976	3.0
269.22632	8.9
277.16132	3.2
279.15878	4.0
283.24127	3.4
295.17426	11.9
295.20084	2.7
296.17596	5.6
297.16916	12.1
395.33258	3.6
411.36191	3.7
423.36819	20.4
441.37595	100.0
459.28497	2.6
459.38742	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01883	0.5
56.05023	0.4
56.96559	0.5
57.03425	1.2
59.04988	0.5
65.03933	0.6
69.03427	1.6
69.07099	0.3
69.19181	3.7
70.94323	0.4
71.04998	5.0
71.08642	0.5
71.86034	0.3
72.08165	1.9
73.02895	0.7
73.06544	1.3
74.06083	6.6
79.05490	0.8
81.03391	0.9
83.04963	0.9
84.04504	0.7
85.02907	9.2
86.06050	1.3
86.09721	1.2
88.07618	1.7
88.11285	3.0
90.38057	0.4
91.05481	9.2
97.02866	2.0
98.06059	0.8
98.97593	1.1
106.02893	0.5
106.04180	0.6
106.06569	9.6
109.02901	0.6
109.06531	1.7
109.38129	0.4
111.04435	0.8
115.03931	0.4
116.04986	1.6
116.07100	3.1
119.06044	1.1
120.06593	1.1
124.03942	0.6
124.05244	0.5
127.03928	1.2
129.05489	1.5
130.04980	0.4
134.06023	100.0
135.06322	0.8
136.07599	0.5
137.02455	0.4
137.05942	0.8
138.09140	0.8
144.06577	3.0
145.04930	0.7
147.06554	0.6
149.11763	1.0
152.07076	19.0
153.01854	1.9
161.05914	0.6
162.07614	0.8
164.07097	0.8
166.08621	0.4
167.07101	0.5
180.06596	1.0
182.05026	0.7
182.12904	0.6
193.08553	0.4
197.17679	0.4
201.22714	0.4
208.02979	0.4
229.93552	0.4
260.07950	0.4
270.09763	1.1
280.11789	0.9
284.11334	0.7
288.10608	0.8
298.12924	0.9
306.11765	0.5
314.12344	2.6
352.22568	0.4
460.18378	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
54.70189	1.3
55.01871	10.9
55.32516	1.5
57.03433	15.3
59.05006	1.3
61.02932	7.6
67.05508	2.6
69.03432	26.2
70.51470	4.5
70.57581	1.2
71.01385	2.6
71.04996	1.5
71.47026	1.4
72.08144	5.3
73.02918	28.6
73.18038	1.3
74.09717	2.9
79.05500	1.5
81.03420	3.2
81.07061	1.3
84.29890	1.3
85.02906	47.4
87.04460	3.5
91.03944	3.2
91.05472	2.1
93.07041	2.0
95.04996	2.6
97.02290	2.8
97.02894	40.1
98.20863	1.8
98.97567	1.3
99.04462	2.5
99.08098	1.7
100.03951	1.6
103.03970	1.8
103.05462	14.7
105.06979	1.4
107.08670	1.5
109.02887	3.4
115.03932	18.2
119.04909	1.8
127.03929	14.2
131.04930	96.2
133.04970	27.7
137.06013	2.0
144.06555	2.2
145.04964	19.5
147.04427	8.7
149.05983	100.0
163.06009	6.3
168.10226	3.2
173.50450	1.4
177.05490	1.5
190.08644	1.5
199.06125	1.5
223.05951	1.5
241.07077	4.4
259.08121	4.0
276.48004	1.3
293.10178	1.7
301.11722	2.3
319.13010	2.2
390.92722	1.3
413.51709	1.6
460.21585	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
60.48669	0.4
65.03932	0.7
69.03412	0.5
69.30463	3.7
71.04128	0.4
71.05003	5.2
74.06081	0.9
74.09718	0.6
79.05529	0.5
83.05000	1.0
85.02435	0.5
85.02910	7.6
91.05483	9.0
97.02886	0.5
106.04185	0.8
106.06563	9.4
109.06501	1.9
111.04414	0.6
116.04991	1.5
119.06060	1.5
129.05495	2.4
130.05026	0.6
134.06021	100.0
135.06377	0.8
145.05014	0.5
147.06519	0.7
152.07068	22.0
184.78444	0.4
243.85008	0.4
314.12350	2.6
368.63531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.6
55.01874	7.5
55.05517	2.7
57.03442	4.6
61.02923	4.0
64.57057	0.8
67.05506	2.7
68.35004	0.8
68.99799	2.3
69.03085	1.5
69.03436	25.7
69.07038	1.0
70.06587	1.8
71.04988	4.8
71.53687	0.9
73.02927	6.3
75.24231	0.7
79.05489	3.9
81.03431	23.6
81.07067	4.0
82.03750	1.1
83.04998	1.2
85.02915	65.7
86.09740	0.8
87.00841	22.6
87.04470	1.0
91.03953	1.1
91.05479	3.4
92.41248	0.8
93.07040	2.7
95.04984	2.8
95.08601	2.7
97.02902	23.6
97.06535	1.3
98.06078	1.1
99.04474	11.9
100.18751	0.8
103.03958	0.8
103.05492	1.6
105.01881	23.2
105.07041	5.5
107.04967	28.6
107.08595	3.7
108.04494	7.2
109.02899	24.7
109.06574	1.1
109.10172	2.8
115.03994	1.0
115.05466	2.0
117.01871	2.5
117.07066	0.9
119.08609	2.9
119.91849	0.9
121.10154	1.4
123.11662	1.7
125.06049	1.0
126.05525	3.6
127.03936	45.5
129.01860	3.7
129.06979	1.3
131.08624	1.0
131.81142	0.9
133.10172	1.9
134.10493	1.1
135.08070	10.0
135.11678	1.4
137.05981	1.3
137.09596	2.8
138.10007	1.0
145.04968	24.1
145.07567	1.3
145.10115	1.9
147.02846	2.3
147.11679	1.0
159.02908	14.4
163.07558	33.4
165.09135	19.5
166.09494	7.4
167.07040	11.8
177.03915	1.0
180.07880	2.8
187.07596	2.2
189.03969	2.1
191.17938	1.0
194.12621	1.1
195.10193	100.0
205.08748	1.6
207.10252	4.0
212.05457	1.1
213.03891	1.4
219.10217	1.9
230.06621	2.3
231.04990	10.5
248.07672	6.5
249.06146	1.1
266.08716	1.4
285.11096	2.4
303.12305	3.0
386.24420	1.1
427.33960	0.9
460.28467	4.3
463.65625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10341	0.6
53.03751	0.6
53.03949	7.0
55.01875	8.0
55.05506	1.1
56.65586	0.6
57.03241	0.5
57.03432	5.5
59.18952	0.7
60.04526	1.3
61.02920	5.2
67.05503	0.9
68.79058	0.6
68.99783	2.4
69.03432	25.3
69.48624	2.2
69.49029	1.9
71.01383	0.8
71.04995	4.9
73.02923	6.6
79.05476	1.1
80.94607	0.6
81.03418	26.9
81.07059	0.9
84.04497	0.9
85.02906	70.5
87.00831	27.9
87.04469	1.0
91.03951	1.9
91.05475	0.7
97.02894	26.6
98.06055	0.8
99.04453	12.1
101.02410	0.7
103.05463	4.9
105.01868	26.8
105.07011	1.9
107.04950	7.2
107.84326	0.6
108.04485	9.6
109.02881	29.9
111.04465	0.6
115.03922	1.0
117.01865	3.0
117.07066	0.7
120.04454	1.1
121.06496	1.1
126.05512	3.8
127.03918	53.3
129.01808	2.9
130.58316	0.5
131.04907	1.1
131.08562	0.7
135.08067	6.0
137.05920	0.6
139.03914	2.9
145.04959	25.7
147.02832	1.6
149.13208	0.7
154.06250	24.7
159.02884	16.5
163.07550	23.9
165.09070	1.2
166.66554	0.6
167.07039	1.2
180.07773	1.1
189.03894	1.2
193.08560	1.0
195.10173	100.0
207.10211	0.9
212.05478	0.9
213.03976	2.9
219.10240	0.6
230.06628	2.4
231.05000	13.2
248.07695	6.9
249.06047	1.4
266.08722	2.6
287.61737	0.6
303.12323	2.3
376.42151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66458	0.4
53.03932	1.4
55.01883	1.1
55.05270	0.6
55.05510	7.4
56.05039	5.1
57.03419	1.2
57.07061	2.1
58.02949	1.8
60.04510	1.5
61.02919	1.7
64.12947	0.4
65.03938	0.9
65.52267	0.6
67.05505	13.5
68.05016	2.2
68.05847	0.5
69.03432	4.1
69.07066	7.3
71.04998	0.9
71.08615	1.0
71.53753	0.7
72.04513	0.7
73.02934	0.8
74.06070	0.7
75.31476	0.5
79.05061	0.8
79.05491	10.3
79.31989	0.5
80.05014	2.6
81.03432	3.5
81.07054	13.1
82.06582	6.0
83.04984	1.5
83.08611	5.1
84.08124	0.5
85.02905	9.1
86.06067	1.9
91.05479	7.4
93.05784	0.7
93.07043	8.5
94.06567	6.3
94.07162	0.6
94.07380	0.4
94.38000	0.5
95.04947	1.8
95.05511	0.6
95.07341	0.8
95.08608	12.0
96.08118	4.5
97.02891	4.2
97.06515	1.2
97.10181	2.8
97.65536	0.5
98.06030	1.2
100.07609	1.0
105.07035	4.0
106.07358	0.6
107.04929	0.8
107.08599	3.6
108.08102	1.5
109.02867	1.3
109.10159	4.3
112.07625	0.9
113.96386	0.4
117.07026	1.0
119.08585	3.3
120.08084	0.6
121.10143	3.9
122.09628	0.6
123.11674	0.8
127.03909	1.6
129.07021	0.5
131.08568	1.3
133.10130	2.9
135.07980	0.6
135.11684	2.0
140.10628	0.5
145.04935	1.0
147.11728	1.6
149.13232	1.3
159.11778	0.5
161.13286	0.7
163.14764	0.4
165.09146	0.5
245.22577	0.7
250.25287	4.9
260.23712	1.1
262.25296	31.0
264.26932	3.5
280.26346	100.0
281.26740	0.7
298.27429	5.3
368.22974	0.8
386.24026	0.7
394.29462	0.7
412.30466	2.0
424.30536	1.7
442.31677	12.1
443.27640	0.8
460.27509	1.3
460.32880	8.4
461.28824	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	460.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55082	13.3
51.83651	13.2
55.01651	13.7
67.05499	38.7
69.07056	44.7
71.33494	18.9
72.18886	14.1
73.06520	12.6
79.05502	25.3
81.07048	77.1
83.08625	18.2
91.05447	19.0
93.07050	68.8
95.08617	100.0
105.07030	28.5
107.08585	57.9
109.10179	66.7
119.08585	63.5
120.74139	13.0
121.10146	39.6
123.11715	39.8
133.10135	31.8
135.11690	55.9
137.59465	12.9
145.10089	17.0
147.11710	20.8
149.13266	29.9
161.13289	24.7
175.14824	18.5
187.14786	16.7
321.22684	14.7
460.22571	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.05516	21.9
57.07087	8.3
64.35555	3.8
67.05508	47.9
69.07069	42.9
69.50930	29.9
71.04991	8.2
75.81857	3.9
79.05499	38.1
81.07062	100.0
83.08617	14.8
91.05076	4.0
91.05500	44.2
91.38033	5.3
93.07052	69.6
94.10862	4.5
95.08614	99.8
97.06554	7.8
97.10169	10.0
105.07040	37.2
107.08610	88.2
109.10167	63.2
111.11702	6.5
119.08584	49.5
121.10152	59.6
123.08064	5.8
123.11687	22.0
127.11189	4.7
133.10146	29.7
135.10809	7.1
135.11705	62.8
137.13245	12.0
138.72496	4.5
145.10136	13.3
147.11684	20.0
149.13277	25.2
153.12759	7.5
155.08736	5.1
159.11682	5.9
161.13225	18.7
163.14815	12.0
166.63467	4.3
173.13206	5.2
175.14825	14.0
177.16370	6.1
186.79108	5.1
189.16377	14.2
191.17946	23.6
203.18027	8.5
217.19601	6.7
220.23730	4.2
229.19431	5.3
363.43481	4.6
364.64740	4.3
460.23285	6.0
461.80115	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	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01867	2.6
55.05515	6.6
57.03442	1.3
57.07078	2.0
67.05520	4.7
69.03440	5.2
69.07067	14.2
69.56625	5.3
70.45724	0.9
71.04995	2.9
79.05498	4.4
81.03440	2.7
81.07057	12.6
83.08606	6.2
85.02911	10.6
85.06542	3.1
87.00832	4.6
88.11253	1.6
91.05497	4.4
93.07049	10.2
95.08610	23.9
97.02896	3.3
97.10176	4.0
99.04458	1.4
99.08100	19.8
105.01877	6.5
105.07034	3.4
107.08595	29.0
109.02888	3.3
109.10152	8.5
109.84379	0.9
111.08072	6.2
113.09673	1.4
119.08558	1.4
121.10145	47.7
122.10513	1.1
123.11726	1.4
125.09622	5.6
127.03912	6.4
133.10065	2.0
135.11694	9.4
137.13284	6.1
139.11153	1.5
145.04935	3.5
149.13274	2.4
177.16391	100.0
178.16760	1.2
195.15967	0.6
195.17458	20.3
213.18504	40.6
231.04996	1.6
422.11240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2903
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03947	4.4
55.01871	6.2
55.05515	17.8
57.03429	4.2
57.07069	1.2
60.40416	1.1
64.15527	1.1
65.03942	3.0
67.05511	46.7
69.03429	2.9
69.07080	10.3
71.04991	2.3
73.02897	1.4
79.05499	35.7
81.03429	39.7
81.07067	43.7
83.05002	6.3
83.08627	18.3
85.02953	1.6
85.06544	3.8
91.05492	32.4
93.07053	34.4
95.04979	26.5
95.08611	17.7
97.02914	1.8
97.06538	4.5
97.10181	6.9
99.08120	1.5
102.23129	1.2
103.05458	1.9
105.04527	1.4
105.07040	21.8
107.04942	10.9
107.08599	18.3
109.06555	4.3
109.10152	8.2
111.08115	4.6
115.05477	3.4
117.07027	13.9
119.08600	14.7
121.06526	10.7
121.10156	11.5
123.08096	3.7
123.11716	1.5
125.09652	5.4
128.06247	3.5
129.07011	11.8
131.04962	2.4
131.08580	19.4
133.06496	5.3
133.10144	12.8
135.08057	4.0
135.11713	5.8
137.09630	2.3
139.11200	1.8
141.06992	3.1
142.07848	1.9
143.08508	6.8
145.06505	10.1
145.10172	6.8
147.08061	5.3
147.11703	5.4
148.50168	1.3
149.09627	7.3
149.13295	15.2
151.11162	1.4
155.08577	4.0
157.10188	8.0
159.08040	4.1
159.11713	8.9
161.09665	2.7
161.13345	1.6
163.11246	3.5
165.09128	1.5
167.08582	2.0
169.10112	4.0
171.08128	1.8
171.11684	3.3
175.11200	5.8
177.12794	4.7
183.11781	4.2
185.13161	1.9
189.11232	3.2
189.16478	1.4
193.12250	11.4
195.13818	2.3
197.13242	2.1
197.57607	1.5
199.14905	2.5
201.12785	2.5
209.13403	1.4
213.12836	2.2
214.61177	1.4
217.15939	4.8
227.12831	2.6
239.14441	1.9
249.14981	3.1
251.16327	1.5
257.15408	2.8
275.16660	1.7
333.22211	3.0
343.22775	3.8
351.23251	9.7
369.24261	17.6
387.25443	8.5
402.44894	1.3
405.26147	1.7
407.25540	1.6
417.26492	7.0
425.27094	1.5
443.27948	25.4
461.29028	100.0
462.29449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01852	5.0
55.05510	14.7
57.03453	6.2
61.59613	1.2
63.91097	1.2
64.52164	1.1
65.03936	2.8
67.05507	43.7
69.03411	3.6
69.07066	14.3
69.85925	2.6
69.86330	4.2
71.04984	3.1
77.11265	1.2
79.05496	34.9
81.03419	58.8
81.07059	50.3
83.04980	7.1
83.08615	17.6
85.06538	3.0
91.05479	33.9
93.07041	36.8
95.04969	27.2
95.08613	14.0
97.02894	2.5
97.06525	6.9
97.10180	6.6
99.08056	1.6
103.05511	1.6
105.04527	1.1
105.06380	2.1
105.07028	21.3
107.04963	7.3
107.08598	23.2
109.06522	4.9
109.10149	4.7
111.08077	8.1
111.28259	1.1
115.05469	2.0
117.07017	7.2
119.08591	13.9
121.06526	5.5
121.10157	12.1
123.08103	2.4
123.11742	1.4
125.09631	3.5
128.06235	1.6
129.06996	12.4
131.08571	16.7
133.06509	4.1
133.10129	6.9
135.08040	3.5
135.11726	5.6
137.09627	2.3
141.06976	1.7
142.07773	3.4
143.08580	4.6
145.06488	4.8
145.10118	3.7
147.08029	5.4
147.11670	5.4
149.09616	5.7
149.13269	17.0
155.08516	2.2
157.10126	7.4
159.08054	2.7
159.11697	9.8
161.09644	1.3
163.11189	2.2
165.12744	1.6
171.11632	2.2
173.13326	1.7
175.11203	6.7
177.12779	5.1
185.09668	1.4
185.13315	1.4
189.11179	2.1
193.12262	21.4
195.13811	6.2
201.12845	1.9
215.14305	1.2
217.15935	4.3
227.12897	1.5
249.14905	3.6
273.18411	1.3
341.24432	1.4
342.64343	1.2
343.22662	4.5
351.23019	4.2
351.43475	1.1
356.49847	1.2
359.25854	1.5
369.24222	10.8
387.25302	5.5
405.26535	1.2
417.26355	4.4
443.27972	10.9
461.28998	100.0
462.29761	2.0
486.46472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Phlomistetraol C
Peak:m/z	Relative Intensity
53.03941	1.0
55.05514	4.4
57.07071	1.4
61.55200	0.6
65.03946	0.9
67.05508	7.7
69.07069	8.4
71.08633	1.4
74.40623	0.6
79.05486	4.2
81.07057	10.3
83.04980	1.1
83.08612	3.4
86.50033	0.6
87.70727	0.6
90.16871	0.6
91.05495	7.1
93.06487	0.9
93.07045	15.0
95.04951	2.1
95.08617	22.8
97.02882	0.9
97.06551	1.0
97.10175	0.8
99.08115	1.3
104.20515	0.6
105.07033	8.9
107.08601	29.6
109.06550	0.6
109.10160	10.8
111.08075	1.9
111.11694	1.8
113.09606	0.9
117.06971	1.0
119.04926	4.0
119.08601	8.4
120.08862	0.8
121.10152	24.0
123.08051	1.1
123.11705	7.7
125.09628	1.7
131.08569	1.9
133.10114	8.8
135.11703	8.2
137.09615	1.4
137.13264	1.7
145.06412	0.7
145.10135	2.0
147.03256	0.8
147.04413	13.4
147.11664	6.5
149.09648	1.7
149.13266	35.1
151.14801	0.9
157.10124	1.2
159.11710	2.6
161.13237	4.1
163.14830	2.7
165.09171	0.8
167.14330	1.4
173.13280	1.2
175.14807	3.8
177.12727	0.8
177.16435	3.4
179.14296	0.9
187.14838	1.6
189.16365	1.3
191.18034	1.2
195.17422	1.0
197.65334	0.6
199.14822	0.8
201.16464	1.2
203.17978	11.5
205.15894	0.9
207.17445	0.8
209.18936	0.7
221.19003	1.0
223.17003	0.8
285.22040	1.1
301.31522	0.9
303.23267	0.8
313.25089	0.7
321.24326	2.3
331.26196	1.4
349.27307	2.0
425.34207	2.8
443.28754	1.3
443.35324	14.5
461.36313	100.0
462.36542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Phlomistetraol C
Peak:m/z	Relative Intensity
52.29059	1.1
53.03941	1.6
55.05510	6.8
57.07068	4.1
59.05023	1.1
67.05508	15.4
69.07075	16.8
71.04975	1.7
71.38261	0.9
73.76122	1.1
79.05489	7.0
81.07058	37.8
83.04981	1.2
83.08620	5.7
85.06538	1.8
91.05475	4.6
93.07047	18.6
95.04972	3.4
95.08609	63.2
97.06512	6.3
97.10173	4.2
99.04476	2.1
99.08086	1.3
103.08632	1.0
105.07025	12.9
107.08598	31.4
109.06516	4.3
109.10160	36.4
111.08076	16.0
111.11765	6.2
113.06067	1.5
113.09660	1.4
117.07030	3.2
119.08582	23.7
121.06514	1.3
121.10147	31.8
123.08057	6.8
123.11716	31.3
125.09660	2.4
125.13286	1.6
127.11169	1.4
131.08562	6.1
133.10124	20.0
135.08075	3.5
135.11694	23.7
137.09613	6.5
137.13264	18.4
139.11212	3.7
143.08652	1.2
145.10135	13.2
147.11678	13.6
149.09648	3.4
149.13251	12.8
151.14880	2.5
153.09100	1.4
153.12741	1.1
157.10129	1.6
159.11688	17.3
161.13275	13.8
163.11185	1.4
163.14883	6.3
165.09116	1.1
165.12810	1.8
167.10748	1.5
167.14308	4.1
171.11736	3.0
173.13284	7.9
175.11052	0.9
175.14835	11.7
177.12822	2.8
177.16367	9.1
185.13303	3.1
187.14778	7.1
189.16405	13.5
191.14308	1.5
191.17975	4.8
195.13716	1.2
199.14833	3.3
201.16383	24.4
202.17220	1.7
203.17999	10.2
205.15858	3.1
205.19595	1.1
207.17436	27.7
215.18044	1.7
217.15784	1.6
217.19489	1.7
219.17422	14.7
221.18968	3.8
223.16965	4.3
225.18550	1.1
227.18073	1.1
229.19434	1.3
231.20979	1.1
235.16982	2.2
237.18533	3.0
243.21185	2.0
247.16829	1.3
255.21140	2.7
257.22687	3.6
259.20645	1.3
264.27551	1.2
265.21707	1.7
267.21198	1.0
273.22186	2.5
275.20276	1.3
275.23880	1.2
277.21768	1.0
285.22372	1.7
289.21637	2.0
291.23123	2.3
301.21600	3.5
303.23166	10.5
315.23465	1.3
333.24396	1.4
379.33649	7.5
397.34644	12.2
407.33194	3.8
415.35620	4.7
425.34134	14.9
443.35214	30.6
461.36310	100.0
462.36624	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01866	6.6
55.05511	20.3
56.21674	1.6
56.96565	2.8
57.03435	4.2
57.07076	3.0
61.86893	1.7
67.05510	28.6
69.03423	7.9
69.07072	27.2
71.04995	4.6
73.93244	1.9
79.05494	22.5
80.05821	1.9
81.03423	13.3
81.07059	50.1
82.03764	1.7
82.69308	1.8
83.04964	8.9
83.08620	9.8
85.02901	4.8
85.06550	17.7
91.05491	19.2
92.05799	1.7
93.07044	34.8
94.07357	1.9
95.04983	10.3
95.08611	41.9
97.02915	2.7
97.06525	7.7
97.10183	5.1
98.52811	1.6
98.97584	2.0
99.04470	2.3
99.08082	5.7
101.05996	4.3
105.04471	2.0
105.07034	29.7
107.04919	4.4
107.08598	48.8
109.02865	4.0
109.06524	33.1
109.10163	29.1
111.04413	1.9
111.08086	51.1
111.11710	6.1
113.06017	8.1
114.09901	1.5
117.07024	7.3
119.07706	2.2
119.08577	45.5
121.02906	2.6
121.06503	7.6
121.10143	26.6
123.08049	7.9
123.11716	12.1
125.09628	10.4
127.03902	3.0
127.07558	18.1
127.11177	2.9
129.06981	7.3
129.09084	2.2
130.33311	1.5
131.08591	14.5
133.06490	2.0
133.10130	36.5
135.08026	5.2
135.11699	36.7
137.05974	4.6
137.09660	10.6
137.13248	4.3
139.11182	10.4
142.07768	2.3
143.08545	9.0
145.06473	2.5
145.10133	18.7
147.08018	2.7
147.11699	25.1
149.09639	5.9
149.13286	9.3
151.07506	1.8
151.11218	5.3
153.12764	3.7
155.08504	3.6
155.10646	2.8
157.10150	11.6
158.10759	2.3
159.11699	18.4
161.09634	3.8
161.13252	14.2
163.11168	10.8
163.14809	8.3
165.09123	17.9
165.12743	5.8
167.10739	5.9
169.10135	5.5
170.10976	2.5
171.11691	10.7
173.13271	9.8
175.11188	3.8
175.14859	8.6
177.12753	8.2
177.16438	2.4
179.14334	4.7
181.12288	2.2
183.11694	4.8
185.13239	11.4
187.11147	2.4
187.14816	8.9
189.12709	3.2
189.16386	48.1
191.14297	6.4
191.17950	3.4
193.12213	5.0
193.15895	2.6
194.12602	3.5
196.12445	2.4
197.13199	5.1
199.14865	8.8
201.16374	11.5
203.14357	7.0
203.17972	2.7
205.15964	2.9
207.17444	100.0
209.09677	2.1
211.14760	3.5
213.16422	9.0
213.18143	2.0
215.17975	4.0
217.15953	3.7
217.19476	3.4
219.17390	2.9
221.15378	16.7
223.16930	2.6
225.16438	4.9
227.17915	3.1
229.15866	3.6
231.17354	2.6
235.16994	5.5
237.18448	2.4
239.14050	3.0
239.16379	43.5
241.19470	3.1
243.17244	2.0
255.21088	5.6
259.20715	2.1
269.22665	3.8
269.73499	1.7
271.20737	1.8
273.22028	2.4
281.22723	7.6
287.23627	2.9
299.23700	62.2
300.23892	2.7
317.24762	53.9
335.25735	21.2
351.22705	2.8
369.23981	6.6
387.24667	4.9
425.26797	2.0
425.33981	5.6
443.27872	6.0
443.35205	37.6
461.23392	31.9
461.28610	26.2
461.36252	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	461.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.6
57.07071	13.1
59.04986	10.3
67.05490	29.5
69.07069	67.5
71.04981	12.9
79.05490	26.1
81.07056	83.7
83.08618	21.8
91.05458	16.1
93.07049	67.4
93.50188	9.9
95.08607	91.1
98.21622	14.8
99.08086	13.7
105.07020	31.8
107.08581	55.1
109.09467	9.7
109.10165	100.0
111.08136	9.5
111.11734	17.9
119.08598	37.5
121.10125	46.1
123.11691	35.2
127.11209	27.5
133.10120	26.9
135.11691	49.8
137.13258	16.4
145.10156	15.2
147.11673	32.0
149.13232	49.8
153.12723	18.2
161.13217	17.8
163.14818	21.1
175.14789	17.0
177.16368	15.2
187.14780	12.3
190.05513	8.0
191.17924	20.6
195.17403	7.2
203.17934	18.1
217.19476	12.8
293.25687	8.4
299.09763	7.8
345.65289	7.2
433.20377	12.2
461.19568	64.8
461.29486	38.7
461.36499	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	462.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88312	0.5
53.03921	0.8
55.05505	1.3
57.92570	0.6
61.70466	0.6
65.03951	0.7
67.05493	2.3
69.03435	5.6
69.41476	1.6
69.41885	4.0
71.05007	1.6
72.08128	0.9
79.05493	2.1
81.03415	2.0
81.07056	1.6
83.04987	2.3
85.02912	6.5
88.60275	0.8
89.06040	1.4
91.05466	2.6
93.07062	4.6
95.04964	6.3
95.08601	2.5
97.02891	2.9
98.21515	1.1
98.97579	1.7
99.04436	1.6
105.07033	7.8
107.04977	0.7
107.08598	2.9
109.02863	2.4
109.06538	4.0
109.10123	1.6
109.73808	0.6
111.04456	4.1
111.08060	1.7
113.05991	1.9
117.07021	1.8
119.05033	0.8
119.08580	11.4
121.02876	1.9
121.06495	5.0
121.10145	1.4
123.04399	1.2
123.08079	4.0
124.07610	1.2
127.03923	1.8
129.06998	1.4
130.49541	0.7
131.08540	4.6
133.06477	1.3
133.10165	3.2
135.08058	9.6
137.05986	1.5
137.09616	2.4
139.03880	1.7
141.06935	1.1
142.07782	1.1
143.08549	2.2
144.09277	0.6
145.04939	1.2
145.06476	1.3
145.10118	4.6
147.08046	5.2
147.11685	2.0
149.09627	1.9
152.07051	1.7
153.01727	0.9
155.08553	0.9
156.09346	1.5
157.10187	4.0
158.07257	2.4
159.08063	5.9
159.11710	5.2
161.05885	0.7
161.09615	5.9
165.09106	3.8
171.08080	0.9
171.11670	2.0
172.08803	2.5
173.09651	2.8
173.13240	3.8
175.07549	9.3
175.11188	5.4
183.11723	2.1
185.09506	1.0
186.10338	0.6
187.11133	5.0
189.09134	2.3
189.12746	1.8
193.08580	2.5
193.10149	1.4
199.11177	3.5
201.12781	6.2
203.10698	7.0
205.12469	0.9
211.11188	4.1
217.12225	4.7
219.01733	0.8
219.13818	2.4
228.02994	1.2
229.12265	4.5
235.13301	1.8
247.13322	23.0
265.14362	100.0
266.14676	1.3
276.07602	0.7
283.17551	1.1
427.19827	0.7
462.14279	2.3
462.19815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46552	2.0
55.05510	5.2
67.05514	8.5
69.07063	11.9
69.44407	10.5
71.08631	1.9
79.05497	6.6
81.07063	18.9
81.75638	2.0
83.08622	6.1
84.05786	1.6
85.27558	2.1
91.05492	5.3
93.07046	12.0
95.08616	36.2
97.10199	2.6
105.07024	12.4
107.08598	24.2
109.10152	27.1
119.08588	13.4
121.10151	30.5
123.11711	13.8
132.28874	2.1
133.10136	15.0
135.11710	13.4
137.13304	8.2
145.10103	3.8
147.11678	16.7
149.13272	10.5
151.14735	2.7
153.09106	5.0
159.11665	2.2
161.13245	11.3
163.14833	7.9
167.10658	3.8
175.14879	6.7
177.16406	6.5
177.63126	1.7
179.17900	1.8
181.12288	7.3
187.14897	3.3
189.16412	6.8
191.17993	11.3
201.16530	2.7
203.17937	24.6
205.19513	8.9
209.15443	5.1
217.19476	16.7
223.16943	3.0
231.21204	3.1
235.17003	2.7
245.22644	5.8
277.21768	2.0
292.58258	1.9
295.01007	2.7
353.98495	1.9
367.33746	2.2
388.17145	2.5
390.18048	4.1
404.19656	7.7
409.34744	3.7
419.22165	5.8
420.65256	2.0
427.35724	100.0
428.36142	2.7
432.19070	2.7
433.19626	4.4
434.24362	18.7
445.36703	10.6
447.21396	8.9
462.23828	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
55.05516	0.2
57.03441	0.2
57.64409	0.2
59.50339	0.1
67.38687	0.2
69.03439	0.2
70.11584	0.7
71.90649	0.2
72.48938	0.2
79.05517	0.2
81.03433	0.2
81.07069	0.3
83.47810	0.2
84.62046	0.2
85.02885	0.4
91.05483	0.3
93.07076	0.3
95.05046	0.2
95.08611	0.3
97.02872	0.3
104.13770	0.2
107.08629	0.3
109.10146	0.3
119.04966	0.2
121.06483	0.2
122.55040	0.2
123.08054	0.2
127.03919	0.2
133.10081	0.2
135.08046	0.2
135.11696	0.2
137.05981	0.4
147.04387	0.4
151.03958	0.2
153.01877	0.4
200.10776	0.2
218.82541	0.2
229.04970	0.3
242.11667	1.1
257.00583	0.2
258.05261	13.0
259.05838	0.2
283.14523	0.3
286.04727	34.5
287.05215	0.2
301.07071	100.0
302.07355	1.4
317.02936	0.7
398.32465	0.2
463.12241	1.2
463.21140	1.1
463.26382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01675	1.1
55.01869	10.9
55.05511	28.6
57.03442	12.9
57.07066	1.9
59.04976	3.9
65.03914	3.4
67.05504	66.1
69.03408	4.5
69.07069	19.1
71.01321	4.2
71.04993	7.2
71.54015	1.7
74.62224	1.2
79.05491	66.7
81.02984	1.6
81.03416	24.9
81.07058	49.3
83.01335	6.5
83.04978	23.0
83.08613	17.0
85.02914	6.0
85.06512	4.1
88.26929	1.2
91.05483	41.2
93.07043	80.1
95.04963	14.7
95.08607	19.3
97.02856	2.7
97.06023	1.6
97.06532	18.0
97.10170	12.6
99.04455	3.0
99.08067	3.1
103.05447	1.8
105.04496	3.0
105.07034	18.8
107.04951	14.6
107.08593	45.5
108.08889	1.2
109.02850	1.6
109.06516	8.8
109.10156	9.6
111.04433	2.8
111.08020	3.8
115.05446	1.7
117.07022	15.4
119.08572	19.5
121.06460	6.2
121.10155	13.0
123.08070	9.2
125.05953	2.5
125.09569	4.3
129.06944	4.0
130.07707	3.4
131.08623	6.4
131.34802	1.2
133.06560	1.6
133.10130	8.1
135.08008	5.3
135.11690	73.3
137.09583	3.2
143.08517	2.3
145.06456	2.1
145.10121	27.7
147.08037	2.8
147.11649	1.7
149.09602	1.5
149.13249	2.6
151.11125	1.4
153.12770	7.9
155.08514	2.5
157.10074	1.7
159.11684	2.1
161.13358	2.2
163.11182	41.1
165.09108	2.1
173.09625	6.7
181.12241	18.1
185.13313	1.8
191.10614	4.8
199.13274	2.7
209.06706	1.3
209.11720	10.9
227.12761	10.9
235.13153	1.4
253.14429	1.5
255.15852	4.1
265.14240	1.9
283.15372	1.9
287.05347	1.6
353.20816	1.3
371.25635	1.9
389.26437	1.7
419.24063	3.3
445.25034	3.3
463.26697	100.0
464.26987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01873	4.6
55.05512	22.4
56.96567	1.4
57.03440	10.4
57.07070	3.1
61.02925	2.5
61.17435	1.1
65.03928	1.9
67.05505	87.2
69.02200	0.9
69.03436	3.0
69.07069	29.2
71.01350	2.5
71.04988	5.3
72.41584	1.0
73.02913	2.8
77.03938	1.3
79.05494	49.3
80.60748	1.1
81.03433	6.2
81.07058	100.0
83.04972	9.0
83.08613	19.0
85.02929	3.5
85.06545	4.2
91.05024	0.7
91.05486	29.2
93.07045	74.4
95.04980	7.9
95.08607	25.2
95.09168	1.8
97.02914	3.1
97.06533	13.0
97.10173	3.9
99.04485	1.9
99.08098	4.5
105.04558	1.1
105.07040	11.7
107.04992	3.9
107.08595	41.8
109.06555	4.3
109.10164	6.6
111.08075	7.3
113.06049	1.8
113.09679	1.5
117.07023	11.0
119.08581	7.0
121.06535	2.7
121.10148	21.0
123.08089	2.6
123.11736	3.4
125.06051	1.2
125.09679	1.7
127.07623	2.1
129.07056	3.0
131.08575	13.2
133.10139	13.4
135.08078	2.2
135.11694	17.8
139.11229	2.1
145.10161	4.5
147.11700	3.6
149.09668	1.4
149.13261	44.1
151.11226	1.7
159.11674	16.0
159.12813	1.4
163.11237	5.1
165.12759	1.8
177.12755	12.0
181.12265	2.0
195.13806	20.4
195.15459	1.6
211.13371	1.4
213.14861	2.7
215.11241	1.2
227.12950	1.7
229.01842	1.1
251.16618	1.6
269.12546	5.0
287.05524	2.9
317.20023	1.5
335.20694	2.2
463.30774	96.6
464.31171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02375	1.0
53.03945	3.9
53.54533	0.7
54.44078	0.8
55.01863	3.2
55.05265	1.1
55.05515	19.2
57.03445	8.8
57.07074	1.9
65.03944	3.4
67.05507	83.0
69.03445	1.0
69.07070	29.0
71.01361	1.1
71.05002	6.7
71.08636	1.3
71.54770	1.6
73.02927	1.3
75.34153	0.8
79.05495	50.6
81.03425	3.9
81.07059	99.6
83.04982	7.9
83.08624	17.4
85.02918	1.1
85.06564	5.3
87.71764	0.8
91.05481	29.8
93.07049	73.8
95.04977	7.1
95.08613	24.3
97.06531	13.2
97.10152	2.2
99.04459	1.2
99.08093	3.7
105.04503	1.9
105.07034	10.2
107.04982	0.9
107.08598	41.9
109.06521	3.5
109.10159	5.4
111.08070	8.2
111.11709	1.0
113.05989	1.5
113.09656	1.7
117.07029	11.6
119.08527	4.1
121.06523	1.5
121.10149	25.5
123.08039	1.3
123.11709	3.0
125.06033	0.9
126.25924	0.8
127.07586	0.9
131.08582	11.3
133.10133	9.2
135.08064	2.2
135.11711	11.8
139.11200	2.3
145.10089	1.0
146.78197	0.7
147.11684	2.9
149.09644	1.4
149.13261	48.6
151.11209	1.0
155.02773	0.7
157.10211	1.3
159.11708	19.2
163.11183	0.8
165.12842	1.4
167.14314	2.1
171.11691	0.8
177.12755	11.8
195.13809	18.9
213.14940	3.2
238.19194	0.8
250.97658	1.0
251.16605	1.0
269.17633	0.8
287.05515	1.5
389.27222	1.0
403.89795	0.8
446.29773	1.7
463.30640	100.0
464.30792	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02378	1.5
53.03941	5.8
55.01870	4.4
55.05266	1.2
55.05511	21.1
57.03438	9.9
57.07066	3.1
65.03947	4.5
67.05505	84.3
69.03412	1.7
69.07069	30.7
71.01360	1.0
71.05009	6.0
71.08639	1.0
73.02914	1.8
79.05492	57.3
81.03417	6.4
81.07055	100.0
83.01359	1.0
83.04985	10.9
83.08624	17.7
85.02891	2.7
85.06546	6.1
91.05478	30.3
93.07043	80.8
95.04967	9.6
95.08610	25.2
95.09231	1.2
97.02873	1.0
97.06530	14.7
97.10163	3.8
98.21500	2.2
99.04427	1.4
99.08099	4.3
105.04511	2.4
105.07032	13.6
107.04956	3.8
107.08595	45.5
109.06511	5.2
109.10167	5.9
111.08095	9.6
111.11697	1.1
113.05989	0.8
113.09687	1.8
115.05474	0.9
117.07021	12.8
119.08577	6.8
121.06497	2.3
121.10147	24.1
123.08104	2.4
123.11692	2.0
125.09657	2.3
129.07027	1.8
131.08551	12.6
133.10123	11.6
135.08047	2.7
135.11691	20.1
139.11189	2.7
144.09393	1.0
145.10130	4.7
147.11674	1.8
149.09729	1.5
149.13254	46.3
151.11198	1.0
159.11691	19.8
163.11215	5.2
165.12729	0.9
167.14317	1.2
173.09483	1.2
177.12750	11.2
181.12291	2.1
195.13824	18.3
209.11673	1.9
213.14784	4.5
219.13823	1.1
227.12840	3.2
251.16406	1.3
265.14441	1.1
287.05276	1.1
416.04343	0.9
445.25552	1.7
463.30905	98.6
464.31284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03951	0.7
57.03428	0.6
60.77316	0.4
69.03429	3.2
70.06948	1.1
70.07351	0.7
71.04987	0.6
79.01852	2.6
81.02927	0.4
81.03416	7.7
85.02914	3.4
97.02901	6.4
98.97582	1.0
99.04460	1.4
107.01311	1.2
109.02880	4.6
113.06003	0.7
116.98641	0.4
121.02824	0.7
123.04427	0.6
124.74879	0.4
125.02318	2.2
127.03923	7.7
134.71719	0.4
137.05998	0.5
139.03943	0.6
143.03406	3.5
145.04964	1.9
146.46501	0.4
150.05540	0.5
153.01839	100.0
153.02832	4.1
154.02196	0.7
161.05940	0.5
162.61168	0.4
171.02901	15.0
181.08578	0.6
248.36119	0.4
268.06665	0.4
275.02020	0.4
297.06070	11.6
315.07126	16.8
315.10760	0.9
316.07547	0.5
390.19760	0.4
464.16919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01873	2.5
57.03447	5.5
61.02936	7.1
69.03438	14.3
69.34229	3.8
69.34654	2.7
70.04079	1.1
71.04992	2.2
73.02924	4.2
74.09731	1.3
81.03433	6.9
85.02917	100.0
87.04480	1.9
91.03966	6.5
92.04778	2.9
97.02902	24.6
99.04470	4.9
105.07044	5.6
109.02893	10.0
127.03931	24.3
138.77179	0.8
140.07207	0.8
145.04979	58.9
147.08081	1.7
150.05318	0.7
153.05569	0.8
163.06049	27.9
167.05647	1.1
169.04836	2.3
170.12926	3.3
178.44339	1.0
180.06407	3.6
190.38425	0.8
201.09253	1.1
222.07419	1.5
231.10194	1.5
243.08899	2.5
249.11372	1.2
267.05844	0.8
285.13321	4.0
303.05142	6.5
308.11115	1.8
324.10492	1.9
325.11420	2.3
332.18243	1.7
364.80722	0.9
378.15430	2.3
394.87067	0.9
440.99512	0.8
464.15332	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92933	1.1
56.96571	1.4
69.03431	4.5
69.83968	5.5
71.04977	1.3
80.40723	1.3
84.21132	1.4
85.02890	4.5
85.48618	1.4
98.97582	3.8
109.02895	1.3
115.05489	2.0
123.04415	2.1
127.03909	3.4
137.05965	1.4
139.03923	2.5
143.04846	1.8
145.04967	1.8
147.04451	1.7
153.01855	2.2
158.99689	1.5
161.05902	1.6
171.04442	6.2
187.03934	3.9
199.03914	9.0
203.03316	1.7
209.02237	1.4
211.03911	2.8
215.03375	6.2
219.01750	2.3
227.03464	8.0
231.02908	2.9
233.04495	1.5
237.01791	1.5
239.03340	1.6
243.02895	10.0
245.04414	2.6
255.02913	9.8
257.00800	3.6
259.02432	3.6
261.04044	2.5
271.02426	12.6
273.03946	9.7
275.01898	4.9
277.03360	9.3
283.02448	6.0
285.00317	2.8
289.03436	7.7
299.01889	32.3
301.03436	22.7
303.01358	37.8
303.04813	3.2
315.01337	5.3
315.04639	1.7
316.02286	1.5
317.02902	4.4
327.01328	11.2
341.02850	4.0
343.04514	2.7
345.02411	100.0
369.02249	2.5
375.10275	1.4
387.03391	1.8
393.10410	2.3
447.05829	2.5
462.50452	1.4
465.06735	3.2
465.15247	7.1
471.57007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01863	0.7
57.03436	0.5
61.02920	1.8
68.99797	0.6
69.03430	3.0
70.70995	0.9
71.05011	0.4
73.02916	0.8
81.03420	2.1
85.02435	0.6
85.02908	9.5
91.03957	0.8
97.02894	3.5
99.04438	0.5
100.93806	0.3
109.02888	1.4
111.00801	1.0
121.02850	1.1
123.04483	0.3
127.03945	2.4
137.02350	4.2
145.04982	1.9
149.02321	0.5
153.01836	4.1
163.03949	0.6
165.01830	2.0
173.05994	0.4
183.02890	0.9
201.05528	2.5
229.04977	5.0
240.37810	0.3
247.06033	1.0
257.04434	3.7
274.04721	0.9
285.03882	1.3
303.04990	100.0
304.05295	1.1
453.86191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Hyperoside
Peak:m/z	Relative Intensity
57.03425	0.5
59.60359	0.4
61.02934	6.0
68.99795	0.6
69.03431	1.2
69.97755	1.0
69.98141	0.6
73.02911	1.7
85.02916	4.9
91.03980	3.0
97.02895	2.4
98.20845	0.8
98.60786	0.4
109.02827	0.5
111.00791	1.3
121.02866	0.7
127.03923	1.2
133.19444	0.4
137.02361	3.6
141.16560	0.4
145.04968	1.1
149.02339	0.5
149.05304	0.4
153.01849	3.6
156.38158	0.4
163.03938	0.8
165.01888	2.3
166.02731	0.5
173.05988	0.6
183.02972	0.7
201.05496	1.6
222.06517	0.4
224.22197	0.4
229.05003	4.3
247.06436	0.5
257.04407	2.6
274.04749	0.7
285.04034	1.5
303.05023	100.0
304.05435	1.4
385.40680	0.3
385.94113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03947	0.3
55.01877	0.4
55.05505	0.5
57.03422	0.9
59.05002	0.3
61.02916	1.0
61.11310	0.3
67.05495	1.1
68.99803	0.6
69.03424	1.8
69.07063	0.9
70.06596	0.3
71.01353	0.7
71.04989	1.9
71.21329	0.6
72.76653	0.2
73.02919	20.8
73.06552	0.5
79.05486	1.1
81.03412	1.1
81.07061	2.9
83.04981	0.5
85.02429	0.5
85.02908	7.2
85.06530	0.5
87.04471	2.0
88.91795	0.3
91.03947	0.6
91.05466	0.9
93.03398	0.3
93.07043	2.3
95.04971	0.9
95.08614	1.7
97.02894	2.9
97.06529	0.3
98.21358	0.2
98.97576	0.7
99.04428	1.4
105.07036	0.8
107.04964	0.4
107.08601	3.4
109.02885	1.4
109.06512	0.3
109.10173	1.3
110.97538	0.3
111.00777	0.7
115.03924	1.1
116.98643	0.3
117.05485	0.6
117.07015	0.4
119.08557	0.7
121.02872	1.3
121.10107	0.5
123.04449	0.8
123.08064	0.5
125.05953	0.3
125.09689	0.3
127.03931	1.5
129.07031	0.4
133.04967	0.5
133.10129	0.5
135.04393	0.3
135.08025	0.3
135.11684	3.5
137.02333	2.7
137.05943	1.0
137.09607	0.9
145.04944	1.0
145.06471	0.3
145.10141	0.3
147.04422	0.6
147.11784	0.3
149.02299	0.4
151.03952	0.6
151.07558	0.4
151.11124	0.3
153.01823	4.2
153.12753	10.1
157.10081	0.4
158.99728	0.3
159.11751	0.4
161.05911	0.3
163.03949	0.8
163.11217	0.3
165.01869	2.0
165.09090	0.7
166.02527	0.3
166.08716	0.4
168.39207	0.3
171.13805	0.6
173.06015	0.6
179.03430	0.3
181.08627	0.4
183.02919	0.7
185.08141	0.4
189.09045	0.3
191.14302	0.3
193.15915	0.5
195.02875	0.4
201.05434	1.5
219.06551	0.4
228.04063	0.3
229.04938	4.3
247.06105	0.5
257.04453	2.8
267.15918	0.4
272.10962	2.4
272.61166	0.5
273.70679	0.3
274.04660	0.9
285.03888	1.0
285.08661	3.7
285.12018	0.7
303.04996	100.0
303.09854	2.5
304.05350	1.5
324.63336	0.3
327.05484	0.2
347.57321	0.3
375.21936	0.3
465.09045	0.3
465.20325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	0.7
57.03448	0.5
59.51479	0.4
61.02941	2.0
68.99799	0.5
69.03439	2.5
69.98439	1.5
69.98847	0.7
71.04993	0.5
73.02895	0.7
81.03436	1.4
85.02919	8.6
91.03939	1.2
97.02917	2.8
98.20825	0.5
99.04453	0.5
109.02904	0.9
109.76390	0.4
111.00812	1.0
121.02879	0.7
123.04442	0.5
127.03931	1.5
137.02353	3.8
145.04964	1.3
153.01848	4.6
165.01855	2.3
173.05949	0.5
183.02963	0.6
183.04378	0.5
187.03857	0.7
201.05508	1.8
229.04982	4.7
247.06017	0.7
257.04507	2.7
274.04724	1.4
285.03967	1.8
303.05029	100.0
304.05453	1.0
432.94302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1374
Annotation	Keyakinol
Peak:m/z	Relative Intensity
53.03962	0.6
55.05511	1.2
61.02923	0.6
63.05059	0.4
67.05516	1.6
69.03430	1.2
69.07069	1.3
71.04986	0.5
71.06013	0.4
71.54435	0.6
73.02927	0.8
76.88659	0.4
79.05493	0.9
81.03443	0.6
81.07068	3.3
83.05035	0.5
85.02924	2.4
91.05505	1.3
93.07069	3.0
95.04948	0.4
95.08640	2.1
97.02905	1.1
97.06556	0.8
97.10186	0.6
105.07039	2.2
107.08620	2.4
109.02888	0.9
109.10174	1.6
111.04475	0.6
111.25021	0.4
117.07057	0.5
119.04959	0.4
119.08603	1.8
121.06504	0.6
121.10154	2.0
123.04434	3.8
123.11745	1.2
125.09725	0.5
127.00008	0.5
127.03935	0.9
129.07072	0.4
133.10158	1.6
135.11703	1.4
136.12056	0.8
137.02286	0.5
137.09634	0.9
139.03896	0.5
143.08606	0.5
145.05080	0.4
145.06519	0.4
145.10152	0.9
147.04431	1.6
147.11743	1.5
149.13226	0.7
151.03970	0.8
157.10193	0.4
159.11780	0.4
161.01279	0.4
161.09627	0.4
163.07471	0.4
165.05478	0.9
165.09149	0.4
167.03162	0.6
167.07138	0.6
171.11862	0.4
175.14882	0.8
177.05496	0.5
185.04250	0.8
186.07254	0.4
187.07562	0.6
191.14108	0.5
201.05377	1.1
213.16544	0.5
216.07603	10.0
217.08395	7.6
217.83687	0.4
227.05360	1.2
271.04248	2.7
279.04355	0.4
285.07715	0.5
285.12277	0.6
285.17117	0.5
303.05026	10.9
303.08240	0.6
313.17975	0.5
379.13644	4.3
421.14740	26.3
453.41846	0.4
465.13766	100.0
466.14090	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01861	1.5
55.05500	2.9
57.03422	2.7
61.02918	1.9
65.03929	2.1
67.05496	5.5
69.03420	5.1
69.07062	3.1
69.50208	4.7
69.50620	3.4
73.02909	4.4
79.05496	7.2
81.03406	3.8
81.07052	8.5
83.05002	2.1
85.02896	6.6
85.06529	1.5
91.05486	13.4
93.07055	13.0
94.04177	1.4
95.04958	6.4
95.08590	4.8
95.80796	1.3
96.28103	1.2
97.02901	3.8
97.06517	2.6
98.97536	1.5
103.05465	6.5
105.07030	9.8
107.04966	16.5
107.08582	6.4
109.02878	1.8
109.06451	2.6
109.10149	4.2
110.03748	1.5
111.04424	2.8
115.05457	3.4
116.58188	1.1
117.07007	2.9
118.81457	1.5
119.04931	4.2
119.08565	4.3
119.10960	1.2
121.06508	12.9
121.10136	4.2
122.03613	1.7
123.04438	17.2
123.08083	2.5
123.11688	1.4
124.05220	2.5
125.05985	1.8
127.03902	4.5
127.91876	1.4
128.06252	3.1
128.07188	1.2
129.06989	15.8
131.04915	5.6
131.08539	6.6
131.42166	1.3
132.05736	1.7
133.06467	4.3
133.10101	3.2
135.04373	2.3
135.08022	4.4
135.11678	3.0
137.02344	3.5
137.05971	13.1
137.09584	5.6
137.88164	1.4
138.05513	7.3
138.09052	3.1
138.13348	1.3
139.03857	1.3
140.04681	9.3
141.07027	1.8
143.08542	1.8
145.06464	5.3
145.10138	2.6
146.07233	1.8
147.04424	2.4
147.08020	2.8
148.05167	2.9
149.05991	5.1
151.03920	3.1
151.07564	14.3
152.04686	2.3
153.01814	2.6
153.05484	7.5
155.07037	12.8
157.06508	10.6
159.08032	3.0
161.04645	2.3
161.05984	42.4
161.09605	12.0
163.07516	12.1
163.11172	1.5
165.05490	2.7
165.07027	3.2
165.09108	9.0
166.04984	10.2
166.06284	4.4
167.07053	77.5
167.08464	3.2
169.06587	1.5
169.10037	1.7
172.83633	1.4
173.05991	1.7
174.06757	8.1
175.07544	12.8
177.05412	3.6
177.09082	7.1
179.07062	3.1
179.08472	2.1
179.10689	1.6
181.08600	64.1
182.07228	2.4
187.07533	1.5
189.07385	2.9
189.09111	58.9
191.07042	5.4
191.08572	2.1
191.10643	2.7
193.06444	1.7
193.08510	2.3
194.07211	2.1
195.08090	4.6
195.10025	1.9
197.09654	6.0
201.05449	2.4
201.29942	1.4
203.07182	1.6
203.10655	1.9
205.06441	1.5
205.08440	1.7
207.08208	2.2
207.10173	17.0
209.06050	1.9
209.09689	1.7
210.06705	3.0
211.07527	2.6
212.08379	1.5
212.10744	1.5
219.07999	3.5
219.10188	9.6
221.06021	2.7
222.06749	1.4
223.07497	5.3
223.11226	1.8
225.05486	1.9
225.09215	8.6
227.06970	2.5
229.04944	2.6
235.07515	1.5
235.11580	1.5
236.08328	2.7
237.09117	4.0
239.07043	2.9
240.07869	3.1
241.08632	2.3
242.09448	2.6
242.11816	1.7
247.07477	3.3
251.06996	4.2
251.10638	4.3
253.08600	8.8
254.09329	2.0
255.06786	1.6
255.10104	5.0
257.08273	1.4
257.11517	8.8
264.07672	1.8
265.08740	3.2
267.10428	1.9
269.08090	3.9
270.08801	2.2
272.11530	5.6
274.09393	3.1
275.13870	3.0
279.10352	3.9
283.09628	9.5
283.13205	6.8
285.11545	18.5
292.07498	1.6
295.09729	1.5
296.10431	2.2
297.11234	3.3
299.12686	2.0
300.10019	1.9
302.11420	2.5
303.04993	60.2
303.13385	41.7
303.16669	1.9
305.13849	1.7
311.12766	5.8
315.12320	13.7
317.13834	23.2
327.12051	1.7
329.13989	6.7
331.15506	6.8
341.13989	1.4
343.12180	1.4
343.15399	35.6
346.14105	5.7
359.14850	6.7
360.15665	23.0
361.16443	100.0
372.15717	1.6
373.16272	2.7
396.60974	1.6
403.17377	1.5
435.20111	18.7
447.20767	1.7
465.22369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.36970	0.8
54.87896	0.9
55.01874	1.7
55.05494	3.1
56.96563	0.9
57.03444	12.5
57.07083	7.6
59.04998	5.9
60.60508	0.9
61.02935	6.2
65.03927	1.1
67.05514	7.5
69.03441	42.6
69.07081	4.4
70.06580	3.6
71.04988	3.9
73.02927	6.3
79.05482	2.9
81.03413	3.6
81.07072	4.6
83.04945	1.0
83.08628	2.2
85.02918	31.1
85.06556	4.7
85.10197	1.1
87.04481	26.1
88.16733	0.9
91.03965	2.4
91.05478	2.6
93.07040	3.6
95.04965	3.8
95.08618	35.6
97.02901	27.2
97.06525	4.1
98.97585	2.2
99.04459	2.1
99.08100	5.7
105.07017	1.9
107.04990	1.2
107.08613	5.5
107.84657	0.8
109.02875	1.9
109.06541	10.3
109.10175	7.5
111.08067	3.9
112.07630	1.7
113.09660	46.8
115.03944	26.7
116.39962	0.8
117.06953	0.9
120.08102	0.9
121.02871	2.2
121.06511	1.8
121.10145	1.5
122.29214	0.9
123.04445	2.1
127.03911	3.8
127.11198	6.6
133.04024	1.6
133.04982	25.1
135.04329	1.0
135.11685	7.6
137.02368	3.3
137.05966	2.4
137.09624	1.0
137.13242	3.6
139.07553	0.9
139.38388	0.8
145.04993	2.8
151.03893	2.5
153.01863	5.2
153.12764	31.8
155.14330	12.5
158.05975	1.0
161.05994	2.2
162.05431	1.3
165.05498	0.9
171.13840	19.5
177.05582	0.9
177.12764	2.3
179.05556	1.4
183.03058	1.1
195.13809	2.5
201.05486	1.4
213.14845	8.6
229.05006	4.6
250.62477	1.1
257.04495	3.0
267.11258	2.0
267.15860	2.6
279.15991	1.7
285.04062	1.6
285.12302	1.7
297.16895	1.8
303.05023	100.0
303.13086	5.8
304.05359	1.7
333.19247	1.7
361.03995	1.5
363.03903	1.7
447.18167	1.4
465.13043	5.4
466.14786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01871	5.2
55.05522	29.8
55.92054	2.0
57.03447	19.6
60.78130	1.9
61.11139	1.8
65.03956	3.6
67.05512	67.5
69.03421	5.4
69.07076	19.3
69.17390	14.9
69.17796	3.2
71.01370	3.6
71.04996	6.5
79.05503	78.4
81.03430	58.6
81.03831	1.1
81.03916	2.2
81.07066	51.7
83.04996	22.2
83.08630	23.8
85.02913	24.7
85.06552	5.0
91.05492	54.1
93.07057	65.7
95.04981	46.1
95.08615	19.0
97.02896	5.1
97.06530	12.7
97.10182	16.0
99.08102	4.3
105.07040	32.7
107.04968	7.7
107.08611	39.3
109.06536	7.0
109.10178	9.6
111.08086	11.2
113.05980	3.2
117.07029	9.1
119.08610	20.5
121.06535	6.0
121.10163	13.4
123.08084	4.6
123.11767	2.3
125.09637	4.4
128.06290	2.1
129.07010	9.5
130.07799	1.7
131.08595	12.3
133.06517	4.0
133.10152	13.8
135.08092	2.4
135.11710	53.9
137.09645	3.2
142.07797	3.0
143.08623	3.7
145.10152	15.5
147.08084	3.2
147.11723	14.4
149.09601	3.7
151.65395	1.6
153.12790	2.8
157.10141	12.5
159.11734	4.6
163.11214	10.6
165.12782	2.9
175.11205	15.7
177.12784	2.5
181.12292	9.6
187.11247	2.1
193.12283	48.8
193.14098	2.3
211.13322	56.2
211.15274	3.4
223.13315	2.2
240.40012	1.8
255.15929	13.7
267.15945	12.5
303.05069	6.4
329.21185	7.6
355.22757	3.4
373.23706	7.4
403.24921	4.4
421.25977	4.5
447.27582	18.1
465.28580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01871	4.7
55.05512	28.0
56.95559	1.7
57.03436	17.3
57.07078	3.1
65.03930	4.0
65.25050	1.7
67.05505	62.3
68.14900	1.8
69.03419	4.0
69.07072	20.2
69.34067	16.2
70.06585	2.0
71.01350	4.0
71.04977	8.1
76.45190	1.8
79.05494	58.4
81.03415	47.8
81.07057	43.5
83.04985	16.7
83.08630	20.4
85.02899	24.5
85.04794	1.7
85.06520	2.2
86.29764	1.7
89.05946	1.8
91.03960	1.7
91.05482	43.9
93.06477	3.4
93.07045	54.2
95.04967	35.3
95.08598	18.9
97.02853	2.9
97.06532	12.4
97.10180	10.5
98.97546	2.0
99.08067	2.9
105.04462	1.9
105.07027	27.0
107.04972	9.7
107.08590	37.1
109.06539	4.6
109.10161	8.6
109.76329	1.9
111.04414	2.3
111.08077	12.1
117.07005	9.7
119.08578	23.3
121.06513	4.0
121.10137	17.5
123.08062	4.4
123.11654	3.0
125.09644	7.4
127.04005	2.0
129.06981	8.7
131.08583	8.9
133.06544	3.0
133.10159	13.8
135.08141	2.1
135.11696	43.2
137.09676	4.0
142.07677	2.2
143.08575	2.2
144.75751	1.8
145.10101	11.4
147.08080	4.7
147.11652	11.1
149.02382	2.7
149.09618	1.9
157.10139	10.9
163.11214	8.4
175.11230	11.6
181.12270	7.9
189.11296	1.8
193.04897	3.3
193.12245	40.4
194.42639	1.9
211.13286	57.2
219.13960	2.3
232.68112	2.1
237.07579	5.4
250.21254	2.2
255.15932	12.5
256.26251	2.2
267.15887	9.9
271.62991	2.1
303.04919	15.0
329.21088	5.5
373.23538	9.4
385.42120	2.4
403.24872	4.9
421.25839	3.2
447.27170	19.2
465.28503	100.0
466.31470	6.2
477.22809	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	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13188	1.3
55.01865	2.4
56.96549	2.1
57.03439	14.3
59.04994	3.7
59.97928	1.4
60.04522	1.5
61.02915	5.0
61.17307	1.3
69.03435	62.0
70.78252	4.1
73.02901	4.0
81.03411	4.2
85.02908	41.5
85.03301	0.8
85.03428	1.5
87.04475	39.7
91.03948	2.3
95.04987	6.6
97.02901	43.9
98.97566	4.3
99.04474	1.7
105.69463	1.2
107.04971	1.7
109.02901	3.0
115.03941	60.9
118.39222	1.5
123.04442	30.5
124.05271	6.4
124.99076	1.3
127.03925	7.0
130.06516	1.9
133.04973	68.4
137.05972	2.6
139.03906	1.8
140.04628	3.8
145.05014	7.0
148.05186	2.7
149.02325	2.2
150.07603	12.8
151.07532	12.8
151.38239	1.6
153.01866	7.1
153.05464	4.3
155.07037	100.0
157.07593	1.6
164.04688	18.0
165.09091	2.0
167.07074	6.1
169.04909	2.2
179.05469	3.1
179.07043	59.5
182.05757	5.1
189.05589	2.0
191.07011	8.7
193.08571	1.3
197.08096	15.1
206.05821	2.8
221.08134	7.0
233.08040	11.7
241.07036	2.4
251.09151	31.0
259.08090	2.0
281.10156	6.2
286.11975	2.1
287.11258	1.8
304.05649	1.5
304.13065	2.1
447.50003	1.6
466.13586	2.5
467.18579	3.8
487.10971	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43526	3.1
56.28767	2.9
56.90449	3.4
56.96575	3.4
57.03438	19.3
59.04984	4.6
61.02924	3.9
63.37934	2.9
65.35701	3.2
69.03093	4.4
69.03435	70.2
70.06517	10.6
70.06898	9.4
71.04977	3.6
73.02910	5.8
81.03428	17.3
83.04987	3.4
83.52393	2.9
85.02908	59.7
87.04472	49.2
91.05476	13.4
97.02298	4.8
97.02900	68.1
98.97559	6.9
99.04443	7.6
105.07037	6.4
109.02874	18.3
111.04434	4.2
112.07600	9.5
112.10915	3.8
115.03933	75.3
119.04916	8.0
123.04428	15.6
127.03923	21.5
133.04964	70.3
133.06488	5.1
137.05989	97.3
139.03912	5.7
145.04935	12.2
147.04335	4.7
149.06003	5.8
150.07645	5.9
151.07585	16.8
153.01839	100.0
153.02904	3.9
154.02155	6.1
155.07028	16.3
158.08124	13.2
161.05971	7.4
165.05501	35.9
167.07069	4.0
171.02893	5.6
175.07480	5.7
177.05528	4.7
179.07051	41.3
184.66736	3.5
187.07544	5.4
191.07022	7.3
197.08083	8.9
203.07207	6.9
205.08661	8.1
215.07057	3.9
219.01674	5.0
221.08080	11.2
223.07552	12.4
226.98526	3.5
233.08119	23.5
237.02762	3.7
251.09230	28.0
268.09680	10.4
269.10327	4.2
281.10104	5.0
295.10480	3.3
297.06018	6.6
303.01273	5.1
304.01764	8.3
315.07065	15.0
317.12363	3.8
383.86551	4.1
466.14832	3.8
476.61569	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	466.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01880	12.5
55.05510	2.8
57.03440	3.7
57.07076	5.4
61.02905	1.8
62.06092	3.9
67.05504	7.8
69.03439	19.5
69.07076	8.8
70.02950	6.9
71.04990	4.3
71.53604	3.5
72.04217	2.1
72.04528	25.0
73.02929	16.1
79.05477	2.2
81.03426	19.0
83.04983	9.8
84.04472	1.8
85.02917	22.8
85.06555	8.8
86.09721	5.0
87.08128	2.4
88.04005	1.9
90.05565	42.8
91.05486	8.3
93.07038	3.9
95.04990	11.1
95.08601	2.9
96.08138	2.8
97.02913	17.3
97.06516	2.5
98.02429	18.6
98.97602	4.9
99.04456	7.4
100.04000	6.4
103.03965	3.9
103.07581	3.9
105.03385	10.1
105.07064	3.0
107.08597	2.8
108.84685	2.2
109.02891	32.8
111.04449	3.6
113.06020	8.1
115.03936	3.9
116.03463	19.7
120.08102	1.9
123.04419	6.2
123.08069	2.3
124.07607	25.4
127.03935	20.2
128.93532	1.9
131.07042	2.3
132.06593	9.2
133.10114	2.4
137.05975	3.8
137.09654	2.0
138.05489	2.0
139.03900	5.1
142.08675	22.2
145.04977	6.8
146.06116	1.7
151.03896	2.4
153.01843	5.7
153.05453	2.2
156.10190	5.5
157.10590	2.0
160.09737	7.9
166.08676	6.3
167.06987	3.2
169.04968	1.9
172.09688	4.3
174.11250	5.2
177.00740	2.0
181.05011	4.2
183.08553	3.3
184.05878	3.7
184.09694	31.1
198.02821	1.8
198.07701	4.7
199.06018	9.4
202.10774	100.0
203.11572	2.4
209.15489	1.9
211.09734	12.9
216.08667	5.4
217.06995	3.9
220.11807	24.8
221.34299	1.9
230.10275	13.6
234.09769	12.1
244.11682	3.5
262.12854	22.7
267.08704	6.0
272.15112	2.0
290.15857	2.1
303.05124	2.1
304.05301	9.6
305.15182	2.4
310.12964	10.1
328.13950	76.5
346.14960	17.5
364.16061	37.0
449.16614	3.5
466.14566	6.7
484.48123	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	466.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01882	1.0
56.36914	0.9
56.41914	1.0
57.03443	1.9
57.30357	0.9
66.67496	1.0
69.03418	2.9
70.81087	0.9
70.81448	3.1
71.04980	1.0
72.08080	0.9
73.02924	1.2
79.05479	4.5
81.03417	1.2
81.07062	1.1
83.81171	1.1
85.02924	6.3
86.66292	0.9
87.59373	1.0
91.05484	2.3
95.04973	1.0
95.08589	2.2
97.02908	1.9
98.97601	3.4
103.05472	4.4
105.07035	6.0
107.04963	44.0
107.08572	1.3
115.05451	2.0
123.04446	3.2
124.05190	1.8
124.07566	1.7
125.06006	1.1
131.04950	1.9
135.08069	13.6
137.02307	1.5
137.05959	3.0
137.09711	1.7
145.04958	1.2
145.07579	2.1
149.05933	1.7
150.06921	1.0
153.01857	3.1
153.05537	1.0
154.06311	2.0
161.06041	2.5
162.05554	2.5
163.06133	2.0
163.07552	42.3
165.05524	1.2
167.07048	100.0
180.07802	2.1
181.08614	1.5
193.08612	4.2
195.10165	28.5
211.09706	6.3
213.11229	73.9
221.38831	1.1
230.05432	1.9
258.04904	1.1
280.10703	2.1
287.14899	57.5
291.03827	2.3
296.34644	1.1
303.04990	9.6
304.05341	28.6
304.13718	3.7
316.13995	1.4
430.16772	3.3
448.17993	4.3
466.19443	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38374	0.6
53.03940	1.0
53.25967	0.6
55.01881	3.8
55.05515	1.7
57.03444	8.1
57.07079	3.0
59.05011	0.7
61.02930	3.6
66.04710	0.7
67.05509	5.6
69.03430	10.0
69.07069	8.4
69.38699	4.8
71.01353	2.0
71.04990	1.3
73.02917	14.0
79.05499	7.9
81.03413	2.5
81.07059	100.0
83.08594	0.9
85.02907	29.1
85.06558	1.0
87.04507	1.0
91.03937	0.8
93.07060	1.5
94.58054	0.6
95.05020	0.7
95.08611	23.0
97.02895	18.2
99.04430	0.9
99.08112	0.6
103.03979	1.1
105.07027	1.3
107.08616	1.9
109.02899	2.1
109.10174	1.8
111.08090	1.2
111.11730	6.5
115.03934	11.3
119.08569	1.1
121.10198	0.7
123.11774	1.1
127.03925	8.6
131.08635	0.9
132.06615	1.5
133.04979	13.9
135.11725	1.0
137.13261	31.6
145.04958	12.2
147.11726	1.0
149.13242	1.1
150.07642	2.4
153.12755	1.1
155.14308	7.2
159.11737	0.7
163.06026	6.9
173.13290	0.8
179.14278	0.6
207.56947	0.6
217.07143	1.2
223.06064	1.8
241.07161	2.5
259.08154	3.8
269.17578	1.4
277.09256	1.0
281.17480	0.8
295.10303	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	466.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96239	0.3
52.16171	0.4
57.07080	5.6
58.06569	1.5
65.03915	1.5
67.05498	0.9
67.95343	0.4
69.07053	0.4
70.06595	13.6
71.05910	0.6
71.08627	2.5
72.08130	0.8
76.73070	0.4
83.23093	0.3
85.10176	0.8
88.07635	16.9
93.07011	0.5
102.09184	13.7
121.02865	0.6
134.10297	0.4
139.03886	0.8
149.02350	42.8
149.03436	2.4
150.33240	0.3
193.04970	47.6
194.05388	0.4
237.07576	59.2
238.07716	0.4
256.26355	41.7
300.28970	0.8
359.33029	0.4
466.31653	100.0
467.31815	1.9
492.47366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.1
57.07071	2.5
58.06593	4.2
60.04530	11.3
67.05508	12.4
69.07076	31.0
71.04971	1.8
71.06540	2.0
72.08159	1.3
74.44845	1.0
79.05487	8.1
81.07063	43.7
83.08626	5.3
84.08156	13.0
87.19480	1.0
88.05293	1.1
91.05486	5.8
93.07043	18.1
93.88223	1.1
95.08617	25.2
97.10143	1.6
105.07050	12.2
107.08612	18.7
109.10165	22.6
117.07030	1.5
119.08601	12.0
121.10143	15.2
121.10935	1.7
123.11728	7.0
126.09167	1.7
127.11214	1.6
131.08572	5.1
133.10124	7.5
135.11711	10.4
137.13275	2.4
143.08620	1.0
145.10132	5.3
147.11722	8.2
149.13274	5.6
157.10164	3.1
159.11719	7.8
161.13283	5.4
163.14815	1.7
171.11743	1.6
173.13335	4.9
175.14842	4.1
177.16513	1.5
187.14909	2.9
189.16441	3.9
191.17958	2.0
201.16418	3.2
203.18005	2.6
215.17992	1.4
229.19614	1.3
231.21118	1.7
257.22968	1.4
281.12415	1.2
325.28851	1.3
407.36743	2.6
466.40582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01863	5.5
56.96569	13.2
57.03428	7.1
61.02913	9.1
69.03432	23.5
69.77173	9.5
71.05000	3.7
73.02913	6.9
81.03412	11.8
82.99863	4.8
85.02430	3.7
85.02913	49.4
86.03213	2.4
86.09702	2.5
87.04483	2.5
91.03970	4.1
91.26257	2.3
97.02898	22.5
98.97580	33.4
99.04469	6.6
101.00883	34.6
103.02428	5.6
105.38606	1.9
109.02892	5.7
110.97584	6.6
112.99191	3.1
113.00893	14.9
115.00648	3.8
115.02428	23.5
115.03827	2.6
116.98639	11.6
117.03997	9.0
119.01933	43.1
121.03497	2.0
125.00865	2.7
127.02428	9.2
127.03939	18.0
128.98633	6.7
129.00313	2.7
129.03963	5.9
131.01923	32.0
133.01729	3.9
133.03479	46.7
135.05023	8.9
137.00842	4.3
137.03004	2.0
137.05981	3.3
138.01675	2.6
139.02420	2.7
141.03947	6.3
143.00168	4.1
143.01906	47.9
143.03159	2.7
143.03502	2.8
144.99789	6.5
145.01691	3.7
145.03456	31.7
145.04939	14.0
146.99623	2.7
147.01360	6.4
147.03262	4.0
147.05011	12.3
149.02983	7.6
149.06653	2.4
151.04559	2.9
153.01810	3.6
153.05786	4.3
155.01909	44.0
156.02795	2.7
157.01706	3.6
157.03487	22.4
158.99672	5.3
159.01390	3.6
159.03394	4.2
159.05026	35.8
161.02971	48.9
161.06604	6.4
163.04518	7.2
163.05855	2.0
167.01820	3.0
168.99904	16.4
169.03471	4.6
171.01448	10.3
171.05034	43.3
173.01451	4.2
173.02974	47.7
173.06566	11.5
174.02950	3.4
175.01013	2.5
175.03046	2.9
175.04492	17.0
177.00688	5.8
177.02425	5.5
177.04305	9.4
177.06068	13.4
181.03258	2.8
183.05035	7.4
185.02989	26.3
185.06602	10.9
187.00905	17.6
187.04541	13.6
189.00888	3.0
189.02411	10.9
189.06091	23.7
191.00507	2.9
191.04008	5.5
191.07607	4.6
195.05183	6.2
195.07011	3.0
196.05287	2.3
196.99356	5.2
197.02907	7.5
197.06618	3.7
199.00897	7.7
199.04538	8.6
201.00687	2.9
201.02409	7.1
201.04303	4.3
201.06076	21.2
203.00369	2.7
203.02252	2.0
203.04025	38.7
203.05876	2.3
203.07716	13.5
205.01997	5.1
205.03827	3.4
211.04492	5.2
213.02235	2.3
213.06012	12.3
215.00456	13.9
215.03947	8.6
215.07652	9.3
217.01947	16.7
217.05585	5.0
219.01752	14.5
219.03606	5.2
219.07188	21.4
221.03114	4.5
221.05092	62.3
222.05183	3.4
223.04659	4.5
225.06035	3.7
227.00449	4.5
227.04042	6.1
227.07700	4.0
227.27406	2.5
229.01978	9.1
231.00044	2.6
231.03474	10.3
231.07126	12.8
233.05144	2.8
237.02820	19.4
241.05637	4.0
243.07175	6.9
245.01492	3.0
245.05072	42.9
246.05498	3.4
247.02934	14.4
255.07188	5.7
257.01007	4.8
257.05005	3.8
259.02615	10.8
259.06705	8.6
261.01694	2.9
261.08255	62.9
261.65005	2.8
263.06122	13.1
265.03879	11.1
270.02170	6.1
271.03018	3.0
273.01035	5.2
273.04565	4.8
273.08173	8.1
275.02249	5.8
275.05881	3.2
275.09839	6.2
277.03534	17.2
277.07788	2.4
279.09274	100.0
279.14157	4.4
280.09470	2.7
285.00626	4.1
287.02585	3.5
287.06113	10.8
289.04028	9.1
291.05615	4.4
291.09085	4.1
293.10751	8.4
299.06677	2.2
301.00839	4.8
301.07587	3.2
302.10941	3.0
303.01398	31.5
304.01749	4.9
305.03589	4.0
305.07153	11.1
305.10904	16.9
306.11047	3.4
307.05069	11.2
307.08725	13.8
315.01965	19.2
317.07123	5.5
318.10797	2.6
319.05280	2.8
319.08707	12.9
321.10574	79.3
322.10339	3.2
333.02859	8.2
337.09683	6.8
339.09610	10.2
343.01437	9.1
345.02927	2.8
347.04626	6.1
347.08401	11.0
348.09113	2.6
349.09671	9.5
351.11621	5.1
359.04453	2.9
361.02606	6.8
361.09833	9.2
365.09302	5.3
373.09830	2.4
375.04074	55.2
375.08572	3.7
377.09241	5.7
379.10956	16.8
391.10873	4.1
393.05078	17.4
394.99237	5.7
407.10388	26.5
435.10037	31.7
449.11386	3.2
467.11432	16.1
467.17258	9.1
477.33746	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1894
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
51.02359	0.3
55.01870	1.1
56.96558	0.8
57.03438	0.7
59.05005	0.3
61.02925	0.3
67.05494	0.3
69.03430	3.1
70.32071	0.4
70.32400	0.7
71.04984	0.8
73.02921	0.5
76.55927	0.3
79.01850	1.2
79.05502	0.5
81.03408	0.9
81.07056	0.3
83.04983	0.3
83.69076	0.3
84.04500	0.6
85.02911	2.6
87.04466	0.9
91.05480	0.5
93.07095	0.3
95.04958	0.7
97.02882	1.8
98.03225	0.5
98.10191	0.3
98.97601	2.0
105.07038	0.3
109.02885	0.8
110.97580	0.6
111.04437	0.3
112.03927	0.4
115.03949	1.5
116.04282	0.4
116.98604	0.6
120.08126	0.4
121.02865	0.3
121.06479	0.3
123.04426	3.1
124.04752	0.5
125.02329	0.5
127.02185	0.4
127.03920	2.2
130.05017	2.4
133.04996	1.2
135.04395	0.3
135.61983	0.3
136.07570	0.3
137.06001	0.8
139.03917	2.1
143.03374	1.5
145.04968	0.5
147.04521	0.3
149.02364	0.9
151.03894	0.4
153.01845	26.0
153.02905	1.5
155.01646	0.9
155.03406	0.4
155.07005	1.9
156.07401	1.0
158.99686	0.6
163.03958	0.8
165.05122	0.4
167.07045	0.3
169.09799	0.8
171.05023	0.9
179.07083	0.6
180.07388	1.2
183.01155	0.8
195.02937	0.4
203.05345	0.4
219.01801	1.0
231.06499	0.6
237.02974	1.0
252.09575	0.8
259.06079	0.8
261.13409	0.7
269.09351	0.3
275.08020	0.4
279.05191	0.4
279.14389	5.5
287.05582	0.5
287.12500	2.0
293.09122	2.5
297.05966	0.4
297.15482	1.5
303.03174	0.5
305.06522	1.4
305.12213	1.8
311.38818	0.3
312.05270	0.7
313.13916	0.4
321.10599	0.5
323.13391	5.1
329.08118	2.1
329.12167	0.6
347.13474	5.0
365.14508	3.1
394.26712	0.3
407.12228	2.1
421.16803	0.3
425.13715	0.3
449.18201	2.4
467.18948	100.0
468.19418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44563	2.3
53.03934	2.4
55.05513	16.9
57.03420	4.5
57.07082	30.4
59.04993	2.1
67.05510	87.2
69.07078	21.4
71.05001	4.4
71.08632	21.8
79.05503	10.2
81.03446	2.2
81.07059	39.2
83.08630	16.0
85.06536	4.8
85.10186	9.6
91.05497	13.9
93.07056	21.9
95.04987	2.0
95.08617	51.9
97.10171	7.4
99.11752	2.0
105.07050	32.6
107.08611	36.0
109.10166	73.4
111.08074	4.8
111.11706	3.4
117.07050	3.7
119.08591	53.8
119.66726	2.1
121.10168	32.1
123.11687	10.1
129.06970	2.0
131.08553	13.4
133.10143	38.7
135.11688	12.7
137.09618	3.8
137.13258	5.3
142.07701	2.2
143.08540	9.7
145.10118	22.8
147.11696	15.3
149.13292	11.7
155.08546	2.3
155.10686	2.6
155.79213	2.0
156.09340	3.0
157.10115	14.8
159.11723	13.4
161.13281	19.3
163.11241	2.3
163.14848	14.9
169.10103	4.9
169.31854	2.2
171.11703	12.0
173.11743	19.1
173.13290	15.1
175.11217	2.3
175.13297	3.4
175.14842	55.5
177.09128	2.6
177.16429	16.7
179.14355	4.5
181.12041	2.2
183.11728	3.6
185.13274	6.6
187.14853	14.7
189.12706	3.9
189.16417	25.5
191.18040	2.3
192.39549	2.1
193.15842	5.8
197.13353	2.9
199.14874	11.7
200.12399	1.9
201.16389	30.0
203.14244	3.0
203.17950	5.9
205.15755	2.7
207.17558	2.7
211.14902	3.5
213.12921	2.5
213.16412	20.1
215.14340	3.2
215.17963	8.3
217.15874	6.8
223.14882	2.1
225.16336	3.0
227.17989	15.0
229.19566	7.2
229.29813	2.5
231.13823	3.9
231.17484	8.5
233.15282	3.4
233.18829	2.3
235.16980	3.8
239.17975	3.3
239.23752	7.0
241.19527	5.3
241.82263	2.1
245.19044	2.5
253.19542	4.5
254.61377	2.3
255.21101	4.6
259.16937	4.7
261.18484	3.3
267.21088	4.7
273.18671	7.9
287.20221	4.7
299.19974	2.5
313.21732	3.3
315.10999	2.9
331.60953	2.1
389.32153	15.1
407.33148	32.8
421.30920	3.3
442.22202	2.5
449.28647	2.8
449.34283	26.9
465.71439	2.5
467.37405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05518	11.5
57.03436	2.2
57.07082	26.1
59.05006	2.6
65.03966	1.9
67.05508	78.4
69.03427	1.2
69.07069	8.6
69.33481	7.9
71.04990	1.9
71.08633	18.0
79.05499	2.7
81.07066	26.6
83.08622	13.8
85.06556	3.1
85.10187	11.2
88.84075	0.8
90.53683	0.8
91.05484	10.0
93.07061	4.8
95.08611	21.1
97.10168	3.4
105.07037	3.5
107.08599	3.6
109.10162	59.9
111.08104	2.7
119.08577	5.9
121.10118	2.2
123.11724	5.8
133.10135	14.0
135.11729	1.2
137.09657	2.5
137.13275	2.3
138.93095	1.0
145.10204	1.2
147.08026	1.7
155.10696	3.1
173.11777	16.0
173.13268	1.3
175.14793	1.5
187.14877	1.1
199.14838	1.0
239.23647	8.1
313.27444	3.0
421.30753	1.2
463.21216	1.1
467.31580	6.5
467.37335	100.0
468.37488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.3
57.03414	1.6
57.07076	30.8
59.04987	4.4
60.39015	1.3
65.03941	3.7
67.05507	91.3
69.03458	1.2
69.07072	9.4
69.11356	1.3
71.05006	2.3
71.08633	21.4
79.05482	3.6
81.07059	25.7
83.08620	13.4
85.06563	2.6
85.10185	11.0
88.45156	1.2
89.06047	2.2
91.05483	7.0
92.22641	1.5
93.07047	2.7
95.08604	24.8
95.45310	1.3
97.10186	3.6
98.32999	1.1
99.11702	1.4
105.07034	3.1
107.08611	4.7
109.10160	62.5
111.08059	2.7
111.11727	1.4
119.08589	9.6
121.10213	2.0
123.11740	3.8
123.27897	1.3
133.10147	3.4
134.59851	1.2
137.09610	2.3
137.13301	2.7
147.11617	1.3
149.42067	1.1
151.14835	1.3
153.22469	1.1
155.10690	4.4
173.11749	21.0
173.13177	2.3
175.14914	2.9
179.21802	1.2
189.16428	2.9
203.14394	1.6
239.23730	6.9
249.26930	1.5
260.07642	1.2
313.27347	2.0
449.30637	1.7
467.37411	100.0
468.37994	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.5
57.03421	1.0
57.07082	27.6
59.04996	3.1
65.03939	1.5
67.05509	82.3
69.07079	7.5
70.68943	2.0
71.04991	1.7
71.08635	18.5
79.05485	2.9
81.07061	23.2
83.08622	13.1
85.06535	2.9
85.10186	9.3
89.06020	0.8
91.05482	5.2
93.07072	4.4
95.04974	0.7
95.08613	23.0
97.10193	4.4
99.11711	1.0
99.73171	0.7
101.39613	0.7
105.07011	1.4
107.08584	3.0
109.10162	64.1
111.08077	3.3
111.11706	1.8
119.08585	5.1
123.11678	3.6
127.33166	0.7
131.08571	0.6
135.11676	0.9
137.09596	3.7
137.13306	1.6
147.08099	0.9
149.84082	0.7
155.10622	3.6
157.10139	0.9
159.11690	1.3
172.04796	0.8
173.11763	20.6
173.13123	0.8
175.14760	0.7
214.80194	0.7
221.22643	1.1
239.23672	7.5
269.12375	0.8
421.31378	0.9
467.37408	100.0
468.37833	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	468.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03414	0.3
55.45638	0.4
58.71204	0.4
59.84304	0.4
62.30056	0.3
69.03432	0.5
69.72002	0.7
69.72404	1.9
71.05027	0.4
76.15609	0.4
80.02412	0.9
80.10266	0.4
81.03177	0.7
82.02685	0.6
85.02897	0.9
98.21507	0.5
98.97638	0.5
109.02870	0.4
109.25792	0.4
110.52543	0.4
121.05037	0.4
122.05804	5.1
123.04429	0.8
138.05261	0.5
139.06041	1.6
153.01855	1.3
162.02838	0.7
166.04832	0.4
169.04762	1.0
171.05020	0.7
184.05849	4.7
226.06889	2.3
256.07922	0.7
286.09216	0.4
290.61932	0.4
298.09357	0.4
312.10538	2.7
328.09946	3.8
360.41745	0.4
438.13382	0.7
450.13623	0.5
453.12558	0.4
468.14825	100.0
469.15475	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1343
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.03938	0.8
55.01879	0.5
57.03428	1.1
61.02934	1.7
67.01852	1.8
68.99790	2.0
69.03430	5.0
70.33407	1.1
71.05000	0.8
73.02895	0.9
76.81903	0.3
79.05482	0.4
81.03423	3.1
83.01340	0.4
85.02910	10.6
87.04465	1.0
87.67048	0.4
91.03955	0.6
91.05472	0.9
94.06532	0.3
95.04956	0.4
97.02888	4.6
99.04453	1.2
105.03418	0.6
107.04968	0.7
109.02866	2.5
109.06518	0.3
110.06024	0.4
111.04469	0.3
115.03960	0.5
119.04935	2.7
123.04433	37.2
124.04742	0.3
125.02375	0.5
127.03926	4.6
135.04428	1.0
137.02341	2.3
137.05949	1.0
139.03914	3.6
140.07085	0.4
143.03474	0.8
145.04970	1.8
147.04419	11.6
149.02431	0.5
149.05884	0.4
151.03941	0.6
153.01833	1.3
153.05458	0.5
155.03397	100.0
156.03720	0.4
161.06044	0.5
163.03946	0.9
165.05489	11.3
167.03375	0.7
175.03680	0.3
178.05307	0.4
178.08820	0.3
179.03404	0.7
185.04413	0.6
187.07579	0.5
197.04420	0.8
215.07042	0.4
215.11931	0.5
219.07513	0.3
271.06088	0.7
271.10864	0.4
281.14334	1.0
284.19220	0.3
289.07074	4.1
289.11865	3.1
307.08139	24.2
307.12759	4.2
308.08591	0.5
317.08694	0.6
325.13220	0.7
349.13113	0.7
367.14160	0.4
434.41415	0.3
451.11429	0.4
451.17215	0.5
469.12924	1.2
469.19269	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	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62948	0.3
55.01866	1.0
57.03436	0.6
58.40776	0.3
61.02918	0.5
67.05511	0.4
69.03426	1.9
69.07069	0.4
70.65229	0.8
73.02921	0.5
79.05468	0.5
81.03404	1.1
83.04995	0.3
85.02899	2.9
85.08887	0.3
86.34042	0.3
91.05479	0.5
93.07049	0.6
95.04978	0.3
97.02888	0.9
98.97581	0.7
99.04491	0.5
106.02924	0.3
107.08570	0.5
108.04464	0.5
109.02872	0.8
119.04990	0.5
122.06044	0.8
123.04433	2.5
124.07586	0.3
127.03889	0.9
131.08582	0.3
133.06549	0.4
135.08086	1.4
136.07550	0.5
137.06018	1.5
138.05482	0.5
139.03848	0.6
140.07008	1.7
147.04449	0.8
148.07582	0.4
150.05493	0.6
151.67192	0.3
152.06964	0.4
160.07539	0.7
161.05959	0.5
163.03905	0.5
163.08672	0.7
166.05064	0.3
168.06602	1.6
170.09706	0.4
174.09158	1.3
177.10275	0.5
178.08635	15.4
182.08121	0.4
184.07582	0.5
187.08820	0.5
188.07076	2.0
188.10776	0.5
191.08197	0.5
193.09766	0.4
197.10574	0.3
198.09181	0.6
201.10306	1.6
202.08644	3.7
204.10164	0.4
205.09789	2.7
206.08142	2.7
212.07124	0.4
215.11771	0.4
216.10356	1.8
217.07053	0.3
219.11304	3.9
220.09708	1.1
226.08627	1.0
229.09752	3.1
230.08144	2.2
230.10187	0.4
243.11395	1.1
244.09735	2.2
247.08214	0.6
247.10793	13.0
248.09157	0.7
251.07370	0.3
261.12253	0.9
262.10724	1.1
265.11829	10.4
271.10901	1.4
272.09247	1.9
289.11823	12.0
289.14893	0.5
290.10233	0.9
307.12881	100.0
308.13257	1.0
368.43359	0.3
409.16028	1.3
433.15613	0.3
451.17142	9.8
451.23294	0.7
469.18182	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	469.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
53.36451	0.7
55.01871	2.6
57.03444	1.6
61.02916	1.1
67.05500	1.1
69.03440	5.9
69.07054	0.9
70.05139	1.9
70.06644	0.7
71.05002	1.9
73.02914	0.9
78.63088	0.7
79.05470	1.3
81.03414	3.5
81.07050	0.9
81.96234	0.6
83.04967	1.0
85.02908	7.6
87.04438	1.2
91.05463	1.1
93.07039	1.5
95.04974	1.2
97.02895	6.2
98.06037	1.5
98.97583	1.7
99.04469	0.9
100.17620	0.7
107.08591	2.8
108.04474	1.4
109.02886	2.5
109.10172	1.0
110.06081	1.1
115.05461	0.7
119.04978	1.0
122.06060	2.8
123.04427	4.2
124.07608	2.5
127.03949	2.5
135.08064	4.9
135.13452	0.8
136.07588	1.7
137.06015	2.9
139.03891	1.8
140.07097	2.4
145.05003	1.2
147.04420	1.1
150.05482	0.8
151.03915	0.9
152.07076	0.7
153.01868	2.5
160.07568	1.9
161.04530	0.9
161.05948	0.9
163.03944	1.1
163.08693	1.2
165.05499	0.8
166.04900	1.0
168.06552	2.7
174.09154	1.8
176.07092	1.1
176.10712	1.2
177.10271	1.7
178.08656	43.3
180.06602	0.8
187.08656	1.5
188.07079	2.8
191.08287	0.9
198.09157	0.8
201.10263	2.7
202.08667	6.8
204.10289	1.8
205.09824	5.6
206.08160	9.5
216.10297	2.0
216.66483	0.7
217.09630	0.8
219.07785	1.1
219.11340	5.7
220.09612	1.5
226.08691	1.4
229.09752	4.9
230.08174	3.3
243.11336	1.6
244.09709	3.1
247.10805	26.7
253.10149	0.9
261.12393	1.8
262.10739	1.1
265.11880	16.4
271.10806	2.9
272.09158	2.0
289.11865	21.9
289.15015	1.2
290.10172	1.0
307.12918	100.0
308.13275	1.1
349.13779	0.8
409.16074	8.4
425.14200	1.9
433.16003	2.1
446.36682	0.7
451.17157	57.9
452.17368	0.7
458.12689	0.8
469.12936	7.6
469.18216	19.5
483.03531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
56.96554	0.7
57.03431	1.1
67.05498	0.5
69.03423	2.0
70.05029	0.9
70.05431	1.7
71.04988	0.5
79.05483	0.9
81.03419	1.3
85.02914	3.8
89.36553	0.6
93.07057	0.7
94.06634	0.5
97.02907	1.9
98.97586	0.5
99.04441	0.7
107.04927	0.7
107.08566	0.8
108.04442	0.8
108.08147	0.5
109.02928	0.7
119.04980	0.7
122.06046	2.0
123.04459	1.8
127.03918	1.1
135.08101	2.7
136.07571	0.6
137.05983	1.4
138.05435	0.7
138.09094	0.6
139.03915	0.8
140.07068	2.1
147.04462	0.8
152.07137	0.6
153.01839	0.9
160.07570	0.7
163.03929	0.9
163.08701	1.2
164.07025	0.6
166.02679	0.5
168.06592	1.9
174.09171	1.6
176.10728	0.6
177.10281	1.1
178.08646	21.2
179.07112	0.8
181.79662	0.5
184.07581	0.5
188.07120	2.0
191.08156	0.9
198.09154	0.7
201.10289	1.7
202.08626	3.5
205.09848	2.5
206.08173	4.6
212.06970	0.6
216.10182	1.4
219.11299	2.9
220.09660	1.7
226.08682	0.9
229.09799	4.1
230.08109	2.7
243.11313	1.0
244.09724	2.5
245.08136	0.6
247.10799	17.2
248.09268	0.8
254.08064	0.9
261.12329	1.1
262.10797	1.3
265.11859	12.2
271.10822	1.9
272.09171	1.8
289.11865	13.9
289.15030	0.8
307.12909	100.0
308.13043	1.2
401.59155	0.5
409.15967	2.2
433.16171	0.5
451.17188	18.0
469.18173	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	0.8
55.05505	4.2
56.96565	1.5
57.07094	1.4
67.05495	6.8
68.29754	0.7
69.03433	0.8
69.07079	6.4
69.77689	3.7
79.05491	5.1
81.03419	0.8
81.07061	10.9
83.04996	2.1
83.08630	2.1
91.05486	6.4
93.07056	12.5
95.04975	1.4
95.08615	17.9
97.06535	1.9
97.10156	1.2
97.12736	0.8
98.20850	1.4
99.08121	1.2
105.07042	10.7
107.08605	17.1
107.09300	1.1
109.06525	2.2
109.10162	7.5
111.08044	0.9
117.07032	2.6
119.08591	17.5
119.09370	1.5
121.06531	1.4
121.10149	13.0
123.08099	2.6
123.11711	4.9
125.09667	1.4
129.06979	0.8
131.08580	7.9
133.09218	1.5
133.10130	11.3
135.08086	1.5
135.11710	10.0
137.09621	1.6
137.13258	1.0
139.07617	0.9
139.11214	0.8
143.08591	3.4
144.05319	0.9
145.10114	8.6
147.08054	1.5
147.11734	7.4
149.06175	1.0
149.09622	1.0
149.13260	5.4
151.11195	1.0
155.08531	2.1
157.10138	5.5
158.10939	0.9
159.11720	6.3
161.09665	2.9
161.13286	7.1
163.11252	0.9
163.14865	5.7
165.12750	1.0
169.10141	2.2
171.11710	5.2
173.09671	2.1
173.13292	9.0
175.11287	2.0
175.14842	13.5
177.16434	1.9
179.14297	1.2
181.10078	0.9
183.11737	3.3
185.09613	1.4
185.13264	4.1
187.11220	1.5
187.14842	8.2
189.12819	1.6
189.16393	6.6
191.14384	1.8
191.18031	1.6
193.15977	0.8
195.11729	1.8
197.13298	2.3
199.11241	0.9
199.14874	3.4
201.12802	2.3
201.16360	4.9
203.14374	2.2
203.17920	1.8
207.11798	1.1
207.17548	1.2
209.13342	1.7
211.14868	3.0
213.12848	1.6
213.16447	3.5
215.14305	3.8
215.17979	1.9
217.15906	2.5
221.13278	1.3
221.15402	2.3
223.14943	1.6
225.16446	2.8
227.14337	1.1
227.18044	2.6
229.15939	1.5
229.19608	1.1
231.17523	2.1
233.15417	2.2
235.17104	0.9
237.16350	1.1
239.18019	2.3
241.19531	2.1
243.17545	1.4
249.14853	1.2
251.17984	2.6
253.19611	2.2
255.17540	1.4
255.21141	1.3
257.19174	1.3
265.19580	1.1
269.19061	2.6
271.17087	1.4
271.20596	1.1
275.20197	0.9
283.20718	2.0
297.18652	1.0
307.19223	2.1
315.19629	1.8
331.16034	1.0
349.16986	1.6
356.14825	1.0
356.65042	1.2
377.32278	1.1
387.30386	2.5
405.31635	8.8
423.32678	19.6
433.31088	5.2
441.33752	4.5
451.32205	14.6
469.33231	100.0
470.33368	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
55.05524	3.6
56.96574	1.0
57.03436	1.0
57.07054	1.9
65.03927	1.3
67.05499	5.0
68.51895	0.7
69.03406	1.7
69.07066	6.0
69.37939	6.1
69.95335	0.8
71.04996	0.9
73.02914	0.7
79.05495	4.6
81.07062	11.7
83.04977	1.9
83.08613	2.4
85.06547	0.9
91.05489	6.1
93.07046	13.6
95.04954	1.6
95.08612	18.2
97.06533	1.6
97.10168	1.4
99.93200	0.7
105.07035	12.8
107.04975	1.2
107.08589	17.6
109.06514	2.5
109.10148	8.4
111.08070	1.2
115.05500	0.7
117.07023	1.8
119.08582	20.9
121.06532	1.0
121.10148	13.9
123.08077	2.1
123.11751	5.6
125.06059	0.9
129.07007	1.5
131.08574	9.2
133.10121	13.4
135.08086	2.1
135.11702	11.0
137.09608	1.4
137.13252	2.1
139.07553	0.8
143.08595	2.9
145.10115	9.3
147.08051	1.4
147.11691	7.9
149.09639	1.8
149.13237	5.0
151.07574	1.0
153.09116	1.1
156.09334	0.9
157.10127	5.3
158.10956	1.3
159.08075	1.2
159.11687	6.6
161.09654	3.0
161.13255	8.2
163.11206	1.7
163.14795	8.4
167.08499	1.1
169.10173	2.3
171.11696	5.0
173.13274	9.3
173.14661	1.0
175.11238	2.0
175.14836	17.2
177.16402	2.9
179.14308	0.8
181.10133	1.1
182.10924	1.1
183.11728	3.5
185.09669	1.4
185.13319	3.4
187.11229	2.1
187.14841	9.6
189.12766	1.0
189.16339	7.0
191.14368	2.0
191.17934	1.3
193.15945	1.8
195.11667	1.8
197.13335	2.4
199.11218	2.3
199.14868	2.6
201.12811	4.4
201.16371	3.8
203.14351	3.1
203.17995	2.3
205.15891	1.4
207.13898	0.8
207.17435	1.4
209.13322	2.6
211.14909	1.8
213.12813	2.0
213.16408	4.3
215.14407	3.5
215.18004	2.5
217.12273	1.1
217.15932	2.0
217.19505	0.8
221.15456	2.8
223.14870	1.9
225.16406	2.1
227.14340	1.0
227.18002	2.8
229.15903	2.2
229.19601	1.6
231.17493	2.5
233.15390	1.9
235.17001	1.5
237.16508	1.4
239.18007	1.9
241.19588	3.2
247.17062	1.0
249.14790	1.8
251.18034	1.9
253.19608	2.3
255.17548	2.6
255.21085	1.0
257.19061	1.7
261.14856	1.0
269.19061	4.3
271.20624	1.0
273.18539	1.8
281.19360	1.0
281.22476	1.0
283.20599	2.3
285.18655	1.4
287.20261	1.0
307.19217	2.5
311.19806	0.9
315.19617	2.1
349.16980	1.7
350.17493	1.0
353.24719	1.2
367.26572	1.4
387.30637	2.6
405.31604	9.4
423.32687	22.7
433.31073	6.0
441.33490	3.8
451.32184	16.9
469.33249	100.0
470.33310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
50.17903	0.4
53.03942	0.6
55.05519	2.8
56.96572	0.8
57.03428	0.5
57.07077	0.8
57.93061	0.4
59.05002	0.4
61.02931	1.2
67.05515	3.7
69.03433	0.7
69.07078	2.5
71.04993	0.8
73.02940	0.7
79.05504	1.8
81.07067	5.3
83.04993	2.6
83.08629	1.3
83.68714	0.4
85.02917	1.3
91.03979	0.4
91.05499	2.1
93.07060	4.4
95.04995	0.9
95.08620	15.8
96.14513	0.4
97.02892	0.9
97.06533	1.4
97.10201	0.7
98.21490	1.3
98.97579	0.4
99.08129	0.6
105.07037	7.1
107.08603	6.4
109.06548	1.2
109.10160	5.2
111.08076	0.8
117.07039	1.0
119.08591	12.1
121.06516	1.0
121.10161	5.9
123.08080	1.8
123.11720	3.1
127.03876	0.5
129.06995	0.8
131.08603	3.9
133.10146	6.7
134.98227	0.6
135.08075	0.9
135.11687	4.0
137.09686	0.5
139.07603	0.6
141.07028	0.7
143.08571	1.7
145.10126	5.1
147.08112	1.0
147.11708	5.4
149.09648	1.6
149.13255	2.7
151.11250	0.9
153.09129	1.0
155.08586	1.5
157.10139	3.6
159.08076	0.8
159.10536	0.6
159.11688	3.0
161.09663	1.7
161.13275	2.1
163.11247	1.7
163.14867	2.5
165.09213	0.5
169.10173	1.4
171.11700	2.3
173.09717	0.7
173.13268	4.4
175.11252	1.5
175.14845	6.9
177.12813	1.8
177.16437	1.7
183.11732	1.4
185.13310	1.6
187.11197	0.4
187.14839	5.5
189.12738	1.1
189.16406	13.4
191.14345	1.3
191.17996	1.0
193.15904	1.0
197.13307	2.6
199.14822	3.8
201.12785	0.7
201.16444	1.5
203.14459	0.7
205.15907	3.0
207.17476	1.4
209.13298	0.7
211.14865	1.1
213.08141	0.4
213.16454	1.4
215.14333	3.4
215.17963	0.5
217.07314	0.5
217.15878	6.3
221.15430	0.5
225.16347	1.1
227.18004	1.6
229.15907	1.2
231.17508	1.2
233.15364	4.2
235.16956	2.3
241.07565	1.0
241.19577	0.8
243.09152	0.9
243.17458	0.6
243.21146	0.6
245.19145	1.2
251.08833	0.5
253.17049	0.4
253.19409	2.2
255.17516	0.5
257.18985	0.7
259.08575	1.9
261.14932	0.7
271.20581	4.8
283.08521	0.6
285.22220	0.6
288.10635	0.5
296.10394	1.1
301.09637	1.3
302.10190	0.7
311.10828	1.9
313.27444	1.0
317.21213	0.8
319.24045	0.5
332.11298	2.4
357.24268	0.6
358.20166	0.6
405.31454	4.3
411.29108	0.7
423.32669	13.8
433.31134	1.3
439.22958	0.7
441.33847	0.5
451.32083	9.5
469.33218	100.0
470.33212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03938	2.4
55.05517	8.4
56.43827	1.8
57.03432	2.2
57.07059	1.8
67.05508	11.2
69.03452	1.5
69.07062	15.0
70.08954	7.7
79.05492	9.0
81.07072	21.6
83.04993	1.7
83.08623	6.7
91.05468	9.2
93.07037	22.0
95.08611	36.5
97.06535	3.4
97.10194	2.6
105.07040	31.0
107.08600	38.6
109.06548	2.3
109.10155	18.6
110.44715	2.0
111.08057	2.8
117.07007	6.2
119.08587	57.7
121.06537	2.4
121.10155	29.3
123.08101	3.8
123.11709	8.9
125.06016	2.3
129.07002	4.6
131.08582	14.9
133.10136	26.7
135.11681	15.5
137.09645	3.3
137.13260	2.6
142.07823	4.0
143.08568	10.9
145.10130	27.5
147.08058	3.8
147.11687	21.3
149.09674	2.3
149.13246	14.0
151.11188	2.3
155.08574	4.7
156.09369	3.9
156.90442	1.7
157.10144	17.3
159.08069	2.8
159.11700	23.1
161.09639	7.7
161.13258	15.0
163.11256	2.5
163.14824	35.0
165.12747	3.9
167.10693	2.1
169.10201	8.1
170.10947	2.5
171.11705	17.3
173.09677	2.5
173.13252	21.8
175.11218	4.9
175.14836	29.4
177.12775	2.6
177.16457	8.4
179.14346	2.3
181.10172	2.2
183.11705	6.0
184.12456	2.4
185.13261	9.4
187.14844	28.8
189.16382	11.3
190.23009	1.8
191.14325	2.4
193.15996	3.3
195.11823	2.8
196.12566	1.6
197.13248	8.6
198.14032	2.2
199.11131	2.0
199.14848	10.9
201.12790	5.0
201.16354	18.2
203.14331	6.9
203.17992	6.0
205.15964	2.8
209.13304	4.3
211.14891	5.1
213.12880	2.2
213.16331	9.7
215.14388	3.6
215.17941	9.0
217.15933	4.9
221.13383	2.2
221.15367	3.7
223.14870	3.1
225.16371	4.0
227.18002	6.3
229.15906	6.4
231.17529	4.0
233.15430	3.1
235.14795	3.3
235.16914	21.3
237.16489	4.4
239.14334	2.0
239.17966	6.2
241.19496	3.5
243.17491	3.0
247.17035	6.3
249.18538	4.4
251.18008	2.7
253.19641	3.7
255.17546	3.6
255.21017	1.7
257.19162	3.9
267.17722	2.1
269.19095	5.3
275.20218	6.9
283.20679	3.2
287.19958	2.0
307.19223	4.0
324.17941	1.9
327.22797	1.8
331.23660	2.2
368.92664	2.2
377.32391	2.1
383.29550	2.2
387.30435	9.2
395.29303	3.1
401.46756	1.8
405.31570	29.7
419.93423	1.7
423.32617	50.9
433.31085	23.1
441.33694	3.9
451.32181	40.9
469.33221	100.0
482.45920	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	470.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01879	5.5
55.05519	7.9
56.96545	0.7
57.03194	0.8
57.03444	10.1
57.07069	1.6
59.04991	2.1
61.02938	4.3
65.54229	0.5
67.05512	18.3
69.03436	10.1
69.07056	2.0
70.03744	0.5
71.01349	2.2
71.05006	3.6
73.02924	13.5
79.05485	2.0
79.64315	0.5
81.03410	2.1
81.07065	39.7
82.07395	0.6
83.08624	3.9
85.02914	26.6
85.06535	1.6
87.04465	2.2
91.03961	1.2
93.07041	1.3
95.04983	1.0
95.08617	3.3
97.02901	13.9
97.10192	2.4
98.21568	0.8
98.97579	0.8
99.04468	1.3
99.08076	0.7
103.03931	1.4
105.07031	1.1
107.08587	1.1
109.02882	2.0
109.10177	0.8
115.03945	9.0
116.43425	0.5
119.08636	1.2
120.08901	0.5
121.10163	0.9
121.67027	0.5
123.08108	0.5
123.10835	0.7
123.11729	13.0
124.07603	0.8
124.49435	0.5
126.09211	0.5
127.03926	8.1
131.08585	1.0
132.06558	1.3
133.04977	14.8
135.11713	0.5
137.06062	0.8
138.10075	0.5
141.12732	0.9
145.04973	10.4
145.10150	1.1
147.04402	0.8
150.07611	2.1
159.13818	100.0
163.06018	3.3
165.09097	0.8
175.15071	0.6
177.05449	0.9
193.04959	0.5
199.05945	0.7
223.06027	1.3
223.59888	0.5
232.85783	0.6
237.22446	0.6
241.07179	1.7
255.15921	1.2
259.08115	1.6
273.16830	2.7
277.09232	0.6
308.13446	2.4
314.42007	0.5
336.67798	0.6
434.17203	2.5
452.18167	4.6
452.32584	0.7
470.19165	7.6
470.33569	1.3
471.21924	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	471.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50023	0.7
60.16280	0.7
71.13275	1.6
85.02892	1.6
97.02869	0.9
119.01880	1.8
120.99207	0.6
127.03917	1.2
134.93567	0.8
135.27655	0.7
135.60669	0.7
140.31705	0.7
143.01912	1.6
145.03523	0.8
145.04968	1.0
155.01935	1.0
168.21710	0.8
173.02925	1.6
185.02968	1.2
221.05080	1.0
229.03217	11.6
245.05060	2.0
247.04283	100.0
337.09625	1.1
368.32532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28058	0.8
58.49257	0.9
69.03397	1.8
71.52912	1.1
71.53290	1.0
81.03383	1.5
81.07027	1.1
84.96010	1.0
85.02872	3.2
97.02851	1.1
98.97569	2.1
110.06013	0.9
110.97551	0.9
123.04430	1.2
127.03865	1.4
139.03786	2.7
140.07019	1.6
143.55309	0.8
147.04405	1.3
152.07022	1.4
153.01859	8.7
157.04706	7.5
206.08009	1.1
208.09576	1.3
214.04526	1.1
237.02782	1.7
263.03827	1.2
277.03253	2.1
278.81714	0.9
291.13242	2.8
303.01187	2.4
309.14255	3.3
337.05206	4.5
355.06192	3.9
409.10706	3.3
425.10461	14.1
443.10037	0.9
453.09592	1.2
471.10663	100.0
472.11310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.96548	0.7
57.03418	0.7
61.02898	0.5
67.05507	2.0
69.03419	1.8
69.26181	2.8
70.06583	0.7
71.05000	4.7
72.08152	2.4
79.05486	0.6
81.03407	0.6
81.07063	3.8
85.02912	3.3
85.06530	1.6
91.05448	0.6
93.07033	0.5
97.02867	1.4
98.04263	0.4
98.97582	1.8
109.02869	0.6
110.06017	0.5
119.04969	0.5
121.02849	0.4
121.06474	0.5
123.04412	1.4
123.11716	0.9
127.03829	0.7
136.07582	0.8
137.05943	1.1
139.03885	1.1
141.12740	6.0
145.05003	0.4
146.99652	0.4
147.04370	2.0
150.05528	0.4
152.07101	0.9
153.01816	1.5
154.08673	0.9
159.13789	3.6
161.06046	0.6
163.03882	0.5
165.05420	0.5
176.04517	0.5
177.14857	4.5
203.03435	2.1
219.01743	0.8
231.11095	0.4
237.02892	0.8
249.12172	0.4
255.11659	0.4
261.02847	0.4
291.05057	0.3
291.13336	2.4
302.10199	1.2
309.14551	3.2
313.57632	0.3
319.12747	0.8
339.10580	0.4
355.08005	0.4
454.14926	1.6
456.12363	0.5
471.14676	100.0
472.15073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
67.05525	0.2
69.03439	0.2
69.07076	0.4
71.04989	0.2
71.52951	0.2
75.25336	0.2
83.01096	0.9
84.01905	0.2
85.02913	0.4
88.89371	0.2
95.01105	1.5
96.01891	0.7
98.97607	0.3
111.00609	0.2
111.04313	0.2
111.08108	0.2
112.01365	0.7
112.07629	0.2
113.02135	2.5
119.08568	0.2
126.02916	0.3
137.05989	0.2
138.09158	0.3
139.03824	0.3
141.05208	0.4
153.01819	0.3
156.10217	0.4
157.04776	0.7
157.10530	0.2
161.05957	0.2
162.05576	0.3
167.03160	0.4
185.04207	3.5
185.05745	0.2
186.04352	0.2
189.05258	1.3
201.03709	0.9
202.04469	0.2
203.05307	1.0
212.00006	0.2
219.06320	2.1
223.06133	0.2
223.38306	0.2
227.10187	0.2
234.08646	14.4
235.09491	0.9
243.08356	0.4
257.54572	0.2
259.07889	2.3
277.10547	1.8
280.10754	0.2
309.13104	0.6
315.35959	0.2
348.29559	0.2
396.14053	0.7
440.16354	0.5
441.17374	1.7
471.18427	100.0
472.18741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01924	0.4
55.05523	1.6
56.96579	2.3
57.03449	1.4
60.84331	0.4
61.02934	0.6
65.03936	0.5
67.05521	1.8
69.03436	2.3
69.07087	1.8
70.06611	1.9
71.05001	5.0
71.09509	0.8
71.09850	0.5
73.02920	0.7
74.79443	0.4
78.52392	0.4
79.05516	1.7
81.03418	2.1
81.07068	3.7
83.05002	1.7
83.08631	0.5
84.96062	0.9
85.02921	8.7
87.04493	0.7
91.05492	6.4
93.07053	2.7
95.05004	1.2
95.08630	3.2
97.02874	2.0
97.06566	0.9
97.10210	0.6
98.97596	5.2
98.98253	0.5
98.98523	0.4
99.04463	0.8
103.05468	0.5
105.07039	2.5
107.05013	0.7
107.08610	3.1
109.02916	1.2
109.06554	0.5
109.10183	2.5
110.97652	1.2
111.04514	0.6
111.08089	0.6
112.07632	1.0
112.99205	0.5
115.05520	0.5
116.98687	1.3
117.07060	0.6
119.04962	10.8
119.05764	0.7
119.08629	1.8
121.06541	0.9
121.10134	2.3
123.04482	0.7
123.08105	1.1
123.11721	1.0
125.09626	0.8
127.03960	1.5
128.98643	1.0
129.05534	1.1
131.08597	0.7
133.10149	2.3
134.99648	0.5
135.08131	0.8
135.11742	1.7
136.99191	0.4
137.06052	1.4
137.09665	1.4
137.13402	0.5
140.07047	1.0
141.07484	0.7
143.00233	1.3
143.08687	1.1
145.06548	0.4
145.10205	1.7
147.04428	51.1
147.11784	1.5
148.04829	1.8
149.13190	0.8
151.07613	0.9
157.10207	0.9
158.99756	1.9
159.08086	0.8
159.11694	0.8
161.01230	0.5
161.06055	0.7
161.09674	0.8
161.13383	0.7
163.03957	0.5
165.09106	2.1
167.00293	0.4
167.07179	0.5
170.99660	0.5
171.11699	0.7
173.13322	1.0
175.11337	0.7
177.00818	1.3
177.05594	1.0
183.04323	0.6
185.13350	0.7
187.14960	0.6
189.12863	0.8
191.07111	0.4
191.18155	0.4
194.99605	0.7
197.13539	0.4
199.11165	0.6
199.14896	0.7
201.00812	0.8
203.02332	0.7
203.05368	2.1
203.14343	0.5
207.17566	0.5
213.00703	0.6
217.12398	1.8
219.01805	2.3
223.13362	1.0
223.17195	0.5
231.06668	0.7
235.13460	0.8
237.02808	2.4
239.02448	1.5
255.05374	0.6
264.05923	0.9
273.18692	0.6
275.07468	1.0
285.02859	0.6
287.05603	2.9
291.08762	0.8
291.19708	0.9
309.10052	0.8
309.20541	0.4
309.24054	0.5
317.03381	0.4
317.04752	0.6
317.08429	5.6
328.08264	2.0
335.09515	44.6
343.01596	1.5
347.06418	0.4
361.02298	5.9
361.05927	0.5
362.03250	0.5
379.03687	1.2
389.07468	1.6
398.07822	1.0
403.03784	1.0
425.30814	0.8
427.19907	0.5
471.22269	100.0
472.22589	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	471.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01871	4.6
55.05495	8.7
56.78231	2.1
56.96565	5.7
57.03435	4.1
57.07069	4.8
59.04983	3.2
67.05514	32.2
67.81470	2.2
69.03434	13.6
69.07060	2.6
70.06566	3.4
71.04997	82.5
71.54481	2.2
71.54866	2.1
72.08157	50.8
73.02907	3.7
79.05482	4.1
81.03396	5.8
81.07061	65.4
84.26509	2.1
85.02908	23.5
85.06551	18.6
87.04463	5.1
89.10789	4.1
91.05481	2.7
93.07035	4.3
95.04935	3.2
95.08596	6.9
96.04498	2.7
97.02892	13.3
97.06561	2.7
98.97587	14.4
99.04453	2.5
103.05405	2.2
105.07010	2.6
109.02882	3.7
110.06046	8.4
110.90491	2.1
110.97554	6.0
111.04447	2.5
111.22464	2.5
115.03942	5.1
116.98625	4.9
119.04991	2.6
119.08566	2.7
121.02868	4.4
121.06550	3.0
122.06040	3.7
123.04432	17.2
123.11716	18.5
124.04774	3.6
124.07596	4.2
127.03905	8.0
128.98599	6.0
129.09079	2.1
130.06645	2.4
133.04921	2.7
133.06511	4.4
135.04587	2.0
136.07578	17.3
137.05957	6.6
138.05487	9.7
139.03900	9.6
140.04240	2.7
140.07053	5.5
141.12746	100.0
141.13853	5.0
145.04922	2.7
146.99609	2.5
147.04434	16.0
151.07513	2.6
152.07053	3.6
153.01839	21.3
154.02200	2.5
154.08617	24.7
156.06602	5.4
159.13821	52.3
161.05981	6.7
163.03893	3.5
163.13319	2.3
165.05476	2.9
167.07068	3.2
175.03909	4.4
177.14874	79.1
181.05046	2.9
192.03943	5.2
201.00758	2.2
203.03407	40.4
205.05014	2.5
215.03340	3.6
219.01787	10.6
223.05917	2.4
230.04468	3.1
231.02856	5.0
237.02800	10.4
255.11319	2.2
273.12320	4.2
274.10654	2.8
291.08371	2.3
291.13443	10.2
292.09012	3.5
292.11948	3.0
302.10162	17.0
309.14484	36.5
313.92514	2.4
319.12912	15.5
327.39240	2.2
337.06979	5.8
339.19891	4.5
355.08072	5.9
411.09796	2.6
429.10776	4.5
436.13440	2.8
453.18289	3.2
454.14871	19.7
471.14264	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05519	13.6
57.07064	5.6
67.05508	18.2
69.07076	22.1
69.65354	6.2
69.65760	5.7
79.05495	13.5
80.85657	2.0
81.06586	3.0
81.07061	40.0
83.04992	4.9
83.08614	11.6
85.06537	4.3
91.05470	10.7
93.07050	28.2
95.04975	1.8
95.08620	60.3
95.81321	2.2
97.06528	7.5
97.10166	8.0
98.21404	3.0
99.04455	4.8
101.06023	2.8
105.07039	29.3
107.08601	52.6
109.06544	4.7
109.10161	38.0
111.08089	2.7
117.07034	5.0
119.08591	43.8
120.47596	2.0
121.10143	46.2
123.08076	5.5
123.11707	22.7
131.08585	17.7
133.10139	33.1
133.69812	2.2
134.98183	6.1
135.08028	6.7
135.11708	23.9
137.09647	2.7
137.13245	8.1
143.08554	6.3
145.10133	29.9
147.08058	3.0
147.11696	22.0
149.09636	5.4
149.13272	16.7
151.11143	4.6
151.14848	2.8
153.09055	9.3
156.09369	2.2
157.10202	12.1
159.11719	18.0
161.13280	16.4
163.11195	5.0
163.14847	22.6
167.10677	10.8
169.10217	3.1
169.12463	2.4
171.11693	9.6
173.13258	21.5
175.11197	6.7
175.14832	22.7
177.12770	6.2
177.16371	13.2
179.14464	2.4
181.12213	5.7
183.11642	2.6
185.13318	9.8
187.14825	66.2
189.16399	31.9
191.17934	4.9
193.15996	2.0
195.13814	12.8
197.13310	2.6
199.14847	8.3
201.12701	2.1
201.16402	40.7
203.17953	19.0
205.15808	3.3
209.15297	2.8
213.16461	13.0
215.18039	15.5
217.15829	5.3
217.19591	5.8
219.17397	4.0
221.15388	3.3
223.16972	15.3
225.16440	2.9
225.18507	2.7
227.17894	13.1
229.19501	17.3
231.17398	3.9
231.20975	2.4
231.65926	2.5
233.15494	2.4
233.19070	5.1
235.16936	6.4
237.18524	8.7
241.19510	13.8
243.21089	7.0
247.16914	16.1
249.18495	7.1
251.20180	3.1
253.19398	3.0
255.21133	12.4
259.20648	2.7
261.18353	3.6
269.19241	2.4
269.22620	6.7
271.20398	2.1
273.18509	2.4
275.20212	3.1
277.21707	3.5
287.20016	4.3
289.21619	4.1
315.23117	3.1
337.27576	2.4
389.32022	5.9
407.33206	27.3
411.32767	2.4
425.34183	100.0
426.34921	3.2
427.35782	3.1
435.32693	11.7
453.33746	26.1
471.34781	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	fatsicarpain A
Peak:m/z	Relative Intensity
52.77897	1.0
55.05518	8.2
57.07066	3.9
64.31195	1.0
67.05521	12.6
69.07076	15.3
71.53965	1.7
79.05531	5.3
79.05921	0.9
81.07068	37.4
83.04978	2.8
83.08636	5.9
85.06556	1.6
91.05484	4.0
93.07053	10.2
95.08619	38.5
97.06516	2.0
97.10184	2.8
99.04451	1.3
100.48981	1.1
105.07037	8.6
107.08611	15.4
109.06538	2.8
109.10177	15.2
111.08037	1.7
111.11714	1.3
111.42542	1.1
115.07492	1.1
117.07040	1.6
119.08586	11.9
121.06493	2.6
121.10149	13.7
123.08083	6.5
123.11723	42.3
127.07589	1.4
131.08604	3.4
133.06499	1.6
133.10152	13.4
135.08083	5.4
135.11711	9.2
137.05974	1.5
137.09642	4.7
137.13275	12.9
143.08618	1.5
145.10135	4.1
147.08063	2.3
147.11708	13.7
149.05994	1.5
149.09665	5.5
149.13268	8.5
151.07564	7.3
151.11226	3.1
151.14815	2.8
156.09361	1.1
157.10153	4.5
159.11703	4.8
161.09651	3.2
161.13304	3.2
163.07578	3.6
163.11230	2.7
163.14905	1.6
165.09131	12.5
165.12805	2.9
169.10104	1.6
171.11723	3.2
173.09547	2.7
173.13243	3.6
174.36192	1.2
175.11230	3.6
175.14966	1.6
177.09120	2.0
177.16417	1.9
183.11749	2.3
185.09593	1.7
185.13289	3.4
187.11284	2.0
187.14803	1.3
189.12738	2.3
189.16403	2.1
191.17955	1.3
195.11694	1.2
197.13261	1.7
199.11258	3.3
199.14894	2.6
201.12741	3.1
201.16362	2.4
210.10495	1.2
211.14828	1.9
213.12828	5.3
213.16461	1.7
214.13483	1.1
215.14322	2.3
223.14719	1.4
225.12808	1.0
225.16402	1.5
227.14366	2.7
229.15875	2.1
241.15974	2.1
241.19576	2.0
255.17542	2.5
256.18262	2.2
257.18973	2.9
265.19711	1.8
269.19040	3.8
271.20663	1.7
283.20569	2.2
285.18774	1.4
287.20157	3.5
289.21796	1.5
297.22180	1.5
301.21545	1.4
313.21765	1.4
315.23306	1.3
322.86581	1.1
343.26468	1.2
351.26852	1.6
365.28296	4.3
407.33105	34.9
417.31647	5.5
425.34216	6.1
435.32629	28.6
453.33691	32.1
471.34760	100.0
472.34979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03936	3.4
55.05518	14.8
56.96555	5.9
57.07073	8.5
67.05504	19.4
69.07067	29.0
69.73097	13.5
72.85023	3.2
73.02895	3.6
79.05489	19.6
81.03421	4.2
81.07056	48.6
82.07452	2.6
83.08617	10.6
91.03938	3.5
91.05483	22.1
93.07048	45.9
95.04949	3.2
95.08609	66.9
97.02904	3.4
97.06526	4.1
97.10157	6.4
98.97582	6.4
105.07034	48.1
107.08588	71.1
109.06547	4.9
109.10158	39.3
111.08096	5.7
117.07025	9.3
119.08584	100.0
121.06566	5.0
121.10147	64.2
121.11015	3.3
123.08091	5.8
123.11704	20.8
125.09635	5.0
129.07004	4.4
130.07733	4.3
131.08563	25.0
133.10139	71.4
134.27498	2.9
135.08073	8.3
135.11700	29.3
137.09612	6.6
137.13249	5.2
139.11194	3.8
142.07773	4.0
143.08606	14.4
144.09415	7.1
145.10117	57.5
147.11693	37.2
149.09624	6.6
149.13246	24.7
156.09326	4.8
157.10144	26.0
159.11694	48.7
161.09663	5.9
161.13257	28.6
163.11165	7.1
163.14804	26.1
165.12794	3.5
169.10202	4.7
170.10960	3.3
171.11656	16.7
173.13239	28.6
175.11392	3.5
175.14841	49.3
177.12790	5.7
177.16383	38.4
179.10739	5.0
183.11734	5.6
185.13284	13.8
187.14822	57.8
189.12706	4.8
189.16367	48.0
191.18005	8.5
193.12308	5.1
193.15855	11.0
197.13269	5.7
199.14865	23.4
201.16376	83.7
203.14343	4.6
203.17929	25.7
205.15872	10.7
207.17488	6.3
211.14925	3.6
213.16391	26.9
215.17949	32.5
217.15959	7.3
217.19565	7.5
219.17468	38.6
223.16954	5.9
225.16513	4.9
227.17970	15.5
229.19540	21.7
231.17500	13.5
233.15384	4.2
233.19063	7.8
235.16985	11.2
237.18520	6.0
239.17854	4.6
241.19524	8.0
245.15443	4.7
245.18819	2.8
247.16943	20.2
249.18558	5.9
253.19504	4.7
255.21100	7.9
259.17111	4.1
259.20486	5.3
261.18561	4.2
267.09067	4.4
269.10553	7.1
273.18390	4.3
275.20047	5.2
285.10010	5.5
299.19962	3.4
324.11328	5.3
389.32224	18.4
389.36743	2.6
407.28464	4.5
407.33194	52.6
425.28769	5.4
425.34152	56.0
435.32715	65.5
453.33841	46.0
471.35159	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03920	0.8
53.99254	0.5
53.99540	0.5
55.05519	3.2
57.03408	0.8
57.07055	0.9
58.04970	0.6
59.04954	0.6
61.02892	0.7
67.05505	3.4
69.07066	5.1
70.31708	0.6
71.04950	0.6
79.05489	4.1
81.07058	10.0
83.04947	1.1
83.08581	2.0
85.02869	1.1
85.06522	1.1
91.05476	4.6
93.07049	10.0
95.04917	0.5
95.08609	15.6
97.06510	0.7
97.10157	1.2
99.08068	0.7
105.06311	0.6
105.07027	12.4
107.08600	21.5
109.06485	1.9
109.10162	6.7
111.08060	1.3
111.11751	0.9
119.08586	23.2
119.09456	1.1
121.06447	1.6
121.10146	9.0
123.08025	1.6
123.11687	4.1
125.09571	0.6
131.08560	2.4
133.10141	19.2
135.08049	1.3
135.11694	26.6
137.09584	2.4
137.13257	1.3
143.08516	1.8
145.10136	4.7
147.11685	14.4
149.09624	1.5
149.13272	5.8
151.11195	3.6
153.92999	0.6
157.10092	1.5
159.11661	2.7
160.12512	0.7
161.09599	1.8
161.13239	4.5
163.11134	1.0
163.14809	6.7
165.12721	1.2
169.10136	0.7
170.10861	0.6
171.11668	2.0
173.13225	1.9
175.11174	0.7
175.14827	27.0
177.12766	0.9
177.16385	6.8
179.14345	0.7
183.11639	0.6
185.13275	8.4
187.14836	2.7
189.16385	50.9
191.14319	1.1
191.17941	1.0
193.15849	0.9
197.13316	0.8
199.14873	1.4
201.16411	1.1
203.14314	13.7
203.17902	1.4
205.00117	0.6
205.15877	1.7
207.17445	100.0
208.17752	0.7
215.17960	0.9
219.13811	0.6
219.17464	0.7
221.15387	3.1
225.16522	0.9
227.17935	0.8
231.17511	0.6
235.16977	0.6
245.18890	0.5
249.14867	20.3
253.19511	0.9
261.14908	0.5
271.20746	0.8
301.09732	0.5
311.37155	0.6
323.10742	1.0
379.30344	1.0
407.33182	2.0
425.34247	6.3
435.32751	1.8
453.34113	6.8
471.34854	42.0
472.34973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05503	1.2
57.07087	0.5
61.75091	0.4
67.05516	1.9
69.07076	2.1
71.22939	0.6
79.05498	1.6
81.07067	3.8
83.04990	2.5
83.08601	1.3
91.05492	1.8
93.07050	4.2
95.04987	0.8
95.08618	6.6
97.06551	1.2
105.07040	7.6
107.08604	7.6
108.27990	0.3
109.06511	0.5
109.10172	4.5
111.08111	0.6
118.85500	0.4
119.08595	10.6
121.06535	0.5
121.10152	4.2
123.08083	0.7
123.11678	1.9
125.09704	0.6
129.07069	0.6
131.08563	1.3
132.16646	0.3
133.10138	4.8
135.08075	0.9
135.11699	5.4
137.13260	1.0
139.11240	0.4
143.08580	1.2
145.10132	2.2
146.07965	0.4
147.08093	0.5
147.11693	2.8
149.09615	0.8
149.13292	1.2
153.09113	0.6
155.08525	0.7
157.10133	2.5
159.08101	0.4
159.11700	1.5
161.09637	1.5
161.13258	1.9
163.14825	1.1
169.10170	0.9
171.11736	1.5
173.13280	2.4
175.11278	0.7
175.14844	7.4
177.16432	1.9
179.10719	0.4
183.11687	1.0
185.13297	0.6
187.11203	0.5
187.14836	3.0
189.12753	0.5
189.16394	12.8
191.17970	1.6
193.15965	0.6
197.13277	2.5
198.14139	0.4
199.14851	2.4
201.12662	0.5
201.16483	1.0
207.17537	1.8
209.13400	0.4
211.14824	1.4
213.16428	1.2
215.14351	1.4
215.18054	0.8
217.15878	7.5
225.16632	0.6
227.17989	1.3
229.16025	1.0
229.19508	0.4
231.17546	0.8
235.16949	5.1
241.19534	0.4
243.21162	1.1
245.19041	0.7
253.19550	2.6
255.21074	0.6
257.18997	1.0
261.14874	0.7
267.21234	0.7
271.20581	5.0
285.22141	0.7
317.21118	1.3
348.54382	0.4
356.43637	0.4
357.46558	0.4
389.32150	0.4
407.33243	2.3
425.34155	8.7
435.32401	0.7
453.33844	0.6
471.34744	100.0
472.35086	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03954	0.9
55.05507	3.1
58.52684	0.6
64.83558	0.5
65.03956	0.8
67.05512	4.8
67.58329	0.5
69.07071	4.9
69.56412	0.6
75.85449	0.6
79.05482	2.4
81.07067	7.4
81.34952	0.6
83.08640	1.4
91.05476	2.3
93.07062	7.5
95.08617	21.2
97.08241	0.6
98.20695	1.3
105.07044	16.2
107.08601	10.0
109.06512	1.3
109.10162	4.6
109.26552	0.6
117.07048	1.2
119.07810	1.0
119.08595	15.3
121.10151	5.1
123.08080	23.1
123.08963	1.2
123.11701	1.9
125.09649	2.9
131.08612	4.0
132.25371	0.7
133.10149	11.5
135.08057	2.7
135.11702	4.3
137.09648	0.8
143.08522	1.0
145.10120	6.0
147.08005	1.0
147.11711	10.3
149.05991	1.2
149.09593	1.4
149.13301	1.6
157.10149	1.7
158.10951	1.0
159.08040	0.8
159.11664	4.4
161.13297	3.1
163.11223	0.9
163.14830	3.0
171.11674	0.9
173.13274	22.1
175.14844	100.0
176.15311	1.1
177.16280	0.7
185.13306	0.9
187.14922	1.1
189.16417	2.0
191.14362	2.3
191.17963	1.6
195.85536	0.6
197.13330	1.0
199.14857	0.9
201.12811	3.4
201.16406	11.4
203.18106	1.0
205.15967	1.2
217.15924	1.7
219.14232	6.0
219.17461	53.2
233.15401	0.8
235.20714	0.8
237.14853	5.6
239.44991	0.7
245.15424	1.6
271.20599	1.6
372.42896	0.8
384.38776	0.7
407.33121	2.7
425.34167	9.1
435.32800	3.2
453.33817	10.1
471.34784	46.3
472.34860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03941	0.5
53.69682	0.3
55.05513	2.3
57.03432	0.6
57.07072	0.9
65.03954	0.5
67.05502	3.3
69.03426	1.1
69.07069	3.5
71.04995	0.4
71.53448	0.4
71.53863	0.4
79.05485	2.0
81.07059	7.1
83.04975	2.4
83.08630	1.9
85.02929	0.4
85.06562	1.2
91.05474	2.3
93.07046	6.2
95.04979	1.7
95.08616	9.1
97.06545	1.0
97.10175	0.6
99.08109	0.5
105.07037	8.3
107.08592	10.7
109.06531	1.6
109.10158	5.7
111.08076	1.0
112.07605	1.1
116.55888	0.3
117.07024	0.6
119.08582	12.3
121.06445	0.5
121.10141	7.2
123.08090	1.2
123.11685	3.1
125.09648	1.0
127.11183	0.5
129.07010	0.7
131.08548	2.6
133.10132	7.0
135.08070	1.2
135.11688	9.2
137.05995	0.7
137.09637	0.9
137.13263	1.4
138.44057	0.3
139.07552	0.6
139.11159	0.6
141.06998	0.5
143.08580	2.4
143.10625	0.4
145.10112	3.0
147.04337	0.4
147.08051	0.7
147.11691	4.4
149.09625	1.4
149.13249	2.7
151.11191	0.8
153.09097	0.6
153.12782	0.5
155.08519	0.9
156.09258	0.5
157.10126	3.1
159.11661	2.8
161.09602	2.5
161.13249	3.7
163.11157	0.9
163.14832	3.2
165.09117	1.4
169.10101	1.1
171.11671	2.1
173.09694	0.5
173.13266	3.3
175.11221	1.4
175.14827	12.7
177.16368	2.4
179.10663	0.3
179.14323	0.5
183.11687	1.4
185.13237	1.7
187.11218	0.6
187.14821	3.6
189.09140	0.5
189.12778	1.3
189.16386	16.4
191.14331	0.4
191.17958	1.8
193.15869	0.7
197.13258	2.5
199.11284	0.6
199.14850	3.0
201.12706	0.8
201.16418	1.5
203.10410	0.4
203.14346	1.3
203.17938	0.8
205.15846	0.8
207.17445	10.0
207.19405	0.5
209.13283	0.5
211.14862	1.5
213.16350	1.9
215.14322	2.4
215.17970	0.9
217.12398	0.5
217.15883	6.5
219.17450	0.6
221.15396	1.4
225.16414	0.5
227.17831	1.6
229.15857	0.8
229.19551	0.8
231.17445	1.2
233.15361	0.6
235.13297	0.6
235.16949	5.1
239.17935	0.4
241.19470	0.7
243.17532	0.4
243.21141	0.7
245.19051	0.8
245.22760	0.4
249.14899	1.8
253.19518	2.4
257.18921	0.8
261.14871	0.5
267.20963	0.6
271.20557	5.2
273.22061	0.6
285.22220	0.6
317.21158	1.4
407.33215	1.9
425.29050	0.6
425.34283	10.5
435.32693	0.9
453.34305	2.7
471.34750	100.0
472.35208	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	471.3476
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
50.96122	1.6
55.05517	7.7
57.07082	1.8
67.05516	10.6
68.68563	1.4
69.07072	10.9
69.86134	3.0
69.86501	7.1
73.28595	1.4
79.05495	10.2
81.07068	29.8
83.04988	3.2
83.08634	5.8
91.05497	9.9
93.07050	22.0
95.05000	5.1
95.08617	53.9
97.06559	2.8
97.10181	4.6
98.21414	2.3
105.07043	67.3
107.08610	45.0
109.06551	4.0
109.10165	29.2
111.08081	2.6
117.07014	2.2
119.08598	98.7
121.06490	1.9
121.10162	29.4
123.08120	3.2
123.11717	11.0
129.07027	2.0
131.08604	7.3
133.09142	2.1
133.10144	39.6
133.11096	2.9
135.08131	2.4
135.11703	33.8
137.09689	1.8
137.13239	3.4
143.08617	3.4
145.10159	12.1
147.11707	26.8
149.09657	2.7
149.13295	8.3
153.09126	1.7
157.10155	4.6
159.11694	9.1
160.12518	1.7
161.09656	3.3
161.13280	12.0
163.11208	2.4
163.14873	13.5
165.12801	1.8
169.10170	3.0
171.11749	5.7
173.13274	11.5
175.11307	2.2
175.14850	50.7
177.12787	2.0
177.16412	13.0
179.14354	2.2
183.11754	1.7
185.13258	2.0
187.14838	9.9
189.16405	100.0
190.16736	1.5
191.17970	38.9
191.19617	2.8
193.15953	2.4
197.13312	1.8
199.14861	6.0
201.16458	6.0
203.14371	4.2
203.17949	9.6
205.15942	4.1
205.19620	2.0
207.17476	35.9
209.19041	9.0
211.14857	3.2
213.16437	6.3
215.14439	1.7
215.17937	11.7
217.15926	5.4
217.19576	2.4
219.17503	3.8
221.15404	4.2
225.16579	1.6
227.18044	3.5
229.15881	1.9
231.17560	6.2
233.15405	2.2
233.18997	11.1
235.16951	67.7
237.18538	3.5
241.19534	3.2
249.18456	2.5
253.19704	4.1
255.21114	2.2
257.19092	3.6
263.16574	2.3
267.21115	1.7
271.20645	6.3
273.22223	1.6
284.80554	1.6
285.22076	2.7
299.20081	1.7
313.21756	3.0
315.23349	1.8
317.21246	2.9
331.22662	4.1
389.31995	3.8
407.33206	16.6
424.12790	1.6
425.34216	59.1
426.34528	2.8
435.32629	8.2
453.33661	24.2
471.34793	76.5
472.34998	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03945	6.0
55.05508	18.1
56.96579	22.5
57.03451	4.8
57.07094	7.3
61.02924	7.9
62.53436	3.4
65.03921	5.0
67.05509	31.3
69.03439	8.3
69.07079	32.0
69.49308	7.5
69.49714	19.4
73.02928	7.6
73.37462	3.2
79.05508	27.2
81.03434	7.5
81.07069	59.8
83.05001	8.5
83.08633	17.6
85.02922	12.3
85.06538	4.4
88.33613	3.6
91.03991	7.4
91.05501	26.9
93.07050	48.4
95.04968	8.7
95.08617	75.9
97.02914	12.5
97.06551	9.8
97.10187	9.2
101.73163	4.4
105.07045	55.1
106.07166	3.4
107.08603	75.1
109.02823	4.9
109.06557	6.5
109.10166	44.4
111.08108	9.1
114.70483	3.5
117.07023	7.8
119.08600	100.0
121.06519	5.9
121.10154	64.1
123.08099	6.8
123.11720	26.8
125.09678	5.0
129.07019	7.7
131.08609	23.6
133.10150	73.2
135.08073	11.3
135.11711	36.4
137.09628	9.7
137.13281	4.4
139.11235	8.0
141.06949	4.3
142.07794	4.3
143.08592	13.0
143.41753	3.6
145.10126	45.3
147.07993	6.1
147.11699	48.8
149.09653	8.6
149.13300	20.2
150.13510	4.0
151.11172	4.3
153.09132	3.8
155.08566	5.3
157.10135	20.8
159.11728	42.8
161.09637	8.7
161.13266	22.5
163.07570	4.1
163.11237	9.2
163.14854	27.7
167.08572	5.0
169.10196	8.0
171.11717	17.4
173.09564	6.5
173.13303	36.7
175.11346	4.6
175.14832	43.5
177.12782	12.5
177.16365	26.2
179.10701	4.1
179.14351	5.1
183.11711	9.9
185.13298	15.8
187.14851	50.3
189.09169	4.5
189.12723	7.5
189.16396	45.7
191.14340	8.0
191.18016	7.6
193.12402	7.0
193.15884	6.5
195.11583	4.8
197.13309	7.7
199.14818	20.0
201.16409	63.4
203.14384	12.7
203.18047	23.2
205.15996	9.7
207.17534	20.1
209.13391	4.3
211.14917	5.9
213.16428	24.4
215.17986	28.2
217.12297	11.3
217.15869	8.6
219.17448	27.0
221.15401	6.9
223.16969	7.1
225.07974	3.9
225.16467	6.1
227.17960	9.2
228.56259	3.7
229.19531	13.8
231.13925	4.7
231.17435	11.7
233.15385	7.3
233.18988	7.3
235.16983	12.4
237.18558	8.3
241.19550	9.6
245.15390	19.6
245.19160	4.1
247.16978	16.7
249.18486	6.8
253.19608	4.7
259.16925	6.4
261.18439	4.9
263.16589	3.8
267.09061	13.1
267.21158	6.2
268.09326	4.6
269.10501	6.5
275.20151	5.7
285.10144	15.7
308.11505	4.5
316.11877	6.8
324.61697	3.9
327.23145	4.9
331.15897	4.3
349.17010	9.0
356.65179	7.1
365.15225	4.5
381.19431	9.2
389.32095	12.8
407.28629	4.4
407.33240	42.5
425.34418	42.0
435.32843	56.7
453.34125	47.2
471.23306	7.8
471.35498	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01892	2.7
55.05522	10.3
57.07072	3.3
57.66482	1.3
65.03960	1.8
67.05513	13.1
69.03434	5.7
69.07074	15.8
71.54480	1.6
73.30686	1.4
79.05497	12.9
81.03429	2.1
81.07065	40.1
83.04996	2.6
83.08202	1.4
83.08643	5.5
85.02908	3.5
85.06551	2.3
91.05491	19.2
93.07055	39.1
95.04993	2.6
95.08617	49.1
97.06563	2.9
97.10189	4.0
103.05461	2.4
105.07038	38.6
107.04937	2.0
107.08611	37.0
107.09309	3.0
109.06490	3.7
109.10171	26.5
111.04502	2.4
111.08096	4.1
111.11755	1.7
115.05521	1.7
117.07025	12.7
119.05007	3.1
119.08592	48.2
121.06538	1.7
121.10157	34.5
123.04417	2.7
123.11744	11.1
125.06040	2.1
125.09648	2.1
127.03928	1.9
128.06184	2.7
129.06993	7.7
130.07855	1.9
131.08583	29.9
133.10147	33.4
135.08069	3.1
135.11711	28.6
137.05980	5.9
137.09595	2.3
137.13293	6.3
141.07031	2.7
142.07791	4.3
143.08589	20.6
144.09389	2.1
145.10138	42.2
147.04433	11.2
147.08081	3.1
147.11708	24.0
149.09647	3.6
149.13266	17.8
151.03940	2.8
151.07591	1.7
155.08583	3.4
156.09398	2.9
157.10139	21.2
158.10945	2.1
159.08084	2.1
159.11713	32.6
161.09689	7.3
161.13280	17.0
163.07504	2.5
163.11284	2.7
163.14842	10.8
165.09183	4.3
169.10138	3.2
170.10948	4.1
171.11705	12.5
173.13277	20.1
175.11206	2.6
175.14850	17.3
177.09203	1.6
177.16428	5.0
179.07062	1.9
179.10768	2.7
181.10065	1.6
183.11664	2.4
185.09744	1.9
185.13254	11.4
187.11237	2.3
187.14830	16.2
189.09108	3.4
189.12712	2.3
189.16396	26.6
191.10646	1.5
191.14302	4.6
191.17969	100.0
192.18364	1.8
193.15846	2.0
197.13342	3.3
199.14854	40.4
201.12750	2.6
201.16403	18.0
203.10646	3.5
203.14362	8.5
203.17993	35.1
203.19774	2.7
205.12213	3.7
205.16003	2.4
205.19612	6.8
207.17479	2.8
209.13332	2.3
211.14905	2.7
213.12859	2.0
213.16388	3.2
215.14372	2.5
215.18079	2.4
217.15916	25.2
217.19420	11.0
217.21271	1.4
219.13852	6.9
219.21075	2.2
221.15337	3.3
227.14410	6.1
227.17914	2.3
229.19588	2.4
231.13988	3.5
233.15442	3.5
235.16879	7.4
235.64708	1.5
243.21114	1.8
245.15421	16.2
245.22733	2.5
263.16461	25.1
267.93735	1.7
281.17490	4.3
291.15924	1.8
303.20093	1.9
309.17035	2.6
379.34753	1.6
389.31854	1.8
407.33160	6.0
425.34195	7.2
427.35831	2.8
435.32681	4.4
453.33975	14.3
471.12311	2.5
471.21744	14.0
471.34799	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	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33793	0.7
51.02362	1.0
53.03948	1.3
55.01881	0.8
56.96574	1.4
57.03429	1.1
67.05514	1.2
68.37475	0.7
69.03426	5.2
69.07057	1.0
69.87780	3.3
70.06596	17.3
71.05016	1.7
72.08153	2.2
79.01843	2.8
81.03426	8.5
81.07053	1.4
83.04972	0.7
84.88309	0.7
84.96038	1.5
85.02902	6.6
86.09683	1.4
91.05504	0.9
95.08597	1.2
97.02901	8.2
98.97577	7.3
98.99793	0.7
99.04482	1.1
103.04008	0.9
107.01283	1.1
108.04433	0.7
109.02866	7.0
110.13123	0.7
110.97562	0.8
112.07603	15.1
115.03977	0.9
116.07175	0.8
116.98615	2.2
119.04940	1.4
124.07633	0.7
125.02362	4.2
127.03925	9.6
128.04288	0.8
130.08676	1.4
136.07571	1.6
138.05505	0.9
139.03917	1.1
139.11205	0.7
140.07066	10.6
140.98616	0.8
143.00194	1.3
143.03400	3.6
143.08563	0.7
145.04965	2.9
146.64165	0.7
147.04430	5.0
149.52962	0.8
151.03955	0.8
152.07108	1.7
153.01837	100.0
153.07407	1.2
154.08598	1.6
156.06551	1.3
158.08130	1.1
158.99677	2.3
160.07515	0.7
161.01183	0.9
162.09178	0.7
170.99792	0.7
171.02890	12.5
176.03453	4.1
177.00732	2.0
179.03418	0.8
204.10242	2.4
219.01801	2.8
231.06628	0.7
237.02841	2.4
244.11801	0.7
255.09993	1.0
284.11292	1.4
297.06042	10.8
309.14236	1.8
310.14636	2.5
315.07059	11.6
340.07144	1.7
358.08078	8.8
376.09100	1.1
472.11920	11.1
472.18542	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09722	0.9
55.05511	1.4
56.77900	0.7
56.96552	2.4
67.04237	0.8
69.03439	1.3
70.06599	1.2
71.54340	1.2
81.03419	1.3
82.06573	2.4
84.08160	1.0
85.02905	4.0
97.02898	2.1
98.97598	2.5
110.06045	100.0
112.07613	3.5
116.98621	1.7
123.04404	1.4
124.07559	1.8
127.03919	1.6
132.95860	1.0
135.04402	1.2
140.07063	31.8
141.05405	1.0
142.08638	3.5
146.02676	1.2
148.68213	0.8
153.01823	2.4
154.08679	3.1
172.09712	2.8
179.03391	2.5
205.97525	0.8
208.09621	1.6
219.01811	2.1
221.71167	0.9
230.11794	1.5
239.82509	1.1
241.95120	1.5
258.11462	0.8
275.13843	4.7
293.14944	12.4
300.20859	0.9
311.16016	63.3
473.14999	1.9
473.21078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.0
50.09457	0.7
51.02382	1.2
53.03952	9.0
55.01877	5.1
55.05276	1.5
55.05515	20.1
57.03442	4.1
57.07077	1.2
65.03942	4.2
67.05511	48.6
69.03416	3.5
69.07072	10.2
71.04986	2.9
79.05501	63.3
81.03426	93.9
81.07062	45.8
83.04994	11.7
83.08155	1.4
83.08624	20.8
85.02870	1.2
85.06538	2.5
91.05489	60.5
93.07053	49.6
95.04977	33.3
95.08616	27.3
97.02860	3.7
97.06550	6.8
97.10142	4.0
98.45866	0.8
99.08076	1.6
103.05463	2.0
104.29477	0.8
105.04562	1.4
105.07043	45.3
107.04958	11.0
107.08604	20.9
109.06518	7.1
109.10156	10.3
111.04390	1.2
111.08105	6.9
113.06038	1.0
115.05446	3.1
117.07018	10.9
119.04910	1.4
119.08589	34.4
121.06519	5.5
121.09460	0.9
121.10174	11.3
123.08075	7.5
123.11695	3.9
125.09646	2.3
128.06236	3.1
129.07016	25.3
129.80125	0.9
131.02124	0.8
131.08588	12.9
133.06480	2.9
133.10149	15.2
135.08032	2.9
135.11697	5.9
137.05942	1.0
137.09608	1.9
137.13214	1.0
141.06966	2.1
141.09116	1.5
142.07777	3.5
143.08571	9.0
145.06465	1.6
145.10138	10.4
147.08107	6.6
147.11702	32.8
149.09694	4.4
149.10591	0.9
149.13251	2.7
151.11134	0.9
155.08566	1.2
156.09280	0.9
157.10133	9.3
159.08017	1.3
159.11688	4.4
161.09636	4.3
161.13254	11.0
163.11185	1.4
163.14824	2.0
165.09032	2.4
165.12729	1.5
167.31044	0.8
169.10103	2.8
171.08145	0.9
171.10269	1.4
171.11713	21.5
173.13278	2.6
175.11208	11.1
175.14830	1.4
179.14247	1.0
183.11685	1.3
185.02000	0.8
185.13210	1.8
187.14827	2.3
189.12756	7.4
189.16248	2.1
193.12254	27.3
199.14738	2.4
201.16374	1.7
203.14262	1.4
203.17845	1.0
205.12231	1.8
207.11909	1.4
207.13826	23.6
207.17178	1.0
211.13213	1.6
213.12840	1.4
219.13821	1.0
225.14908	2.8
229.15906	1.0
249.14818	4.7
267.15891	1.7
271.12329	1.1
281.17273	1.8
363.23264	1.5
381.24112	3.3
399.25031	2.2
409.17633	1.7
417.26233	1.1
427.35635	3.1
437.34729	1.2
455.27057	1.3
455.35736	1.8
473.14658	3.4
473.28891	100.0
474.29260	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	473.363
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
55.05503	11.0
57.07069	14.7
60.29424	6.5
67.05515	23.6
69.07061	24.7
71.39884	10.3
73.77390	6.3
79.05492	10.9
81.07049	36.7
83.04970	5.4
83.08608	13.1
91.05454	8.9
92.37186	6.4
93.07050	23.1
95.08627	66.9
97.10176	8.3
99.08113	7.0
105.07040	22.6
107.08611	40.9
109.10166	37.0
119.08624	35.6
121.10147	35.3
123.08073	10.0
123.11739	21.5
126.35170	5.9
131.08614	15.6
133.10132	25.3
135.08073	12.5
135.11726	22.2
137.13268	12.7
143.08508	8.2
145.10101	16.7
147.08031	7.6
147.11739	23.7
149.09662	7.6
149.13243	20.7
157.10173	12.9
159.11758	19.1
161.09660	8.5
161.13274	13.1
163.14803	10.0
164.59006	5.6
171.11707	12.4
173.09622	6.5
173.13312	10.5
174.03239	6.2
175.14857	14.3
183.11656	7.4
187.14847	11.5
189.16380	7.6
195.13765	10.5
199.14877	8.6
215.17946	10.6
217.15987	7.6
219.17393	7.0
241.19492	8.2
250.06256	46.5
253.19371	8.0
267.21091	17.0
271.20642	7.6
281.22540	10.9
306.12592	30.2
362.18729	40.1
387.61926	6.9
409.34811	7.1
418.24973	22.8
425.34302	20.7
427.35675	7.6
437.34000	32.0
439.35730	8.8
455.35287	90.6
473.36301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03942	3.5
55.05512	25.3
57.07061	9.1
67.05511	28.7
68.98289	2.5
69.07072	41.1
71.08611	6.2
79.05497	20.8
81.07060	50.5
83.08615	19.0
85.06521	6.6
88.70480	3.3
88.83762	2.9
90.66994	3.3
90.80612	3.0
91.05492	21.0
93.07047	43.3
95.04974	2.8
95.08614	100.0
97.06542	4.6
97.10174	15.7
99.08102	5.4
103.18206	3.2
105.07038	48.9
107.08599	68.8
109.06490	4.5
109.09460	5.0
109.10160	65.1
111.08096	7.0
117.06992	8.3
119.08576	63.0
121.06490	5.3
121.09315	5.4
121.10151	57.3
123.08056	8.0
123.11706	28.4
125.09634	4.6
131.08592	20.5
133.10138	55.9
135.08052	7.2
135.11694	42.0
137.13248	11.7
139.11134	4.1
143.08524	7.0
145.10129	35.0
147.11696	36.8
149.09636	6.5
149.13277	37.0
151.11180	5.1
153.09074	7.3
157.10088	8.4
159.11691	22.8
161.09511	4.9
161.13290	24.9
163.11200	8.2
163.14845	32.3
165.09151	10.9
165.12759	3.9
167.10670	8.2
171.11665	7.4
172.28539	3.3
173.09563	3.0
173.13239	16.6
175.14845	31.4
177.12766	8.0
177.16406	40.9
179.14317	4.5
179.17967	4.2
181.12271	8.1
185.13173	4.2
187.14833	58.2
189.12787	3.1
189.16420	52.1
191.17934	27.7
193.15942	4.5
195.13808	9.0
197.13181	4.5
199.14854	4.6
201.16455	21.8
203.17963	77.9
205.15778	5.4
205.19518	5.4
207.17458	11.3
211.14803	4.1
213.16336	5.6
215.17926	10.3
217.15996	4.3
217.19528	15.1
219.17435	8.2
221.19269	3.8
223.16875	9.2
225.16513	3.5
227.17851	5.8
229.15985	3.5
229.19537	5.0
231.17355	4.9
231.21051	4.3
233.15338	5.5
233.18858	4.2
235.16878	12.3
237.18466	9.6
237.92064	3.2
243.21123	3.5
245.22850	4.1
247.16942	8.0
249.18552	15.2
251.20079	8.3
255.21046	6.8
261.18442	3.3
263.20056	4.5
271.24149	3.8
309.22437	4.4
381.28098	3.6
391.33557	19.4
409.29767	4.6
409.34741	52.1
427.35867	65.6
437.34460	23.2
455.35516	41.9
473.32071	20.4
473.36069	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	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03944	1.1
55.05516	3.5
57.07064	1.8
67.05509	4.3
69.07072	5.2
69.43639	5.1
71.08617	1.2
79.05482	4.4
81.07052	10.7
83.08626	3.7
85.06529	1.3
91.05481	5.8
93.07048	11.0
95.04957	1.0
95.08609	17.1
97.02882	1.0
97.10143	0.9
105.07029	11.2
107.08600	16.3
109.06514	1.5
109.10156	11.4
111.08064	2.3
116.69562	0.7
117.07035	1.7
119.08581	18.0
121.10145	11.6
123.08105	4.8
123.11711	6.1
125.09630	1.2
131.08563	6.9
133.10136	15.3
135.08096	1.0
135.11681	13.6
137.09595	1.3
137.13333	1.7
143.08565	2.1
145.10124	8.6
147.11702	11.1
149.13254	7.4
151.11205	2.2
157.10146	2.6
159.11696	8.3
161.13255	7.0
163.14830	4.2
171.11719	2.5
173.13275	5.1
175.14839	5.9
177.16353	3.4
179.14247	0.8
185.13272	3.0
187.14801	8.3
189.12717	0.9
189.16376	16.1
191.14301	0.9
191.17940	2.0
197.13152	1.0
199.14865	2.9
201.16388	18.0
203.14406	1.0
203.17961	10.6
205.15877	6.3
207.17438	14.7
213.16389	2.7
215.17935	6.3
217.19595	1.8
219.17445	2.7
221.15385	1.4
221.19014	1.6
227.17969	2.2
229.19522	2.9
233.15332	0.9
233.19131	1.2
241.19566	2.7
243.21123	2.1
247.17003	7.2
251.16365	1.1
255.21085	6.3
257.22620	2.5
261.18774	1.4
269.22626	2.8
281.22778	1.0
287.19971	1.0
295.24069	0.8
301.21658	2.5
315.23178	1.1
331.26437	5.6
357.27908	3.6
391.33411	2.5
393.55328	0.8
409.34760	5.5
427.35724	100.0
428.36002	2.0
437.34241	10.4
455.35464	9.1
473.36935	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	473.3651
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03879	0.7
55.05406	5.0
55.05709	2.0
57.06990	0.9
65.03858	1.2
67.05391	13.2
67.05796	3.1
69.03330	1.4
69.03655	0.6
69.06950	3.5
69.07374	1.3
69.56688	1.5
69.57108	2.5
71.04943	0.7
71.08518	0.6
74.86577	0.6
79.05374	3.2
81.06930	11.1
81.07453	1.6
83.04853	4.6
83.05396	1.2
83.08485	4.5
85.06448	0.9
91.05351	6.8
91.05966	0.8
93.06910	14.3
93.07545	1.5
94.35052	0.5
95.04850	1.9
95.08472	68.3
95.09458	2.2
97.06403	1.7
97.10034	3.1
98.20800	0.6
105.06890	8.1
106.68877	0.6
107.04861	0.7
107.08456	16.5
107.09251	1.2
109.06367	2.4
109.10014	32.2
109.10825	2.9
111.07973	1.3
117.06866	1.9
119.08437	12.1
121.06363	9.0
121.07296	0.7
121.10000	10.5
121.10916	0.9
123.07927	2.5
123.11552	5.3
125.09531	1.2
131.08429	2.9
133.06416	1.0
133.10135	9.4
135.08073	5.1
135.11708	8.9
137.05809	2.1
137.09464	2.1
137.13116	1.6
138.06227	1.0
139.07549	12.9
139.08524	0.7
139.11093	1.3
143.08440	1.4
145.10149	5.2
147.08069	5.5
147.11714	6.1
149.09641	3.5
149.13275	3.9
151.07410	2.0
151.11026	1.2
153.09143	4.8
157.09984	2.5
159.07889	1.8
159.11688	4.2
161.09651	4.2
161.13258	4.9
163.07394	1.1
163.11038	1.9
163.14871	4.2
164.15030	2.1
165.08983	2.0
167.14191	0.8
171.11572	2.6
173.09477	2.4
173.13292	3.6
175.11205	2.9
175.14871	3.8
177.09036	1.3
177.12590	1.6
177.16273	1.1
179.10600	0.7
179.14211	1.0
183.11563	1.8
185.09538	0.8
185.13132	2.2
187.11189	3.0
187.14854	4.8
189.12610	2.3
189.16415	4.7
191.10567	1.4
191.14207	1.8
191.17790	1.2
193.15790	0.8
195.11539	1.1
197.13055	1.7
199.11137	1.1
199.14793	1.4
201.12596	1.9
201.16483	3.2
203.14273	0.9
203.17943	1.1
205.12100	1.5
209.13243	1.0
211.14772	1.5
213.12617	2.2
213.16209	1.7
215.14198	1.8
215.17667	0.8
217.12189	1.1
217.15750	2.4
217.19235	0.7
219.13509	0.6
219.17307	1.8
221.15239	0.8
225.16263	1.0
227.14252	1.1
229.15756	1.5
231.13741	1.0
231.17355	0.9
233.15269	0.7
235.16811	1.7
237.16260	0.6
241.15924	1.0
243.17328	0.8
249.18472	0.9
253.19476	0.9
255.17349	0.9
261.18402	1.6
265.19397	0.7
267.21036	0.7
271.16968	0.8
281.22653	0.7
283.20590	3.4
285.18442	0.6
285.22144	1.1
287.19983	0.7
295.20627	0.7
295.24158	1.4
297.22186	1.1
301.21497	2.7
309.22131	1.3
315.23148	0.9
323.23587	2.1
325.25198	1.1
327.23050	2.3
341.24557	3.1
345.24457	2.9
353.24509	1.1
355.26477	0.8
359.25861	5.1
369.27838	1.4
371.25671	4.3
385.27304	2.6
409.34283	0.7
419.33069	2.0
437.34250	6.4
455.35275	100.0
456.35434	1.6
473.36343	70.3
474.36746	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
55.05510	7.2
59.34749	2.6
67.05492	13.4
69.07068	12.9
79.05505	11.8
81.07056	25.9
83.08633	8.5
91.05492	6.9
93.07043	25.3
94.39678	2.5
95.08608	48.1
97.06560	6.0
97.10199	6.2
98.20710	5.2
98.63956	3.0
105.07024	17.1
107.04896	2.8
107.08598	42.3
107.09291	3.1
109.10153	39.8
111.08096	4.8
111.11742	7.4
117.07026	5.6
119.08573	23.1
119.95630	2.5
121.06557	3.8
121.10149	36.9
122.41888	2.8
123.11718	18.1
131.08624	7.9
133.10144	23.0
135.07993	3.2
135.11702	45.7
137.13268	3.8
139.07584	2.5
145.10092	12.8
147.11720	11.5
149.13309	12.7
151.11230	3.5
153.12688	3.3
159.11690	14.1
161.13287	7.4
163.14841	3.0
173.13339	5.2
175.14886	4.5
177.09183	3.6
177.16399	4.0
179.18059	8.5
187.11247	3.0
187.14847	12.0
191.17938	59.6
191.19579	3.5
201.16463	11.0
203.18098	3.3
207.17146	2.6
209.18996	12.7
211.14819	4.7
214.97044	2.6
219.17421	4.8
229.15962	8.5
229.19498	3.5
235.17128	3.9
241.19603	2.7
243.21130	5.9
247.16995	25.9
249.18806	2.9
265.18024	3.7
295.19174	5.5
309.20560	2.5
335.22385	10.4
358.20477	2.7
427.35910	9.6
437.34479	4.5
455.35056	6.2
473.36316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
53.03934	0.9
54.17832	0.4
55.01862	0.4
55.05512	3.6
57.03436	0.8
57.07078	2.2
57.07310	0.4
58.08689	0.3
59.05006	0.6
59.24159	0.3
61.18972	0.4
65.03931	0.6
67.05507	6.9
67.42598	0.3
69.03427	0.5
69.07069	8.4
69.95408	0.8
69.95811	1.5
71.05007	0.8
71.05384	0.3
79.05492	6.2
79.88132	0.4
81.07059	14.8
83.04967	0.9
83.08624	2.6
85.06538	1.1
91.05483	4.1
93.07043	12.9
95.04996	1.8
95.08610	29.6
97.02879	0.5
97.06546	3.4
97.10179	2.1
99.08084	0.9
101.86560	0.4
105.07031	8.9
105.73174	0.4
107.04961	2.9
107.08598	20.5
108.94392	0.4
109.06555	2.3
109.10159	19.1
111.08072	2.1
111.11721	2.1
113.09655	0.4
117.07041	1.7
119.08585	11.2
121.06503	2.6
121.10150	15.9
121.11033	0.8
123.08087	1.5
123.11719	11.8
125.05993	1.2
125.09608	0.9
125.13264	1.3
131.08559	4.4
133.06535	0.5
133.10132	11.1
135.08092	1.9
135.11694	24.0
137.06007	0.7
137.09631	1.4
137.13268	6.3
139.07541	1.9
139.11185	1.7
143.08572	1.1
145.06462	0.7
145.10117	6.9
147.08052	0.8
147.11682	7.5
148.12512	0.8
149.05920	0.4
149.09624	1.6
149.13254	6.2
151.07530	1.1
151.11171	0.9
151.14822	0.6
153.09071	0.5
153.12752	1.7
157.10155	1.7
158.10869	0.6
159.08086	2.0
159.11696	7.8
161.09596	1.5
161.13243	2.4
163.07536	1.1
163.11215	1.2
163.14796	2.1
165.09103	1.1
169.08647	0.6
169.10138	1.1
171.11743	1.4
173.09636	1.7
173.13239	3.9
175.11191	1.7
175.14816	2.6
177.09096	1.4
177.12744	0.8
177.16441	0.6
179.10721	0.4
179.14406	0.5
179.17918	2.4
181.12288	0.5
185.13268	1.7
187.11258	1.2
187.14836	5.3
189.12697	0.7
189.16396	1.9
191.10686	1.7
191.17955	15.2
196.12538	0.5
196.99579	0.4
197.13312	0.4
199.14891	0.6
201.16382	7.2
203.14392	0.7
203.17982	1.2
205.12263	1.2
205.19498	0.9
207.17448	0.8
209.18988	4.1
211.14838	1.5
215.18076	1.0
217.15848	1.0
219.17484	1.6
227.17984	0.7
229.15877	4.7
229.19426	0.8
231.13841	0.5
233.15376	1.0
235.16975	1.1
237.18556	0.6
245.18965	2.4
247.16959	9.5
253.19559	0.7
263.16525	0.7
263.20120	2.3
265.17947	2.8
271.20740	0.6
273.18372	0.9
275.20163	0.7
289.21609	0.7
291.19574	1.8
295.19113	1.7
309.20596	3.4
317.21216	0.5
331.22675	0.5
335.22171	12.6
349.23712	6.2
409.34415	0.4
419.53430	0.4
427.35632	1.8
437.34436	0.5
445.36899	1.8
455.35159	1.5
473.36276	100.0
474.36627	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	473.3629
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03931	0.6
55.05502	1.9
57.07073	1.1
63.30816	0.6
66.76353	0.6
67.05515	2.9
67.83961	0.6
69.03426	0.7
69.07063	4.8
70.98643	1.5
75.70772	0.7
79.05517	3.3
81.07052	8.2
83.08620	1.8
83.89421	0.6
85.06516	0.9
91.05479	2.5
93.07047	9.3
95.08605	14.3
97.10149	1.2
101.42635	0.5
105.07030	7.5
107.08594	16.8
109.06493	1.1
109.10173	6.3
111.08109	1.0
117.07053	1.0
117.81637	0.6
119.08593	12.1
121.10138	13.0
123.08032	1.1
123.11722	3.4
131.08539	3.9
133.10135	9.5
135.08061	1.3
135.11691	16.6
137.13231	0.9
141.06912	0.7
143.08575	1.2
145.10129	5.2
147.11699	10.9
149.09526	0.9
149.12183	1.1
149.13274	10.4
151.11240	1.1
157.10144	1.4
158.10785	0.6
159.11671	3.6
161.13232	6.6
163.14807	12.2
165.12708	0.9
171.11699	1.8
173.13268	2.5
175.14838	4.8
177.16389	11.5
185.13268	1.5
187.14810	11.5
189.16382	20.4
191.14264	0.7
191.17923	3.4
197.13228	0.6
199.14934	1.6
201.16339	7.0
203.17973	2.1
205.15875	68.2
207.17432	29.8
208.17850	1.2
213.16360	1.8
215.17986	5.1
217.19585	2.0
219.17412	5.2
227.17979	1.4
229.19418	4.0
241.19516	2.2
255.21219	4.7
267.20950	1.1
269.22723	3.3
286.48703	0.7
287.23517	0.8
293.70676	0.6
318.25604	0.7
325.51239	0.6
391.33618	2.2
409.34662	15.1
413.12643	0.7
427.35724	100.0
428.36032	1.0
452.62216	0.7
455.35269	5.6
473.36520	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	473.3632
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05509	2.4
57.07065	1.0
59.17381	0.6
67.05512	3.7
69.07078	3.8
70.64800	1.0
70.65141	1.3
77.34451	0.6
79.05490	2.2
80.55865	0.5
81.07061	7.6
83.08614	2.3
88.86941	0.6
91.05492	3.5
93.07050	8.4
95.08619	13.0
97.06541	0.7
97.10188	1.2
105.07053	7.1
107.08604	14.5
109.10180	7.3
111.08086	1.4
117.07005	0.9
119.07805	1.0
119.08597	13.3
121.10140	8.2
123.08076	2.2
123.10938	0.6
123.11749	3.7
131.08574	4.4
133.10141	12.5
135.08063	1.0
135.11703	13.0
137.09613	0.8
137.13338	1.0
142.27803	0.6
142.53302	0.7
143.08578	1.3
145.10149	6.0
147.11713	10.3
149.09544	0.6
149.13300	5.5
151.11150	1.0
157.10191	1.4
159.11703	5.3
161.13274	5.6
162.97968	0.6
163.14857	4.8
171.11699	1.8
173.13240	4.1
175.14879	4.5
177.16403	2.6
179.10722	0.7
179.14359	0.7
185.13307	1.5
187.14838	8.3
189.16393	12.2
191.17970	2.0
199.14995	1.4
201.16399	15.4
203.18005	8.2
205.15947	6.1
207.17482	11.9
213.16422	1.9
215.18002	4.6
217.19629	1.4
219.17479	2.2
221.19017	1.1
227.17940	1.6
229.19579	3.2
233.15401	0.8
235.17134	0.7
241.19557	1.9
243.21135	1.7
247.16904	5.9
247.18674	0.5
251.16556	0.9
255.20981	4.5
257.22632	2.4
269.22757	2.1
287.19986	0.8
295.24603	1.0
301.21680	2.4
303.23166	1.0
315.23172	1.5
320.35464	0.7
331.26285	4.5
357.28003	3.3
391.33588	1.8
409.34705	4.7
427.35782	100.0
428.36096	1.8
437.34296	6.6
455.35513	4.9
473.36395	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	473.3629
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.05508	16.9
57.07066	8.7
57.78857	2.4
58.47464	2.3
59.74659	2.2
61.78393	2.7
67.05519	28.9
69.06728	3.0
69.07069	37.4
69.37829	2.5
69.77443	2.4
70.65718	5.1
79.05484	14.6
81.03410	3.3
81.07058	61.7
83.04981	3.5
83.08620	18.0
85.06542	6.4
91.05486	10.8
93.07045	26.3
95.04945	3.1
95.08608	80.2
97.06477	2.8
97.10156	9.2
105.07049	27.4
107.08591	48.1
109.06523	10.1
109.10154	60.4
111.08080	4.5
111.11709	7.0
117.06995	4.9
119.07803	4.3
119.08582	47.6
121.06533	3.8
121.10139	41.2
122.93455	2.4
123.08059	10.7
123.11700	43.0
125.09631	3.9
131.08588	16.9
132.90752	2.5
133.10123	33.1
135.08047	8.0
135.11699	23.4
137.09584	7.2
137.13246	11.7
139.11201	2.9
143.08537	7.3
144.87381	2.9
145.10138	35.1
147.08047	3.4
147.11700	22.7
149.09612	8.8
149.13248	19.0
151.10133	2.5
151.11182	14.3
151.14825	17.1
155.08589	5.0
156.09354	3.0
157.10158	13.8
158.11078	2.8
159.11687	22.4
161.09665	5.8
161.13255	20.6
163.11154	5.8
163.14821	7.5
165.12749	3.1
169.10060	4.8
169.12267	9.7
170.10916	4.5
171.11705	15.6
173.13287	16.9
173.39322	3.0
175.11160	7.5
175.14810	15.4
177.12701	3.0
177.16400	7.9
179.14204	5.2
181.10132	3.4
183.11664	10.0
185.13287	12.5
187.11111	6.2
187.14818	34.0
189.12791	6.4
189.16383	22.6
191.14282	4.1
191.17908	7.9
193.10162	3.2
193.12363	2.5
195.11728	5.7
197.13240	9.2
199.14832	8.3
201.12718	7.8
201.16385	9.4
203.14352	7.9
203.17932	7.0
205.15857	4.7
207.11858	3.7
207.17412	6.3
209.13359	3.2
211.14865	8.6
213.12851	4.9
213.16359	8.4
215.14343	3.6
215.17979	3.7
217.15982	4.4
217.19427	3.6
219.13947	4.2
219.17528	3.2
221.15479	3.1
223.14955	4.1
225.16341	8.4
227.14314	3.7
227.17987	5.8
229.15877	5.4
231.17522	5.4
239.14357	3.4
239.17900	8.6
241.19630	8.3
247.16917	4.8
249.18579	5.1
253.19562	2.7
255.21233	3.5
257.19064	5.6
259.20523	5.8
263.17963	3.6
267.17511	3.4
267.20905	3.9
269.18964	3.4
271.20544	8.4
285.18683	3.9
285.21994	4.2
287.20261	4.8
299.20187	3.5
313.21561	6.9
325.28961	2.8
327.22989	4.5
339.27032	3.3
341.24625	3.5
344.84793	3.4
391.33817	13.3
395.33200	2.9
401.31973	7.4
409.34772	28.0
419.33139	38.2
427.35593	10.9
437.28098	3.9
437.34180	90.8
455.35269	100.0
473.35123	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Microfokienoxane C
Peak:m/z	Relative Intensity
55.05509	3.9
57.03428	1.6
58.07969	1.4
67.05183	1.8
67.05504	10.2
69.07073	6.8
71.24376	2.8
78.71706	1.4
79.05476	6.7
81.07060	15.7
83.08633	3.1
90.10793	1.2
91.05506	8.6
93.07048	13.9
95.08611	42.4
97.06524	1.9
97.10117	1.7
105.07026	18.7
107.05009	1.5
107.08590	20.5
107.09200	2.0
109.06568	1.8
109.10159	10.9
117.07045	5.2
119.08585	24.2
121.06507	1.8
121.10117	15.1
123.08076	48.3
123.08958	2.8
123.11733	4.7
125.09624	7.3
129.07059	3.0
131.08572	21.6
133.10147	13.6
135.08047	7.5
135.11699	8.6
142.07852	3.6
143.08539	7.5
144.09308	2.3
145.10126	22.8
147.08075	1.5
147.11705	29.5
149.09700	2.9
149.13293	4.6
154.94269	1.9
156.09415	1.8
157.10110	15.5
158.10982	2.7
159.11679	13.0
161.13330	9.4
163.14854	5.8
170.10941	3.8
171.11728	2.6
173.13266	72.1
175.14830	3.0
179.14391	1.9
185.13272	26.1
186.20247	1.3
187.14883	3.1
189.16449	3.4
191.14313	54.1
191.17986	2.1
201.16380	22.2
203.14319	18.6
203.18053	2.2
207.17532	2.4
215.18040	1.7
219.17447	100.0
221.15324	7.9
235.20604	2.3
247.20703	1.2
255.21260	1.7
276.01816	1.6
285.10172	1.7
291.73508	1.4
301.25372	2.2
373.32190	1.4
381.31552	13.3
407.33005	2.8
419.33383	6.4
425.34229	5.1
426.98642	1.8
427.36359	2.1
437.34387	14.3
455.35336	29.4
473.20221	4.5
473.36514	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3633
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03944	1.6
55.01857	1.0
55.05498	4.0
56.22937	0.9
56.96578	4.9
57.03450	1.9
58.21896	0.9
61.02935	4.8
64.62167	0.9
67.05515	7.2
69.03419	2.4
69.07080	7.8
69.23602	9.5
69.75485	1.0
71.04987	1.3
73.02930	1.7
74.83568	1.1
79.05503	7.7
81.03409	3.0
81.06586	1.1
81.07064	15.9
82.06895	1.0
83.04994	1.3
83.08626	3.0
85.02911	6.4
91.03953	1.7
91.05488	6.4
93.07051	13.7
95.04947	1.3
95.08059	1.6
95.08620	21.7
97.02927	5.0
97.06530	1.3
97.10152	2.3
98.20748	2.5
98.97584	2.7
99.08076	1.1
105.07047	9.3
107.08608	23.4
109.06503	1.9
109.10175	11.3
110.97535	1.3
111.08100	2.4
115.05520	1.4
117.06995	1.9
119.08594	17.4
120.33559	1.0
121.06509	2.3
121.10152	17.6
122.10485	1.2
123.08081	3.0
123.11694	4.7
125.09622	1.3
127.03912	1.5
129.06946	1.4
131.08591	8.4
133.10144	12.7
135.11708	17.1
136.93152	3.0
137.09634	2.5
137.13239	1.3
139.11179	1.3
143.08572	2.1
145.10117	7.8
147.11700	15.1
149.09616	1.5
149.13266	12.2
151.11180	1.5
151.14848	1.1
154.94174	7.3
157.10117	2.3
159.11774	6.8
161.09569	1.2
161.13283	8.5
163.14835	13.2
165.12820	1.5
171.11713	3.6
172.95293	6.1
173.13269	3.7
175.14842	5.7
177.16428	10.2
179.14330	1.1
185.13310	1.6
187.14835	13.0
189.00790	1.5
189.09180	1.2
189.16405	20.4
190.96342	1.8
191.14294	1.3
191.17924	3.8
195.96844	1.3
199.14758	1.5
201.16415	7.2
203.17996	1.8
205.15897	62.5
207.15579	1.9
207.17468	29.2
210.96797	2.5
213.16383	3.1
215.17880	5.7
217.19434	1.5
219.17522	7.0
221.15370	1.4
225.16566	1.1
227.18010	2.3
228.97829	2.8
229.19524	3.7
229.49202	1.1
241.07477	2.7
241.19467	1.9
243.21088	1.4
243.58968	1.8
249.08174	1.1
255.21060	3.9
259.08517	4.5
267.09003	7.0
268.09305	1.1
269.22617	3.1
269.71915	1.1
285.10098	6.7
286.10461	3.5
288.61649	1.4
303.11264	1.8
308.11664	1.9
311.10794	1.3
317.17911	3.0
319.19373	3.1
324.11435	2.4
324.61676	4.0
325.11865	2.8
335.25784	1.3
336.26184	1.2
337.20447	3.6
349.15817	1.5
349.65887	1.4
391.33588	2.2
409.30368	1.3
409.34805	14.5
427.35800	100.0
428.36127	1.8
437.30045	2.3
454.72089	3.4
455.18158	1.7
455.30923	3.8
455.35474	4.1
463.72702	3.8
464.22806	1.5
473.19742	10.0
473.25513	2.0
473.31711	3.6
473.35999	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	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
52.57224	4.0
53.92965	3.8
55.05513	21.9
57.03436	5.6
57.07078	7.1
66.39839	3.9
67.05510	28.4
69.07060	27.7
69.62708	23.9
75.13168	3.9
79.05500	26.2
81.03405	8.3
81.07059	69.2
83.08614	15.7
85.02854	4.1
85.06533	7.6
91.05476	29.7
93.07047	58.7
95.04993	5.5
95.08053	7.2
95.08611	95.2
97.06519	8.8
97.10176	11.6
99.15617	4.5
103.05459	4.3
105.07030	61.1
107.08593	71.4
109.10158	68.6
111.08081	10.6
111.11723	4.4
114.01547	4.5
117.07007	10.9
119.08587	100.0
121.10139	70.4
123.08084	15.2
123.11727	35.4
125.09612	5.4
128.06143	4.2
129.06960	4.3
131.08571	28.6
133.10130	52.8
135.08072	8.9
135.11691	60.3
137.09619	7.1
137.13237	10.0
142.07695	4.1
143.08566	4.9
145.10146	38.9
147.04385	6.2
147.11688	42.0
149.02336	7.3
149.09596	7.0
149.13239	28.2
151.07664	4.2
151.14923	5.1
157.10118	13.3
158.83653	3.7
159.08035	5.1
159.11728	38.1
161.09561	6.0
161.13258	38.7
163.14803	36.4
165.09081	5.2
165.12752	6.3
169.10106	5.5
171.11650	6.6
173.09700	4.2
173.13309	26.9
175.11115	5.0
175.14850	35.8
177.12665	6.6
177.16405	24.0
178.61693	4.5
179.14351	5.1
183.11717	4.8
184.85368	5.6
185.13229	13.9
187.11145	6.6
187.14854	37.1
189.12810	6.1
189.16383	37.0
191.17964	63.9
193.15833	9.2
199.14903	10.0
201.16422	24.3
203.14473	5.6
203.17952	40.1
205.15900	8.3
207.17398	10.4
213.16440	7.3
215.14328	5.1
215.18015	8.7
217.19402	22.6
219.17432	15.8
227.17963	5.0
229.19531	5.3
233.15343	8.7
233.18976	4.8
235.16949	6.1
245.22659	6.6
247.16953	8.4
253.19594	4.4
259.20581	4.6
265.14337	5.3
265.17990	10.4
397.34790	23.2
399.28983	4.6
409.35074	33.0
427.36249	33.1
437.34253	17.2
455.35690	93.5
473.14200	5.7
473.28598	5.2
473.37094	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3632
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03941	3.8
55.05513	14.1
57.07074	5.0
67.05516	24.5
69.03452	3.5
69.07066	19.5
70.25807	12.9
71.04996	5.3
79.05492	22.0
81.03430	4.9
81.07066	66.9
83.08616	14.4
85.06553	4.5
88.07613	4.0
91.05487	23.4
93.07055	46.1
95.04984	8.0
95.08616	100.0
97.06495	5.7
97.10168	7.8
99.08112	7.4
103.38673	3.7
105.07048	54.9
107.08604	73.0
109.06548	5.4
109.10171	77.6
117.07039	9.4
119.08599	62.2
121.10166	61.7
121.11021	4.5
123.08109	6.8
123.11699	25.3
129.06961	3.8
131.08597	18.7
133.10161	52.0
135.11707	45.7
137.13281	4.4
143.08557	10.3
145.10153	49.3
147.08124	4.6
147.11703	42.6
149.09564	4.3
149.13242	29.1
157.10129	9.5
159.08043	5.2
159.11710	37.2
161.09650	8.6
161.13268	33.6
163.11139	4.8
163.14816	31.0
168.21652	3.3
171.11679	11.4
173.09595	4.3
173.13272	25.0
175.14844	31.9
177.12860	5.8
177.16397	14.7
179.14333	13.2
185.13274	14.6
187.14836	42.5
189.16400	33.6
191.14391	7.5
191.17966	79.7
193.15862	5.9
197.13335	4.9
199.14856	7.2
200.20151	6.4
201.16394	26.1
203.14325	10.0
203.17949	32.9
205.15923	14.8
205.19458	6.0
207.17540	7.9
211.14851	3.8
215.14180	5.1
215.18111	5.4
217.15923	6.4
217.19490	12.6
219.17465	33.9
221.18950	8.4
222.51535	3.8
227.17903	7.4
229.19617	8.3
231.17451	6.8
233.15390	7.4
233.19052	5.6
235.16942	7.9
237.16277	3.6
243.21152	4.6
245.19072	5.8
247.16997	12.9
247.20566	4.1
256.26334	7.7
257.19031	4.9
261.18573	4.6
268.56723	4.1
271.20563	5.4
287.23666	3.8
329.24512	4.3
331.57709	3.5
391.33804	4.1
397.34805	24.2
409.34781	53.3
419.33301	5.8
425.34161	9.8
427.36130	31.0
437.34344	54.1
455.35660	78.7
473.37195	38.3
482.92667	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13990	1.8
56.96339	1.7
56.96571	19.0
65.59707	1.8
69.03422	5.2
69.70872	11.2
71.95236	2.6
74.97610	2.3
81.03378	2.5
82.67365	1.9
84.96024	9.4
85.02882	7.2
85.03362	2.0
91.05430	2.2
97.02869	3.8
97.96789	2.3
98.97585	96.5
110.97572	26.8
112.99135	3.1
116.98619	31.4
120.08105	5.5
123.04438	2.1
124.99150	3.1
127.03899	5.2
127.39555	1.9
128.98607	28.0
131.00160	5.0
134.99660	5.4
137.05959	2.2
139.03897	2.4
140.98531	3.4
143.00139	6.4
146.19910	2.2
146.42615	2.0
146.99626	12.6
147.04472	2.2
152.98540	4.7
153.01794	2.0
158.99664	6.8
161.01195	7.9
161.20503	2.2
166.08635	2.5
170.99646	9.3
177.00676	6.8
189.00691	6.7
201.00644	10.4
219.01775	57.4
223.02809	7.0
226.01477	7.9
235.02803	21.3
237.00450	4.8
237.02829	100.0
238.01468	3.0
241.03806	17.7
253.03812	11.5
255.01573	3.1
260.04337	3.6
263.04340	11.8
265.03839	3.1
271.04880	4.1
277.03406	3.7
295.04648	2.5
313.06110	2.2
317.10666	3.0
320.13382	2.9
325.05927	3.3
337.05923	7.4
353.05865	3.3
367.06934	13.9
371.06345	2.5
379.07074	3.4
385.07977	6.5
397.08139	15.2
415.09094	69.1
433.10229	31.7
475.11102	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2151
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
55.01878	0.4
55.05499	1.1
61.00241	0.2
67.05504	2.0
69.03436	0.6
69.07059	0.7
71.04983	0.6
71.54375	0.2
77.90421	0.3
79.05504	1.6
81.03437	1.4
81.07057	2.7
83.04967	0.5
83.08643	0.6
84.15873	0.2
85.02907	1.0
91.05469	1.5
93.07033	2.0
95.04974	1.1
95.08595	2.2
97.02849	0.3
97.06560	0.5
97.10177	0.5
98.97569	0.3
99.04448	0.5
99.08080	0.5
103.85210	0.2
105.07036	1.9
107.04980	1.1
107.08590	2.1
109.02881	0.4
109.06520	0.4
109.10165	2.0
111.04436	0.4
111.08066	0.4
115.05445	0.4
117.07028	0.6
119.08611	1.7
121.02882	0.4
121.06548	0.7
121.10125	1.3
123.08086	0.6
123.11716	0.9
125.09638	0.7
127.11193	0.3
129.07008	0.4
131.08583	0.7
133.10124	1.5
135.04430	0.3
135.08043	0.5
135.11673	0.7
137.05974	0.7
137.09608	1.6
139.03827	0.3
139.07538	0.3
143.08560	0.3
145.10132	0.9
147.04405	0.4
147.07991	0.4
147.11687	0.8
149.09601	0.5
149.13263	0.4
151.07562	2.0
151.11186	0.3
155.08615	0.3
157.10155	0.6
159.11665	0.5
161.09653	0.7
162.09906	0.3
163.11237	0.9
165.09111	6.9
167.07066	1.0
171.11699	0.3
173.09641	0.4
173.13272	0.5
175.07535	0.4
175.11276	0.2
177.09079	0.3
183.11722	0.3
185.04349	0.3
187.11252	0.4
188.34941	0.3
189.11281	0.3
191.10638	0.8
191.14320	0.3
193.12187	0.4
201.12849	0.3
203.14371	0.4
205.12268	0.5
206.95401	0.3
209.09962	0.3
209.11804	0.7
225.64905	0.3
227.12772	0.5
247.13396	0.5
317.08423	0.5
343.17282	7.9
365.21085	0.4
383.22198	0.8
401.23495	0.4
427.54807	0.3
457.26047	0.6
475.21481	100.0
476.21890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.88353	1.5
55.01865	2.3
55.05503	5.8
57.03442	7.9
57.07066	2.4
59.04993	5.0
61.02900	2.1
67.05512	10.5
69.03119	2.1
69.03433	18.9
69.07063	7.6
69.40583	1.9
71.05006	7.9
71.54057	2.2
73.02897	3.0
79.05492	7.3
81.03403	7.1
81.07056	15.2
83.04989	7.5
83.08622	5.6
85.02912	27.0
85.06540	3.8
87.00828	5.8
91.05486	5.7
93.07050	11.7
95.08602	17.8
97.02879	8.1
97.06504	1.9
99.04446	4.5
105.01851	4.9
105.07050	10.7
107.04955	2.4
107.08603	40.6
109.02872	7.2
109.06532	5.5
109.10155	32.5
111.04442	14.8
111.08069	5.0
119.08591	5.1
121.06548	2.3
121.10152	42.7
122.07302	1.8
123.04446	2.8
123.08057	4.7
123.11700	4.8
125.09624	7.9
127.03917	12.6
129.25894	1.6
131.08565	6.7
133.10152	11.6
135.08043	10.2
135.11713	7.7
137.05988	3.2
137.09607	19.1
139.11186	7.0
145.04974	4.1
145.10129	2.5
147.11708	8.7
149.09636	7.2
149.13260	20.8
151.11200	27.8
153.09145	4.6
153.12750	2.0
158.10948	1.9
159.92224	1.8
161.05977	1.9
161.09608	1.9
163.11241	2.1
163.14822	15.0
164.13629	4.6
165.09073	2.2
167.07024	3.9
167.10687	30.5
169.12234	3.2
173.13292	15.9
177.05396	1.8
186.30325	2.0
191.14313	58.6
209.15370	54.5
214.08545	2.3
217.08693	2.2
227.16423	100.0
231.04956	2.7
233.09575	2.0
258.11124	1.8
280.10568	3.4
383.14307	2.5
446.23642	2.0
475.21365	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	475.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01874	2.1
55.05505	4.2
57.03432	6.0
57.07074	3.0
59.04997	3.3
67.05504	6.2
69.03432	21.0
69.07064	6.5
71.05000	8.7
71.54211	2.3
73.02927	2.2
75.04472	3.1
79.05485	7.5
81.03430	7.6
81.07062	12.3
83.04989	8.7
83.08630	5.0
85.02906	27.3
87.00823	5.9
89.06046	1.9
91.05466	5.4
93.07061	7.3
95.04991	2.8
95.08616	14.2
97.02914	7.0
97.06537	4.9
97.53574	1.6
98.15858	1.8
98.97594	1.6
99.04438	3.5
101.06030	1.6
105.01859	3.4
105.07024	9.3
107.04949	2.6
107.08596	43.0
109.02887	4.4
109.06521	5.4
109.10159	29.7
111.04456	11.3
111.08086	6.1
119.08615	7.4
121.06500	4.5
121.10146	41.1
123.04430	1.9
123.08053	4.5
123.11685	4.0
124.07652	1.9
125.05974	1.5
125.09639	7.4
127.03940	11.5
131.08563	4.5
132.18665	1.4
133.10150	12.3
135.08052	8.9
135.11684	6.6
137.05927	3.0
137.09625	16.4
139.11195	6.5
145.04982	3.8
145.10120	4.1
147.11678	5.4
149.09624	7.3
149.13255	19.1
151.11174	27.3
153.09079	4.2
158.10887	2.2
161.09621	2.5
163.13300	3.8
163.14821	12.1
165.12767	3.2
167.07024	3.1
167.10684	29.2
169.12216	4.9
173.13258	15.2
187.05997	1.9
191.14313	59.8
209.15372	58.1
214.08530	3.4
227.16422	100.0
278.35037	1.6
280.10745	4.5
439.19635	2.6
475.21509	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01881	3.2
55.05511	4.8
56.19329	1.7
56.31655	1.6
57.03438	6.3
59.05006	2.9
61.02924	2.6
67.05507	8.0
67.49110	1.6
69.03436	17.5
69.07065	7.0
69.68633	8.8
71.04981	8.0
79.05499	7.3
81.03434	9.1
81.07072	11.5
83.04969	8.9
83.08623	6.4
85.02911	29.2
87.00828	6.5
91.05485	6.3
93.07048	12.1
95.04964	3.8
95.08620	14.7
97.02913	8.7
97.06541	6.0
98.20721	2.2
99.04478	4.2
105.01871	5.0
105.07035	7.2
107.04973	2.1
107.08604	48.7
109.02877	6.2
109.06524	7.0
109.10165	33.9
111.04459	9.9
111.08067	3.8
119.08582	4.0
121.06538	4.4
121.09322	3.6
121.10154	45.2
123.04526	2.3
123.08060	3.2
123.11732	5.3
125.09656	6.9
127.03921	13.4
129.09067	2.3
131.08566	6.0
133.10143	13.0
135.08022	10.9
135.11708	6.8
137.05965	3.0
137.09648	16.7
139.11192	7.7
145.04987	4.4
145.10172	3.5
147.11702	5.7
149.09627	7.9
149.13268	21.2
151.11194	32.9
153.09082	4.7
161.09706	2.2
163.13400	3.9
163.14830	13.5
164.13667	2.9
165.12831	3.5
167.06999	3.6
167.10695	25.0
169.12265	5.8
173.13329	14.9
191.14322	56.9
196.84888	2.0
209.15382	65.1
209.17378	3.7
214.08632	5.1
227.16440	100.0
231.05098	2.5
280.10776	3.8
291.09485	2.0
300.82898	1.9
475.21164	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29885	0.7
53.03952	1.2
55.01884	1.6
55.05503	1.6
57.03418	1.0
59.04994	0.7
61.36364	0.6
67.05487	2.2
68.93037	0.6
68.99796	0.7
69.03439	5.9
69.07062	1.8
69.56339	0.7
70.78963	1.4
70.79334	1.5
71.05000	7.4
74.36380	0.6
79.05489	0.9
81.03426	4.6
81.07043	3.0
83.04987	1.0
83.08604	1.3
85.02438	1.0
85.02915	12.0
85.06535	2.5
87.00854	4.7
91.05507	1.3
93.07075	4.5
94.45936	0.7
95.04978	88.0
95.08618	3.7
97.02911	4.6
97.06550	3.7
99.04465	37.9
99.05005	0.5
99.08087	1.2
105.01876	3.7
105.07038	4.9
107.08582	4.2
109.02868	4.3
109.06542	2.9
109.10166	5.9
111.08083	0.9
115.03942	0.8
115.07581	3.4
119.08569	2.3
121.06567	0.7
121.10151	3.7
123.08047	1.2
123.11705	1.7
125.09669	0.7
127.03941	6.1
131.08554	2.3
133.10146	18.1
135.08047	2.9
135.11676	0.8
139.11191	2.1
141.01797	0.7
145.04973	2.8
145.10139	1.5
147.11775	1.1
149.13293	2.8
151.11153	3.5
153.09122	40.2
155.06831	0.7
159.02916	2.4
161.09595	3.1
163.07634	1.2
163.11137	1.1
163.14828	1.8
165.09148	1.5
169.12209	0.7
173.13287	8.7
176.41228	0.7
179.10768	1.0
191.14319	11.1
209.15388	100.0
227.16438	26.7
231.04988	0.8
402.05679	0.7
475.21765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2691
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03942	2.7
55.01875	5.9
55.05270	1.5
55.05515	19.2
57.03432	4.2
58.82469	0.7
65.03941	1.2
67.05505	21.6
69.03416	3.1
69.07077	6.7
71.04990	2.5
71.27769	1.8
79.05493	19.6
81.03423	9.2
81.07065	18.6
83.04986	3.2
83.08624	8.5
85.02924	0.8
85.06511	1.4
91.05486	15.5
93.07051	10.7
95.04978	8.5
95.08607	11.0
97.02895	0.9
97.06519	2.3
97.10177	11.3
103.05479	1.6
105.03323	0.8
105.07039	9.0
107.04964	9.3
107.08591	10.7
109.02892	4.8
109.06508	3.3
109.10162	7.3
111.04453	0.8
111.08070	1.6
115.05437	1.5
117.07013	8.2
119.04978	2.8
119.08578	6.5
121.02884	1.1
121.06528	5.8
121.10162	4.4
123.04435	1.8
123.08048	3.3
123.11688	1.3
125.02383	2.9
125.09644	8.0
128.06219	1.6
129.07014	5.9
130.07707	1.3
131.04979	4.3
131.08571	7.1
133.06482	6.5
133.10126	3.6
135.04419	2.2
135.08038	4.3
135.11714	2.5
137.05974	1.2
141.06998	2.9
142.07735	1.1
143.08548	5.4
145.06479	8.7
145.10150	6.3
147.04469	4.5
147.05511	0.8
147.08041	4.8
147.11694	2.2
149.05983	1.5
149.09634	2.9
153.09099	1.6
154.07866	1.0
155.08614	4.1
157.06473	2.2
157.10149	3.5
159.04424	1.5
159.08046	5.6
159.11687	2.1
160.05199	3.0
161.05988	18.6
161.09633	2.4
163.11169	4.3
165.06975	1.1
165.09134	2.6
167.08560	2.9
169.06454	1.7
169.10133	2.5
171.04425	0.9
171.08023	4.9
171.11728	2.5
172.08669	0.9
173.06003	4.2
173.09584	6.3
175.07568	3.3
175.11154	1.9
179.08534	1.0
181.10237	1.3
183.08098	3.4
183.11726	2.7
185.05922	1.2
185.09692	2.1
185.13289	2.3
187.07582	2.2
187.11186	1.8
187.14818	1.0
189.09213	1.9
189.11226	2.5
191.10663	2.3
193.10268	2.0
193.12273	3.4
195.08104	1.2
195.11694	1.3
197.09604	2.4
197.13254	1.2
199.11079	1.9
201.12773	1.5
203.14317	1.6
205.12247	2.1
209.09657	1.6
211.11206	3.7
213.12770	2.2
221.09555	0.9
223.11269	1.1
225.12758	3.2
227.12752	1.9
229.12311	1.6
231.13828	3.5
235.11060	1.3
237.11176	1.8
243.13731	3.9
255.13701	1.2
257.15253	1.0
259.13440	1.1
269.15427	3.5
271.13297	3.8
273.14752	5.4
285.14871	0.8
287.16415	1.7
289.14331	13.3
299.16547	1.3
303.16101	1.9
319.20544	1.1
337.21732	2.5
347.20193	2.1
355.22705	4.6
365.21164	9.8
373.23724	1.8
383.22211	54.3
384.22516	1.2
393.24399	1.2
395.21896	0.9
401.23288	21.7
403.22626	2.6
419.24265	3.6
421.23749	3.5
431.24463	4.5
439.24844	7.4
457.25873	49.1
475.26953	100.0
476.27368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03475	1.1
53.03951	10.9
55.01878	5.5
55.05516	23.5
57.03435	4.1
57.07069	1.8
65.03946	4.6
67.05506	78.5
69.03444	1.7
69.07068	22.4
71.01359	1.7
71.04996	3.7
73.02914	1.9
73.06566	1.4
77.03909	2.5
79.05496	83.7
79.69313	1.2
81.03422	14.3
81.07059	88.3
83.04987	15.3
83.08627	14.3
85.06561	4.8
91.05485	55.5
93.07044	86.2
95.04987	20.6
95.08606	37.1
97.02901	1.9
97.06528	11.3
97.10194	3.0
98.21514	2.7
99.04461	1.7
99.08098	3.1
103.05480	1.4
105.04558	2.6
105.07030	37.9
106.01524	1.3
107.04960	7.9
107.08593	34.3
109.06505	7.5
109.10152	8.8
111.04532	1.4
111.08076	7.9
113.09677	1.6
115.05497	1.7
117.07016	13.0
119.07758	0.9
119.08578	22.9
121.06508	2.9
121.10133	19.9
123.08073	6.2
123.11699	2.7
125.09645	2.3
127.07590	1.8
128.06262	2.8
129.07025	13.7
131.08557	11.0
133.06491	1.8
133.10127	17.0
133.11047	1.3
135.08093	2.7
135.11703	10.9
142.07735	1.1
143.08565	8.1
145.10104	9.1
147.08057	3.1
147.11688	29.8
147.12787	1.8
149.09622	2.1
149.13263	25.6
151.11244	1.4
153.12778	1.5
155.08640	1.0
157.10173	1.6
159.11700	12.2
161.09715	3.9
161.13239	13.7
163.11267	3.5
163.14845	2.6
171.11688	25.3
175.14882	2.1
177.12819	4.8
179.14349	2.3
181.10245	1.0
187.14777	2.1
189.12701	10.8
189.16489	1.1
191.04112	1.1
193.12372	2.2
195.13737	5.7
203.14346	1.3
207.13811	32.8
207.15715	2.0
214.16808	1.1
225.14941	3.4
251.16565	1.7
272.06778	1.4
281.17755	1.7
358.63992	1.4
383.22375	4.2
401.22745	1.3
407.33386	2.4
423.08289	1.7
439.32013	1.9
457.25955	3.2
457.32880	3.2
475.30777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.342
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.05501	6.5
57.07069	3.9
67.05509	13.7
69.03426	2.2
69.07059	15.2
70.60899	4.9
79.05488	13.0
81.03396	2.3
81.07064	28.8
83.08624	7.9
85.06544	2.5
91.05470	14.6
93.06476	2.8
93.07042	36.9
95.04975	4.9
95.08607	53.9
97.06539	5.6
97.10168	4.6
98.18827	2.1
99.08102	3.9
103.05426	2.3
105.07043	24.2
107.04979	3.4
107.08595	45.7
109.06510	6.4
109.10162	23.0
111.04379	2.0
111.08088	4.4
117.07030	1.8
119.08583	34.6
121.06514	6.0
121.10147	81.4
123.08080	5.2
123.11731	11.4
125.09599	2.3
127.92875	1.7
131.08582	8.1
133.10153	22.9
135.11691	38.9
137.09625	3.8
137.13295	4.1
139.07574	5.8
143.08591	2.7
145.10135	12.7
147.11679	15.7
149.09608	3.2
149.13249	12.4
151.07553	2.5
153.12700	2.3
157.10175	5.3
159.10513	2.2
159.11644	12.4
161.09639	4.2
161.13298	7.4
163.11249	2.5
163.14830	76.3
165.09106	3.6
165.12805	3.5
171.11687	3.5
173.09596	2.7
173.13239	10.9
175.14835	29.4
177.12733	3.1
177.16399	14.4
179.14316	3.3
185.13300	4.1
187.14848	7.9
189.16403	14.5
191.10710	2.2
191.14323	5.2
191.17958	5.5
192.15065	4.2
193.15898	16.2
197.13416	2.1
199.14830	3.1
201.16391	9.9
203.14299	1.8
203.17960	3.9
207.17485	2.8
209.19087	3.6
211.14857	3.1
213.16374	2.8
217.15866	3.9
217.19582	4.2
219.17477	5.0
227.18164	2.7
229.15845	2.7
229.19377	4.0
231.17422	2.8
235.16914	6.0
247.16920	4.8
265.17947	4.1
271.20685	2.7
274.64774	2.1
285.18530	2.1
293.17545	9.8
335.22339	2.2
383.32993	2.2
393.31500	6.4
399.31952	2.0
411.32617	10.9
429.33572	31.0
432.22675	2.3
439.31738	3.5
439.35919	2.2
457.33060	100.0
475.34070	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	475.3785
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
55.05514	8.2
57.07066	3.7
67.05238	1.3
67.05518	14.0
69.07074	13.2
71.04991	1.4
71.54279	1.4
79.05496	4.9
81.07058	24.9
83.04971	1.5
83.08631	6.5
91.05488	5.9
93.07037	16.5
95.04962	1.8
95.08611	77.3
96.31143	1.4
97.10170	5.4
105.07049	14.3
107.08592	31.6
108.52388	1.3
109.06584	3.1
109.10165	54.6
111.11730	3.7
117.06976	2.3
119.08585	32.4
121.10154	30.2
123.08037	2.6
123.11711	12.4
131.08551	8.8
133.10138	25.0
135.11708	17.6
137.09610	3.0
137.13260	3.1
139.07523	1.5
143.08578	2.6
145.10118	20.1
147.11703	12.2
149.13263	21.2
157.10092	4.5
158.10892	2.9
159.11710	10.0
161.09560	2.2
161.13292	8.7
163.11360	1.5
163.14821	4.0
171.11636	2.5
173.09654	2.5
173.13268	30.8
175.14833	14.8
177.16367	2.3
185.13217	2.7
187.14835	60.1
189.12807	1.7
189.16396	47.4
189.43401	1.3
191.17882	6.8
193.15872	8.2
199.14804	2.3
201.16383	5.1
203.14319	2.1
203.18066	2.3
205.19524	66.1
207.17523	2.6
207.19511	1.3
213.16328	1.5
215.14362	10.3
215.17978	5.3
217.15868	8.7
223.56609	1.4
225.16255	1.5
229.19531	2.7
231.17435	3.5
233.15393	3.3
233.19035	3.2
246.22942	1.3
265.19418	1.8
309.42236	1.3
314.30853	1.3
321.64880	1.3
403.33585	6.1
421.34683	100.0
422.34866	2.1
439.35901	29.1
457.36548	4.6
475.32547	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	475.3786
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
52.23519	1.8
55.05504	15.1
57.07067	4.6
58.12708	1.9
59.85154	1.8
61.00315	2.2
67.05507	21.2
69.07068	23.7
69.44140	7.4
69.44564	8.4
71.04992	2.7
71.08607	2.9
77.02995	1.8
79.05500	13.0
81.07063	54.9
83.08611	14.0
85.06529	3.2
91.05470	12.7
93.07050	37.2
95.04985	2.2
95.08611	100.0
95.73080	1.9
97.06536	3.2
97.10168	7.1
105.07041	28.4
107.08598	67.9
109.06535	3.3
109.10161	80.0
111.08097	4.6
111.11713	5.1
117.06998	2.1
119.08579	62.4
121.06527	2.5
121.10147	48.7
123.08045	3.7
123.11707	22.2
131.08574	9.2
133.10126	35.9
135.08060	8.6
135.11702	45.3
137.09634	3.7
137.13246	4.0
139.07545	4.9
145.10170	10.7
147.11691	24.7
149.09557	10.1
149.13257	13.1
151.07585	2.5
151.11125	5.2
151.14821	2.3
153.09116	25.1
157.10155	4.8
159.11702	8.5
161.09566	3.6
161.13264	13.3
163.11226	2.8
163.14842	9.4
165.09105	8.3
167.10667	4.5
171.11684	4.6
173.13231	8.0
175.11169	5.4
175.14832	10.4
176.54132	1.8
177.12784	2.9
177.16368	12.2
179.10710	4.1
183.11638	2.0
185.13298	2.3
187.14851	10.3
189.12735	4.2
189.16383	87.8
191.17950	94.8
193.12152	3.3
199.14894	3.2
201.16438	3.5
203.17906	9.3
207.17444	22.1
209.19003	62.1
213.16426	5.6
215.17920	2.8
217.15749	2.9
229.19524	4.6
231.17453	10.2
235.16972	8.7
241.86597	1.9
243.20949	1.9
249.18503	77.1
253.19514	2.2
255.20869	2.3
265.21609	3.3
267.19565	6.1
285.22137	9.5
287.20102	3.5
315.10712	2.7
409.34796	3.9
411.36200	2.5
421.34894	9.4
425.33923	3.0
427.35797	15.1
439.35852	13.7
443.35159	12.7
457.36887	23.6
475.32788	4.2
475.38068	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3782
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
55.05498	15.9
57.07085	20.8
67.05520	28.0
69.07071	40.5
69.30588	26.6
69.31003	8.9
71.04996	5.6
79.05481	18.2
81.07057	66.7
83.08609	16.8
85.06528	6.6
91.05476	15.3
93.07048	42.2
95.08610	89.4
97.06533	6.2
97.10158	12.3
98.98782	3.9
99.04433	6.0
105.07040	34.3
107.08596	61.5
109.10156	58.3
111.11723	11.6
117.07047	7.5
119.08577	47.7
121.10159	41.8
123.08054	6.6
123.11700	49.3
131.08562	17.9
133.10123	36.3
135.11707	34.0
137.09554	3.9
137.13252	17.7
137.96790	4.1
139.07413	3.8
141.27000	4.7
143.08571	7.5
145.10147	24.7
147.11703	30.2
149.09554	3.8
149.13219	23.6
150.61292	4.8
151.14813	5.4
157.10123	7.2
159.11681	23.1
161.09610	4.2
161.13197	20.7
163.11160	6.9
163.14825	14.0
169.12250	4.8
171.11690	6.5
173.13220	20.5
175.14796	14.8
177.16394	10.7
183.11673	6.7
185.13170	4.7
187.14847	16.2
189.16373	10.9
193.15868	6.6
195.13811	8.5
199.14862	6.3
201.16385	11.1
203.17868	10.9
207.13777	6.5
207.17517	5.2
209.15486	6.5
215.17975	10.7
217.19572	28.8
223.16901	6.8
224.03738	4.8
227.17885	9.1
229.19435	9.9
231.21034	24.6
233.19165	5.4
241.19548	8.8
243.21088	33.4
245.22610	5.9
251.04720	46.2
251.20120	4.7
252.83015	3.8
255.21002	10.0
257.22626	10.1
263.20197	4.3
269.22592	16.3
271.24191	9.4
275.20193	5.4
283.23993	11.7
297.25870	5.4
307.10895	19.1
354.81815	5.0
363.17114	45.1
391.75549	4.6
419.24115	9.5
427.35831	58.9
429.37195	15.0
439.35751	100.0
457.36755	86.3
475.31674	22.8
475.38242	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	475.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36160	1.9
55.05503	10.1
67.05507	10.7
69.07074	14.7
71.04971	2.1
71.53268	2.9
75.04507	2.3
79.05515	7.6
81.07060	33.1
83.08627	4.4
91.05473	11.5
91.63486	2.0
93.07050	21.7
95.04977	8.4
95.08616	53.2
97.06522	6.6
97.10190	2.7
99.08134	3.9
105.07034	54.7
107.08588	36.6
109.06544	7.3
109.10165	25.8
111.08086	4.9
111.11732	7.2
116.07864	2.2
117.07044	2.2
119.08588	36.3
121.06536	3.2
121.10149	31.2
123.08116	5.4
123.11754	10.9
125.06020	2.6
131.08589	6.4
133.10149	29.6
134.85284	2.0
135.08104	5.5
135.11696	27.3
137.09615	4.9
139.11209	6.9
142.07793	2.6
143.08575	6.7
144.09331	2.4
145.10199	10.2
147.08063	3.3
147.11699	11.8
149.13269	5.0
151.11224	3.1
153.09161	3.6
156.09445	3.9
157.10155	12.8
159.11700	12.9
161.09593	4.4
161.13249	5.9
171.11734	12.3
173.13278	10.8
175.11378	3.3
175.14833	50.6
185.13377	4.4
187.14822	5.3
189.12741	3.5
189.16399	6.1
191.17957	63.8
193.15834	3.5
203.17979	3.7
207.17592	2.3
209.19016	100.0
213.16394	22.6
219.17523	2.6
231.17438	28.8
249.18498	23.4
267.19559	19.5
339.71890	2.2
377.92752	2.0
421.34631	3.4
439.35831	4.0
457.36719	8.2
475.38699	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	475.3784
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
52.73656	1.9
55.05502	9.9
56.96566	2.0
57.07067	5.1
59.85810	2.4
61.02925	2.6
61.21899	1.9
62.35323	2.1
65.03938	2.2
67.05508	20.8
69.07078	13.7
71.08588	2.3
71.54179	2.5
79.05482	12.8
81.07056	40.9
83.04979	2.3
83.08607	8.1
91.05475	14.4
93.07056	28.2
95.04955	3.2
95.08607	100.0
97.06494	2.7
97.10169	7.0
105.07034	33.7
107.08599	33.8
109.06518	3.2
109.10158	57.5
111.11704	3.4
119.04906	5.2
119.08591	32.8
121.06487	3.9
121.10143	38.2
123.08072	5.6
123.11687	15.4
125.44802	2.1
129.07047	3.3
131.08556	10.6
133.10144	26.1
135.08066	4.8
135.11694	32.1
137.09627	4.0
137.13251	4.0
143.08574	4.2
145.10162	10.1
147.04433	34.2
147.11694	18.0
149.09659	3.5
149.13266	18.9
157.10124	5.1
159.11716	11.8
161.09608	3.2
161.13217	12.9
163.11140	4.7
163.14822	10.8
169.09885	2.1
171.11635	5.6
173.13240	6.2
173.99826	2.5
175.14783	13.6
177.16377	11.6
185.13243	4.7
187.14873	9.7
189.12808	2.7
189.16385	37.1
191.10594	2.5
191.17937	8.7
199.14838	4.2
203.14291	3.0
203.17987	5.9
205.15840	9.6
205.19521	39.9
207.17509	4.6
213.16321	2.6
215.14206	2.9
215.18015	4.9
217.15892	42.1
219.17491	2.6
223.16930	3.0
225.16273	2.5
227.17839	2.2
229.19279	1.9
231.17218	2.8
233.15363	3.5
233.18857	2.6
235.16966	3.3
239.17987	3.0
247.17020	3.1
254.31195	2.1
259.08551	2.7
285.09955	2.6
333.30048	2.3
379.00824	2.4
381.35336	2.5
403.33463	2.6
409.34662	14.2
421.34888	22.3
427.80371	2.2
439.36087	46.6
457.37131	73.5
475.38220	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	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03942	1.9
55.01875	4.2
57.03434	1.9
59.04994	2.1
60.04528	0.4
61.02921	1.6
65.03956	0.5
68.99789	0.8
69.03432	8.3
69.93335	1.9
70.06594	0.5
71.04986	1.5
72.08150	0.5
73.02917	2.2
74.06090	0.4
75.88984	0.5
79.05492	4.3
80.63765	0.4
81.03422	7.3
85.02907	17.3
87.00826	7.2
87.04475	0.5
89.03916	0.6
89.06042	2.0
91.03956	0.4
91.05473	2.9
95.04994	1.0
97.02895	8.7
98.06055	0.5
99.04458	3.4
103.05461	4.7
103.07615	2.0
105.01865	5.3
105.03403	0.4
105.07033	45.2
107.04948	3.2
108.04489	4.1
109.02885	7.9
115.03928	1.2
115.05449	9.3
117.01863	1.4
118.04156	3.1
119.04939	1.1
121.02852	0.5
123.04471	0.6
126.05516	1.7
127.03925	11.7
129.01874	0.6
131.04939	1.4
133.06493	48.1
137.05934	0.6
138.09151	1.2
138.95145	0.4
143.04942	1.0
143.06026	5.1
145.04982	6.2
147.02921	0.6
147.04388	1.4
147.10214	0.8
149.05988	1.2
153.01855	0.9
153.05362	0.5
159.02895	4.3
161.05980	96.5
162.06430	0.4
163.11174	0.5
165.05536	0.7
165.09109	1.2
166.08591	3.0
167.07111	0.9
173.05910	0.5
175.14786	0.5
184.09616	0.6
192.44360	0.4
193.08609	100.0
194.08881	0.6
208.93361	0.4
211.09702	1.5
230.06648	1.3
231.04967	1.5
244.89688	0.4
248.07704	2.1
266.08749	0.5
297.19122	2.8
344.48627	0.4
346.92554	0.4
476.20633	1.2
496.04321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05508	8.6
57.03420	3.4
57.07064	1.2
58.50231	1.1
62.05793	2.2
62.06092	34.6
65.03931	1.2
67.05180	1.6
67.05511	27.7
69.07067	8.2
71.04987	1.5
71.08664	1.0
71.40267	1.5
79.05499	18.4
81.03401	3.2
81.07056	21.4
83.04990	2.6
83.08610	4.5
91.05482	11.5
92.05769	1.2
93.07044	18.4
95.04958	3.3
95.08060	1.8
95.08610	22.1
97.06532	2.3
97.10162	1.8
98.06062	1.7
98.98463	7.4
99.08081	1.5
105.07037	7.6
107.04980	1.6
107.08591	9.5
109.06519	1.1
109.10152	9.1
111.08079	1.4
117.06992	2.7
119.08618	6.2
121.10153	8.2
123.11671	2.4
124.01575	1.9
125.09660	1.1
129.06941	1.4
131.08560	3.8
133.10132	4.6
135.11758	5.0
142.02635	1.4
145.10127	2.8
147.11667	3.8
149.13350	2.6
155.01036	2.2
159.11668	3.3
161.13234	2.5
163.14746	1.3
173.02150	1.9
173.13171	2.7
175.14809	2.0
177.16286	1.2
187.14851	1.2
198.05309	2.1
216.06314	3.6
245.39973	1.0
247.79836	1.2
261.22095	5.8
301.04880	1.1
304.26364	17.3
317.24753	1.5
335.25806	100.0
336.26358	1.1
356.14645	1.6
356.64560	1.1
384.39703	1.0
415.22424	2.5
440.32196	1.9
458.26535	10.5
476.27621	10.2
477.28595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.3
53.03941	0.9
53.63758	0.3
55.01862	0.5
55.05273	0.4
55.05519	5.8
56.96576	0.3
57.03444	7.0
57.07063	0.6
60.05136	0.3
62.06094	0.4
65.03934	1.4
66.66899	0.3
67.05512	27.3
69.03416	0.5
69.06725	0.6
69.07071	6.6
69.93428	0.3
71.04976	0.7
79.05503	13.9
79.10510	0.3
81.03411	0.8
81.07066	22.0
83.04994	0.9
83.08629	2.6
85.06537	0.5
91.05495	7.8
93.07053	15.6
95.04968	0.8
95.08617	18.4
96.08967	0.4
96.25410	0.3
97.06538	1.3
97.10166	1.1
105.04557	0.4
105.07043	4.3
107.08609	7.1
108.08916	0.4
109.06485	0.4
109.10165	7.2
111.08052	0.9
116.42098	0.3
117.07029	1.5
119.08586	3.7
121.10154	5.0
122.10480	0.3
123.08042	0.5
123.11745	2.0
124.01579	0.8
125.09675	0.5
129.07031	0.3
131.08534	1.8
133.10152	1.9
135.11688	2.8
136.89937	0.3
145.10129	1.2
147.11691	1.6
149.13255	1.1
159.11717	0.9
161.13266	0.9
163.14874	0.5
173.13274	0.7
175.14737	0.3
187.14841	0.5
198.05191	0.4
216.06335	0.9
230.07446	0.3
261.22165	0.7
290.72086	0.3
304.26404	2.1
335.25827	100.0
336.26154	1.3
410.31741	0.4
458.26187	0.5
476.27335	0.5
477.27710	0.4
500.90210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.5
57.07066	8.5
67.05494	10.5
69.07074	16.9
71.05003	3.9
71.09280	6.9
71.18476	2.9
81.07072	25.9
83.08625	5.6
93.07049	11.1
95.08604	32.1
95.89894	2.9
97.10219	4.9
99.04448	4.3
105.07098	7.7
107.08576	24.1
109.10168	27.0
111.11675	3.2
119.08562	17.1
121.10156	26.8
123.11707	20.3
133.10146	16.1
135.11696	17.1
137.00862	2.6
137.13258	11.0
145.10112	5.0
147.11693	13.4
149.13268	10.5
153.09135	3.0
159.11652	4.2
161.13271	11.1
163.14786	4.2
175.14844	7.6
181.12262	4.9
187.14757	5.1
189.16447	7.0
191.17873	6.4
195.13829	4.8
201.16394	4.8
203.17967	12.2
205.19495	10.6
217.19559	11.9
219.21092	3.9
223.16977	7.1
237.18437	7.2
245.22661	7.7
251.74263	3.0
252.05049	3.4
271.24313	5.7
316.47855	3.1
435.12958	2.8
440.02148	3.1
441.37378	100.0
476.32516	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	476.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88702	5.6
55.05509	20.1
57.07069	12.8
67.05502	29.8
69.07076	41.2
69.26701	14.6
69.27110	42.6
71.04995	6.1
79.05499	18.5
81.07065	81.4
83.08619	16.2
91.05495	22.0
93.07069	54.9
95.08617	100.0
97.06526	7.5
97.10160	10.0
98.20765	8.7
99.08051	5.5
105.07043	41.4
107.08598	72.9
109.06557	9.2
109.10168	72.4
111.80331	6.2
119.08595	47.7
121.10139	54.4
123.11710	42.2
131.08536	15.0
132.63165	6.7
133.10158	30.0
135.11710	57.0
137.13251	12.1
145.10139	19.3
147.11707	27.6
149.13289	23.1
152.60799	6.4
153.12808	6.5
157.10069	5.6
158.97902	5.6
159.11702	23.2
161.13290	17.9
163.14879	11.3
170.70984	6.2
173.13316	9.7
175.14851	11.3
177.16347	8.2
187.14914	9.2
189.16405	13.1
191.17908	26.9
201.16321	9.7
203.17845	6.0
213.16364	5.9
213.92787	5.6
215.18071	6.7
217.19644	7.1
229.19559	11.9
251.04660	7.0
252.05084	8.4
269.22427	6.3
336.39261	5.7
364.17773	8.6
476.32785	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	476.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05894	7.8
55.05507	18.9
57.07082	14.9
67.05497	27.2
69.07088	39.9
69.57098	8.3
70.65402	15.7
70.65768	11.0
71.04991	14.7
76.73347	7.1
79.05488	28.4
81.07063	100.0
83.08617	12.7
84.36041	7.0
88.24252	7.2
91.05488	16.3
91.47975	7.4
93.07037	35.8
93.69036	8.0
95.08619	77.0
97.10192	8.2
105.07042	40.2
106.06545	8.7
107.08604	47.6
109.06535	7.9
109.10149	49.0
111.08117	7.4
119.08613	39.0
121.10162	37.8
123.11719	21.3
125.09633	13.8
127.11267	8.2
131.08557	21.5
133.10136	27.4
134.05978	9.3
135.11726	21.2
137.13242	9.4
143.10655	21.0
145.10143	17.3
147.11673	19.7
149.13289	23.0
151.21597	7.5
159.11708	18.6
163.14816	8.6
169.12241	9.5
173.13300	12.9
182.91414	7.3
187.14835	9.1
203.17863	12.9
251.04712	20.3
252.05156	14.4
308.11221	11.3
364.17709	18.2
476.32605	20.4
486.18344	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	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
69.07072	11.1
70.32702	0.5
70.87772	1.6
71.64860	0.5
84.08155	2.9
86.09708	100.0
91.05492	1.2
96.08130	0.8
98.09689	0.9
106.06560	0.9
109.73793	0.5
115.05499	1.6
115.57160	0.5
117.07040	2.1
119.04958	1.6
132.08104	2.7
133.06522	1.5
134.06027	2.4
135.06857	0.8
137.06007	0.8
143.04907	1.1
144.07979	0.5
145.06491	9.3
147.04419	7.5
147.08073	0.7
148.07539	1.1
149.05978	1.9
154.15909	4.3
154.88533	0.5
160.07587	49.9
161.06013	0.6
162.09163	4.2
164.07111	3.1
170.06033	1.1
171.04427	5.8
172.07716	0.7
173.06010	1.0
177.05504	0.9
177.10228	10.1
178.08702	1.8
188.07167	1.4
189.03755	0.8
189.05470	16.4
191.07104	1.5
199.18051	6.8
206.08133	50.2
223.10779	42.8
227.17542	8.6
228.13828	0.9
230.15442	0.6
238.91095	0.5
245.16479	4.2
246.14798	3.3
247.18054	1.7
257.16812	0.6
273.16077	1.0
274.14450	2.0
290.18652	5.5
291.17047	12.7
301.15527	5.1
318.18134	2.5
319.16547	28.6
336.19180	35.4
346.17633	1.3
346.52545	0.6
347.16052	2.9
364.18628	14.1
365.19638	0.6
392.18167	0.7
414.23865	0.9
431.26474	6.5
432.24921	12.6
449.27600	19.2
459.26193	2.0
460.24387	6.3
477.27151	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.9
55.05512	49.7
57.03431	12.7
65.03931	3.9
67.05505	51.4
69.03429	6.9
69.07065	14.3
79.05065	5.2
79.05499	62.8
81.03421	66.1
81.07057	50.8
83.04988	14.8
83.08620	38.5
85.02895	6.5
85.06528	4.0
91.04976	4.4
91.05490	51.2
93.07047	35.9
95.04968	35.2
95.08601	23.6
97.06526	5.2
97.10175	39.9
99.08099	2.6
105.07020	32.9
106.03882	2.7
107.04961	26.6
107.08611	28.5
109.02881	2.6
109.06513	8.9
109.10168	12.9
111.08089	7.9
115.05393	3.4
117.06995	15.2
119.04882	3.3
119.08599	23.5
120.45393	3.4
121.06499	25.8
121.10154	12.2
123.04478	3.3
123.08084	9.0
123.11745	3.1
125.09646	29.5
128.06238	2.9
129.07004	21.8
131.04900	4.4
131.08586	24.0
133.06511	12.5
133.10167	15.7
135.08040	10.9
135.51442	2.6
141.06975	4.8
143.08582	7.6
145.06490	15.5
145.10115	10.9
147.08038	11.4
147.11714	14.3
149.09647	7.7
153.09076	6.1
155.08604	5.3
157.06522	4.3
157.10136	19.9
158.35512	2.3
159.08011	8.2
159.11674	3.9
161.05986	3.9
161.09659	3.2
162.69792	2.6
163.11147	4.4
165.12775	5.5
167.08443	2.4
169.10152	6.5
171.08078	4.3
171.10143	5.4
171.11659	5.9
173.09607	3.9
175.11154	13.4
177.12769	3.4
181.10083	3.3
185.09561	3.8
189.11218	14.1
193.12247	41.9
195.11705	2.9
197.09550	3.1
197.13283	4.0
199.11197	4.3
203.14259	4.5
205.12181	4.7
211.13242	16.4
213.12820	4.8
215.14272	8.6
227.12721	17.2
231.13739	3.6
233.15363	11.9
239.14287	2.8
241.14426	3.5
245.15468	3.9
249.14899	6.5
255.13895	4.2
267.15891	43.0
273.14880	11.1
339.23123	6.4
341.21140	5.6
349.21765	19.2
357.24200	9.2
367.22696	38.9
385.23758	71.4
403.24829	22.1
433.25873	12.5
441.26401	8.3
459.27411	100.0
477.28482	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01861	12.9
55.05517	52.2
57.03439	16.6
58.62499	2.1
59.05014	3.5
65.03927	4.7
67.05505	64.7
69.03414	8.6
69.07068	15.1
69.26860	21.3
71.01360	2.7
71.04985	8.9
79.05493	71.3
79.05952	3.5
81.03417	92.6
81.07056	63.0
83.04974	18.8
83.08627	32.7
85.02905	10.6
85.06538	5.3
91.05486	70.7
93.07047	50.0
95.04964	37.1
95.08609	30.0
97.02917	5.5
97.06524	11.0
97.10175	30.8
99.08103	3.7
104.67872	2.2
105.07029	43.3
107.04966	25.4
107.08591	30.8
109.06533	9.3
109.10133	13.0
111.04427	3.2
111.08097	11.3
117.07021	19.6
119.04953	4.2
119.08578	31.7
121.06512	24.6
121.10158	13.8
123.08064	9.9
123.11715	5.2
125.09627	27.4
128.06229	3.9
129.07004	25.6
131.08598	28.7
133.06523	10.3
133.10127	18.2
135.04428	2.9
135.08060	8.1
135.11708	6.8
135.80351	2.5
137.09619	4.1
141.07002	5.1
142.07759	6.5
143.08568	7.9
145.06503	15.1
145.10089	14.2
147.08034	11.8
147.11702	18.6
149.09641	10.4
149.13295	3.6
153.09113	7.4
153.12776	3.8
155.08589	4.1
157.06514	3.4
157.10100	23.4
159.08095	5.4
161.06013	4.5
161.09656	3.0
163.11237	6.1
163.79128	2.5
165.12759	4.5
169.10100	2.7
171.08012	3.0
171.10229	4.6
171.11647	5.9
175.11185	19.1
183.08148	2.6
183.11668	3.8
185.13246	2.8
187.11133	3.6
187.14793	3.0
189.11252	15.4
189.12741	4.1
193.12231	53.6
195.11668	2.4
197.13278	3.4
197.21097	2.4
199.11192	4.6
205.12192	4.1
211.13254	28.4
213.12823	3.1
215.14452	4.3
217.12225	3.9
227.12651	11.7
231.13869	3.3
233.15414	9.0
237.12776	2.7
241.14529	3.3
249.14832	7.0
255.13808	5.4
267.15924	53.3
273.14896	9.3
287.16483	4.7
291.16031	2.6
294.82605	2.5
332.50568	2.6
339.23312	3.7
341.21091	4.0
349.21732	9.3
357.24353	5.7
367.22736	31.5
385.23758	54.9
403.24567	14.6
433.25894	10.9
441.26199	7.5
459.27362	100.0
460.27777	3.6
477.28510	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
55.01637	2.1
55.01879	10.6
55.05512	44.4
57.03443	12.1
57.63715	1.9
59.61506	1.7
65.03938	2.8
67.05506	42.2
69.03425	6.5
69.07068	9.7
69.48908	12.8
71.05009	4.5
73.73676	1.9
78.11840	2.0
79.05490	46.0
79.05909	3.3
81.02933	2.5
81.03418	44.3
81.07062	34.9
83.04968	6.1
83.08627	20.8
91.05484	32.4
93.07043	26.3
95.04976	26.3
95.08609	18.6
97.06538	4.7
97.10172	24.9
103.05394	1.9
105.04522	2.3
105.07037	21.9
107.04954	20.9
107.08604	23.3
109.06528	11.4
109.10160	8.4
111.08096	5.5
113.05976	1.9
115.05450	2.6
115.82163	1.7
117.06987	12.3
119.04935	2.8
119.08586	16.2
120.74088	2.0
121.06503	25.3
121.10146	8.4
123.04428	3.4
123.08076	6.7
125.09646	21.5
128.06239	2.4
129.05475	2.3
129.07002	14.6
131.04916	5.3
131.08568	16.4
133.06474	11.6
133.10143	9.0
135.08028	9.3
135.11696	2.0
141.07004	5.2
142.07776	3.8
143.08578	6.8
143.56070	2.2
145.06519	14.0
145.10089	9.2
147.08029	10.6
147.11685	6.4
149.09645	8.7
152.12810	1.8
153.09125	4.7
155.08568	6.1
157.06456	4.1
157.10114	12.7
159.08084	5.6
159.11719	2.6
161.06026	4.3
161.09654	3.9
161.13211	2.9
163.11209	6.3
167.08557	3.2
169.10141	6.8
171.08093	3.9
171.10252	3.1
171.11684	5.4
171.30362	2.0
173.09587	5.2
175.11217	7.5
181.10080	4.0
185.09642	2.9
187.11150	3.3
187.14822	2.5
189.09697	2.5
189.11241	11.8
189.12788	4.5
193.12260	20.3
197.09543	2.6
209.13335	3.3
211.11154	4.3
211.13155	3.4
213.12776	2.8
215.14423	5.3
225.12782	2.9
227.12704	17.1
231.13777	3.2
233.15331	15.0
235.13306	2.0
239.14288	2.4
245.15369	4.0
249.14891	2.5
255.13860	3.4
257.15445	2.2
267.15912	41.6
273.14862	8.8
275.16467	2.5
291.15714	2.5
323.20154	2.5
339.23166	7.6
341.21194	7.6
349.21454	9.8
353.37726	2.1
357.24271	7.1
367.22714	34.3
385.23730	50.1
386.24258	2.6
403.24731	25.4
415.24823	6.1
431.27652	2.9
433.25970	23.4
438.76346	2.2
441.26288	4.6
459.27417	100.0
477.28494	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3938
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
55.05502	9.3
56.26047	1.5
57.07079	4.0
59.57360	2.0
66.38068	1.9
67.05502	11.1
69.07068	18.9
70.93413	4.0
79.05490	12.4
81.03411	7.2
81.07055	38.0
83.08614	7.4
91.05470	8.4
93.07043	28.9
95.04983	4.0
95.08608	51.6
97.06501	3.0
97.10166	7.3
105.07020	20.7
107.08601	47.3
109.10162	36.0
111.08086	2.2
111.11722	6.3
117.07020	2.3
119.08578	32.2
121.10143	39.0
123.11694	21.3
125.13355	2.4
131.08592	10.4
133.10130	25.2
135.11702	35.7
137.13275	7.1
143.08553	3.5
145.10133	18.9
147.11687	22.8
149.13260	14.6
151.14818	2.0
157.10144	5.3
159.11685	16.7
161.13243	18.3
163.06268	1.6
163.14810	21.5
165.12794	2.5
171.11664	3.6
173.13278	15.3
175.14815	20.3
177.16386	18.6
179.14268	10.8
185.13255	4.8
187.14822	13.4
189.16377	25.5
191.14275	6.0
191.17937	13.3
199.14812	3.5
201.16351	16.7
203.17926	9.5
205.15964	2.1
205.19516	6.2
207.17442	22.4
213.16397	3.2
215.17950	25.0
217.19482	11.7
219.17439	73.5
227.18016	3.6
229.19560	9.9
231.21100	10.5
233.18903	6.7
241.19559	4.2
243.21097	19.6
245.22626	6.9
253.19563	3.4
255.21156	5.7
257.22632	6.9
259.24142	3.0
267.21075	2.8
269.22626	7.4
271.24216	4.2
281.22699	3.5
283.24121	3.9
285.25888	2.1
297.25717	5.2
299.23697	2.0
315.26993	3.4
327.26898	1.9
393.35211	18.1
395.36691	4.9
402.22855	2.0
405.35110	22.7
411.36215	100.0
412.36374	2.2
423.36191	54.4
441.37335	30.8
452.72897	2.0
459.38107	2.9
477.32431	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
55.01877	5.1
55.59769	0.6
56.96568	1.6
57.03446	4.7
61.02931	3.4
68.99790	1.3
69.03082	1.0
69.03436	16.4
69.07073	5.0
71.05004	4.1
71.53152	0.9
73.02921	4.0
74.09723	0.9
79.05489	2.8
81.02984	1.2
81.03427	16.4
81.07027	0.9
83.01328	0.7
83.04987	0.8
84.04520	0.9
85.02913	45.0
86.09718	0.8
87.00838	16.9
87.04474	1.2
91.03954	1.1
91.05480	2.1
93.07036	1.1
95.04980	3.0
97.02903	18.4
98.97605	4.9
99.04464	8.0
103.05511	3.2
105.01876	9.5
105.07031	3.5
107.04967	29.6
107.08592	1.2
108.04499	4.3
109.02884	14.3
109.06536	0.7
111.04446	1.9
115.03962	0.8
115.05463	2.5
116.98637	1.4
117.01874	1.9
117.07058	1.7
119.08553	1.3
120.05764	0.9
121.06537	2.0
121.10214	1.1
122.61089	0.6
123.04425	1.7
123.08095	0.8
124.05233	1.3
124.07574	1.2
125.05957	0.8
126.05521	2.2
127.03930	21.0
128.98628	0.7
129.01877	1.7
131.04936	2.0
131.08594	0.8
134.61700	0.6
135.08060	9.3
137.05984	2.0
137.52243	0.7
138.09116	0.9
139.03929	1.0
145.04971	10.6
145.07571	1.2
147.04483	0.9
149.06009	0.9
149.09636	1.6
153.01854	1.3
154.06276	1.6
154.08614	0.9
158.99681	1.3
159.02931	9.0
159.08096	0.9
161.02878	0.7
161.06030	1.1
162.03004	0.7
163.03920	0.8
163.06538	1.0
163.07559	28.1
167.07057	72.7
175.07684	0.7
176.03384	1.0
180.07848	2.2
180.10211	0.8
181.08627	6.3
187.07680	0.9
193.08609	1.2
195.10194	24.6
201.00764	1.2
205.08586	1.3
213.11240	100.0
215.09343	1.2
219.01723	1.1
219.10245	1.0
225.09262	0.9
230.06624	1.4
231.05038	3.5
237.02924	1.0
237.11171	1.9
248.07620	2.1
255.12265	2.2
266.08612	0.9
271.10004	0.9
279.12262	2.2
280.10818	1.6
280.60907	2.4
281.11502	1.9
285.11194	1.8
291.03882	2.0
303.12296	5.4
316.14026	1.7
321.13354	9.2
324.12268	0.8
478.17865	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01869	4.7
55.05506	4.8
57.03437	8.8
57.07076	2.2
59.04997	1.0
61.02924	3.6
65.03921	1.1
67.05506	3.6
69.03426	12.1
69.07069	38.2
70.07404	0.9
70.65533	2.9
71.01357	2.1
71.05004	1.3
71.68523	0.8
73.02921	12.5
79.05486	6.0
80.05827	1.0
81.03424	4.9
81.07059	7.4
82.07394	1.2
83.04979	1.4
83.08624	3.6
85.02908	31.9
87.04453	1.8
91.03960	1.1
91.05481	9.5
91.67571	0.9
93.07043	36.1
95.04967	2.1
95.08620	4.2
97.02892	18.9
97.10157	2.0
99.04482	1.7
103.03944	1.9
103.05472	1.5
105.07026	7.4
107.04972	1.6
107.08595	56.1
108.08929	1.4
109.02902	4.2
109.06510	1.2
109.10205	3.9
110.10490	1.1
115.03927	10.3
117.09555	0.9
119.08575	3.1
120.08868	1.1
121.02832	1.1
121.06516	1.5
121.10145	51.9
123.08075	1.9
123.11694	2.5
125.09641	2.0
127.03930	10.6
131.08577	1.2
132.06531	1.4
133.04968	12.8
133.10129	2.7
135.11734	1.5
137.09663	2.0
141.09114	1.0
143.08430	0.8
145.04964	12.4
145.10129	1.1
147.04378	1.7
147.08032	1.0
147.11719	1.7
149.13261	100.0
150.07632	3.0
151.07635	0.8
159.11775	0.9
163.06021	3.7
165.09138	3.2
167.14333	4.9
171.11664	0.9
173.13289	0.9
175.14836	1.1
181.04993	1.0
193.04985	1.0
196.13330	1.6
212.17264	1.4
215.20845	0.8
217.07278	0.9
223.06047	2.0
229.18111	1.0
230.18280	2.5
241.00061	0.9
241.07126	2.6
246.84125	0.9
259.08173	2.4
263.16602	0.9
267.16064	1.0
325.18546	0.8
368.22830	1.4
386.24042	1.4
404.24915	1.2
428.87692	1.0
442.26376	1.1
460.28073	3.9
478.28680	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	478.2935
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03934	0.8
55.05520	10.1
56.21326	0.2
57.03447	6.0
57.07082	1.5
65.03937	0.5
67.05514	21.7
67.10052	0.2
69.07077	13.5
70.10795	0.6
70.11194	0.6
71.05007	0.5
71.08622	0.6
79.05066	0.4
79.05503	5.6
81.03385	0.2
81.07067	22.5
83.04976	0.8
83.08147	0.4
83.08630	7.2
85.02927	0.3
85.06547	0.5
88.00347	0.3
91.05487	4.4
93.07056	5.9
95.04984	0.6
95.08618	16.2
97.06545	1.4
97.10187	3.2
98.06039	0.3
98.98473	0.4
99.08088	0.6
105.07043	2.9
107.08609	3.6
109.06473	0.5
109.10169	7.0
111.08089	0.7
111.11705	0.6
119.08607	3.4
121.10156	3.0
123.08069	0.6
123.11731	2.2
125.09657	0.5
131.08540	0.3
133.10132	2.7
135.11687	1.6
137.09627	0.4
137.13284	1.0
147.11681	1.1
149.13292	1.0
153.12799	0.3
161.13234	1.1
162.12308	0.3
163.14856	0.5
175.14882	0.7
177.16397	1.1
216.06372	0.8
245.22745	0.3
263.23776	0.6
306.27957	1.8
337.27399	100.0
338.27835	1.5
342.06036	0.3
342.53104	0.3
356.14847	0.3
429.86630	0.3
432.35980	0.4
442.34128	0.3
449.77679	0.3
457.89554	0.3
460.35263	0.4
474.46564	0.3
478.29132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2934
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03954	1.9
55.05517	10.3
56.96576	0.9
57.03447	3.7
57.07063	2.0
62.06096	34.6
67.05511	32.0
67.05872	1.3
69.07079	13.7
70.97285	1.9
74.33627	0.9
79.05497	9.5
81.07066	28.4
83.08633	6.4
85.05264	1.0
91.05492	4.9
93.07055	9.9
95.04958	1.2
95.08613	22.3
96.30352	0.8
97.06540	1.1
97.10184	3.8
98.06047	1.3
98.98467	8.0
105.07030	3.8
107.08598	5.9
109.10152	8.3
111.08064	1.1
111.11729	1.1
119.08568	4.4
121.10181	5.0
123.11720	4.2
124.01627	1.8
125.48190	1.1
128.29755	0.9
131.08603	1.5
133.10181	4.4
135.11710	2.9
137.13246	1.8
142.02635	2.3
147.11687	3.1
149.13242	1.4
150.31517	0.9
151.14862	1.1
155.01103	5.4
161.13271	2.7
163.14937	0.9
173.02122	1.5
175.14941	1.3
189.16374	1.5
191.14372	0.9
198.05301	2.0
216.06337	3.7
245.22664	1.6
263.23697	7.6
263.55627	1.0
306.27951	18.1
319.26657	1.2
337.27402	100.0
361.50516	0.9
380.35764	0.9
417.24213	1.4
425.34607	1.1
460.28131	5.7
478.28970	6.3
478.35715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
54.01836	0.6
55.01880	1.7
55.05513	5.4
56.05042	6.4
57.03441	2.6
57.07077	2.0
57.72364	0.6
58.06604	0.7
60.04530	90.0
61.02929	2.0
62.10373	0.5
65.97414	0.6
67.05510	10.8
68.05027	1.2
69.03440	8.1
69.07071	7.0
69.15319	3.2
69.15742	2.5
70.06609	1.2
71.05000	1.3
71.08630	1.4
72.04510	4.4
73.02924	2.4
74.06095	6.7
79.05493	7.1
80.05028	1.8
81.03429	5.0
81.07066	10.3
82.06588	1.4
83.04980	1.4
83.08633	4.9
84.04518	3.9
84.08123	0.6
85.02914	16.2
86.06073	2.7
87.04502	0.9
90.05568	2.1
91.03973	0.9
91.05482	5.3
93.07047	6.1
94.06576	1.1
95.04995	1.5
95.08619	9.4
96.08172	1.0
97.02908	7.1
97.06533	0.6
97.10182	2.3
98.06081	1.1
98.97624	2.2
99.04453	1.4
102.05546	5.7
104.07112	2.6
105.07046	2.3
107.08607	2.8
109.02885	2.1
109.10187	3.6
111.08107	1.2
112.07657	0.9
116.98695	1.1
119.08618	2.5
121.10191	2.3
122.09632	0.8
123.11696	1.4
125.09653	0.9
127.03916	2.9
131.08578	0.6
133.10172	1.9
135.11714	0.7
145.04968	1.0
147.11662	0.6
153.12886	0.7
164.33842	0.6
188.09236	1.6
193.12318	0.9
204.08727	1.1
206.10286	3.1
219.01785	0.7
224.11328	5.0
224.37451	0.7
250.25406	1.5
262.25400	2.6
263.23721	1.0
267.09128	1.5
267.47208	0.6
268.26443	1.1
279.03549	0.7
280.26346	11.5
285.10110	1.6
298.27426	12.5
306.23920	0.7
316.28485	100.0
318.31052	0.5
322.27185	0.7
340.28564	1.7
358.29666	4.8
377.03815	2.9
404.25415	0.6
442.31567	1.9
457.71759	1.1
460.27435	1.4
460.32834	5.2
478.33844	65.1
479.30258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35920	0.6
53.03905	1.3
55.01827	1.5
55.05459	4.9
56.04982	5.2
57.03375	2.4
57.07045	1.0
60.04469	79.1
60.04944	2.7
60.68730	0.6
61.02864	2.2
61.85223	0.7
67.05501	9.6
68.04974	0.7
69.03432	8.1
69.07076	4.7
69.89071	2.6
69.89482	1.1
70.06556	1.4
71.04938	0.9
71.08576	1.1
72.04523	4.5
73.02878	1.6
74.06084	5.1
74.69813	0.6
79.05493	6.2
80.04957	1.3
81.03414	4.0
81.07058	11.3
82.06519	1.2
83.04914	2.4
83.08603	3.8
84.04517	3.6
85.02910	12.4
86.06070	3.8
87.04418	1.3
90.05499	1.0
91.03883	1.4
91.05465	3.3
93.07049	6.6
94.06517	1.4
94.07330	0.9
95.04906	2.1
95.08613	7.8
96.08107	1.2
97.02915	5.6
97.06480	1.2
97.10099	2.4
98.05985	0.9
99.01315	0.6
99.04430	1.1
102.05547	6.0
104.07098	3.2
105.06998	2.0
106.05914	0.7
107.08612	3.4
109.02847	1.4
109.10101	2.8
112.07555	1.3
119.08500	2.3
121.10073	2.4
123.08010	1.0
123.11658	1.5
127.03860	1.8
133.10054	1.5
135.11649	2.5
145.04929	1.1
145.10106	0.8
147.11652	0.8
173.30121	0.6
188.09157	1.2
204.08598	1.3
206.10291	3.3
213.34146	0.7
224.11333	4.6
227.12810	0.8
250.25276	1.2
262.25327	2.2
271.82834	0.8
280.26376	9.5
298.27368	13.1
316.28470	100.0
317.28842	0.9
340.28488	1.3
358.29443	4.7
424.30762	1.2
442.31763	2.1
460.32758	5.0
464.53040	0.9
478.33893	61.7
479.34589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38826	2.2
55.05504	4.5
56.96561	3.1
57.03416	2.4
61.02916	3.2
63.36683	1.8
67.05493	8.3
69.07063	5.8
70.70950	5.8
71.08633	2.1
73.06519	1.9
79.05477	3.5
81.07061	21.5
83.08603	3.5
85.02885	3.4
85.06516	3.6
91.03991	2.1
91.05470	4.3
93.07029	6.5
95.08051	3.1
95.08613	35.5
97.02879	2.4
97.06499	2.9
97.10170	3.1
98.97579	2.5
105.07004	8.3
107.08603	15.1
109.06535	2.7
109.10162	17.6
111.11760	2.1
119.08582	11.0
121.10151	16.1
123.08049	3.3
123.11731	12.1
133.10124	9.3
135.11711	10.8
137.13283	3.8
145.10080	7.0
147.11731	2.7
149.13246	5.9
151.14801	7.3
154.11440	2.3
157.10153	3.4
159.11681	9.0
161.13245	5.7
165.58575	2.1
168.90158	1.9
173.13280	3.4
175.14828	4.2
177.16460	13.1
189.16440	5.0
191.17957	6.7
195.17525	12.7
197.13190	1.9
201.16383	5.5
208.29178	2.2
219.17464	4.7
237.18510	3.9
241.19432	3.8
247.17003	7.5
285.22220	2.1
295.12000	3.3
313.13031	3.6
314.13452	2.8
318.51639	2.1
338.48059	2.3
349.66028	4.7
407.33258	5.0
425.34070	17.8
443.35260	100.0
461.36371	3.7
479.22971	2.1
479.31021	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	478.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51951	6.7
55.05511	17.7
67.05497	35.7
69.07072	49.2
71.04969	15.5
71.54691	6.8
79.05491	16.8
81.07059	100.0
83.08606	13.8
91.05522	18.2
93.07051	35.9
95.08614	65.9
97.10150	9.3
99.08055	8.0
105.07021	40.7
107.08608	42.3
109.10143	72.4
115.47628	7.6
119.08578	32.8
121.10146	33.9
123.11697	15.3
125.09591	10.2
127.11197	12.9
131.08499	17.1
133.10120	28.8
135.11696	29.4
143.10661	13.1
145.10109	18.8
147.11691	34.4
149.13266	17.3
151.49846	8.3
159.11699	32.9
161.13235	22.3
163.14832	8.1
171.00252	7.5
171.80235	7.0
175.14740	7.6
187.14786	11.2
187.93733	7.9
189.16386	14.9
203.17912	17.8
215.18044	17.1
217.19530	17.0
279.42664	8.0
325.51767	8.5
335.56900	8.1
425.33670	18.4
478.33530	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	479.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
57.03434	0.4
60.20114	0.2
61.02917	0.3
67.05492	0.2
69.03431	1.8
71.05009	0.4
73.02940	0.4
75.57957	0.2
81.03403	0.8
85.02911	4.0
87.04440	0.5
91.03925	0.3
93.07054	0.3
97.02895	2.6
99.04478	0.3
109.02894	0.6
127.03894	1.4
137.05954	0.5
145.02855	0.6
145.04944	0.9
151.03986	0.2
161.06015	0.3
162.05530	0.3
164.88681	0.2
167.14406	0.2
173.02368	1.9
201.01851	3.8
218.02103	0.8
229.01286	2.0
230.42865	0.2
246.01636	1.2
257.00821	22.8
258.01144	0.3
271.02402	0.4
274.01080	1.0
285.00305	33.8
286.00986	1.4
302.00555	5.5
317.02924	100.0
318.03293	1.3
386.63104	0.2
479.08395	0.5
479.21378	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03940	0.6
55.01870	0.5
55.05501	0.3
57.03428	0.9
58.43386	0.2
59.04992	0.3
60.80284	0.3
61.02921	2.3
67.05495	0.4
69.03432	3.7
69.07083	1.2
70.07400	0.3
70.59202	0.2
70.59528	0.7
71.04986	1.6
73.02903	0.7
78.16421	0.2
79.05492	0.5
81.03422	1.6
81.07056	0.8
83.04989	0.8
84.08132	0.4
85.02906	11.2
85.06532	0.3
86.09710	7.2
87.04478	0.4
87.10032	1.5
91.03947	0.8
91.05489	0.5
92.02621	1.0
93.03389	0.9
93.07040	0.7
95.08626	0.5
97.02889	3.7
97.06538	0.3
98.84598	0.3
99.04449	0.6
105.07070	0.4
107.08586	0.9
109.02888	1.3
109.06495	0.3
109.10094	0.3
111.04445	0.4
115.05427	0.3
117.07063	0.4
119.04950	0.5
119.08573	0.5
121.02872	1.5
121.10127	0.5
123.04403	0.4
127.03925	2.0
129.05498	0.6
131.04967	0.4
132.08182	0.2
135.11697	1.0
137.02303	0.5
137.05975	0.6
137.55769	0.2
139.03929	0.7
145.04936	1.5
145.06485	0.6
146.06818	0.5
147.04419	1.8
148.71861	0.2
151.03896	1.4
151.07574	0.3
153.00571	0.4
153.01823	6.5
153.02992	0.4
153.12750	3.9
154.15802	0.3
155.16229	0.3
160.07570	3.1
161.05916	0.4
161.07932	1.9
162.08199	0.3
163.03871	0.2
165.01817	0.6
167.07008	0.3
172.04871	0.2
177.05450	0.4
177.10262	0.4
178.10565	0.3
183.04692	0.3
189.05461	0.9
190.01312	0.3
190.05830	0.8
199.18060	0.3
201.05487	0.8
203.03467	0.3
206.08093	2.4
207.08466	1.9
208.08658	0.7
217.04984	0.6
218.05743	0.6
223.10838	1.4
224.11118	1.9
225.11389	0.4
227.17546	0.4
228.04192	1.3
229.04962	2.8
231.02896	0.6
245.04539	0.8
246.05215	1.8
257.04471	2.2
260.03159	0.4
271.05804	0.4
273.03940	1.7
274.04694	4.6
284.03168	0.4
285.03979	4.1
292.17252	0.5
301.03354	0.3
302.00751	0.5
302.04208	11.8
317.06558	100.0
318.06906	0.9
319.16583	0.5
320.16714	1.3
321.17090	0.9
336.19189	0.8
337.19452	1.6
338.19839	1.0
365.18970	0.7
366.19165	0.4
392.37982	0.3
432.26733	0.3
433.25375	0.4
434.25424	0.5
450.28110	0.6
451.28183	1.2
461.25476	0.3
462.24686	0.5
478.27350	0.8
479.20419	0.7
479.27652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
57.03424	0.7
61.02933	6.9
62.85860	0.2
67.05491	0.4
69.03432	1.3
69.07053	0.3
71.04984	0.8
71.53256	0.4
73.02930	1.6
79.05472	0.3
81.03427	0.8
81.07062	0.7
83.04962	0.4
85.02427	0.5
85.02915	6.6
85.06534	0.3
91.03963	3.2
91.05466	0.4
92.02633	0.7
93.03409	1.1
93.07041	0.5
95.04963	0.6
97.02897	2.9
99.04425	0.5
105.07040	0.4
107.08567	0.3
109.10167	0.4
110.78015	0.3
111.04385	0.3
119.08580	0.4
121.02863	1.1
123.08067	0.3
126.03138	0.3
127.03920	1.1
131.08554	0.3
133.10201	0.3
135.11726	0.3
137.02377	0.4
137.06001	0.7
137.09576	0.3
139.03906	0.9
145.04933	0.4
147.04391	1.1
147.11658	0.3
151.03900	1.1
151.07590	0.5
153.01837	5.9
153.12738	0.7
154.27090	0.2
154.64577	0.3
161.06075	0.3
165.01817	0.5
175.07587	0.4
200.04803	0.3
201.05423	0.7
203.03246	0.4
209.52592	0.3
216.66826	0.2
217.04961	0.6
218.05807	0.4
228.04150	1.2
229.04967	2.9
231.02919	0.5
235.45229	0.3
245.04468	1.0
246.05150	1.4
256.03625	0.5
257.04483	2.2
260.03088	0.3
271.06030	0.3
273.03882	1.5
274.04770	3.9
280.61859	0.3
284.03204	0.4
285.03958	4.1
297.11157	0.3
301.03470	1.6
302.04230	16.8
317.06583	100.0
318.06909	1.0
339.05344	0.3
341.06979	0.3
346.42593	0.3
372.08865	0.6
384.08746	0.3
387.11169	0.8
390.09659	0.3
399.11053	0.3
449.05765	1.3
479.06714	1.7
479.18115	0.3
497.08047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85749	4.7
53.03945	11.1
55.01865	7.0
55.05503	26.6
57.03442	10.1
67.05517	29.9
69.03434	16.8
69.07065	15.0
70.03836	7.2
70.04230	14.9
73.70299	5.1
76.58135	4.6
79.05492	38.1
81.03415	16.9
81.07058	50.9
83.04987	19.0
83.08607	8.3
85.02907	12.6
91.05457	33.2
92.05795	6.0
93.07051	41.1
94.07370	6.1
95.04433	5.0
95.04983	19.8
95.08600	26.3
97.02923	9.6
97.06534	13.0
97.10153	8.7
99.04455	6.1
100.11259	11.6
103.05476	9.0
104.06270	6.7
105.07027	53.4
106.07344	6.6
107.04969	14.4
107.08610	22.2
109.02870	9.6
109.06534	8.0
109.10138	12.7
111.04440	8.4
115.05472	8.1
117.07027	10.7
119.04974	5.6
119.08585	20.8
121.02872	6.2
121.06505	10.5
121.10173	14.4
123.04430	8.7
123.08102	5.8
123.11755	6.2
125.02332	6.6
125.06036	5.6
125.09651	7.1
127.03913	6.9
129.06969	8.3
131.04866	8.2
131.08563	13.1
132.05724	7.5
133.06490	28.6
133.10138	17.5
133.73215	4.8
135.08076	8.8
135.11656	8.0
137.05995	14.3
137.09523	6.1
139.03894	8.7
143.08598	4.9
145.06506	6.7
145.10123	7.6
147.04405	18.7
147.11710	13.6
149.06032	9.5
149.09610	7.1
151.03821	6.5
151.07564	17.4
151.11218	4.9
153.01854	19.1
153.05521	4.8
155.08577	7.2
159.08253	6.1
159.11794	5.2
161.05995	32.3
161.09654	10.3
163.03896	10.3
163.07565	9.5
165.01819	6.0
165.09076	26.2
167.08630	10.7
171.11766	5.8
173.13266	5.8
177.01921	8.4
177.05470	10.1
177.09100	6.1
179.07109	11.2
179.08525	6.7
181.01349	30.6
182.15486	13.5
183.02939	7.7
183.08018	9.9
187.07513	6.8
188.04636	6.6
189.01776	7.5
189.05490	10.8
191.03474	12.4
191.07120	8.2
193.01324	17.1
193.08502	9.9
193.12227	6.5
195.08089	18.6
197.05977	6.3
205.04865	7.0
205.06557	15.4
207.06413	6.4
209.00807	24.1
210.14932	9.8
211.02412	10.4
211.07501	12.3
221.05974	14.9
221.07997	7.5
223.02403	13.6
223.07610	18.0
225.03761	7.6
225.09062	5.9
229.05043	5.9
233.06032	7.6
235.02423	17.2
235.07542	8.2
239.07069	20.0
241.08580	9.3
243.06436	5.6
249.00270	14.0
249.05518	21.6
251.07048	33.5
255.02934	6.8
257.04407	37.3
263.01862	16.5
267.06570	39.8
268.07782	6.6
269.08041	34.9
271.02386	6.2
271.05942	5.3
277.05014	9.2
279.06506	23.4
283.02374	17.3
283.05972	5.3
291.01273	12.6
295.05991	86.4
297.07492	51.2
299.09048	8.9
301.03305	6.3
305.04547	15.8
307.05975	24.5
308.02957	7.1
313.03915	5.6
313.07120	27.7
313.10541	9.4
323.05533	98.2
325.07007	51.8
327.08578	12.9
329.10745	5.9
341.06558	100.0
343.08087	6.9
351.05002	92.6
352.04868	6.0
353.06232	6.6
355.08212	35.3
357.09616	12.5
359.07748	10.5
369.06064	71.3
369.23886	6.7
373.09164	9.9
379.04388	10.4
383.07648	39.6
386.24045	8.0
387.07108	11.9
387.24805	12.4
397.05569	21.9
401.08911	24.2
411.07175	10.0
415.06137	6.5
436.31708	19.2
461.15570	11.2
461.28683	8.4
479.16562	20.1
479.26584	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	479.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39893	2.7
50.48813	3.0
51.31252	2.9
53.03945	6.3
55.01867	7.2
55.05511	27.5
56.00211	3.0
56.96562	25.4
57.03442	23.6
60.04528	55.0
61.02927	31.4
61.04849	3.2
62.14023	3.0
67.05510	55.0
68.05853	3.9
69.03439	16.6
69.07067	33.0
70.02831	3.4
70.69176	7.1
71.04992	8.5
71.95260	3.3
73.02913	14.6
79.05496	50.6
81.03416	47.0
81.07061	65.4
83.04985	11.3
83.08630	25.1
85.02906	39.3
85.03369	3.7
91.03969	19.6
91.05483	44.7
93.07050	45.0
95.04987	22.6
95.08607	26.7
97.02894	28.7
97.06545	8.4
97.10171	6.8
98.97582	11.8
99.04465	5.7
101.02379	6.5
105.07038	22.8
107.04948	12.0
107.08592	26.9
109.02865	6.5
109.06504	5.0
109.10165	8.6
110.97595	5.0
111.08086	7.3
116.55231	3.2
117.07037	9.3
119.08614	22.9
121.06503	4.1
121.10132	16.6
123.08069	4.3
123.11758	3.9
125.09590	5.5
127.03929	11.7
128.12376	2.9
128.98651	4.1
129.07016	9.4
131.08554	14.1
133.06512	3.6
133.10072	17.3
135.11687	8.5
137.09627	5.7
141.02260	3.3
145.06519	3.6
145.10118	6.0
147.11716	14.5
149.09587	5.7
149.13287	12.4
153.02252	4.0
157.01822	3.5
157.10167	8.4
158.99619	6.0
159.11694	9.9
163.11128	3.9
170.99731	3.8
171.03258	2.9
175.11174	11.6
177.12814	4.1
185.04887	9.4
193.12247	29.3
195.13866	6.7
199.06433	8.8
203.05890	4.7
211.13304	56.9
213.08032	4.1
224.11345	3.4
225.08076	5.1
231.09045	3.5
237.08037	3.4
243.08926	9.5
249.07979	9.7
255.09009	15.0
267.09039	81.0
267.15912	7.5
269.10492	16.7
269.17468	10.7
273.10104	6.0
280.09882	3.0
281.26752	3.1
284.12784	11.9
285.10114	100.0
285.16739	13.9
286.10510	4.3
299.27875	5.1
308.11783	11.8
309.11072	5.7
316.11908	11.3
316.28525	26.5
317.28772	51.5
321.05026	4.0
324.11478	52.3
331.15729	10.2
349.16888	33.6
356.15173	4.3
361.76154	3.7
365.15631	22.7
367.17947	28.3
368.18268	3.7
369.23718	4.9
387.25314	7.6
430.18521	7.6
438.18427	5.8
461.29010	10.3
479.29684	41.9
479.34641	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
52.72511	0.9
53.03943	4.8
55.01867	3.6
55.05266	1.4
55.05515	23.7
56.96587	1.5
57.03437	11.5
57.07061	2.2
59.04977	1.0
61.02914	0.9
65.03935	3.9
67.05508	68.0
68.79775	0.9
69.03428	2.7
69.06726	1.6
69.07071	21.5
70.45522	1.0
70.47070	2.3
71.04995	6.1
73.02897	1.2
77.03911	1.0
79.05497	49.5
81.03423	41.1
81.07060	83.6
83.04979	13.7
83.08141	1.7
83.08623	25.8
85.02911	20.3
85.06520	5.7
91.04908	1.5
91.05485	41.4
93.07048	56.7
95.04368	1.4
95.04972	27.1
95.08608	22.3
97.02905	2.1
97.06531	9.3
97.10179	4.2
99.08083	2.8
105.04538	2.1
105.07032	25.0
107.04980	5.9
107.07868	1.7
107.08599	28.0
109.06513	5.9
109.10172	5.3
111.04454	2.2
111.08084	13.3
113.06001	2.5
115.05454	1.9
117.07036	7.5
119.08585	18.7
121.06522	2.7
121.10149	20.2
123.08082	2.8
123.11726	5.0
125.09631	2.5
127.07603	1.2
128.06265	1.2
129.07014	11.2
131.08580	16.6
133.06482	1.8
133.10143	13.6
135.08083	3.0
135.11711	6.5
137.09566	2.3
139.11179	2.3
142.07805	3.2
143.08574	1.2
145.10158	2.0
147.08090	1.8
147.11682	11.3
148.99258	1.0
149.09645	6.2
149.13261	24.2
151.11104	1.3
157.10147	10.6
159.11713	10.8
163.11143	1.1
165.09137	1.4
165.12788	2.1
173.13330	1.4
175.11197	11.1
177.12775	5.5
189.11305	1.4
193.10414	1.4
193.12248	46.6
195.13829	10.0
211.13301	51.1
213.14983	1.3
221.65884	0.9
249.14880	1.7
251.16499	1.2
267.09061	2.9
267.15897	10.8
269.17511	11.3
285.10086	3.0
308.53662	1.0
324.11594	2.0
343.22977	1.7
349.16940	1.2
351.23431	1.5
361.23758	1.5
369.24188	4.0
387.25159	4.7
405.26572	1.4
417.25906	2.0
429.69864	1.0
435.27777	1.4
443.28131	1.3
461.28973	21.7
479.30069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01867	4.8
55.05513	26.3
56.96561	5.9
57.03430	13.6
60.04530	2.8
60.82933	1.4
61.02924	4.8
63.14130	1.5
65.03937	2.8
67.05505	64.3
68.05814	2.9
69.03429	7.0
69.07070	19.5
71.05009	8.9
73.02927	2.9
79.05498	52.4
80.05820	2.0
81.03419	36.4
81.06580	3.6
81.07059	74.6
82.07382	3.3
83.04986	14.1
83.08615	24.8
85.02904	25.3
85.06543	4.5
87.04462	2.2
90.77450	1.6
91.03983	2.9
91.05480	48.7
93.07045	53.6
93.07636	2.8
95.04962	19.7
95.08610	22.4
97.02891	6.6
97.06519	9.5
97.10190	5.0
98.20721	3.0
99.04451	2.5
99.08080	2.3
105.07028	26.7
107.04967	7.0
107.08601	34.0
109.06522	6.6
109.10173	6.0
111.04458	2.4
111.08073	10.9
115.02704	1.6
115.05455	1.6
115.95567	1.6
117.07024	8.2
117.27486	1.3
119.08588	18.4
121.06503	4.7
121.10134	19.6
123.08074	4.0
123.11690	4.6
125.09616	2.9
129.07010	10.5
131.08586	14.4
133.06517	3.6
133.10120	21.4
135.08081	2.4
135.11716	8.4
142.07779	2.6
143.08571	2.3
145.10133	5.4
147.08099	1.8
147.11685	14.6
149.09653	5.3
149.13274	18.1
157.10132	9.7
159.11711	9.7
163.11185	2.9
168.12578	1.4
175.11125	8.9
177.12715	3.6
183.11661	2.0
185.13264	2.2
193.12254	31.4
195.13770	9.0
211.13297	38.5
211.15257	2.2
229.40434	2.0
255.09021	1.5
267.09024	3.4
267.15924	10.6
269.17670	7.3
285.10120	3.7
285.16977	1.7
316.11609	1.8
316.28293	2.5
317.28799	4.3
323.10751	3.5
351.22925	2.1
369.24268	4.3
387.25110	2.8
443.27521	2.3
461.28674	14.4
479.30011	100.0
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
50.32609	1.0
53.03953	2.5
55.01876	14.2
55.05506	1.5
55.42663	1.1
57.03440	22.6
57.07069	2.5
58.09444	1.0
59.05001	3.8
61.02930	7.3
62.91671	1.1
63.55716	1.0
63.77252	1.0
66.70065	1.0
67.05492	6.1
69.03433	30.8
69.07072	64.4
69.47796	6.4
71.01373	5.1
71.04996	3.0
73.02924	31.7
79.05507	1.9
81.03419	4.9
81.07063	24.7
82.67496	1.0
83.04971	1.7
83.08604	1.2
85.02906	61.7
87.04479	4.2
91.03922	2.0
91.05454	1.1
93.07066	1.2
95.04997	2.4
95.08615	5.1
97.02898	48.5
97.03528	2.5
98.20763	2.3
99.04449	3.0
103.03954	4.2
105.07035	1.8
107.08611	3.2
108.11780	1.0
109.02889	5.1
109.06493	2.9
109.10162	11.2
115.03938	23.9
121.10162	1.8
123.04488	1.4
123.11712	100.0
127.03920	20.1
128.75772	1.1
129.48666	1.1
133.04008	2.4
133.04971	33.4
137.05917	1.7
144.06590	1.7
145.04955	26.1
147.04407	1.1
150.07663	1.1
151.03947	1.2
151.11189	68.3
161.13261	1.5
163.06032	7.0
169.12230	10.2
173.15382	1.0
193.05045	1.4
199.06120	1.3
218.22420	1.1
222.56575	1.0
223.06039	3.6
241.07085	3.6
259.08102	4.3
277.09381	1.2
283.15399	13.8
313.16379	6.5
359.14890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96146	0.6
57.03425	0.5
60.86759	0.4
66.22014	0.5
69.03423	1.5
69.07052	0.5
69.75685	2.9
70.06603	8.5
70.90752	0.5
81.03420	1.1
85.02894	2.0
90.68493	0.5
91.05482	0.9
97.02870	1.1
98.20924	0.9
98.97583	1.6
105.07049	0.8
107.04943	0.6
109.02779	0.5
109.06554	0.5
110.06143	0.5
114.64505	0.5
122.06010	0.6
123.04410	0.8
127.00069	0.6
127.03922	0.8
130.06534	1.7
133.06519	0.9
133.10126	0.6
136.07616	0.9
137.06015	3.4
137.06894	0.6
139.03931	0.7
140.07030	0.8
145.04953	0.8
149.05984	2.2
151.03925	3.0
153.01830	1.3
157.07617	3.3
158.06049	0.8
158.40010	0.6
161.05989	1.4
162.05450	0.5
167.07001	0.8
167.97853	0.6
175.08665	1.3
176.03265	0.5
177.05505	4.4
177.08986	0.6
184.04965	0.6
185.04231	0.8
185.07114	1.0
208.09689	0.7
215.06810	1.2
217.04739	1.9
227.05266	1.8
229.09911	0.6
232.07076	14.2
233.07872	5.8
265.11981	0.7
271.04166	2.6
271.10077	0.5
272.13940	1.2
273.11880	0.5
285.11179	0.6
289.11917	1.0
300.13553	1.5
301.11151	1.0
319.04532	5.0
319.13022	1.1
319.16556	0.9
354.47388	0.6
360.88467	0.7
366.14371	3.0
395.13248	3.3
419.13376	0.7
427.14948	1.0
437.14246	26.1
445.15857	1.1
449.10571	0.8
463.17197	2.1
481.13138	100.0
481.20972	3.4
482.13486	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	481.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05516	0.7
56.41112	0.4
56.96526	0.5
57.03425	0.6
61.02905	1.3
65.03922	0.5
67.05492	1.3
69.03410	1.2
69.73614	2.4
71.23608	0.4
72.01376	0.4
73.02900	0.6
79.05483	1.8
81.03422	0.9
81.07050	1.6
83.04969	0.5
85.02913	2.7
91.03994	0.7
91.05483	2.5
93.07033	1.0
94.04195	3.6
95.04995	0.6
95.08604	1.8
97.02891	1.4
98.97593	0.9
99.60620	0.4
103.05493	0.7
105.07045	1.6
107.04951	1.2
109.06532	0.8
109.10283	0.4
111.04442	0.5
115.03954	0.6
115.05450	0.6
119.04948	1.1
121.02874	0.8
121.06528	0.6
121.10142	0.7
122.03644	8.4
123.04403	1.0
125.06104	0.4
127.03934	1.0
131.04968	0.7
135.04384	1.0
137.05983	100.0
138.06329	0.6
139.03981	1.0
147.04413	1.5
149.06003	1.2
151.03893	0.9
151.07547	1.5
151.11162	0.5
152.07132	0.6
153.01837	2.9
153.07127	0.6
161.05984	3.4
163.03929	1.2
163.07541	2.1
164.07117	0.5
164.10730	1.0
165.01898	0.9
165.05661	0.7
165.07040	2.3
166.07767	1.1
167.07063	4.6
167.08430	0.8
174.06786	0.6
177.05547	0.8
177.06993	0.7
178.07799	0.7
179.07121	0.9
179.08557	1.1
181.06523	0.6
182.07259	0.9
191.07025	0.8
191.08636	0.6
192.10196	2.0
193.06514	1.7
194.07285	5.1
195.08066	0.5
196.05092	0.5
196.08864	0.5
201.05415	0.5
205.06502	1.8
206.07372	0.7
207.04460	0.6
207.08075	0.6
209.09676	1.0
210.06873	0.8
211.07559	2.2
217.04904	0.8
221.06036	3.4
222.06757	3.9
224.08340	0.7
225.09027	2.2
234.06622	1.0
235.07608	0.9
237.09077	3.6
239.07085	1.5
241.04855	0.5
247.09888	0.5
248.10628	0.7
249.08897	0.6
249.11252	0.7
250.06224	0.8
251.07074	1.1
252.07736	0.7
253.08611	1.9
254.09267	0.6
260.10858	0.5
265.08585	11.0
267.10190	1.9
270.08923	1.1
271.09708	2.5
273.04034	1.0
277.08716	1.0
278.13739	0.6
282.08835	1.3
283.09729	0.8
285.11191	6.9
287.13892	1.2
297.11212	13.9
300.94330	0.5
304.11688	0.8
309.11218	2.2
315.12280	17.3
319.04504	18.6
319.13022	0.8
319.16562	2.4
321.07495	0.6
327.12534	0.9
401.13165	0.9
419.14429	0.6
421.16238	0.6
433.16483	0.8
445.15869	0.7
447.13925	1.4
451.17499	0.7
463.11176	0.5
463.17197	2.4
464.16409	9.6
481.11646	1.4
481.17770	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	481.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01857	0.5
57.03439	0.8
61.02928	0.7
61.49323	0.3
65.03935	0.6
66.04716	0.6
67.05510	0.8
68.99786	0.4
69.03429	1.4
70.17272	0.6
70.17693	1.1
71.04993	0.4
73.02935	0.5
77.48006	0.3
79.05491	1.6
81.03416	1.0
81.07054	1.1
85.02905	1.6
87.04490	0.4
87.05606	0.4
91.05490	1.5
93.07048	0.7
94.04182	3.8
95.04950	0.8
95.08596	1.2
97.02885	0.9
97.06507	0.4
98.97604	0.8
103.05476	0.9
105.07018	1.1
107.04958	1.5
107.08619	0.5
109.06535	0.6
115.05443	0.6
119.04948	1.1
121.02832	0.7
121.06528	0.8
122.03654	8.1
123.04406	0.6
124.07600	0.4
127.03925	0.8
128.76973	0.3
131.04913	0.7
135.04410	1.0
136.11269	0.4
137.05988	100.0
139.03888	0.9
145.06476	0.6
147.04442	1.6
149.05994	1.2
150.06834	0.6
151.03952	0.6
151.07570	0.9
153.01877	1.8
153.07007	0.5
161.05965	3.5
162.05368	0.4
163.03885	0.4
163.07556	1.6
164.10750	1.1
165.06989	2.6
166.07848	1.4
167.07089	2.6
167.08357	0.5
168.05756	0.4
174.06876	0.5
175.07562	0.9
177.05513	1.1
177.07024	0.5
178.07718	0.5
179.07057	1.2
179.08492	0.9
181.06505	0.9
182.07298	0.6
183.08090	1.1
192.10205	1.3
193.06516	1.6
194.07301	3.9
195.08081	0.6
197.06044	0.5
203.03496	0.8
205.06575	1.3
206.07420	0.4
207.04538	0.4
207.08087	0.8
209.09735	1.4
210.06721	1.1
211.07573	1.9
217.04834	0.6
219.08099	0.5
221.06061	3.5
222.06827	3.3
223.07523	0.6
224.08302	0.6
225.09052	2.0
233.05992	0.7
234.06819	0.5
237.09119	3.3
239.07005	0.8
245.04492	0.7
248.10504	0.8
249.11192	0.8
250.06396	0.9
251.07144	0.8
252.07823	0.6
253.08607	2.4
254.09375	0.6
256.07162	0.6
261.11026	0.7
265.08594	10.5
267.10114	2.3
269.08243	0.4
271.09677	2.0
273.03876	0.8
273.11377	0.5
277.08572	0.8
278.13803	0.8
279.10236	0.5
282.08865	1.4
283.09708	1.0
285.11243	6.3
287.14111	0.9
289.10904	0.5
297.11249	12.5
301.12134	0.4
304.11649	0.5
309.11459	1.7
315.12271	16.5
319.04510	12.2
319.13043	0.7
319.16577	2.4
320.04831	0.5
321.07651	0.8
327.12390	0.8
328.15140	0.4
339.12329	1.0
347.09061	0.4
349.07236	0.4
351.72406	0.4
361.06741	0.4
401.13574	0.5
403.07864	0.5
430.10959	0.4
433.16599	1.0
445.16199	0.5
447.13901	1.5
451.17691	0.5
463.16946	2.2
464.16492	10.8
481.12088	2.8
481.18176	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	481.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01869	12.0
55.05512	20.7
57.03444	11.4
59.04977	2.1
63.67598	1.5
65.03937	2.9
67.05508	79.7
69.03426	6.6
69.07069	19.1
70.91731	2.2
71.04991	11.8
79.05068	2.5
79.05496	39.2
81.03420	56.6
81.07059	65.2
82.73286	1.5
83.04984	18.9
83.08624	18.5
85.02905	27.2
85.06552	10.2
91.05485	64.5
93.07052	33.3
94.55074	1.4
95.04971	26.6
95.08624	17.9
97.02892	3.7
97.06516	8.4
97.10175	4.4
99.04465	4.4
99.08095	2.3
105.07036	63.9
107.04954	6.8
107.08595	49.7
109.02853	1.6
109.06514	9.7
109.10156	82.6
111.04429	3.4
111.08088	9.0
113.06004	6.6
113.45112	1.6
115.05415	2.6
115.07574	1.8
117.07014	4.3
119.04955	2.1
119.08585	20.5
121.10133	11.3
123.04417	1.7
123.08079	5.0
123.11700	14.9
125.09596	2.2
127.07541	3.8
129.07014	8.8
131.08562	13.3
133.06490	3.1
133.10135	89.6
135.08035	1.7
135.11696	3.8
137.05968	8.7
137.09569	2.2
137.31523	1.5
142.07745	1.9
145.10118	3.7
147.08054	3.2
147.11667	10.7
149.09683	4.3
151.11186	48.5
151.12372	3.0
157.10167	10.4
157.12166	1.8
161.09679	2.8
161.13194	2.0
163.11157	1.7
165.12759	2.0
169.12247	12.0
175.11188	12.0
179.10663	3.3
193.12236	36.4
193.13876	2.7
197.11745	2.1
211.13297	54.6
215.12689	7.4
253.14365	100.0
254.14999	1.5
267.15961	10.4
271.15369	8.9
285.16888	2.6
445.26089	5.0
463.27036	19.4
481.28027	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	482.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.5
53.31600	0.3
55.01886	1.4
55.05519	0.6
57.03453	1.3
61.02937	0.9
62.06091	0.3
65.03945	0.3
67.05511	1.3
69.03443	2.4
69.07085	0.3
70.06583	0.4
70.09380	0.5
71.05005	0.6
71.28695	0.3
73.02930	1.9
75.04491	0.4
77.03951	0.4
79.05498	5.1
81.03455	0.8
81.07061	2.1
82.24728	0.3
85.02908	4.1
87.04463	1.2
89.03895	0.4
90.78181	0.3
91.05486	5.3
93.03419	0.8
93.07050	6.9
94.04204	0.4
95.04983	1.4
95.08627	1.8
97.02906	2.1
97.06544	1.9
103.05472	4.7
105.04603	0.5
105.07034	15.7
106.04185	1.1
107.04947	3.5
107.08591	5.4
108.05737	1.4
109.02894	0.5
109.06543	1.0
115.03927	2.1
115.05447	0.5
117.07017	0.7
118.04146	4.8
119.04952	3.0
119.08589	0.4
120.05756	0.6
121.06527	2.7
122.07307	1.3
123.04409	0.7
123.08076	1.8
124.05226	1.3
125.05978	0.5
127.03906	0.8
131.04941	1.5
133.05026	2.1
133.06496	16.8
134.07295	0.9
135.04411	1.7
135.08075	2.7
135.11714	5.4
136.05202	0.4
137.05991	4.9
137.13271	0.8
145.02850	0.4
145.05011	0.9
146.03632	0.9
147.04413	1.3
148.05246	1.3
149.05983	4.9
150.06769	9.9
150.07895	0.7
151.07564	3.4
153.09119	0.7
153.12726	2.3
159.04462	0.5
161.06017	2.3
163.03960	1.5
163.06024	0.5
163.07571	1.0
165.09119	11.6
167.07040	10.7
175.07639	0.4
177.05484	4.7
178.06250	1.0
179.05585	0.5
179.07047	2.1
179.10677	0.6
180.07877	0.4
181.08569	1.6
191.07047	0.6
192.07860	0.6
193.08614	48.5
194.08873	0.5
195.06558	0.7
197.11726	1.0
206.04591	0.5
209.08105	12.0
210.08900	0.5
211.09657	100.0
212.10019	1.0
245.43671	0.4
256.45490	0.3
259.08142	0.5
280.10577	0.4
295.10159	0.6
325.80807	0.3
371.14661	0.7
391.17587	0.4
403.17453	1.4
470.36823	0.4
482.24121	0.3
508.97943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09800	0.3
53.03937	0.9
55.01862	1.1
55.05510	0.6
56.59897	0.3
57.03450	1.8
58.72381	0.3
59.05007	0.3
61.02946	0.3
62.06068	0.4
65.03935	0.5
67.05502	1.0
69.03432	2.6
69.07067	1.1
70.06596	0.5
71.04987	1.1
71.95279	0.3
73.02916	3.1
75.04482	0.4
79.05119	0.4
79.05499	4.2
81.03416	0.9
81.07054	2.5
85.02902	4.4
87.04488	0.5
91.05485	5.8
93.03416	0.7
93.07048	4.1
95.04964	1.4
95.08604	1.0
97.02894	2.8
97.06522	1.6
98.21455	0.8
103.05465	4.0
104.06247	0.5
105.03407	0.4
105.04543	0.4
105.07034	15.9
106.04162	1.2
107.04959	3.4
107.08594	2.5
108.05734	0.9
109.02892	0.9
109.06509	1.3
112.07622	0.4
115.03926	1.8
115.05447	0.7
117.07037	0.4
118.04176	4.1
118.66235	0.4
119.04958	2.1
119.08570	0.9
120.05689	0.6
121.06525	3.6
122.07287	0.9
123.04402	0.8
123.08066	1.3
124.05195	1.1
125.05994	1.0
127.03914	1.5
131.04930	1.3
132.05681	0.7
133.05031	1.9
133.06496	15.6
134.03596	0.4
134.07292	0.8
135.04410	1.7
135.08075	3.3
135.11685	4.1
137.05969	5.3
137.13261	0.7
138.09224	0.4
140.07050	0.7
145.04984	1.6
146.03557	1.0
147.04373	1.1
148.05200	1.0
149.05977	5.8
150.06763	8.0
151.07576	3.5
153.12758	4.5
159.04384	0.5
161.05995	2.6
163.03912	2.0
163.06107	0.6
163.07475	0.6
165.07790	0.7
165.09123	11.3
166.08670	0.8
167.07036	11.3
167.08429	0.7
173.09586	0.5
174.05435	0.4
177.05482	4.6
178.06223	1.3
179.05591	0.7
179.07048	2.2
180.07884	0.4
181.08594	1.6
182.09265	0.6
191.07047	0.7
193.08611	51.0
195.06494	1.3
197.11708	0.6
209.08098	14.7
210.08850	0.5
211.09657	100.0
212.10289	1.0
223.06013	0.4
259.08133	0.9
285.16968	0.6
295.10269	0.7
297.16940	0.4
313.11957	0.4
315.17938	1.1
333.19064	0.6
371.14706	1.1
371.63889	0.4
391.17706	0.5
403.17368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54199	0.4
52.87444	0.6
55.05512	0.8
57.03447	3.7
59.05001	1.1
61.02921	1.4
67.05513	0.6
69.03439	6.2
69.07066	2.1
69.37400	4.0
71.01366	0.9
71.04997	11.5
73.02922	7.8
73.06564	3.2
79.05492	2.6
81.03412	1.0
81.07068	13.3
85.02918	8.8
87.04443	0.7
91.05492	1.5
93.07055	9.5
95.08614	1.9
97.02903	8.0
97.06548	0.6
98.20694	1.0
107.08624	7.2
108.59411	0.6
109.02822	0.6
109.10178	1.2
111.08122	0.5
115.03946	6.6
127.03920	1.9
127.07242	0.5
133.04964	2.9
135.11702	16.2
145.04991	2.0
153.12761	100.0
163.06050	1.2
171.10237	0.7
171.13803	1.2
184.74419	0.5
241.07211	0.6
259.08160	1.4
295.10205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01862	1.8
55.05507	1.0
57.03437	3.7
59.05005	1.9
61.02927	1.9
63.88328	0.4
67.05492	0.5
68.71970	0.4
69.03145	0.4
69.03432	5.5
69.07061	1.4
69.30515	3.7
71.01344	0.5
71.04994	10.1
71.32839	0.4
73.02917	5.3
73.06551	2.8
79.05494	2.5
81.03410	1.4
81.07056	13.3
85.02905	15.0
87.04472	0.8
91.03947	0.8
91.05470	1.7
93.07043	9.4
94.61053	0.4
95.04968	0.4
95.08622	1.3
97.02896	10.5
97.06543	0.7
98.20747	0.8
99.04461	0.4
103.03940	0.8
107.08583	7.1
109.02888	2.5
109.10146	1.4
111.08076	0.7
115.03924	4.8
119.08519	0.5
125.22726	0.4
127.03902	5.5
133.04958	6.6
135.11684	17.8
137.09665	0.4
145.04964	6.4
151.24394	0.4
153.12743	100.0
163.05992	3.4
171.13799	1.8
174.85800	0.4
223.06084	1.4
241.07176	1.4
250.34662	0.4
259.08099	3.3
285.17023	0.8
295.10260	1.2
333.83325	0.4
488.84808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85151	0.5
55.01914	0.8
56.96612	0.8
57.03489	1.2
61.02994	1.4
68.07785	0.6
69.03508	5.8
70.06654	0.8
70.99931	0.9
71.05056	0.7
71.53716	1.0
73.02625	0.6
73.02966	1.1
77.00995	0.9
81.03500	1.7
82.99970	2.1
85.02913	9.3
86.99380	0.6
87.04514	0.9
91.04037	0.6
91.05555	0.8
94.99970	1.2
97.02888	5.0
98.97688	1.6
99.04531	1.4
101.00887	15.3
109.02994	1.7
110.97651	0.6
113.00852	3.9
115.02496	1.1
116.98628	0.8
119.01929	21.4
127.02434	3.9
127.03915	4.5
129.00513	0.6
129.04082	1.1
131.01918	14.0
133.03482	3.1
137.00923	0.9
137.03067	1.6
137.06010	0.6
139.02533	2.2
140.07005	0.8
141.00516	0.5
143.01904	25.0
144.00935	0.7
145.03557	13.4
145.05049	2.0
147.01436	1.1
147.03371	0.8
147.05136	2.1
149.03041	1.8
153.04059	1.3
155.01903	26.6
157.03470	10.1
158.99716	1.3
159.01466	1.7
159.05089	1.7
161.02965	23.6
161.04309	1.2
161.05669	1.1
162.03233	0.7
163.02841	0.7
163.04536	1.4
167.01874	11.4
169.03461	4.8
171.01532	1.0
171.05032	3.8
173.02971	36.5
174.97037	0.6
175.04535	3.2
177.02464	4.0
178.05014	0.6
179.01825	3.9
181.03537	1.2
183.00089	0.6
183.01332	2.6
183.03705	0.7
183.05008	3.2
184.04678	1.1
185.02965	49.2
186.03146	1.0
187.04546	4.6
189.06149	1.5
190.54170	0.6
191.02060	0.5
191.04008	1.8
195.03447	0.9
195.05119	0.7
196.04620	0.9
197.02965	16.7
199.04611	1.6
201.02461	57.8
201.06091	10.0
202.02617	1.3
203.04018	16.5
204.04143	0.9
205.05870	0.6
208.04605	1.1
209.02817	3.2
211.04637	1.5
213.02457	10.1
213.06082	1.7
215.04025	10.2
215.05888	1.0
219.03519	77.4
219.07129	3.1
220.03818	1.0
221.05099	5.5
221.07002	0.9
224.04173	1.1
225.02492	2.2
225.05998	1.2
227.04024	11.1
228.05185	0.6
229.05580	1.3
231.03488	11.8
231.07185	1.7
233.04991	1.4
237.02455	2.6
237.04623	1.5
238.05875	0.6
239.03925	1.7
239.06151	1.9
239.11786	0.6
242.05106	2.5
243.03615	3.4
243.07195	1.1
245.05084	100.0
246.05225	3.5
247.04556	0.9
247.06828	0.8
249.02802	0.6
249.04616	5.4
252.08656	1.0
255.03514	3.9
255.07336	0.7
257.05093	5.9
259.02362	3.7
259.06851	1.1
261.04599	14.7
261.07831	1.2
263.06140	13.1
267.03589	1.6
273.04517	2.6
273.07840	0.7
275.06137	17.6
276.06406	0.9
277.03448	13.0
279.05612	3.9
281.07013	0.6
281.56989	0.7
283.06757	1.0
285.04486	2.6
285.12210	1.1
291.03696	0.7
291.06027	1.0
291.09122	6.1
292.33624	0.5
293.07138	3.9
303.01385	2.1
303.05511	24.8
303.09097	5.0
303.13089	2.3
305.07181	11.2
309.04834	0.7
311.61694	1.0
317.07013	0.8
321.06738	40.0
321.10355	7.3
323.10199	1.1
335.08218	5.6
337.09467	2.4
344.08163	0.9
349.09491	0.8
363.07599	1.2
365.05206	1.0
365.09274	12.5
383.10281	1.2
405.06808	1.2
460.17374	0.6
465.10434	1.1
483.11380	35.7
484.12057	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	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90953	0.8
56.96554	2.5
57.03434	1.8
61.02905	1.4
61.74681	0.9
63.01493	0.7
63.14459	0.8
69.03429	6.2
70.42976	2.1
70.43301	1.0
70.99882	0.9
71.04996	1.4
73.02924	1.1
74.61998	0.8
77.00872	1.2
79.17533	0.8
81.03406	2.5
82.99873	2.9
85.02496	1.0
85.02912	10.3
89.00916	1.2
91.05443	0.8
94.99866	0.9
97.02909	6.1
98.97563	5.9
99.04441	1.3
101.00884	13.0
109.02872	1.4
110.97575	1.2
112.99176	1.0
113.00841	4.8
115.02408	2.3
116.98663	1.6
118.92375	0.8
119.01935	22.2
122.71593	0.9
124.99162	1.0
127.02431	4.2
127.03927	5.0
128.98618	1.6
129.00316	1.1
131.01920	13.8
137.05949	1.2
139.02429	2.0
143.00137	2.3
143.01909	26.2
145.03461	13.0
145.04945	3.4
146.99615	1.1
147.04378	1.1
149.02948	1.5
153.01823	1.3
153.03928	1.3
155.01892	27.8
157.03487	8.4
158.99634	3.3
159.01381	2.3
159.03246	1.0
161.01161	1.1
161.01495	1.3
161.02977	23.8
163.04604	1.1
167.01886	12.4
169.03465	3.8
170.99667	1.2
171.05043	3.1
173.02965	38.4
175.04550	3.0
177.00792	1.8
177.02455	3.5
179.01865	5.1
183.01364	2.9
183.05064	2.0
185.02969	44.1
186.03122	1.6
187.04597	6.3
189.00633	0.9
189.02553	0.9
189.06075	1.1
191.03975	1.8
197.01253	1.4
197.02977	16.7
199.04573	2.3
201.02460	61.2
203.04021	13.4
203.05833	1.0
203.07771	0.9
209.02974	3.1
211.04562	1.7
213.00523	1.2
213.02473	12.3
215.04022	10.1
219.03522	83.6
220.03729	1.0
221.03241	0.8
221.05116	12.3
227.04041	13.3
229.05505	1.7
231.03391	13.3
237.02554	3.9
237.04535	1.9
239.03952	1.6
239.06183	4.1
241.01277	1.2
242.05128	2.4
243.03490	3.3
245.05087	100.0
246.05167	2.5
249.04628	7.1
255.03584	6.4
257.05164	6.7
259.02362	12.3
261.04590	15.9
263.06149	16.7
267.03604	1.6
273.04526	1.8
275.06140	24.1
277.03448	38.2
279.05826	6.3
285.00226	1.1
285.04593	2.5
293.07327	4.0
295.07004	1.1
303.01364	7.0
303.05588	27.5
304.05881	1.3
305.07202	13.2
305.10574	1.7
307.03452	0.9
317.10873	1.8
321.06686	49.3
321.10034	1.9
333.10272	1.1
335.08173	3.5
335.11942	1.1
339.07715	1.9
349.07724	1.1
363.07584	1.2
365.09302	12.0
383.10434	2.4
391.07126	1.0
393.08527	1.1
405.07126	1.4
483.11890	45.0
484.12369	1.0
493.89688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
56.96572	0.6
57.03436	0.8
61.02925	0.5
67.05502	0.5
69.03437	1.5
69.07070	0.9
71.05001	0.7
71.53751	0.8
72.04512	0.5
79.05504	0.5
81.03420	0.9
81.07036	0.6
85.02909	3.4
91.05482	1.0
93.07052	0.8
95.04944	0.6
95.08603	1.0
97.02883	1.3
97.06509	0.5
98.97584	1.7
105.07030	0.9
107.04945	0.6
107.08618	0.7
112.07601	0.5
112.90055	0.4
113.06087	0.5
114.05508	1.3
119.04937	0.9
120.04807	0.7
121.10108	0.6
123.04450	2.5
124.07618	0.5
127.03937	0.9
135.11740	0.7
136.07608	0.6
137.06015	1.1
139.03902	1.0
145.04973	0.5
145.07645	0.7
146.05986	0.6
147.04449	0.8
149.09627	0.7
151.03902	1.6
152.07082	0.4
153.01831	0.7
153.12741	0.8
157.93390	0.5
158.99687	0.8
161.05965	1.4
167.07019	0.6
170.64365	0.5
173.07115	3.2
175.14720	0.5
177.05505	0.5
182.08163	0.5
189.05309	0.7
191.08505	4.1
193.08669	0.9
202.10808	0.6
203.36937	0.5
207.25746	0.4
219.06287	1.7
220.07147	0.4
227.05228	1.2
234.08636	10.2
235.09441	7.9
237.03032	0.6
257.12976	1.1
267.11307	1.1
271.04327	1.4
275.13898	1.1
285.12332	1.7
291.87207	0.5
303.08572	2.8
303.13437	6.2
321.14502	4.5
331.11600	1.2
397.14865	3.4
439.15781	21.1
483.14737	100.0
484.14902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81074	0.5
53.03929	0.6
55.05524	3.7
55.05742	0.8
57.03436	0.8
57.07089	0.9
67.05511	3.9
69.03423	2.9
69.07071	4.4
70.04060	0.7
71.04986	1.8
71.54311	0.8
72.34970	0.5
73.02901	0.6
79.05482	3.3
81.03414	3.2
81.07059	8.1
83.04948	1.0
83.08618	1.8
85.02885	2.8
85.06535	0.7
86.09728	0.6
91.03938	1.1
91.05475	2.6
93.07066	5.0
95.04971	1.9
95.08601	5.5
95.22825	0.7
97.02886	2.2
97.06535	1.2
97.10155	2.8
99.04432	0.8
105.07038	4.2
107.04946	0.7
107.08614	3.5
107.56255	0.6
109.02872	1.9
109.06514	1.4
109.10150	4.5
111.08088	0.7
111.11703	0.9
117.06968	1.0
119.08577	2.5
121.10157	4.1
123.04357	1.4
123.08072	1.1
123.11713	1.9
125.02438	0.6
125.09668	1.4
127.03911	1.9
131.08568	2.0
133.10120	3.0
135.08092	1.2
135.11717	2.4
136.20042	0.7
137.05988	0.8
137.09644	0.7
137.13252	0.9
139.03903	1.7
139.11198	1.7
145.04959	1.0
145.06425	0.8
145.10115	1.9
147.08046	0.7
147.11697	2.2
149.09595	1.5
149.13249	1.8
151.03889	1.3
151.11185	0.7
153.12692	0.7
157.10202	1.1
159.11722	1.8
160.80942	0.6
161.09656	0.8
161.13263	0.9
163.03973	1.1
163.06091	0.7
163.07477	0.7
163.11211	1.2
167.07127	1.0
173.13266	0.8
175.14836	0.9
183.11745	0.8
185.13231	1.0
187.14803	1.3
189.12811	0.8
189.16420	0.8
191.07065	0.7
193.12268	1.0
203.14474	1.0
219.13608	0.6
235.09679	1.3
303.23135	1.8
321.16727	2.7
322.13293	1.0
439.65970	0.8
447.27603	0.7
465.28598	1.8
483.22015	100.0
484.22192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
54.23445	1.8
55.05296	1.6
55.05517	17.2
57.07068	7.0
61.02920	4.2
65.03954	3.4
67.05507	23.9
68.92928	1.9
69.03429	8.2
69.07073	28.2
69.82679	10.6
71.05006	3.0
77.03919	2.4
79.05486	21.2
81.03424	5.9
81.07065	55.7
83.04987	3.7
83.08606	10.8
85.02901	19.3
85.06547	3.1
91.03958	5.9
91.05488	28.5
93.07049	80.0
95.04977	5.5
95.08614	80.0
97.02908	12.1
97.06513	3.9
97.10189	9.2
99.04464	2.3
103.05454	2.1
105.07037	51.7
107.07873	3.2
107.08598	64.5
109.06525	17.5
109.10165	41.7
109.10910	2.1
111.04442	2.3
111.08082	4.7
115.05434	2.3
117.07021	9.9
119.08588	56.6
121.06520	7.0
121.10149	55.1
121.11015	2.2
123.04454	3.5
123.08085	7.1
123.11722	23.6
125.09625	2.8
127.03910	9.1
128.06230	2.7
129.07019	4.0
130.07791	2.5
131.08572	30.5
133.06549	2.2
133.09239	3.5
133.10144	37.3
135.08083	10.5
135.11691	49.5
135.12703	2.5
137.09663	3.1
137.13249	14.4
139.03917	3.3
139.07538	3.6
139.11198	2.3
141.07016	3.1
142.07776	4.3
143.08557	13.9
144.09254	3.1
145.04985	8.7
145.06511	3.9
145.10129	41.4
147.08084	5.9
147.11697	33.0
149.09677	3.9
149.13274	24.2
151.03937	2.8
151.07594	2.2
151.11148	2.9
151.14838	1.9
155.08569	5.1
157.10127	14.5
158.10921	3.0
159.02901	2.9
159.08057	15.3
159.11694	24.9
161.09656	11.3
161.13287	21.3
163.06027	6.0
163.07512	3.0
163.11243	4.1
163.14836	10.1
169.10158	5.2
170.10893	2.9
171.08054	2.7
171.11688	13.2
173.09613	10.8
173.13272	24.0
175.11221	8.6
175.14804	9.0
177.12767	4.3
177.16434	5.8
181.10196	3.0
183.11729	7.6
185.09686	7.3
185.13287	11.8
186.10570	2.6
187.11276	10.4
187.14818	23.0
189.12825	6.1
189.16371	36.0
191.14343	7.4
191.17952	100.0
195.11816	3.3
197.09566	2.2
197.13266	7.0
199.11200	9.3
199.14796	9.3
201.12759	38.9
201.16391	22.0
203.14348	13.5
203.17943	23.5
205.15923	2.8
205.19574	4.3
209.13261	3.6
211.11256	5.4
213.12817	8.8
213.16382	4.5
215.14336	29.2
215.18028	6.0
217.15932	8.6
217.19560	8.4
223.14963	2.3
225.16502	3.7
227.14326	5.0
227.18011	3.0
229.15999	4.6
229.19615	4.3
231.13809	2.7
233.15457	8.1
241.15887	3.5
241.19672	2.5
249.14832	4.4
250.90898	2.3
251.16547	8.6
253.15912	5.4
255.17485	7.0
255.21239	3.1
257.19086	3.2
261.14835	19.4
267.17203	2.9
269.19077	3.9
269.22852	2.2
275.16415	14.8
295.24203	2.3
301.18167	2.5
313.25250	20.7
315.19748	2.8
327.20114	1.9
386.66010	2.1
387.30438	3.9
388.58267	2.0
405.31512	52.1
423.32721	27.2
441.33597	16.3
447.32733	5.0
465.33713	42.4
483.25705	9.5
483.34839	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00011	0.3
69.07069	0.5
69.21600	3.3
81.07084	0.8
89.06027	2.7
90.06358	0.5
93.07075	0.6
95.08607	1.0
105.07033	0.7
107.08611	0.7
109.10220	0.4
121.10171	0.5
133.08617	1.0
135.11694	0.5
177.11244	0.5
187.47322	0.4
188.31229	0.5
189.16403	0.6
207.21718	0.4
271.50763	0.4
283.17532	1.2
284.17960	1.1
391.06525	0.4
437.32697	0.4
483.38171	100.0
484.38626	1.9
507.24582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81839	0.5
67.05527	0.9
68.25810	0.5
69.07088	1.0
69.29738	3.8
79.05489	0.9
81.07066	0.9
89.06035	2.7
91.05519	0.7
93.07077	0.6
95.08635	1.7
98.20779	1.1
99.59532	0.7
107.08622	1.2
109.10189	0.9
119.08626	2.4
121.10173	1.0
123.11725	0.7
131.08595	0.6
133.08647	1.0
133.10191	1.6
135.11749	0.6
145.10149	0.7
147.11757	1.0
159.11789	0.6
163.14957	0.5
171.11746	0.8
175.14995	0.6
177.11247	0.6
189.16493	2.3
199.15033	0.6
217.15916	4.3
231.17531	0.6
268.64227	0.5
283.17657	1.4
284.18219	0.8
405.31650	1.6
423.32678	0.7
465.34155	0.9
483.38412	100.0
484.38715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42776	1.2
55.05510	2.9
57.07080	2.0
59.14138	1.1
63.97969	1.1
67.05496	4.0
69.03423	1.4
69.07079	3.9
75.12737	1.1
77.59856	0.9
79.05491	2.1
81.07057	9.3
82.58660	1.0
83.04984	3.1
83.08617	1.9
83.69732	1.0
89.06032	3.9
90.06374	1.1
91.05492	1.8
91.23878	1.0
93.07056	4.6
95.04987	1.3
95.08617	16.6
105.07041	4.1
107.08605	11.6
109.06570	1.1
109.10159	10.7
111.11745	1.4
119.08572	6.6
121.06468	1.4
121.10165	7.9
123.08108	2.0
123.11719	4.7
133.10143	6.5
135.08055	2.2
135.11702	8.8
137.09615	1.7
137.13252	3.7
145.10112	2.6
147.11713	3.9
149.09627	12.8
149.13274	2.5
159.11714	3.0
161.13237	2.2
163.11244	2.0
163.14905	2.1
171.11691	1.3
173.13272	1.6
175.14859	2.1
177.16429	2.5
187.14859	1.2
189.16457	5.2
191.18010	4.4
202.46172	1.1
208.87912	1.2
209.90846	1.1
210.52328	1.0
215.17926	2.4
233.19011	5.5
243.20892	1.4
277.18039	1.4
283.17648	2.8
284.17792	1.4
287.23721	4.6
423.35785	1.2
483.38397	100.0
484.38959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22139	0.6
52.71498	0.6
55.05497	2.5
60.35912	0.6
65.22703	0.6
67.05505	3.3
69.07058	3.7
69.83043	2.8
78.18507	0.7
79.05457	1.8
81.07060	4.4
83.08585	1.5
89.06026	0.9
91.05435	3.2
93.07047	5.0
95.08606	26.3
97.10139	1.8
99.04391	0.6
105.07041	7.4
107.08592	13.3
109.06502	1.8
109.10150	6.1
111.08067	1.0
119.08583	21.9
121.10147	6.6
123.08066	32.4
123.11693	1.4
124.08309	0.7
125.09644	4.8
131.08530	2.2
133.10135	10.0
134.61484	0.6
135.08066	5.3
135.11665	5.9
145.10106	6.0
146.10794	0.7
147.11693	19.7
149.09633	1.8
149.13258	0.8
159.11713	5.3
161.13251	4.2
163.14790	0.8
173.13245	7.8
174.14029	0.7
189.16385	65.0
191.17943	1.5
201.16397	16.6
207.17453	1.8
219.17442	100.0
249.18526	11.6
283.17352	0.8
391.84482	0.8
415.76013	0.7
423.36200	16.0
483.38367	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05497	2.4
56.96558	3.1
57.03442	18.4
57.07067	2.6
61.02907	8.1
67.05513	7.6
69.03434	26.0
69.07056	4.2
70.06583	4.2
71.01357	2.1
71.04990	4.0
71.54881	1.9
73.02916	36.1
79.05492	5.6
81.03410	5.0
81.07061	100.0
83.05006	1.9
83.08599	2.5
85.02910	64.3
87.04451	5.3
91.05443	1.5
93.07069	3.7
95.04945	1.6
95.08609	25.1
97.02280	3.3
97.02892	43.5
98.97594	4.4
99.04405	2.9
99.08088	2.5
105.07018	2.4
105.70531	1.8
107.08591	3.7
109.02863	8.2
109.10162	12.8
110.97600	1.4
115.03930	31.1
118.75026	1.7
121.02810	2.0
121.10172	1.7
123.04409	1.7
124.07629	4.0
125.09579	2.5
127.03921	21.1
127.07494	3.2
127.11199	5.4
133.04993	11.1
133.10107	1.4
135.11685	1.5
137.05992	5.4
137.13263	95.0
138.06378	1.8
138.09145	5.3
139.03848	2.1
139.07558	1.7
140.07021	2.6
143.10681	2.3
145.04964	23.3
147.04414	4.4
149.05992	1.7
151.03897	3.6
151.11316	1.4
152.07042	4.8
153.09085	2.6
154.08678	2.0
155.10667	3.9
155.14326	9.0
158.99672	2.2
163.06061	17.6
163.07449	3.1
173.11766	9.9
177.05496	1.8
179.07127	2.0
182.08139	8.6
184.07321	2.9
194.06009	2.3
196.06026	1.5
209.15028	1.6
223.06059	5.5
223.09091	3.3
241.07120	7.8
259.08160	21.3
280.10693	3.6
289.11273	4.7
294.02481	1.7
295.10260	55.3
313.11258	2.4
317.19681	9.6
322.12805	3.4
429.17767	2.4
484.20831	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	484.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01104	1.0
55.05506	4.1
57.07072	6.8
58.06595	3.9
59.82207	1.0
60.04536	8.3
67.05235	0.9
67.05512	9.5
69.07076	33.1
70.06577	5.7
71.08627	3.4
71.18391	2.5
72.08150	1.8
77.65921	1.0
79.05506	7.5
81.07062	50.0
83.08632	2.1
84.08150	8.3
85.10204	1.8
88.07648	5.7
91.05487	4.0
93.07044	8.9
95.08611	22.4
97.10151	1.0
98.09737	1.5
102.09201	5.2
105.07035	7.8
107.08604	9.4
109.10157	13.3
109.52251	0.9
114.71521	1.0
117.07023	2.0
119.08622	6.3
121.10141	6.3
122.10513	1.2
123.11713	3.8
131.08615	2.1
133.10161	6.1
135.11705	4.3
136.11899	1.1
137.13290	3.7
145.10130	2.6
147.11665	3.1
149.13237	3.1
159.11726	2.8
161.13242	1.6
173.13268	1.3
175.14825	1.7
187.14752	1.4
189.16394	2.7
200.20148	6.5
201.16325	1.7
203.17938	1.4
228.23271	8.7
283.26358	10.5
311.29498	8.4
311.93573	0.9
424.39429	1.7
466.34055	1.8
466.40506	4.2
484.41376	100.0
484.47418	37.2
485.41922	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	485.1293
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	0.7
55.40364	0.4
56.58816	0.4
56.96558	0.7
57.03437	0.8
67.05482	0.6
69.03442	3.4
69.33597	3.5
70.06583	0.4
71.04990	1.0
72.08120	0.5
73.02914	0.6
75.82265	0.4
78.28836	0.4
79.01859	3.1
81.03426	7.3
81.07046	0.5
85.02898	4.2
87.62119	0.4
91.05490	0.5
97.02906	6.8
98.21481	0.9
98.70238	0.4
98.97589	1.9
99.04456	1.2
103.03941	1.9
107.01317	1.5
107.04957	0.6
107.08606	0.4
109.02900	4.6
110.97583	0.7
111.04447	0.5
116.98615	0.7
123.04499	0.7
124.07533	0.6
125.02362	3.0
127.03915	7.0
131.04860	0.4
136.07605	1.0
137.05989	1.0
139.03926	1.7
140.07079	0.5
143.03419	4.5
145.05002	1.6
147.04457	0.8
151.64450	0.4
153.01845	100.0
153.02878	4.9
154.02240	0.9
154.08624	0.9
163.03952	1.0
164.07094	1.3
167.07072	0.5
168.10233	0.9
169.06165	0.5
171.02908	10.0
171.06509	1.3
179.07227	0.4
195.02972	0.5
207.06599	0.6
213.03984	1.0
219.01720	0.9
233.08238	0.5
237.02779	0.8
255.05093	1.8
261.07614	3.4
279.08658	1.5
297.06067	8.9
305.11334	0.6
315.07141	5.4
323.15878	0.7
348.79593	0.4
356.48074	0.4
443.08936	0.7
485.16891	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	485.3266
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05510	2.0
56.96563	0.9
67.05510	4.8
69.03442	1.1
69.07067	3.9
69.15724	7.2
71.04996	0.8
71.49994	0.7
79.05508	4.4
81.07069	8.3
83.08609	2.1
91.05503	5.0
93.07047	6.2
95.04974	1.6
95.08614	10.9
97.06546	1.3
105.07041	10.4
107.08602	9.6
109.06518	1.5
109.10161	4.6
111.08063	1.7
117.07011	1.3
119.08585	12.2
121.06538	1.2
121.10160	8.3
123.08063	1.7
123.11734	3.2
129.07033	1.7
131.08598	5.9
133.06586	0.9
133.10153	9.2
135.08066	1.6
135.11716	3.9
137.09593	0.8
139.11188	0.7
141.06801	0.7
143.08556	2.4
145.10143	10.1
147.08090	1.5
147.11679	4.2
149.09637	1.1
149.13229	2.6
151.11127	0.9
151.14822	0.9
153.09119	0.7
154.34943	0.8
155.08592	1.9
156.09384	0.8
157.10170	3.7
158.10890	1.6
159.08034	1.2
159.11707	6.1
161.09583	2.3
161.13255	2.6
163.11150	1.1
163.14787	1.9
169.10141	1.8
171.11696	2.7
173.09604	1.0
173.13274	8.2
175.11185	1.7
175.14833	5.6
177.16397	1.7
183.11711	2.5
185.13254	3.8
187.11206	1.2
187.14851	8.8
189.16409	4.4
191.14357	2.3
191.17953	0.7
195.11739	0.9
195.13792	0.7
197.13301	1.8
199.11238	1.0
199.14816	2.9
201.12726	1.6
201.16406	2.9
203.14331	1.2
205.15874	1.6
211.14737	1.7
213.12717	1.9
213.16391	1.9
215.14339	2.4
217.15828	1.2
219.13895	3.2
221.13208	0.9
223.14891	1.5
225.16479	1.4
227.14317	1.3
227.17986	1.1
229.15912	3.2
229.19447	1.0
231.13808	1.0
233.15396	1.9
239.14360	0.9
239.18044	0.9
239.93347	0.7
241.15816	1.0
241.19618	0.8
243.17247	0.9
247.16895	1.5
251.17975	1.6
253.19469	0.9
257.19043	0.8
303.19553	2.4
305.58194	0.7
331.45718	0.7
375.30219	0.8
385.28745	0.8
393.31580	1.2
397.27130	0.9
403.29782	2.7
421.26154	0.6
421.31027	13.9
431.29639	1.0
439.32120	5.3
449.30731	4.6
467.31622	100.0
468.31967	1.7
485.32736	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	485.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.05502	9.8
57.07064	3.6
67.05491	12.1
69.07082	11.1
70.06590	2.3
71.05003	3.0
71.63503	1.9
74.02641	2.5
79.05495	6.6
81.07048	21.0
83.08627	4.1
88.07654	2.5
91.05502	10.3
93.07049	15.8
95.08611	43.1
97.06539	4.2
97.10184	4.2
99.08089	4.1
105.07029	24.0
107.08592	30.4
109.06510	2.8
109.10163	24.6
111.08081	7.3
119.08578	37.3
121.10152	26.1
123.08073	7.7
123.11738	10.2
125.09634	4.3
131.08556	5.7
133.10147	33.7
135.11676	18.0
137.09618	2.8
137.13264	4.9
145.10092	5.9
147.11687	31.1
149.13264	9.5
151.11189	3.4
159.11676	4.4
161.13252	19.5
163.14882	8.7
163.25375	2.2
166.57797	2.1
171.11700	2.1
173.13266	4.6
175.14833	8.2
177.16406	6.9
183.24126	2.5
185.13155	2.7
187.14865	6.7
189.16389	5.4
191.17995	3.0
201.16454	3.0
203.17989	36.1
205.15886	7.6
217.15869	3.2
221.19003	4.9
223.16914	31.7
235.17018	3.6
256.26340	2.6
261.95847	2.3
407.33008	2.8
451.25406	2.3
467.34799	2.4
485.36279	100.0
485.47528	7.2
486.36801	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	485.3625
Annotation	Methyl kulonate
Peak:m/z	Relative Intensity
55.05508	2.2
56.92898	0.4
57.03421	0.5
57.07078	0.9
59.05009	0.4
65.97567	0.4
67.05503	2.4
69.07071	2.8
71.04990	0.8
74.50566	0.4
79.05478	2.2
81.07059	6.5
82.59754	0.5
83.04982	3.3
83.08612	2.1
85.06553	0.7
91.05482	10.6
93.07051	5.4
95.04982	0.6
95.08615	11.1
97.06513	0.9
97.10159	1.0
102.75877	0.4
104.06237	1.0
105.07032	9.3
105.93961	0.5
107.08598	10.2
109.06508	0.8
109.10157	4.6
111.08077	1.4
113.47075	0.5
119.08575	9.8
119.09361	0.7
121.06506	0.7
121.10153	7.7
123.08057	1.0
123.11686	3.3
125.09589	0.9
129.07059	0.8
131.08569	3.1
133.10132	29.8
135.08037	0.8
135.11679	7.3
137.09682	0.6
137.13287	1.1
139.11241	0.6
141.07039	0.5
143.08572	1.6
145.10124	2.3
147.08037	1.7
147.11668	3.6
149.09637	1.6
149.13264	3.6
151.11203	0.7
153.09200	0.5
155.08543	0.6
155.45898	0.4
157.10109	2.3
159.11696	2.4
161.09648	2.6
161.13289	2.3
163.11259	0.7
163.14816	2.9
169.10196	1.0
171.11755	1.5
173.13222	2.9
175.11176	0.9
175.14830	8.6
177.16377	3.8
183.11717	1.3
185.13260	1.1
185.30933	0.5
187.11230	1.1
187.14844	3.8
189.12785	2.8
189.16379	21.9
191.17941	1.5
197.13237	2.4
199.14822	2.8
201.16385	1.5
203.17924	0.7
207.17471	0.8
211.14850	1.1
213.16478	1.6
215.14346	3.4
215.17990	0.7
217.15855	4.6
227.17975	1.8
229.16022	0.7
229.19510	1.2
229.38351	0.4
231.17433	2.0
235.16928	3.0
241.19695	0.5
243.21120	1.7
245.19060	0.9
249.18507	1.1
252.41028	0.5
253.19595	2.5
255.20952	0.5
267.21219	0.6
271.20557	5.6
275.20224	1.1
292.95380	0.5
292.99014	0.5
298.83301	0.5
320.44656	0.5
320.97183	0.5
370.58289	0.5
389.31860	0.5
407.32968	2.6
425.34161	56.4
426.34402	1.0
429.08179	0.5
467.36063	0.6
485.36310	100.0
486.36624	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	485.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05511	2.8
57.03422	0.4
57.07080	2.2
59.04987	0.3
67.05185	0.4
67.05506	5.3
69.06686	0.4
69.07069	6.7
70.01630	1.2
70.06579	0.8
71.04971	1.3
71.08624	0.8
74.28541	0.3
77.03870	0.3
79.05502	4.3
81.07060	16.4
83.04974	0.3
83.08620	2.9
83.37720	0.3
85.06561	0.7
88.07612	0.7
91.04964	0.4
91.05482	4.4
93.06487	0.7
93.07053	12.6
95.04980	3.0
95.08611	30.7
97.06532	6.2
97.10168	2.6
99.08079	1.2
102.09163	0.5
105.07036	14.4
107.08597	20.1
109.06530	2.3
109.10163	15.0
109.10927	0.5
111.08086	16.0
113.09641	0.6
115.05432	0.4
117.07046	1.9
118.02541	0.3
119.08583	24.1
121.06474	1.3
121.10150	20.9
123.08091	5.1
123.11712	10.5
125.09630	1.7
129.07016	0.5
130.07780	0.8
131.08571	5.2
133.10139	23.8
135.08054	1.6
135.11699	22.1
136.12082	0.3
137.09631	3.2
137.13240	2.7
139.07515	1.2
139.11200	2.1
143.08542	0.7
144.09294	1.1
145.10124	14.0
147.11696	8.0
149.09637	1.9
149.13274	4.8
151.11159	2.2
153.12708	1.0
157.10141	0.9
158.10902	0.4
159.11693	19.3
159.85686	0.3
161.09767	0.3
161.13258	6.6
161.14566	0.3
163.11197	2.2
163.14835	2.6
171.11684	0.5
172.12270	0.6
173.13266	4.6
175.14832	11.9
177.11407	0.4
177.12781	1.4
177.16400	2.7
179.14317	0.4
179.18004	0.4
186.13977	0.3
189.14589	0.3
189.16383	13.5
191.14365	0.9
191.17955	13.9
193.15894	1.1
200.20107	0.7
201.16394	19.6
205.15897	1.2
207.17448	100.0
208.17775	0.8
215.17999	0.6
217.15897	1.5
219.17450	19.6
228.23198	0.7
229.23601	0.5
235.16934	2.1
237.18442	1.6
279.19562	6.1
283.26239	0.9
284.26617	1.1
311.29257	0.5
312.29697	0.7
437.05692	0.4
467.35327	0.6
485.36288	76.5
485.46429	6.1
486.36618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14832	0.3
52.19552	0.3
53.03952	0.6
54.41598	0.4
55.01880	0.7
57.03440	1.6
61.02932	1.5
65.52155	0.3
69.03441	5.7
69.07073	0.8
70.04086	100.0
70.93059	0.7
71.01366	0.4
71.04990	0.8
73.02914	0.5
73.06581	0.5
81.07050	0.6
85.02915	12.3
87.04504	0.7
97.02910	3.1
99.04467	1.2
100.05121	0.4
103.05500	0.5
109.02895	1.0
115.05487	0.6
116.06233	0.7
125.01557	14.4
125.35328	0.3
127.03923	2.1
128.06236	0.8
130.07811	0.7
137.52257	0.3
139.03125	2.7
142.07758	0.6
144.09337	1.0
145.04980	1.6
151.03122	10.6
163.03145	2.4
163.37250	0.3
165.04692	3.9
177.04675	1.8
179.06247	4.1
181.04211	1.1
207.09419	1.1
219.09412	0.6
244.56471	0.4
276.12650	3.7
288.12729	0.8
306.13708	12.4
324.14764	78.9
325.14792	0.6
394.17145	0.4
468.19031	0.4
486.13235	0.6
486.20096	9.1
513.45422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.1
53.03949	0.4
55.01875	0.6
55.05513	0.5
57.03437	1.5
57.07074	0.5
59.05011	0.2
61.02931	1.5
68.66506	0.1
69.03433	5.5
69.07069	1.1
70.04079	100.0
70.54921	0.3
71.01361	0.3
71.04994	0.9
73.02915	0.8
73.06559	0.5
79.01060	0.1
79.05502	0.3
81.07062	0.7
83.08603	0.1
85.02907	13.8
87.04472	0.9
89.03925	0.2
91.03979	0.3
91.05465	0.2
93.07047	0.2
95.08613	0.4
97.02897	4.2
99.04446	0.7
100.05105	0.4
101.02367	0.2
103.03950	0.2
103.05482	0.5
105.07059	0.2
107.08640	0.3
109.02886	1.4
109.10153	0.2
115.03944	0.3
115.05434	0.7
116.06235	0.6
119.08566	0.2
121.10195	0.1
125.01546	13.7
127.03911	2.1
128.06207	0.6
129.07022	0.4
130.07813	0.6
133.10219	0.1
135.17383	0.1
139.03091	2.7
141.01048	0.3
142.07811	0.5
143.08540	0.7
143.13963	0.1
144.09319	1.0
145.04976	1.3
149.01616	0.1
151.03102	10.8
153.04686	0.4
155.06030	0.1
156.09370	0.2
163.03104	2.1
163.05972	0.1
165.04684	4.5
165.06088	0.2
169.10146	0.1
177.04688	1.9
179.06226	4.7
181.04126	0.9
191.06288	0.3
193.07689	0.2
194.04855	0.2
207.09370	1.1
219.09344	1.0
237.10449	0.3
250.07372	0.1
255.09232	0.1
273.83826	0.1
276.12637	3.3
288.12595	0.7
292.90530	0.1
306.13675	10.9
307.13651	0.1
324.14734	69.1
325.15054	0.5
325.60596	0.1
468.18964	0.5
486.20004	12.0
487.20078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55769	0.2
54.43680	0.2
55.01863	0.2
55.05506	0.3
56.96557	0.4
57.03431	0.4
59.80665	0.2
61.02912	0.4
67.05492	0.6
69.03433	1.1
69.65304	0.6
69.65726	0.9
70.06594	1.3
71.04982	0.6
73.02914	0.3
79.05484	0.4
81.03404	0.7
81.07065	1.2
81.57225	0.3
83.04987	0.3
85.02904	1.7
86.09723	0.3
87.04469	0.3
91.05463	0.3
91.65747	0.2
93.07039	0.8
95.08592	0.5
97.02881	0.7
98.97559	1.0
99.04436	0.3
101.53018	0.2
105.07002	0.6
107.04995	0.2
107.08597	0.3
109.02850	0.2
109.06491	0.4
109.10151	0.5
112.08757	0.4
116.98663	0.3
119.08558	0.4
121.02929	0.3
121.06518	0.4
121.10123	0.5
121.64531	0.3
127.03915	0.5
133.10124	0.6
137.05984	0.6
145.04968	0.3
145.10158	0.4
147.11716	0.3
151.07558	0.4
153.01802	0.5
159.08041	0.3
161.06061	0.3
165.09125	0.6
167.07074	0.3
185.04224	12.2
209.10052	0.4
212.07481	0.6
224.55484	0.2
225.06625	0.4
237.02881	0.3
239.09715	0.2
280.10739	0.3
283.11972	0.5
303.05017	0.5
307.12442	0.5
324.02423	7.2
325.03171	6.0
325.20166	0.3
333.07901	2.0
335.09543	3.7
355.17410	0.4
361.04156	0.3
381.01117	0.3
422.70541	0.2
427.16541	1.7
455.19846	0.4
487.08514	100.0
487.21378	36.4
488.08591	1.8
488.20667	0.4
492.68134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.9
69.03412	1.1
85.02908	2.0
95.01093	1.4
96.01895	1.0
97.02872	1.2
98.97587	2.4
109.02885	1.0
112.99129	0.8
113.02151	2.3
116.98626	0.8
123.04401	0.7
123.21288	0.6
137.06018	0.8
139.03842	0.8
142.43571	0.6
142.92093	0.6
143.00116	0.9
146.99615	0.7
152.07111	0.9
153.01819	1.0
154.08699	0.8
157.04808	1.0
158.99626	0.7
161.01262	0.6
164.07104	0.8
167.03305	0.7
177.05211	0.9
185.04216	4.2
201.03773	1.4
203.05219	0.6
205.04706	10.9
208.09729	0.8
209.62315	0.6
237.02763	0.7
243.08459	0.9
247.09235	0.8
250.08141	10.1
259.07962	1.8
293.10153	0.7
307.12698	3.0
325.13718	1.1
383.13251	1.5
429.65698	0.8
487.17978	100.0
488.18143	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	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
69.59324	1.1
81.07050	0.4
85.02895	0.6
91.05464	0.3
93.07040	0.4
97.10155	0.3
98.97590	0.2
105.07023	0.3
119.08582	0.2
178.37393	0.2
203.05264	1.2
217.65312	0.2
239.09592	0.4
275.07300	1.1
299.57303	0.2
317.08313	0.4
319.51730	0.2
335.09482	12.5
335.90121	0.2
351.43561	0.2
355.17282	4.9
427.16422	0.3
487.21512	100.0
488.21991	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	487.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.3
69.07056	0.5
70.06579	0.3
71.04266	0.5
71.04977	0.3
71.45186	0.2
76.10999	0.2
79.63578	0.3
81.03448	0.4
81.07046	0.5
85.02899	0.4
95.08631	0.4
98.97559	0.3
107.08607	0.3
127.03917	0.3
133.10146	0.3
143.90457	0.3
193.12254	0.3
203.05270	0.6
275.07449	0.7
317.08453	0.8
335.09515	8.5
337.53638	0.3
348.06625	0.3
352.67346	0.3
355.17313	4.3
485.08701	0.3
487.21564	100.0
488.22073	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	487.3425
Annotation	gypsogenic acid
Peak:m/z	Relative Intensity
55.05524	4.7
55.54152	0.7
57.07063	2.2
65.03912	0.7
67.05509	7.2
69.07072	8.5
69.43009	5.5
73.72928	0.7
79.05486	4.4
81.07062	16.1
83.04967	1.0
83.08614	3.3
85.06523	0.9
91.05477	5.4
93.07052	10.2
95.04952	1.2
95.08611	24.1
97.06516	0.8
97.10150	2.4
105.07041	12.8
107.08604	16.7
109.06543	1.4
109.10164	13.6
111.08055	2.3
117.07036	1.5
119.08591	21.6
121.06499	1.5
121.10143	12.8
123.08064	2.1
123.11720	7.2
125.09598	1.1
129.06972	1.5
131.08603	7.7
133.06509	1.3
133.10136	12.7
135.08060	1.4
135.11684	6.8
137.09633	1.8
137.13271	7.4
139.07542	2.2
141.07025	0.8
141.81976	0.8
143.08572	3.3
145.10123	9.1
147.08034	1.4
147.11687	9.7
149.09625	2.1
149.13278	5.8
151.07500	1.1
151.11244	1.4
151.14818	2.3
153.09134	2.1
155.08557	2.0
157.10158	5.6
158.10957	1.1
159.08092	1.0
159.11696	7.4
161.09624	1.7
161.13274	7.6
163.07489	1.1
163.14853	5.4
165.09122	2.6
169.10118	2.6
171.11710	5.5
173.09775	0.9
173.13257	9.8
175.14836	15.2
177.16383	3.7
179.10678	1.9
179.14316	1.0
183.11664	2.2
185.13321	3.9
187.11223	1.3
187.14828	11.8
189.12787	1.6
189.16383	11.7
191.14311	1.8
191.17961	2.3
193.12250	2.9
193.15897	1.1
195.11685	1.3
197.13393	3.7
199.11136	1.2
199.14859	3.9
201.12750	1.4
201.16382	5.2
203.14244	1.8
203.17969	4.5
207.13751	0.8
207.17494	1.3
209.13406	1.8
211.14799	3.5
213.12860	0.8
213.16414	4.8
215.14365	1.5
215.17943	2.9
217.12202	0.9
217.16051	1.3
219.13708	1.5
219.17450	2.0
221.15363	3.7
223.14822	1.7
225.16351	3.4
227.17960	7.1
228.18750	1.0
229.15886	1.3
229.19569	4.0
231.17407	1.4
233.15393	2.5
235.16913	2.1
237.16371	1.2
239.17905	3.3
241.19531	2.6
243.17506	1.2
247.16978	1.8
249.18611	2.0
251.17874	1.0
253.19505	4.1
255.17445	1.4
255.21066	1.8
257.15366	1.3
259.16992	1.2
267.21060	1.9
269.15454	0.8
269.19043	1.2
271.16843	1.2
273.18509	6.2
275.20126	1.1
279.20996	1.0
281.22662	1.1
285.18460	1.8
287.20065	3.1
293.22757	1.2
299.20038	3.1
307.24057	1.7
313.21579	1.1
321.25909	0.9
325.22006	0.9
335.27365	0.9
339.23218	2.1
345.25531	0.9
353.24728	0.8
363.26819	1.3
367.26114	1.0
377.31992	8.4
380.26862	1.1
381.27734	1.0
387.30450	2.1
395.33215	7.0
405.31509	8.5
423.32651	48.7
424.32938	0.9
433.31119	5.7
439.32095	0.9
441.27942	1.2
441.33685	23.1
451.32153	7.8
468.49500	0.8
469.33182	100.0
470.33328	2.3
487.34366	31.4
511.20273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	Iridotectoral B
Peak:m/z	Relative Intensity
55.05504	4.2
56.96563	1.1
61.02901	1.4
62.05410	1.0
66.48954	1.4
67.05503	4.9
69.07069	6.4
70.58964	3.1
70.59348	1.2
79.05498	4.1
79.63248	1.0
81.03400	1.2
81.07063	9.8
83.08611	2.1
85.02898	2.5
87.47202	1.0
91.05484	6.8
93.07040	9.9
95.04992	1.2
95.08610	12.4
97.02896	2.0
105.07037	12.0
107.08605	18.2
109.06478	1.8
109.10169	10.0
117.07016	2.4
119.08586	17.8
121.06510	1.4
121.10151	13.9
123.08031	2.6
123.11720	2.1
131.08585	5.7
131.09509	1.0
133.10135	35.5
135.08063	2.3
135.11694	10.6
137.09663	1.1
142.07701	1.1
143.08578	3.4
145.10123	11.0
147.08054	1.9
147.11670	9.8
149.09668	2.5
149.13249	5.5
154.46054	1.1
157.10133	5.2
159.11716	7.5
161.09560	3.0
161.13316	6.4
163.11252	1.3
163.14799	4.6
165.09161	1.3
169.10173	1.9
171.11729	4.3
173.09619	2.4
173.13260	14.1
175.11165	1.9
175.14844	18.0
177.16331	2.0
183.11678	2.0
185.13206	2.7
187.11107	1.6
187.14827	17.1
189.12715	3.3
189.16391	20.1
191.14372	1.3
197.13271	3.0
199.14835	6.0
201.12849	1.2
201.16342	2.6
203.14240	2.2
203.17975	1.5
211.14838	3.0
213.12787	1.4
213.16389	2.7
215.14366	12.1
217.15923	5.5
225.16368	2.6
227.17943	2.4
229.15887	1.5
231.17432	1.5
239.18044	2.1
241.19344	2.7
243.17442	2.6
250.67838	1.2
257.19070	2.0
265.19495	1.7
267.09070	1.9
285.10272	1.4
289.17996	1.9
297.22220	1.9
304.10349	1.1
314.05768	1.4
343.22815	2.3
387.30338	3.5
396.22623	1.4
405.31512	12.2
423.32608	2.7
433.30859	4.2
433.96793	1.1
441.33643	1.9
451.32120	100.0
452.32486	1.6
469.33182	82.7
470.33386	1.4
487.34418	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	487.342
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
53.03947	0.7
55.05502	2.1
57.07070	0.4
59.84575	0.5
67.05501	4.5
69.07050	2.0
71.22830	0.4
77.43671	0.4
79.05482	1.9
81.03401	0.4
81.07064	4.4
83.04983	3.9
83.08626	3.5
89.72186	0.5
91.05476	2.5
93.07048	6.2
95.04944	0.5
95.08612	30.4
105.07045	3.4
107.04996	0.5
107.08609	6.3
109.06525	1.1
109.10167	3.8
111.08134	0.4
116.75845	0.5
119.08585	9.2
119.09351	0.3
121.06525	4.5
121.10155	3.9
123.08054	1.2
123.11691	1.9
131.08553	1.5
133.06512	0.7
133.10146	3.3
135.08049	1.8
135.11697	3.4
137.09630	0.8
139.07539	5.8
142.56027	0.4
143.08583	0.8
145.10155	2.4
147.08046	9.7
147.11671	2.9
149.09726	1.1
149.13304	2.2
151.07555	1.6
153.09084	1.4
157.10187	1.6
159.08009	0.8
159.11720	2.1
161.09639	1.8
161.13272	2.0
163.07527	0.8
163.11157	0.8
163.14815	1.0
165.09114	3.3
171.11705	1.9
173.09665	1.1
173.13295	1.5
175.11160	1.7
175.14844	2.8
177.09076	0.6
177.12802	0.5
177.16393	1.7
181.10086	0.5
185.13254	0.9
187.11192	1.1
187.14825	2.1
189.12802	0.9
189.16422	1.9
191.10721	0.6
191.14375	0.7
197.13237	0.5
199.11188	1.2
199.14857	1.3
201.12672	1.1
201.16377	0.7
203.10605	0.7
203.14388	2.5
205.15878	2.1
209.13380	0.5
209.15251	0.6
213.12729	0.9
215.14279	1.3
215.17957	1.1
217.12277	0.5
217.15831	2.4
225.16345	0.4
227.14415	0.8
229.15868	0.8
231.17334	1.0
235.16913	0.8
241.15927	1.0
243.17467	1.0
247.16982	0.6
255.17406	0.7
259.16904	0.5
259.20483	0.6
261.18698	0.6
269.19052	3.3
271.16879	0.5
287.20114	2.8
297.22318	0.6
307.23816	0.6
317.22260	0.6
325.25119	0.8
327.23306	0.8
335.23758	1.0
344.24875	0.5
345.24249	0.8
353.24719	2.2
371.25845	6.0
405.31290	2.5
423.32642	4.8
441.33649	100.0
442.34116	1.7
446.05170	0.5
469.33417	0.7
487.34241	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	487.3422
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
53.03966	1.7
55.01875	1.6
55.05521	7.2
56.96573	3.0
57.03436	3.0
57.07077	2.6
59.05000	1.8
61.02925	2.4
63.20167	1.3
64.22153	1.2
65.78558	1.2
67.05511	11.1
69.03439	2.2
69.07067	10.4
69.87480	3.4
69.87878	3.2
71.01337	1.6
71.05008	2.3
73.02898	1.4
79.05502	6.9
79.44199	1.3
81.03435	3.2
81.07062	18.2
83.04982	2.2
83.08619	6.2
85.02917	4.9
85.06543	2.3
91.03962	1.5
91.05493	9.6
93.07050	15.5
95.04966	3.2
95.08614	29.1
97.02884	3.3
97.06528	2.1
97.10175	2.7
98.97593	2.6
101.20379	1.6
105.07039	27.4
107.08601	24.2
109.06522	4.0
109.10159	19.9
111.08107	3.6
111.15833	1.5
117.07076	2.7
119.08582	47.1
121.06527	1.9
121.10152	51.1
123.08091	4.2
123.11747	9.3
129.07027	3.6
129.35481	1.4
131.08592	8.9
133.06479	2.3
133.10143	32.0
133.11082	2.5
135.08055	2.2
135.11694	13.8
137.09602	3.2
137.13246	2.4
143.08588	7.1
145.10129	21.3
147.08041	2.8
147.11696	14.3
149.06006	1.5
149.09676	2.7
149.13263	19.0
151.07542	1.7
151.11145	1.9
151.14845	3.3
153.09172	2.0
155.08513	1.8
157.10117	7.6
158.10945	1.9
159.11717	11.9
161.09645	4.0
161.13269	12.4
163.14859	8.6
165.12907	1.9
165.16513	1.7
169.10197	3.6
170.10922	1.4
171.11705	7.0
173.09663	1.6
173.13300	12.2
175.11266	1.9
175.14830	50.0
177.12869	2.2
177.16360	6.9
179.10724	2.5
183.11752	3.2
185.09715	1.9
185.13245	6.5
187.11249	2.7
187.14830	31.3
187.16422	2.2
189.12810	4.7
189.16383	39.3
191.10663	1.5
191.14317	3.2
191.18027	3.7
193.15875	27.3
197.13280	3.8
199.14813	11.5
201.12874	1.6
201.16408	12.0
203.14413	4.7
203.17934	9.8
205.15967	2.8
207.17520	4.4
209.13289	1.9
211.14992	1.9
213.16452	5.2
215.14372	16.5
215.18044	4.3
217.15926	12.0
223.14847	2.0
225.16447	2.9
227.18018	5.2
229.15915	2.1
229.19449	2.7
231.17517	3.5
233.15439	4.0
235.17030	10.2
239.18233	2.6
241.19585	2.1
243.17563	2.8
245.15521	1.7
245.19138	2.2
249.18614	1.7
255.21141	1.5
257.19089	1.9
263.16443	1.6
267.09180	2.9
271.20584	2.9
285.10046	3.0
289.17801	2.0
324.11758	1.7
340.63205	1.4
383.50684	1.4
387.30627	6.7
405.31494	9.5
423.32840	10.0
433.31241	14.5
441.33826	12.8
451.32120	63.7
452.32623	2.4
469.33270	91.2
470.34262	1.6
487.34314	100.0
488.34830	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	487.342
Annotation	Actinidic Acid
Peak:m/z	Relative Intensity
53.03920	1.0
55.05511	6.0
57.07069	3.0
57.69873	1.0
67.05505	7.0
69.07070	11.4
71.08614	1.3
71.40216	1.7
72.93684	1.1
79.05497	5.6
81.07059	19.7
83.04957	2.6
83.08615	4.9
91.05459	6.0
93.07049	13.7
95.04990	2.0
95.08607	27.2
97.06499	2.7
97.10160	4.1
105.07040	15.2
107.08595	21.7
109.06493	3.2
109.10151	15.2
111.08095	1.7
113.06133	1.1
117.07018	2.4
119.07803	1.9
119.08588	24.3
121.06467	1.8
121.10146	20.4
123.08050	2.9
123.11709	11.6
125.09628	1.2
131.08592	6.4
133.06477	1.3
133.10144	14.9
135.08089	5.7
135.11710	10.2
137.09651	1.7
137.13232	4.0
139.07571	2.1
143.08562	4.1
145.10126	10.9
147.08055	2.6
147.11688	10.0
149.09634	4.3
149.13226	6.4
151.11195	3.1
153.09116	2.7
155.08534	1.7
157.10138	5.8
159.11723	6.8
161.09648	3.8
161.13274	8.4
163.11174	4.7
163.14816	7.3
167.10660	4.2
169.10115	3.2
171.08116	1.3
171.11681	4.0
173.09666	2.0
173.11827	1.5
173.13223	7.6
175.11237	2.3
175.14828	44.4
177.12753	6.1
177.16389	14.3
179.14287	1.4
181.12262	2.3
183.11711	4.6
185.13225	4.3
187.11255	1.5
187.14830	7.8
189.12767	3.2
189.16362	4.8
191.10800	1.7
191.17987	1.6
193.15865	3.1
195.11652	1.3
197.13272	3.4
199.14792	2.4
201.12726	1.5
201.16393	8.0
203.14336	21.7
203.18021	2.3
205.15880	2.2
211.14804	1.7
213.16351	5.3
215.14343	2.2
215.17981	1.8
217.15926	2.1
219.13916	1.6
219.17438	5.4
221.15388	11.2
223.16907	2.7
227.17970	4.6
229.15875	3.7
231.17337	1.4
235.17065	1.6
237.18542	3.7
239.17860	3.3
241.19580	2.2
243.17477	1.5
245.19037	1.6
247.16992	5.9
249.14815	11.9
253.19514	7.1
255.17528	2.0
255.21085	1.7
265.17975	2.2
267.21143	2.2
269.19019	2.4
271.20612	4.1
273.18460	2.0
273.22064	2.0
277.21777	1.1
290.24722	1.2
295.17047	1.5
299.20111	2.4
313.21600	1.9
325.25284	2.5
331.22723	1.1
351.26678	1.9
367.26044	1.3
377.31958	1.4
382.21967	1.2
387.30240	2.8
405.31430	10.4
415.30185	1.3
423.32571	37.2
433.31213	2.5
441.33618	35.7
451.31955	12.6
469.33081	20.2
487.34241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
50.18656	0.6
53.03947	0.9
55.01874	0.8
55.05514	3.6
57.03453	1.0
57.07079	1.5
58.06623	0.7
59.04987	0.8
59.39775	0.7
67.05511	6.4
68.76770	0.6
69.03425	2.4
69.07076	5.4
69.69364	2.3
71.04987	3.5
76.30522	0.6
79.05494	5.8
81.03423	2.2
81.07061	16.0
83.04989	2.9
83.08627	2.5
84.17038	0.7
85.02910	4.4
85.06539	2.4
91.05480	7.9
93.07047	15.7
95.04969	3.5
95.08617	16.7
97.02888	1.4
97.06511	3.1
97.10169	1.7
98.97575	0.8
99.04476	1.9
99.08118	1.6
103.05531	0.7
105.07040	21.7
107.04969	1.4
107.07884	1.2
107.08601	20.5
109.02897	1.1
109.06518	3.6
109.10165	12.1
110.97652	0.8
111.04404	0.7
111.08111	1.9
115.05457	1.0
117.07037	2.7
119.04993	0.8
119.08586	21.8
121.06535	1.9
121.10146	11.2
123.04443	1.4
123.08073	3.4
123.11720	5.7
125.05972	0.8
125.09644	4.3
127.03954	2.1
127.07636	0.6
127.11202	1.5
128.06215	0.8
129.06987	1.5
129.09253	0.7
131.08594	8.4
133.06477	1.1
133.10141	18.6
134.97601	0.6
135.08064	3.5
135.11703	18.2
137.05995	2.1
137.09639	4.4
137.13293	1.3
139.07610	0.8
139.11220	1.5
141.07008	1.2
141.09117	0.7
142.07790	1.1
143.08559	4.2
143.10641	2.9
145.05008	1.2
145.06549	0.7
145.10117	9.0
147.04431	1.5
147.08075	1.7
147.11702	10.0
149.06013	1.4
149.09633	3.7
149.13335	2.9
151.07469	0.7
151.11195	3.1
153.09058	0.9
153.12703	1.2
155.08586	2.3
156.09352	1.0
157.10104	5.5
159.08086	2.5
159.11693	8.9
161.09604	3.9
161.10767	0.5
161.13292	5.8
163.07593	1.2
163.11188	1.8
163.14832	4.9
165.09106	8.4
165.12817	1.4
168.09331	1.1
169.10121	3.4
171.07951	0.8
171.11699	7.3
173.09656	1.4
173.13274	9.9
173.14668	0.8
175.11235	2.6
175.14845	7.4
177.09146	1.3
177.12773	1.1
179.10712	1.0
179.14445	0.6
181.10030	0.8
182.11009	0.8
183.11728	7.1
185.09723	1.6
185.13263	7.7
187.11232	1.7
187.14821	4.8
189.12802	6.5
189.16393	21.4
191.14352	1.4
191.17920	1.0
193.15903	1.1
195.11731	1.6
197.13272	6.2
199.11127	0.8
199.14851	3.5
201.12756	9.6
201.16435	1.4
203.10709	1.8
203.14299	3.6
203.17982	1.3
205.12206	1.3
205.15974	0.9
207.17453	29.4
209.13319	1.4
209.15215	0.9
211.14890	2.4
213.16406	2.0
215.14378	2.2
215.18013	0.7
217.12302	1.4
217.15973	1.3
219.13823	5.2
221.15388	1.3
225.16525	0.7
229.12253	1.0
229.15858	2.0
231.13852	1.4
231.17419	1.2
233.15416	0.7
235.16866	1.3
241.15712	0.7
243.13861	8.9
247.13275	7.7
247.17091	0.7
251.18062	1.0
253.19508	1.3
257.19098	1.6
259.20630	0.8
265.14224	3.6
269.19055	1.2
271.20490	1.1
283.20825	0.8
287.20071	1.5
289.21786	0.7
393.31857	1.5
405.32080	1.1
411.28397	0.4
411.32608	30.7
423.32648	3.8
441.33752	6.8
451.31995	2.5
457.33401	5.2
469.33267	34.4
470.33298	0.8
487.19571	7.2
487.34274	100.0
488.34836	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	487.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.7
57.07069	3.4
67.05239	1.0
67.05519	11.9
69.06720	1.5
69.07072	17.0
69.39292	7.6
71.04997	1.5
71.08601	1.3
72.14298	0.9
73.85277	0.9
79.05509	8.5
81.07061	35.0
83.08620	7.2
87.04473	1.1
87.72363	0.9
90.64081	0.9
91.05492	7.2
93.07047	24.0
95.04452	1.0
95.04975	6.3
95.08614	83.2
97.06559	7.8
97.10181	5.5
99.08096	6.5
105.07041	21.1
107.08601	34.9
109.06527	4.1
109.10165	33.4
111.08088	5.5
111.11737	12.5
111.12458	1.6
117.07047	2.9
119.08597	33.7
121.06520	2.0
121.10149	41.5
123.08094	6.0
123.11721	22.1
125.09625	3.2
128.07132	1.0
129.07027	1.1
131.08600	10.1
133.10144	32.2
135.08067	3.4
135.11700	50.5
137.09624	4.2
137.13289	7.4
139.07555	4.2
139.11209	3.8
143.08571	2.1
144.09358	1.7
145.10143	22.9
147.11703	13.4
149.09619	2.7
149.13277	7.7
151.11211	1.6
153.12727	1.2
157.10167	1.5
158.10941	1.5
159.11705	34.7
161.09605	1.5
161.13269	14.7
163.11197	3.8
163.14842	2.7
165.16354	1.2
171.11775	1.2
173.13284	12.4
175.14856	22.8
177.12817	1.7
177.16425	4.0
179.10689	1.7
189.16396	21.0
191.14343	1.8
191.17964	58.6
193.19577	1.3
195.13765	0.9
201.16399	40.2
206.42198	0.9
207.17497	2.7
209.19019	69.6
211.31859	1.0
217.15877	8.0
217.19456	1.3
219.17464	45.2
221.15329	1.4
235.16939	26.0
237.18619	2.0
279.16766	1.8
279.19574	15.1
295.19003	1.2
409.34610	1.8
427.35861	3.4
469.36667	3.4
487.37875	100.0
488.38101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.05501	6.2
57.07076	2.1
67.05506	12.4
69.07071	16.3
71.08658	1.8
71.24870	1.9
71.25218	2.5
79.05497	6.5
81.07050	22.9
83.08623	6.2
87.04459	5.3
91.05471	4.8
93.07044	19.3
95.04956	5.6
95.08611	60.7
97.06528	5.7
97.10149	5.6
99.08096	4.8
104.81132	1.7
105.06470	2.2
105.07053	18.6
107.08589	32.2
109.06499	2.5
109.10165	26.1
111.08083	3.5
111.11739	9.1
113.09579	2.3
113.17812	2.0
117.06995	2.8
118.96707	2.2
119.08585	30.2
121.10153	33.4
123.08053	5.6
123.11708	13.0
125.09637	2.1
131.08580	7.2
133.10141	25.3
135.08058	2.2
135.11699	36.9
137.09647	2.2
137.13297	3.2
145.10127	23.0
147.11708	4.8
149.09674	1.9
149.13304	8.3
159.11696	31.1
161.13242	10.7
163.11235	2.0
163.14729	2.1
173.13274	5.6
175.14847	15.8
177.16418	2.9
189.16380	7.1
191.17943	100.0
201.16379	33.9
209.19012	90.9
219.17427	41.3
237.18463	2.7
249.81784	1.9
273.76196	1.6
279.19522	20.1
337.40054	1.7
435.90155	1.8
487.37454	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01874	0.9
56.96575	0.9
57.03433	2.0
58.45176	0.5
61.02925	1.7
63.18262	0.5
64.34003	0.5
67.05509	4.2
69.03436	8.0
69.63139	2.6
70.06589	1.5
71.04989	1.5
73.02908	1.6
73.97506	0.6
76.27290	0.6
81.03423	2.6
81.07072	1.1
85.02433	1.1
85.02912	12.2
86.00656	0.9
87.04482	1.3
88.07639	0.9
91.03959	0.7
93.07030	0.9
95.08617	9.3
95.10725	0.7
97.02911	6.6
98.97598	2.0
99.04495	1.4
100.02245	0.7
105.07028	0.7
109.02897	2.0
109.10167	13.8
110.97545	0.7
119.08568	1.3
121.10168	0.9
123.04446	0.7
124.07578	0.7
126.03725	0.7
127.03935	3.4
128.98708	0.7
130.06534	0.6
130.08670	2.1
132.60977	0.6
138.03711	1.3
138.74174	0.5
139.03908	0.8
140.05327	0.6
145.04990	1.1
147.04503	0.9
147.11707	1.9
150.03775	1.2
152.05296	1.3
153.01846	2.1
154.03275	0.9
159.10429	0.5
159.11674	1.1
163.03908	0.6
164.05284	3.8
166.03291	1.0
166.06847	0.9
168.04791	2.8
176.05342	1.2
178.06863	4.4
180.04826	2.3
185.12053	0.6
186.12785	0.6
188.05310	1.8
190.06815	1.2
194.06329	0.6
194.10042	1.0
196.04326	2.0
196.16855	0.7
198.05972	0.7
198.12798	1.6
200.03767	1.3
201.41171	0.6
203.07515	3.0
204.08455	6.1
205.04916	0.7
206.10104	0.7
209.05046	1.1
210.05919	2.0
211.06670	1.7
212.03764	10.9
212.14362	1.4
213.15154	1.1
214.05357	3.4
216.08467	1.6
218.09967	1.2
220.11664	1.3
222.05843	0.7
223.06631	1.7
224.07430	4.8
225.08194	1.5
226.05377	9.1
231.10782	1.6
240.06973	2.2
246.13148	26.9
250.09029	4.7
251.09790	0.8
252.06908	7.6
258.17313	0.6
262.12723	1.2
264.11432	0.9
264.14203	7.2
265.11316	8.0
266.12167	2.6
268.10175	1.0
275.09814	1.7
280.13904	0.7
290.12219	6.3
308.13177	51.3
326.14258	23.9
470.18207	0.7
488.19525	100.0
489.19696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01863	3.7
55.05501	4.3
55.95109	2.2
57.03413	2.6
57.07052	2.1
65.03915	2.0
67.05491	7.2
69.03435	19.1
69.07063	2.8
69.61915	8.6
70.04074	3.3
71.04987	16.7
73.02908	1.8
78.94055	2.1
79.05480	6.9
81.03419	14.1
81.07047	17.0
83.04983	3.1
83.08586	2.8
85.02912	12.3
85.06541	3.3
87.04425	2.1
91.05486	18.0
93.07053	19.2
95.04958	6.6
95.08617	13.7
96.82443	2.0
97.02895	22.1
97.06573	2.8
99.04457	45.5
99.05098	2.5
103.05412	2.4
105.07035	100.0
107.08605	17.3
108.08924	2.1
109.02879	16.5
109.06551	9.3
109.10135	6.5
111.04413	2.4
111.08045	3.8
111.11716	2.3
115.05441	2.8
117.06998	5.4
119.08585	26.3
120.08934	2.2
121.06492	6.9
121.10124	7.0
123.08066	6.1
123.11694	4.7
127.03928	23.6
128.06248	3.6
129.06914	2.2
131.08557	10.2
133.06483	14.0
133.10132	94.4
134.10480	6.1
135.08031	4.6
135.11694	4.6
137.05966	5.5
137.09595	4.8
143.08563	10.2
145.05008	3.7
145.06500	2.3
145.10204	9.4
146.07231	3.7
147.08066	7.9
147.11658	3.1
149.09637	3.7
151.07562	15.7
151.11168	4.3
155.08615	2.2
157.10106	8.9
159.08081	4.1
159.11681	7.6
161.09621	94.2
163.11188	40.0
165.09081	9.7
169.10033	2.8
171.08047	2.6
171.11757	3.3
173.09628	5.5
173.13268	2.6
175.07588	2.4
175.11026	2.8
175.14807	8.0
176.15213	5.0
179.10677	41.2
183.11584	2.1
185.09651	3.7
189.09105	42.8
189.16394	3.0
191.10596	3.0
199.14841	3.2
203.10689	3.9
207.10168	35.3
216.51747	2.0
219.10083	2.2
225.11140	23.7
225.13031	2.1
227.14275	4.5
245.15311	3.0
249.11244	3.8
267.12170	5.9
269.11700	4.7
273.14850	4.4
287.12811	7.0
305.13708	6.7
308.13193	2.5
315.12256	7.7
323.14954	12.3
326.14798	4.9
333.13208	20.2
336.12067	2.8
341.15897	2.9
351.09949	2.6
351.14401	53.2
369.15430	8.4
435.20358	2.1
453.21521	2.5
488.19476	4.0
488.34116	11.2
489.73770	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	488.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.7
55.01883	3.8
55.05518	5.7
57.03434	6.1
57.07071	2.2
58.51815	2.5
67.05495	7.8
69.03436	19.5
69.07067	8.7
70.04089	16.8
70.55215	2.1
70.84119	3.1
70.84470	4.9
71.04992	11.0
73.02919	4.0
79.05495	14.9
81.03428	26.0
81.07065	29.1
82.07390	3.9
83.05003	3.9
85.02916	15.6
91.05488	32.0
93.07058	25.0
95.04982	7.2
95.08640	13.9
97.02895	16.7
97.06551	4.2
99.04461	19.6
99.08070	2.6
105.07040	83.4
106.59371	2.2
107.04939	5.3
107.08607	17.5
108.08887	3.0
109.02876	21.9
109.06535	19.3
109.10167	12.0
111.04430	3.8
111.08110	3.7
111.11686	2.2
111.35365	2.3
117.07036	7.0
119.08591	53.3
120.08937	3.8
121.06512	4.5
121.10152	5.1
123.04427	3.7
123.08089	8.2
123.11680	3.3
125.09641	3.3
127.03934	28.8
128.06232	2.5
130.07858	3.3
131.04947	2.7
131.08595	5.4
133.06522	9.3
133.10141	100.0
135.08109	3.1
135.11697	6.7
136.12019	2.9
137.05978	9.7
137.09624	15.7
139.11232	2.7
143.08556	12.5
145.05098	2.4
145.10144	9.7
146.99966	2.3
147.04373	3.7
147.08066	7.4
147.11676	4.8
149.09610	3.3
151.07591	15.4
151.11194	6.0
159.08076	2.9
159.11757	4.9
161.09641	91.9
161.13242	2.7
163.07590	4.9
163.11201	28.4
165.09120	31.9
171.08052	3.0
171.11613	4.6
174.09949	2.9
175.07610	2.8
175.11246	2.7
177.05534	2.4
179.10696	42.1
189.09120	45.9
199.11299	3.4
207.10179	60.1
225.11232	41.1
245.15421	3.1
251.12724	3.0
255.13878	2.8
267.12329	4.5
269.11697	4.7
273.14798	5.4
279.12488	3.1
302.78421	2.3
305.14011	8.2
305.28748	2.4
315.12299	6.2
323.14960	16.3
326.14508	9.6
333.13351	25.3
351.14410	75.3
369.15448	7.6
488.20340	3.5
488.34616	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	488.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.8
57.07059	5.5
62.24267	2.3
67.05510	14.2
69.07059	9.8
79.05488	8.7
81.07063	18.6
83.08645	4.3
85.06522	2.4
87.03819	2.2
91.05484	9.7
93.07070	16.6
93.07541	2.6
95.08612	27.0
96.18111	2.3
97.10159	2.2
98.20744	6.9
105.07038	18.4
107.08588	27.0
109.10151	15.7
111.08069	3.4
117.07006	5.9
119.08583	44.8
121.10161	17.8
123.11720	4.4
131.08586	13.5
133.10139	28.8
135.11681	9.4
137.13242	2.5
143.08556	5.2
144.09273	2.6
145.10149	19.4
147.11705	16.0
149.13216	14.5
157.10114	5.1
159.11688	9.9
161.13301	12.6
163.14821	23.5
169.10129	2.9
171.11661	3.0
173.11920	2.7
173.13268	10.3
173.56924	2.5
175.14822	22.2
177.16418	11.5
179.14293	2.4
183.11798	2.5
185.13326	2.4
187.14836	52.1
189.16391	59.1
197.13225	2.5
199.14825	3.5
201.16420	28.4
203.17996	8.8
205.15906	4.2
213.16394	5.8
215.17984	16.1
227.17961	11.3
229.07492	5.3
229.19447	7.7
239.18047	3.4
241.19601	4.0
247.08534	3.8
247.16953	7.8
249.18541	5.6
253.19373	2.9
261.18549	21.9
275.20160	3.7
299.19913	2.9
349.66168	3.2
377.32074	16.4
377.36279	3.1
395.33438	3.8
398.11209	3.9
423.32626	100.0
424.32700	6.9
435.32629	5.3
441.33640	51.3
442.33975	9.1
452.32458	2.9
453.33804	5.8
470.33801	3.6
471.34625	4.4
488.34476	9.6
489.35626	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33448	1.0
53.03957	1.4
55.01867	2.4
55.05508	2.6
56.96567	1.0
57.03445	2.1
59.04988	1.1
61.02924	1.8
64.83588	1.0
67.05518	5.0
67.05837	1.0
69.03436	5.7
69.07070	5.7
71.04982	1.4
71.54768	1.1
73.02923	7.8
79.05505	2.5
81.03436	1.9
81.07054	7.1
83.04993	1.3
83.08613	3.2
85.02905	10.4
85.06522	1.5
91.05486	2.7
93.07043	7.6
95.04989	1.7
95.08614	33.8
97.02880	4.9
97.06541	1.2
97.10170	1.8
98.97607	1.8
99.04472	1.0
99.08085	1.6
105.07040	4.5
107.08595	15.9
109.02881	2.4
109.06563	1.7
109.10136	6.5
111.04485	1.3
111.08091	1.6
115.03923	1.8
119.08605	4.4
121.06578	1.9
121.10146	26.9
123.08065	2.7
123.11718	14.7
125.06010	2.1
127.03941	2.9
131.08595	1.1
131.44647	1.0
133.05016	2.4
133.10126	3.7
135.11723	5.7
137.05998	3.8
137.09662	2.8
137.13327	1.1
138.09123	1.2
143.08627	1.3
145.04985	2.4
145.10123	2.5
147.04379	1.3
147.11703	2.5
149.13274	2.5
151.07562	2.4
151.11118	1.3
153.01967	1.2
157.10211	1.7
159.11766	1.2
161.06023	1.8
161.13318	2.1
162.05569	2.0
163.11180	1.0
165.09157	4.4
166.08611	1.6
167.07053	1.8
171.11800	1.5
174.55740	1.1
175.14824	2.4
177.16399	51.2
181.12277	2.4
187.07623	1.3
187.14763	1.5
191.18073	1.0
195.17445	2.4
197.13550	1.4
205.15874	2.0
207.17458	1.8
219.17488	2.4
279.10062	1.5
285.11136	1.1
291.19696	1.6
303.04803	1.4
303.19571	3.0
321.20673	3.5
327.12247	1.6
327.21664	1.4
335.09521	2.1
336.09793	1.7
337.10025	5.9
339.21808	2.9
357.18500	2.4
357.22882	3.7
457.49622	1.0
489.22504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44997	3.9
53.03933	8.5
55.01872	20.1
55.05519	29.8
57.03445	26.4
57.07076	8.2
59.05009	8.7
61.02917	9.3
67.05510	29.5
69.03436	85.2
69.07073	43.6
69.80424	23.3
71.04993	10.8
73.02920	12.1
79.05473	24.9
81.03421	25.5
81.07062	77.9
82.53963	3.6
83.04968	9.7
83.08619	20.2
85.02906	96.7
85.06550	19.0
86.09658	3.6
87.04477	35.7
91.05486	31.9
93.07038	36.8
95.04979	21.2
95.08606	100.0
97.02895	62.0
97.10164	15.1
99.04486	16.2
99.08099	80.3
100.95459	3.8
101.05975	4.8
105.07041	51.4
107.08610	64.1
109.02879	12.9
109.06546	11.7
109.10165	51.0
111.04469	5.8
111.08088	26.5
113.09650	6.3
114.27653	4.7
115.03940	49.6
117.07012	10.8
119.08591	59.0
121.06534	7.0
121.10145	50.0
121.48555	4.2
123.08092	13.6
123.11726	47.5
125.09644	7.8
127.03922	21.5
131.08571	20.1
133.04968	41.6
133.10144	51.5
135.08049	10.6
135.11707	36.5
137.05984	13.0
137.09627	21.4
137.13255	24.8
139.11194	6.6
141.06998	5.1
143.08583	14.0
145.04950	16.9
145.10126	27.6
147.08043	9.2
147.11673	21.7
149.09641	11.6
149.13284	20.3
155.08643	4.3
157.10135	14.2
159.08041	9.6
159.11710	26.7
161.09634	17.6
161.13283	17.0
163.11177	13.1
163.14821	26.0
165.09116	36.5
171.11671	8.5
173.09677	8.1
173.13275	16.2
175.11255	7.6
175.14877	38.8
177.09143	5.0
177.12820	9.0
177.16402	69.3
179.10661	6.0
179.17873	5.0
181.15967	6.2
183.11703	5.9
185.13269	7.8
187.14854	19.2
189.12697	6.0
189.16437	12.5
193.15955	8.4
195.17490	14.2
197.13284	10.2
199.11220	8.6
199.14885	7.5
201.16373	16.2
203.14400	7.4
205.12216	6.9
205.15906	7.0
211.14973	6.4
213.16420	4.6
217.12283	6.7
217.15900	9.9
219.17433	26.6
223.12949	4.5
231.17339	8.0
235.13306	4.6
235.16895	5.4
237.18575	9.2
243.17577	6.5
255.17477	11.5
261.18524	9.3
273.18542	38.2
279.19550	9.8
291.19479	49.3
303.19498	9.3
309.20584	49.5
327.12119	6.6
327.21716	39.6
339.21576	8.8
357.22708	25.6
433.61700	4.3
442.86203	4.7
453.24759	5.6
489.17865	7.9
489.26700	35.0
489.34354	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45105	0.3
53.03944	0.9
55.01877	0.4
55.05512	2.1
57.03421	0.7
57.07070	0.4
57.62030	0.3
59.05011	0.4
65.03931	0.4
67.05175	0.6
67.05510	7.7
69.03433	2.0
69.07079	2.2
71.04999	2.0
71.53451	0.4
79.05495	2.8
81.03416	1.3
81.06587	0.5
81.07068	8.8
83.04998	1.7
83.08616	1.1
85.02903	1.5
85.06549	2.6
91.05492	3.5
93.07053	5.4
95.04974	2.4
95.08615	15.5
97.02872	0.6
97.06542	1.5
97.10180	0.7
99.04466	1.5
99.08118	0.8
101.05962	0.3
103.05503	0.5
103.64448	0.3
105.07047	4.5
107.04955	0.9
107.08608	5.1
109.02878	0.6
109.06509	1.8
109.10170	14.9
111.04421	0.4
111.08082	1.0
111.11707	0.5
113.05991	1.6
113.09640	1.0
115.05445	0.5
117.07053	0.8
119.08588	6.5
119.09366	0.6
121.06525	1.0
121.10156	5.0
122.07331	1.6
123.04433	1.0
123.08082	2.8
123.11725	4.0
125.09682	2.1
127.03930	0.8
127.11232	1.0
128.06224	0.4
129.07005	0.9
129.09114	0.9
131.08565	2.1
133.10141	3.3
134.10524	0.4
135.08064	1.3
135.11761	2.1
137.06000	1.7
137.09628	13.9
137.13196	0.6
139.07552	0.7
139.11185	0.6
141.09100	3.2
143.08568	0.8
143.10689	0.9
145.06436	0.5
145.10114	2.4
147.04416	0.3
147.08057	1.0
147.11702	2.7
149.09636	4.4
149.13300	1.5
151.07555	3.0
151.11212	1.1
151.26479	0.3
153.09100	0.8
153.12733	0.5
155.08585	0.4
155.10674	1.3
157.08633	1.2
157.10146	1.0
159.08092	0.4
159.11708	2.1
161.05978	0.4
161.09636	1.2
161.13290	1.1
163.07518	0.7
163.11182	1.2
163.14861	1.1
165.09131	100.0
166.09462	0.6
167.07076	2.9
169.08661	0.7
169.10100	0.4
171.11690	1.1
173.06024	0.7
173.09645	0.8
173.11884	0.4
173.13298	1.2
175.07529	0.6
175.11198	1.3
175.14830	1.2
177.09145	1.4
177.12770	0.6
177.16428	0.6
178.04872	0.4
179.10696	0.5
181.04962	1.5
183.10149	0.4
183.11662	0.4
184.80536	0.3
185.13292	0.8
187.09642	2.5
187.11183	0.7
187.13261	0.6
187.14786	0.5
189.09213	0.5
189.12729	0.9
189.16458	0.9
191.10713	0.7
191.14430	0.5
193.08623	0.4
193.15863	0.5
195.13768	0.4
199.14926	0.5
201.11230	1.3
201.12839	0.5
201.16408	0.7
203.10666	3.1
203.14397	1.1
203.18008	0.7
205.08795	0.4
205.12253	5.8
207.17551	0.8
211.14943	0.5
215.14374	0.4
217.12273	0.3
219.17526	0.4
221.18982	0.8
229.12151	0.5
245.15410	0.7
249.18555	0.4
289.21637	0.6
291.23151	0.7
309.11279	0.3
317.21249	1.0
319.22751	0.7
325.23816	1.0
325.52872	0.3
327.12286	0.7
337.23691	1.1
365.19769	0.5
425.30530	0.7
443.31638	1.2
453.33853	0.7
471.30426	0.9
471.35422	0.5
489.17426	1.8
489.35089	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05510	15.7
57.07067	4.7
58.57913	1.8
58.95314	1.8
59.04984	2.5
67.05508	27.5
69.03442	4.3
69.07066	26.5
71.53929	3.5
79.05489	17.9
81.06591	2.8
81.07059	54.5
83.04996	3.6
83.08607	10.2
85.06564	2.0
91.05478	14.4
93.07053	23.6
95.08607	100.0
97.06529	5.2
97.10153	6.9
105.07036	23.5
107.08604	42.5
109.10164	50.2
111.11705	6.4
117.06989	3.3
119.08589	41.7
121.06474	3.2
121.10143	39.6
123.08114	2.7
123.11701	24.8
125.09616	2.3
125.13202	2.4
131.08604	10.6
133.10120	32.7
135.08084	3.4
135.11685	21.0
137.13278	9.9
145.10110	16.5
147.11682	21.3
149.06017	2.8
149.13261	15.2
157.10081	4.4
159.11703	23.1
161.09627	2.6
161.13258	17.9
163.07591	2.6
163.11221	2.9
163.14844	12.1
170.81223	2.2
171.11613	3.6
173.13216	13.8
175.11183	3.1
175.14853	8.7
177.12816	4.7
177.16383	9.2
179.17903	2.0
185.13249	5.1
187.14832	25.6
189.12762	2.5
189.16351	18.7
191.10699	4.6
191.17931	25.4
193.19470	3.5
193.61066	2.4
199.14850	2.4
203.17941	8.4
205.12241	21.7
205.15872	12.0
205.19498	2.4
207.13811	3.7
215.14133	2.5
217.15935	2.7
219.13800	4.9
223.13242	5.7
227.17897	2.4
231.17415	2.3
233.15356	40.8
235.16931	3.8
249.18427	3.1
251.16206	3.8
269.22723	3.0
280.99384	2.0
311.45712	2.2
315.23154	5.5
329.24854	5.1
333.24091	3.6
347.25739	11.0
379.33649	2.5
399.56293	2.1
407.33139	8.8
425.28925	2.9
425.34238	43.2
435.32327	5.9
443.35229	55.3
453.33954	11.1
471.34412	8.4
489.36163	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05505	10.6
60.20779	2.9
67.05511	52.6
69.07072	14.9
79.05511	21.2
80.94317	3.1
81.07058	26.6
83.08630	9.5
83.21740	2.8
88.51107	3.4
88.51665	3.3
91.05478	16.2
93.07050	27.1
95.08607	51.8
97.06530	6.6
97.10150	4.9
105.07038	18.8
107.08600	26.4
109.10152	32.6
117.06998	5.1
119.08613	24.0
119.09320	4.3
121.06490	3.7
121.10178	23.2
122.45051	3.3
123.08073	31.4
123.11720	7.7
125.09622	6.5
129.07062	3.4
131.08578	9.9
133.10120	14.6
135.08054	7.0
135.11691	16.2
137.09537	3.0
145.10123	12.9
147.11691	18.1
149.13260	5.9
151.70026	3.0
157.10126	3.8
159.11772	15.1
161.09557	3.8
161.13260	9.3
163.14990	3.3
173.11868	4.6
173.13260	11.8
175.11250	3.6
175.14828	6.6
187.14653	5.3
191.17874	4.5
198.34750	3.3
199.14919	4.8
201.16388	13.0
219.17455	100.0
271.20496	6.1
314.69794	3.8
358.86761	2.9
379.30154	4.2
396.83444	3.4
397.30984	7.1
407.33078	4.4
425.34009	9.9
435.32797	3.8
453.33603	18.3
471.35083	17.9
489.36264	82.1
490.35825	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	bayogenin
Peak:m/z	Relative Intensity
53.03944	3.6
55.05504	16.9
57.03419	2.5
57.07075	4.2
59.04982	2.6
64.34282	2.3
67.05506	31.2
69.07079	18.9
70.11318	3.5
70.11670	11.0
71.04983	3.1
79.05498	22.1
81.07056	49.8
83.04991	3.6
83.08617	11.0
83.82169	3.0
85.06520	2.4
91.05484	19.1
93.07051	34.0
95.04961	7.8
95.08604	53.8
97.06528	5.9
97.10175	6.2
105.07037	36.8
107.08601	40.2
109.06540	7.2
109.10153	37.4
109.10834	3.5
111.08094	4.3
111.11762	3.3
117.07020	6.5
119.08593	69.0
121.06602	2.9
121.10146	29.7
123.08092	8.3
123.11762	17.6
129.07007	3.3
131.08569	20.4
133.10124	49.1
135.11705	26.4
137.09651	4.5
137.13271	5.2
139.07564	3.0
143.08574	10.9
145.10129	22.8
147.11693	31.1
149.09619	5.4
149.13290	12.4
153.09094	6.2
155.08438	2.4
157.10182	6.6
159.11716	15.6
161.13228	13.0
163.11255	3.3
163.14798	12.7
165.12784	3.3
167.10707	4.7
169.10103	3.0
171.11740	9.5
173.09637	4.3
173.11867	4.5
173.13304	13.1
175.11372	3.3
175.13293	5.3
175.14824	72.0
175.35458	2.1
177.16365	28.5
179.10760	4.5
181.12218	3.4
183.11737	4.0
185.13335	11.5
187.14821	29.1
189.12749	3.4
189.16338	21.1
191.18022	12.5
193.12296	5.4
195.13873	5.2
199.14867	9.2
201.16368	27.7
203.14319	84.7
203.16200	5.0
203.18042	8.4
205.15868	13.8
207.17453	6.0
209.19037	7.5
213.16443	9.3
215.18040	5.4
217.16022	4.1
219.17482	4.4
221.15448	11.3
221.19034	6.9
223.16960	6.5
227.18004	5.7
228.36728	3.0
229.19632	6.9
231.17343	5.8
237.18571	3.9
239.17744	2.3
241.19592	6.4
247.16985	11.4
249.14865	17.4
249.18520	8.5
251.85106	2.7
253.19550	3.0
255.17540	4.2
255.21175	13.4
257.19165	2.8
261.18640	4.8
269.19083	3.9
269.22659	7.5
283.20834	2.9
289.21719	3.4
301.21594	3.2
311.23752	3.0
379.29953	3.7
383.25638	4.9
389.31955	3.3
398.68558	2.6
407.33151	23.4
414.31937	2.6
425.34183	54.1
435.32626	6.5
443.35199	91.8
453.33636	44.2
471.34714	65.6
472.35526	3.1
489.35834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05500	8.3
57.07064	3.8
67.05495	18.6
69.07051	14.2
69.48734	10.8
69.49139	8.9
79.05507	16.2
81.07059	43.3
83.08603	6.0
85.06544	3.9
91.05466	13.2
93.07031	29.3
95.04980	5.2
95.08604	58.1
97.06512	6.0
97.10142	3.2
99.08100	7.1
100.29304	2.8
105.07038	28.9
107.08604	43.5
108.67542	3.0
109.06491	9.6
109.10136	37.5
117.07034	6.3
119.08578	35.5
121.06483	3.9
121.10162	36.7
123.08047	6.3
123.11747	15.0
131.08591	15.7
133.10115	34.0
135.08015	4.9
135.11711	30.7
137.09602	5.2
137.13287	7.6
143.08568	10.4
145.10110	25.2
147.11664	22.9
149.13234	22.6
157.10112	16.2
159.11694	20.4
161.09467	3.3
161.13264	16.4
163.14862	18.3
165.12733	4.3
169.10098	6.3
171.11699	10.5
173.09625	3.5
173.13226	15.5
175.11111	5.5
175.14844	25.5
177.12787	3.7
177.16348	20.1
179.14314	5.8
183.11644	3.4
185.13272	11.5
187.14789	32.8
189.12779	3.5
189.16350	13.2
191.14276	7.1
197.13133	5.5
199.14827	7.7
201.16399	17.4
203.14285	12.6
203.18030	6.6
205.15884	12.5
207.17355	6.5
213.16438	12.4
215.17955	10.0
217.12262	3.1
225.16386	6.2
227.17967	7.9
227.64996	3.1
229.19557	4.9
231.17365	6.3
239.17931	7.4
240.21872	3.0
241.19505	9.1
243.21196	4.4
244.36407	3.5
245.18767	3.2
249.18530	20.0
253.19551	7.9
255.21019	5.8
269.19275	3.3
377.32089	3.2
379.33160	3.8
383.29373	8.4
389.31989	8.8
395.33011	3.8
397.34750	5.1
407.33115	30.8
425.29105	4.2
425.34222	74.0
426.34518	4.3
435.32562	7.1
443.35233	100.0
453.33926	41.0
471.35034	57.5
489.35706	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	489.3577
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
53.03936	2.0
55.05510	12.2
57.03441	2.3
57.07074	3.0
67.05505	45.8
69.03428	3.0
69.07068	16.7
70.09318	6.2
71.04968	2.5
79.05489	24.7
81.07055	34.4
83.04958	2.9
83.08622	6.6
85.06522	2.3
91.05474	18.3
93.07041	32.7
95.04984	4.9
95.08602	29.9
95.09164	2.1
97.06538	3.6
97.10188	3.3
98.21436	2.2
99.08123	1.6
105.07023	23.6
107.08588	39.0
109.06538	3.7
109.10155	30.3
111.08073	2.3
112.56702	2.0
117.07042	6.5
119.08588	27.3
121.10136	23.1
123.08090	6.4
123.11699	8.8
125.09648	2.2
129.07040	3.0
131.08594	15.3
133.10123	18.7
135.08076	3.2
135.11699	22.0
137.05972	50.1
137.09579	1.9
137.13280	4.0
139.11206	2.5
143.08600	5.3
145.09030	2.9
145.10103	19.9
147.08057	2.1
147.11699	13.1
149.09583	2.1
149.13304	6.1
153.05539	1.9
155.08652	2.2
156.09343	1.7
157.10213	7.3
159.08107	1.9
159.11690	14.8
161.13264	16.6
163.14818	100.0
164.15228	2.5
165.31526	1.8
169.10106	3.1
171.11752	7.4
173.11789	4.2
173.13324	9.0
175.11292	1.6
175.14897	5.0
177.16447	3.3
183.11679	3.7
185.13304	6.1
187.13429	2.1
187.14775	10.1
189.16476	6.6
197.13348	4.2
199.14859	2.1
201.12857	2.4
201.16467	4.9
203.18080	2.2
205.15916	3.9
207.17484	4.0
211.14951	2.8
213.16554	3.8
219.17551	3.8
221.15489	1.8
227.17928	2.4
229.16032	2.2
241.19708	2.3
243.21153	2.1
245.19070	2.6
255.17477	3.0
261.22269	2.1
271.20758	3.1
273.18619	6.0
285.22327	2.1
291.19708	3.7
309.20584	17.6
343.03391	1.8
379.29965	3.4
397.31244	5.9
415.31949	2.3
423.85431	2.2
425.34293	7.8
435.32715	9.9
443.35657	7.0
453.33603	20.9
471.34732	53.5
472.34985	2.9
489.35953	76.8
490.36142	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28581	2.2
51.02374	2.7
52.54486	2.1
53.03921	3.0
55.01869	5.1
55.05517	25.6
57.03433	5.4
57.07067	6.4
60.51506	2.3
64.93761	2.2
65.03915	2.4
66.87746	2.1
67.05507	63.3
69.03458	2.2
69.06727	3.8
69.07069	50.0
70.96141	5.2
71.04969	8.8
78.19064	2.3
79.05492	36.8
81.03406	2.8
81.06584	5.0
81.07059	100.0
83.04965	6.3
83.08602	14.6
85.06526	9.0
91.05474	20.2
93.06479	3.6
93.07050	59.6
95.04974	6.0
95.08611	86.4
97.06535	16.7
97.10165	15.6
105.07027	25.7
107.08601	44.2
109.06501	5.1
109.10158	53.2
111.08078	6.2
111.11700	7.2
114.10340	2.2
117.06992	4.4
119.08596	25.8
121.06541	4.1
121.10153	48.0
123.08059	6.9
123.11698	21.2
125.09584	3.3
129.57892	2.1
131.08551	14.4
133.10130	24.6
134.30574	2.3
135.08012	6.6
135.11713	27.8
137.09633	7.2
137.13217	13.4
138.02708	2.3
139.11185	27.7
143.08546	3.5
145.10118	19.3
147.11682	22.3
149.09616	6.2
149.13297	17.8
150.46381	2.1
151.11095	4.1
151.14850	2.2
153.12669	2.6
154.60619	2.3
157.10071	3.4
157.12228	6.2
159.11693	15.0
161.09604	2.2
161.13232	14.8
163.11259	2.5
163.14874	12.7
163.16034	3.1
165.12761	4.3
171.11707	4.5
173.11903	2.7
173.13249	14.3
175.14813	9.7
177.12688	3.7
177.16412	8.0
179.14348	5.0
181.12326	2.9
185.13228	5.6
186.82530	2.3
187.14851	12.7
189.16397	8.5
191.14299	3.6
195.13850	3.3
199.14798	2.8
201.16374	3.5
203.14375	3.4
203.17918	5.2
205.15877	5.5
213.16353	6.8
215.18074	5.5
217.15924	2.3
219.17314	2.5
221.15346	3.0
227.17842	3.7
231.17389	3.5
241.19518	5.1
243.21027	8.6
261.18637	2.1
261.19162	2.6
261.22147	30.3
279.23212	85.4
297.24240	37.9
300.10675	2.7
399.32556	16.2
407.33084	4.4
417.33664	48.0
425.34317	20.8
435.34805	41.8
443.35583	11.5
453.35779	25.2
471.35367	15.0
489.35114	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	490.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.2
59.82592	2.0
59.91491	1.8
65.04944	2.0
67.05510	19.0
68.09042	2.0
69.07082	12.4
71.54126	3.4
71.57275	2.0
74.32545	1.9
76.44314	2.0
79.05501	6.1
81.07060	30.5
83.08616	7.5
91.05476	4.7
93.07044	15.0
95.08614	100.0
97.10191	3.3
100.14953	2.1
105.07047	10.4
107.08601	23.3
109.06532	2.7
109.10167	21.4
110.53390	1.8
111.08094	3.0
119.08580	17.2
120.08929	2.3
121.10168	22.0
123.08064	5.0
123.11713	16.8
131.08549	5.6
131.78751	2.2
131.79846	2.3
133.10136	16.5
135.08089	4.2
135.11685	20.6
137.13274	10.7
145.10152	8.6
147.11700	9.0
149.09712	3.3
149.13274	15.4
150.12657	2.0
151.14781	10.2
157.10133	2.9
159.11690	6.5
161.13232	10.0
163.11133	2.6
163.14798	5.2
171.11662	4.7
173.13257	6.9
175.11131	2.2
175.14819	7.7
177.16406	6.0
179.14313	3.4
185.13188	2.2
187.14833	8.3
189.16409	10.8
191.17926	5.7
193.15857	3.5
199.14818	2.5
201.16350	4.6
207.17447	5.2
213.16312	2.8
215.17867	3.4
217.19417	3.5
219.17496	5.5
237.18469	3.8
241.19563	5.1
255.21068	2.2
257.18979	2.8
259.20657	11.6
261.22031	3.0
271.20554	4.9
273.22345	2.4
277.21683	8.3
285.22086	3.6
293.21152	2.6
367.33636	3.9
391.33521	2.9
409.34811	14.6
427.35770	28.9
437.34216	10.2
445.36838	70.5
455.35153	16.6
473.36282	14.0
490.29272	2.2
490.37512	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	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01874	17.1
55.05520	32.1
56.96564	3.0
57.03439	6.4
57.07067	2.3
59.04983	4.2
65.03931	2.1
67.05180	1.9
67.05511	30.5
69.03417	3.5
69.07076	8.7
69.42336	9.1
71.01353	3.5
71.04978	5.5
79.05497	42.7
81.03421	21.3
81.07063	33.2
83.00915	1.9
83.01344	11.6
83.04987	21.2
83.08621	17.6
85.02905	8.8
85.06550	1.7
90.48125	1.4
91.05490	30.6
93.06479	2.6
93.07054	50.9
95.04984	14.5
95.08617	27.0
97.02894	6.4
97.06538	8.5
97.10150	2.9
98.20792	3.4
98.97591	4.9
99.04455	3.4
99.08126	1.6
103.05461	1.8
105.07041	22.6
107.04968	16.1
107.08606	26.6
109.06525	12.2
109.10166	7.7
110.97579	1.6
111.04418	5.2
111.08076	4.4
111.11759	1.6
113.06044	2.0
115.05400	1.7
116.98595	1.8
117.07052	16.0
119.08584	18.8
121.06492	8.9
121.10160	17.3
123.04413	2.3
123.08054	13.4
123.11712	1.6
125.06021	2.3
125.09650	3.2
129.06995	4.6
130.07777	3.1
131.08574	7.6
133.10159	7.1
135.08032	3.7
135.11700	21.8
137.09619	3.3
139.03929	4.4
139.07607	2.0
143.08527	2.6
145.06483	1.9
145.10135	29.2
147.08051	5.5
147.11684	5.9
149.09628	2.8
149.13309	1.7
153.12762	9.9
155.08519	2.4
161.13219	2.0
163.11198	57.1
163.12555	3.3
171.11732	1.4
173.09581	7.1
173.13216	1.3
181.12244	8.6
191.10666	7.8
209.11743	18.3
219.01753	8.5
227.12778	12.0
237.02777	4.9
261.02756	3.4
279.03778	8.7
281.10733	2.7
281.17633	1.9
321.04926	4.1
385.23627	1.9
419.13730	3.6
423.08319	3.6
454.93317	1.5
459.27444	4.3
491.26352	100.0
492.26767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01863	12.8
55.05516	60.7
57.03438	10.3
59.05000	4.9
65.03960	3.1
67.05173	3.4
67.05513	50.4
67.68822	1.8
69.03428	6.3
69.07072	20.3
71.05005	14.6
71.54079	3.2
74.73057	1.8
75.73676	1.7
79.05498	63.1
81.03423	13.9
81.07066	55.8
83.05003	10.5
83.08632	29.9
85.02908	4.5
85.05994	1.6
85.06546	8.1
91.05492	39.4
93.07048	56.8
95.04982	23.5
95.08611	24.8
97.02898	2.0
97.06541	7.9
97.10181	51.5
99.04416	2.0
103.05479	3.3
105.07043	27.9
107.04964	54.2
107.08605	33.6
109.02876	6.0
109.06516	24.6
109.10167	18.9
110.97494	1.9
111.04476	4.3
111.08076	6.2
115.05446	4.8
117.07027	19.1
119.04921	3.1
119.08588	19.8
121.06518	32.3
121.10146	28.7
123.08088	8.8
123.11702	6.6
125.06000	3.0
125.09640	39.2
128.06223	4.4
129.06989	13.0
131.04944	5.7
131.08578	24.6
133.06516	7.7
133.10152	12.0
135.08072	15.2
135.11682	8.5
137.05968	3.3
137.09615	7.1
139.11214	3.5
141.07025	6.0
142.07765	4.1
143.08566	9.2
143.10703	3.0
145.06490	16.5
145.10138	18.8
147.08054	9.9
147.11681	9.0
149.06001	2.4
149.09624	9.0
149.13225	2.2
153.09082	5.1
153.12724	2.5
155.08604	7.0
157.06691	2.4
157.10172	7.4
159.08089	6.7
159.11690	6.0
161.05933	3.3
161.09619	6.8
163.11194	12.8
165.09140	21.5
167.07091	3.1
167.08559	3.2
167.10677	7.0
169.10091	3.3
171.08105	4.8
171.10260	2.7
171.11678	5.7
173.09650	6.3
173.13255	11.1
175.07567	4.1
175.11237	3.8
185.13261	5.0
187.11136	3.3
187.14868	4.1
189.09201	3.8
189.11243	28.0
189.12726	2.8
191.10641	5.2
191.14268	10.7
193.12260	4.9
195.11781	4.5
197.13301	4.9
199.11363	2.5
199.13306	6.3
201.12764	3.5
201.26399	2.3
203.10809	2.4
205.12343	2.1
209.11815	6.4
211.11258	2.3
219.13821	44.0
227.12643	14.2
233.15436	3.5
245.11829	3.6
249.14919	6.8
257.15402	3.4
258.17331	1.9
259.57236	2.0
263.12805	2.6
272.06485	2.3
273.14871	7.2
275.16476	7.4
277.17862	2.2
299.16510	2.5
313.27090	2.0
314.27179	2.1
331.62582	2.0
335.19925	2.3
339.23087	4.7
344.97067	2.4
349.21637	8.3
353.21170	3.6
357.24350	6.6
367.22739	29.2
371.22061	3.7
385.23807	37.2
389.23096	4.2
403.24747	6.6
419.78400	2.3
441.26385	7.9
445.26251	11.0
459.27444	100.0
463.26837	6.1
473.25256	6.8
491.26096	40.3
491.30194	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03950	13.4
55.01874	8.1
55.05513	33.7
57.03440	19.5
59.04989	4.1
65.03931	4.7
66.86528	2.6
67.05503	77.9
69.07074	18.1
71.04997	6.8
77.03890	3.8
77.62670	2.5
79.05491	100.0
81.03416	80.7
81.07059	70.9
83.04965	20.0
83.08614	29.7
85.02885	16.4
85.06540	3.8
86.69744	2.3
91.05484	98.2
93.07044	67.5
94.75253	2.4
95.04968	40.0
95.08602	32.0
97.02909	3.8
97.06524	9.5
97.10156	15.0
99.06437	2.4
99.08141	3.4
105.04558	2.7
105.07030	59.9
107.04985	14.1
107.08594	27.3
109.06519	10.5
109.10154	11.7
111.08074	10.6
115.05486	2.9
117.07011	16.0
119.04941	5.1
119.08571	42.0
121.06496	7.5
121.10118	14.4
123.08081	9.8
123.11734	12.6
125.09658	6.5
128.06235	5.1
129.06995	32.2
131.08563	16.8
133.06502	7.5
133.10135	25.8
135.08035	3.5
141.07007	3.2
142.24571	2.6
143.08603	12.5
145.06509	3.6
145.10126	11.3
147.08067	7.1
147.11699	46.2
149.09651	5.9
149.13144	3.0
155.08522	4.4
157.10162	12.3
161.09657	8.5
161.13261	14.4
163.11168	3.2
165.09128	2.7
165.12784	3.4
168.89986	2.7
171.11658	27.8
175.11197	8.3
175.47299	2.7
187.13280	5.7
188.45747	3.2
189.11295	3.1
189.12811	14.2
190.13765	2.6
193.12238	33.7
207.13802	29.6
211.13271	27.9
227.12694	5.3
231.13779	3.8
234.18134	2.6
243.15979	5.0
249.14838	8.4
267.13245	4.9
267.15863	35.9
277.18124	2.9
281.17462	32.0
305.17499	5.5
329.41388	3.3
331.21671	2.6
363.22995	4.5
381.24164	8.1
399.25256	5.4
411.63718	2.6
455.27994	4.8
473.28961	98.0
491.30164	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01853	0.4
55.05507	1.4
57.03426	0.3
57.07076	0.4
59.05008	0.2
64.60055	0.2
65.03921	0.2
65.07286	0.2
67.05505	4.7
69.03422	0.3
69.07053	0.7
70.18208	0.7
71.04972	0.7
79.05503	2.1
81.03410	0.2
81.07059	4.7
83.04977	1.0
83.08614	0.6
85.06519	0.4
91.05477	1.5
93.07045	2.5
95.04988	1.0
95.08054	0.3
95.08615	3.4
97.06521	0.5
97.10172	0.6
98.97591	0.2
103.05494	0.4
105.07043	1.0
107.04951	2.0
107.08593	1.3
109.06521	0.9
109.10162	6.1
111.08123	0.2
117.07022	0.6
119.08587	3.4
121.06504	1.3
121.10145	1.2
122.07298	1.6
123.08065	0.8
123.11717	6.7
125.09628	0.5
127.11165	0.2
129.07030	0.3
131.08591	0.9
133.06450	0.3
133.10144	0.4
135.08058	0.4
135.11694	0.5
137.05928	0.2
137.09622	11.7
139.07559	0.5
141.07001	0.3
143.08551	0.3
145.06512	0.5
145.10114	0.5
147.08034	0.5
147.11751	0.3
149.09641	0.5
149.13258	0.5
155.10658	0.5
158.99609	0.2
159.08058	0.3
159.11700	0.4
161.09517	0.2
163.11218	0.6
165.09117	100.0
166.09448	0.5
167.10696	0.3
171.11749	0.3
173.11775	0.4
173.13199	0.3
175.11066	0.2
183.10191	0.9
183.11673	0.2
187.11208	0.2
189.12723	0.3
191.10565	0.3
193.12178	0.2
201.11264	1.2
201.16197	0.2
203.14371	0.2
205.12236	0.4
209.19067	0.3
219.13777	0.6
237.02859	0.2
272.06622	0.5
273.14774	0.3
275.16437	0.4
293.24701	0.7
311.24115	0.2
321.24393	0.4
339.25455	1.5
349.21732	0.3
367.22601	1.2
385.23776	1.2
427.31848	0.3
441.26135	0.3
455.31375	0.2
459.27460	3.7
473.32574	0.2
491.30411	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	491.3733
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
50.93454	3.0
55.05500	7.1
67.05494	11.7
69.07050	6.4
69.22713	31.7
72.57902	3.0
73.32654	3.3
79.05482	10.4
81.06586	3.0
81.07037	18.9
83.08591	3.9
91.05470	12.5
93.07071	16.2
95.04963	4.6
95.08604	39.2
105.07032	15.6
107.08597	22.4
109.10134	18.1
114.12892	3.2
117.07009	4.0
119.08581	15.6
121.10149	16.9
123.08061	44.8
123.11656	6.2
125.09617	6.3
131.08484	5.8
133.10109	15.2
135.08043	8.9
135.11714	7.2
137.09608	3.8
145.10077	7.2
147.11662	20.3
149.09619	5.2
149.13245	6.1
159.11679	14.6
161.13243	6.7
163.11081	5.7
173.13240	13.1
175.14821	5.7
185.13206	4.3
189.12837	3.8
189.16364	4.0
201.16333	19.1
219.17438	100.0
258.10382	4.0
381.31735	23.1
399.32642	4.0
419.33276	7.7
437.34244	16.0
455.35379	20.4
473.35959	4.7
491.30759	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	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06682	6.5
53.03922	7.3
55.05516	38.5
56.37513	7.1
56.75856	7.9
57.07076	18.9
67.05512	58.9
69.03434	9.9
69.07061	40.0
71.04979	35.7
79.05505	40.3
80.97596	6.3
81.07059	94.9
83.04960	9.5
83.08614	20.8
85.06541	18.9
91.05479	31.3
92.30090	7.4
93.07040	90.6
95.08604	82.1
97.06512	11.5
97.10184	18.3
99.08072	10.8
105.07043	63.3
107.08596	100.0
109.06531	9.5
109.10152	76.4
119.08567	68.0
121.10133	60.0
123.07980	8.8
123.11707	28.3
125.09626	39.0
127.11171	15.4
131.08585	22.9
133.10114	37.4
135.11670	48.5
137.13249	8.6
143.08546	8.8
143.10692	41.0
145.10132	27.7
147.11693	33.6
149.13261	31.9
157.10118	10.6
159.10236	8.6
159.11700	32.8
161.13292	20.4
171.11804	8.1
173.13255	14.4
173.42184	6.5
173.54723	7.8
175.14799	16.8
177.16444	8.9
185.13213	9.6
187.14827	18.7
189.16417	22.0
191.17966	19.9
201.16351	10.2
215.17989	17.7
229.09894	12.2
251.04669	23.2
295.68347	9.1
307.11081	18.5
363.17181	20.4
419.23804	11.0
492.29968	20.2
492.36026	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	493.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01857	0.5
55.05510	2.3
55.41811	0.4
56.96566	3.0
64.84840	0.4
65.02296	0.4
67.05513	2.5
69.03423	1.4
69.07077	2.6
71.53540	0.6
79.05516	2.3
80.61446	0.4
81.07067	3.3
83.08600	1.5
84.96030	0.5
85.02890	1.4
91.05484	2.1
93.07043	6.4
95.05006	0.6
95.08614	10.4
97.02901	0.6
97.10191	0.9
98.97587	25.0
99.04485	0.6
103.05460	0.8
105.07017	3.6
107.08596	12.5
109.02868	0.6
109.06498	0.5
109.10178	3.2
110.97572	6.9
116.98634	4.9
119.08598	0.9
121.10149	20.8
123.04424	0.9
123.11699	1.0
123.47793	0.4
127.03895	0.8
128.98607	5.9
130.06464	0.5
131.04924	0.6
133.10223	0.6
134.99594	1.0
135.11707	3.6
136.92155	2.6
137.05975	1.3
140.00189	0.7
140.98546	1.1
143.00177	1.2
146.99649	1.8
147.04420	0.7
149.13225	0.9
153.01843	0.7
154.93245	4.2
158.98318	0.6
158.99670	12.2
161.05991	0.5
163.03822	0.7
167.07062	1.2
170.99634	3.6
172.94258	4.6
177.00671	5.0
177.16350	2.0
181.04874	0.9
182.99637	0.8
184.14455	0.5
189.00749	2.6
190.95314	1.0
191.14325	0.6
196.94286	3.6
201.00748	1.1
203.08121	0.7
208.94286	1.2
214.95341	9.2
215.09465	0.6
219.01682	2.3
224.07060	1.2
226.95288	3.3
232.96298	2.4
236.07050	0.6
237.02686	1.0
238.95309	1.4
240.96786	0.7
244.96411	5.6
252.06551	1.7
256.96396	7.8
258.97949	1.3
262.97559	0.9
264.06467	0.8
274.97446	18.7
278.08194	1.1
292.98389	1.2
297.99033	1.1
298.08908	1.1
298.12375	0.6
298.97415	1.2
301.14926	0.5
311.32883	0.5
315.13364	0.7
316.14154	0.8
316.98517	18.2
317.14355	0.9
318.14856	1.0
323.07220	0.6
324.08560	0.7
331.09134	1.0
331.12875	0.6
334.99570	17.4
341.11282	3.3
349.10056	0.8
358.01047	1.4
413.18896	1.0
457.09082	0.7
458.12054	0.7
475.09964	1.1
493.14023	100.0
494.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
68.99772	1.3
69.21285	0.7
69.74625	3.4
85.02902	0.9
91.05495	0.9
97.02915	0.8
101.36726	0.6
106.37154	0.5
110.25314	0.6
115.05508	0.7
119.04974	1.8
123.00814	0.8
123.04436	14.1
130.06534	18.2
137.06009	1.9
141.01851	1.7
144.08109	0.9
145.30086	0.6
147.04419	3.7
149.05963	0.8
151.03940	1.0
152.63795	0.7
154.06508	3.4
156.08118	1.3
157.07635	12.5
158.08377	0.7
161.09595	0.7
163.03957	1.3
165.05466	1.0
167.07281	0.9
168.08095	5.2
169.07645	1.8
170.09703	1.2
172.07607	0.6
174.05522	3.1
180.08125	2.3
182.06036	9.8
184.07607	3.4
192.08040	1.4
196.07582	13.2
200.07072	1.2
202.05017	3.7
203.08163	28.7
204.08305	0.9
206.06488	0.7
206.09633	0.8
208.07545	3.6
210.05489	14.9
210.09195	1.3
212.07320	0.7
214.08672	1.5
220.07545	1.1
222.09247	1.1
224.07068	30.6
226.08635	1.1
228.06551	1.2
232.07607	0.8
234.05495	0.7
234.09097	3.0
236.07072	16.1
237.07739	1.1
238.08670	2.8
240.06601	0.8
249.07883	0.6
249.10255	0.9
250.08607	4.7
252.06570	42.9
254.08234	4.8
260.07053	1.5
262.05093	1.2
262.08615	2.9
264.06570	17.7
265.07358	6.0
266.08057	3.9
268.09711	2.3
276.06540	5.5
277.09723	1.1
278.08133	42.8
279.08743	0.9
280.06113	2.3
280.09756	2.2
282.07657	3.6
288.06552	1.2
289.07404	1.1
290.08127	1.4
294.07672	2.4
295.10757	10.4
296.09207	1.4
306.07639	5.9
324.08685	19.5
331.12772	1.3
336.08670	2.4
341.11334	100.0
342.11844	1.1
353.11316	1.5
398.10211	10.3
412.11664	3.7
416.11325	9.4
417.14716	0.8
428.30478	0.6
430.12885	3.6
458.12341	15.0
475.14957	9.5
476.13455	18.7
493.16049	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	493.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91759	1.2
53.03946	4.2
53.76247	1.3
55.01881	10.5
55.05267	1.9
55.05518	30.2
57.03439	9.5
57.07070	1.4
59.05002	2.3
65.03947	3.3
65.60679	1.3
67.05511	50.7
67.05875	2.5
67.93224	1.1
69.03429	5.2
69.07087	9.6
69.33353	1.1
69.58585	7.9
70.32613	1.1
71.05005	7.0
79.05499	39.4
81.03426	59.1
81.07062	36.7
83.01346	3.6
83.04990	21.9
83.08624	28.3
85.02917	14.7
85.06552	4.4
91.05492	32.9
93.03452	1.4
93.07053	32.0
95.04977	30.8
95.08607	17.0
97.02902	4.0
97.06560	8.2
97.10175	14.7
99.04473	1.9
99.08091	1.6
105.07038	27.3
107.04969	21.4
107.08597	19.6
109.06528	8.6
109.10159	18.2
111.04445	14.3
111.08080	11.3
115.05495	2.9
115.84317	1.4
117.05426	1.4
117.07023	11.0
119.08591	24.0
121.02876	10.9
121.06470	7.4
121.10159	11.5
123.04433	2.8
123.08086	7.2
123.11745	1.9
125.06002	2.9
125.09624	11.2
128.06181	1.5
129.07030	11.5
130.07768	1.8
131.04915	2.2
131.08591	13.5
133.06502	4.6
133.10143	8.9
135.04431	6.0
135.08086	5.0
135.11713	11.3
137.05986	2.3
137.09612	3.6
139.11172	1.8
140.70778	1.3
141.07027	3.3
142.07826	3.4
143.08531	3.3
145.06520	3.3
145.10155	11.2
147.04358	2.1
147.08067	5.8
147.11728	9.7
149.05992	1.6
149.09671	7.1
151.11223	2.3
153.09160	2.9
153.12782	9.3
155.08568	2.9
155.10722	2.6
157.10118	9.4
159.11757	2.0
161.09685	2.4
163.11203	19.7
165.09172	3.6
165.12729	1.5
171.10178	2.6
171.11716	1.9
173.09659	4.2
173.11780	3.7
173.13246	2.4
175.11221	10.5
181.12263	6.0
183.11754	2.1
184.41269	1.3
187.11276	1.7
189.11288	6.7
191.10626	6.4
193.12260	36.6
201.12808	3.2
205.12431	1.6
209.11743	11.8
211.11340	1.7
211.13307	38.3
211.15297	2.5
219.13795	3.8
223.13188	1.5
227.12820	16.7
229.12376	2.8
229.14401	7.7
231.13881	2.3
247.13336	25.2
249.14914	6.5
264.11823	1.3
265.14337	2.6
267.15942	18.4
283.15405	13.9
321.16934	4.5
337.22000	1.8
355.22659	3.1
365.21164	3.0
373.23657	1.7
383.22272	6.3
401.23206	8.0
432.74567	1.4
457.26257	2.4
475.27011	42.1
493.28015	100.0
494.28580	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	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03937	3.9
55.01867	9.2
55.05514	24.4
57.03440	9.6
57.07057	1.4
59.04992	2.6
62.88264	0.8
63.52746	0.8
65.03932	1.5
67.05506	24.1
67.27470	1.0
69.03418	3.2
69.07063	6.9
70.79616	2.7
71.01358	1.5
71.04992	6.5
74.59040	0.8
79.05495	34.5
81.03419	54.5
81.07059	32.4
83.01341	6.9
83.04983	17.4
83.08621	20.7
85.02428	1.7
85.02908	26.0
85.06548	2.6
91.05482	29.3
93.07049	29.6
93.07632	1.9
95.04972	20.6
95.08608	11.8
97.02898	3.4
97.06513	5.9
97.10176	3.7
99.04511	1.3
99.54570	1.0
105.04525	1.7
105.07036	25.0
107.04961	10.1
107.08594	14.6
109.06503	8.5
109.10157	2.9
111.04453	4.6
111.08100	8.7
113.06026	2.8
114.37351	1.0
115.05510	1.2
115.60704	0.9
117.07022	8.6
119.08586	15.2
121.06524	4.0
121.10134	12.2
123.08068	7.5
125.06061	0.9
125.09627	1.5
129.07018	7.4
130.07791	0.9
131.08572	8.7
133.06479	1.9
133.10147	6.8
135.08057	2.1
135.11700	8.7
137.09637	2.8
142.07788	2.0
143.08536	1.4
145.10124	11.3
147.08087	3.5
147.11696	9.0
149.09615	4.4
153.12778	3.0
155.08553	1.2
157.10107	7.5
163.11185	22.2
165.12727	1.6
173.09624	2.7
175.11200	9.5
181.12234	2.7
191.10693	2.6
193.10405	1.3
193.12248	41.1
209.11763	7.1
211.13290	49.2
216.56236	0.9
227.12807	2.7
232.55632	1.0
249.14864	1.0
267.15964	4.2
277.64279	0.9
283.15384	2.6
285.17068	1.1
316.68906	1.1
383.22119	2.3
401.23285	1.2
447.31671	0.9
475.26852	5.6
493.27957	100.0
494.28085	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2801
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.62643	0.9
53.03965	5.1
53.04160	1.1
55.01878	9.9
55.05514	26.1
57.03446	9.9
57.07067	1.8
58.56552	0.8
59.04991	2.6
65.03934	2.4
67.05508	43.7
68.99821	1.1
69.03437	5.5
69.07066	10.0
71.01365	1.5
71.05004	5.8
77.03950	1.1
79.05500	38.0
81.03424	52.4
81.07063	35.6
83.01343	2.8
83.04990	17.7
83.08621	19.8
85.02909	17.9
85.06539	1.8
91.05489	35.5
93.07054	28.7
95.04979	26.9
95.08607	14.3
97.02892	4.1
97.06555	7.4
97.10174	11.7
99.04450	2.1
99.08093	1.2
103.05457	1.3
105.04514	1.4
105.07041	22.6
107.04954	15.8
107.08607	17.6
109.02883	1.1
109.06536	6.1
109.10163	13.4
111.04447	7.2
111.08115	7.4
113.06044	1.0
115.05466	3.1
117.07025	11.1
119.08595	18.6
121.02886	5.4
121.06499	6.4
121.10159	11.1
123.04423	2.3
123.08070	5.8
123.11740	1.6
125.06022	1.6
125.09618	8.1
127.11212	0.9
128.06259	1.4
129.07028	8.2
130.07787	1.1
131.04973	2.0
131.08582	13.3
133.06502	3.4
133.10164	7.8
135.04401	2.8
135.08057	3.9
135.11714	9.0
137.09631	4.2
142.07814	2.7
143.08591	2.9
145.06473	1.8
145.10136	10.4
147.04457	1.5
147.08034	5.0
147.11688	10.2
149.09628	4.5
153.09189	1.1
153.12761	7.6
155.08597	1.8
157.10117	9.8
159.11719	2.4
161.09691	1.2
161.82236	0.9
161.83720	0.9
163.11191	18.6
165.12805	2.6
166.07697	1.0
168.09468	0.9
169.10208	0.9
171.10268	1.7
171.11682	1.0
173.09634	3.4
173.11769	2.2
173.13206	1.0
175.11229	9.6
177.12776	1.0
181.12250	3.8
183.11751	1.0
185.13235	0.9
189.11252	4.0
191.10698	4.9
193.12260	28.7
199.13243	1.3
199.14954	1.0
201.12880	1.0
203.14520	1.1
209.11760	14.4
209.13635	1.5
211.13315	35.9
216.91925	0.9
219.13817	1.6
227.12819	11.9
229.14381	3.5
229.47197	1.2
231.13808	1.7
247.13304	13.3
249.14920	3.8
265.14304	2.5
267.15955	7.0
283.15427	9.7
321.17065	3.3
342.05011	1.0
355.22708	2.6
365.21100	2.3
373.23270	1.3
383.22125	6.6
401.23328	5.9
419.24374	2.0
457.25815	3.8
475.26947	25.5
490.97223	1.0
493.27988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03937	3.8
55.01877	7.9
55.05267	1.3
55.05513	21.2
57.03438	9.9
59.04990	1.5
65.03928	1.2
67.05505	26.1
69.03432	4.2
69.07072	7.5
71.01347	0.9
71.05001	6.3
77.03918	0.9
79.05498	31.0
81.03419	44.2
81.07059	31.3
83.01347	4.4
83.04981	16.7
83.08621	19.3
85.02435	1.4
85.02905	18.8
85.06551	1.0
91.05486	30.2
92.60420	0.7
93.07046	29.3
93.84518	0.8
95.04975	19.5
95.08607	13.2
97.02868	4.0
97.06510	6.1
97.10170	4.2
98.21542	1.4
99.04445	2.5
99.08088	1.3
103.05414	1.2
105.07035	21.5
107.04967	9.5
107.08590	13.5
109.02887	0.9
109.06515	8.1
109.10171	6.1
111.04434	5.1
111.08072	7.8
113.04324	0.9
113.06009	2.1
117.07038	6.4
119.07787	1.6
119.08587	18.5
121.06510	4.2
121.10139	11.6
123.08067	7.0
123.11683	2.5
125.05972	1.0
125.09623	1.8
128.06216	1.2
129.07005	7.9
130.07802	1.8
131.08568	8.5
133.06509	1.0
133.10123	6.8
135.08078	1.5
135.11700	10.3
137.09601	2.6
139.03864	1.5
142.07809	1.6
143.08557	2.6
145.10123	12.5
147.08061	2.6
147.11694	9.7
149.09601	5.0
151.11201	1.7
153.12743	3.5
157.10126	7.2
163.11197	16.5
165.12779	2.3
173.09586	2.7
175.11194	8.5
181.12247	3.8
191.10748	1.3
193.10448	1.2
193.12257	35.4
209.11725	6.9
211.13297	44.9
225.50668	0.9
227.12862	4.6
229.46686	1.0
249.14909	2.0
267.09027	0.9
267.15973	5.5
269.12668	1.0
283.15439	2.9
383.22293	2.7
401.23419	2.2
457.25833	1.1
475.26971	6.1
493.27954	100.0
494.28275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03936	4.7
55.01870	7.3
55.05512	25.3
56.96560	5.9
57.03443	8.2
59.04992	2.1
61.02922	4.2
65.03925	3.1
67.05507	31.9
69.03414	5.7
69.07072	10.6
69.25300	1.2
71.04996	6.4
71.08632	1.3
73.02912	3.5
79.05495	40.9
80.05837	1.6
81.03421	50.9
81.07061	40.9
83.01342	3.7
83.04981	17.9
83.08617	24.3
85.02905	22.8
85.06529	3.3
87.04482	1.8
91.03993	1.6
91.05488	38.4
93.07050	34.3
95.04964	21.3
95.08618	16.0
97.02892	9.1
97.06528	8.1
97.10164	6.7
98.97571	4.9
99.04458	4.3
101.66926	1.4
103.05471	2.4
105.04526	1.4
105.07037	25.8
107.04952	11.7
107.08588	18.9
109.06528	7.1
109.10175	8.2
110.97581	1.9
111.04436	7.2
111.08099	9.3
113.05951	1.9
115.05453	3.0
117.06297	1.3
117.07011	8.6
119.08572	23.3
121.06516	5.6
121.10153	16.0
123.04472	2.3
123.08075	4.7
123.11739	3.0
125.09647	5.4
127.03901	1.6
129.07007	8.7
131.08554	12.0
132.08871	1.4
133.06473	2.3
133.10152	9.7
135.08090	3.0
135.11691	8.0
137.06020	2.3
137.09642	4.6
139.03902	15.7
142.07805	2.1
143.08618	2.3
145.06471	1.9
145.10103	12.7
147.08028	2.8
147.11703	10.2
149.09616	5.6
153.09003	1.4
153.12794	2.9
155.08536	3.1
157.10135	10.3
159.11703	1.6
161.50243	1.4
163.03877	1.7
163.11166	21.9
165.09146	5.1
165.12784	3.2
171.11761	1.4
173.09665	3.1
175.07463	1.4
175.11253	9.0
175.79314	1.4
177.12582	1.5
181.12268	3.0
185.04892	1.5
189.11162	1.8
191.10703	3.6
193.12260	34.3
201.00739	1.5
209.11700	10.7
211.13297	47.8
219.01773	4.2
227.12791	4.3
237.02878	3.2
247.13275	3.5
249.14952	2.5
265.14398	1.4
267.09042	10.7
267.15836	9.9
272.06540	3.3
279.04022	1.9
283.15427	5.7
285.10123	13.8
285.16946	4.1
379.12354	2.8
383.22177	3.9
401.12701	4.2
401.23398	4.6
419.14008	6.9
419.19107	1.5
423.08237	5.7
424.17603	4.0
447.22049	3.6
447.27744	1.6
457.25836	1.9
461.27905	2.3
475.27176	10.7
484.18616	1.5
493.27972	100.0
494.28427	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	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	15.4
57.07073	6.5
67.05499	31.1
69.07062	26.0
69.17288	36.0
77.17256	3.9
79.05495	12.1
81.03378	8.0
81.07059	37.0
83.08613	17.0
91.05479	13.1
93.07043	27.7
95.08605	52.8
97.06500	5.6
97.10174	11.0
104.31598	3.4
105.06400	4.0
105.07022	21.2
107.08604	39.2
109.10153	39.6
111.11712	7.5
117.07025	4.0
119.08583	30.9
121.10170	29.8
123.11724	26.5
131.08543	8.0
133.10107	34.9
135.08051	5.0
135.11714	22.2
136.53479	4.1
137.09618	4.3
137.13254	6.2
140.70081	3.4
143.08521	4.5
145.10103	13.6
147.11684	24.7
149.09494	3.6
149.13248	15.2
151.14769	4.3
153.09102	5.9
154.32655	4.3
157.10103	5.2
159.11719	13.8
161.13251	15.3
163.14842	7.9
167.10712	4.9
171.11728	4.5
173.13297	9.1
175.14857	9.0
177.16391	6.9
185.13272	4.2
187.14726	5.8
189.16402	14.5
191.17911	8.0
195.13789	4.7
199.14909	4.9
201.16333	9.6
203.17949	13.0
205.19440	4.9
207.13872	4.2
215.17932	12.4
219.13890	4.9
219.17427	10.3
221.15410	4.2
223.17072	4.9
229.19463	4.5
231.21030	8.0
243.21101	8.7
255.20912	5.0
257.22668	6.7
263.20010	31.1
264.37015	4.2
269.22601	10.0
271.24359	5.3
275.20120	40.2
283.24188	6.7
317.24850	4.8
371.29166	4.1
421.34601	5.6
427.35672	100.0
439.35663	58.6
457.36633	34.9
475.37531	6.0
493.32770	50.7
493.39865	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	493.3892
Annotation	Foveolin A
Peak:m/z	Relative Intensity
52.68122	0.8
53.03942	2.1
55.01869	1.7
55.05515	15.0
57.03447	5.8
57.06799	1.2
57.07082	33.5
65.03949	2.2
67.05512	39.5
69.03455	0.8
69.07079	15.5
71.01357	3.4
71.04996	3.3
71.08639	22.0
71.39629	1.4
78.29041	0.8
79.05067	1.5
79.05502	24.8
81.03396	2.6
81.07064	28.5
83.04995	4.1
83.08627	10.6
85.06541	2.2
85.10196	13.0
87.95100	0.7
91.05487	11.6
93.06476	1.7
93.07051	28.4
95.04974	2.6
95.08615	23.3
97.06551	6.8
97.10187	11.7
99.04460	0.8
105.07020	2.5
107.08598	19.5
109.10160	13.7
111.08105	1.5
111.11704	2.2
114.44910	0.9
117.07034	3.8
119.08596	3.8
121.06562	0.8
121.10179	4.0
123.11712	4.9
133.10141	1.9
135.11702	34.1
137.09621	0.8
137.13266	1.5
145.10143	6.8
153.12776	1.1
163.11246	4.4
181.12248	8.4
192.05943	0.8
199.13329	2.1
239.23691	9.0
243.90311	1.0
258.05063	0.9
313.27518	1.6
383.39713	0.9
416.94070	1.0
460.92117	0.9
473.22955	0.9
493.33792	4.9
493.38971	100.0
494.38953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30769	1.4
53.03947	3.6
53.49345	1.7
55.01864	5.2
55.05519	8.4
56.60138	1.4
56.96572	1.8
57.03426	2.5
61.02916	2.1
67.05511	18.3
67.11046	1.6
67.55174	1.5
69.03424	12.3
69.07069	5.9
71.04987	4.5
71.54085	1.3
71.54489	1.9
73.02934	2.7
73.31844	1.9
79.05497	7.2
81.03415	21.6
81.07055	16.2
83.04997	3.8
83.08604	4.9
85.02905	23.6
85.06547	6.4
87.00831	6.1
87.04469	1.6
91.05469	6.7
93.07038	14.1
95.04981	11.3
95.08606	18.9
97.02891	10.2
97.06544	2.1
99.04446	9.6
99.08101	44.9
101.06026	1.6
105.01868	5.3
105.07027	8.6
107.08588	12.5
109.02882	20.2
109.06509	5.2
109.10160	66.2
111.08099	2.0
113.09653	1.6
115.03976	2.0
117.07005	2.4
119.08584	10.1
121.02882	5.6
121.10159	8.2
123.04465	2.0
123.08082	3.2
123.11702	5.7
124.07586	6.5
125.06024	2.1
125.09630	2.4
127.03922	18.4
131.04910	3.7
133.04895	1.7
133.10121	10.2
135.08113	2.6
135.11697	13.6
137.05997	17.5
137.09622	100.0
138.06337	7.2
139.03908	2.5
145.04980	5.4
147.04506	1.6
147.11699	4.1
149.13275	2.2
151.07607	4.5
151.14838	1.6
153.12729	3.6
155.10675	14.0
159.02896	2.9
163.07536	2.6
163.11154	1.7
165.06961	3.1
165.09123	88.9
165.12794	2.2
165.16412	1.4
167.07098	2.0
173.09537	1.4
175.14839	7.5
183.10208	6.5
191.10698	2.1
193.15892	30.0
201.11223	7.6
211.16954	59.8
212.12825	5.6
214.48592	1.7
224.07797	1.4
229.17978	1.9
231.05020	3.1
283.15521	3.2
291.12320	7.9
297.13318	5.3
309.13342	33.7
327.14362	15.4
345.15353	2.5
441.17328	2.2
459.22321	32.5
494.19281	2.1
495.18326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98947	1.9
55.05507	5.1
57.07072	3.2
66.21268	2.4
67.05497	10.0
69.07076	9.9
71.53546	2.7
79.05493	5.5
81.03407	2.3
81.07064	32.8
81.14625	2.2
83.08620	5.4
91.05492	4.5
93.07034	11.8
95.08613	70.2
97.10165	5.0
104.10751	3.2
105.07049	6.3
107.08591	19.6
109.10166	28.0
119.08575	13.1
121.10144	21.1
123.08112	2.6
123.11716	39.5
131.08566	2.6
133.10117	16.9
135.11705	17.8
137.09616	3.4
137.13264	27.9
139.07574	7.7
145.10143	5.0
147.11702	9.7
149.09589	3.2
149.13274	8.1
151.14813	5.4
155.77371	2.5
159.11703	3.5
161.13318	13.3
163.14861	4.5
171.11652	3.8
173.13333	4.1
175.14851	7.6
177.16396	4.4
179.14336	7.7
179.18007	6.4
185.13234	2.3
187.11221	3.9
189.12766	3.3
189.16412	11.4
193.12215	3.5
193.19502	4.2
199.14735	2.2
201.16492	3.1
203.17915	4.0
207.13806	8.6
207.17534	3.3
217.15932	5.1
217.19565	5.5
221.19055	4.2
235.16963	15.3
243.20995	2.9
261.18521	3.1
269.19000	4.4
289.21579	9.2
320.86740	2.4
405.31714	3.1
413.34247	41.2
423.32526	18.2
431.35266	76.1
441.33661	80.8
459.34726	100.0
460.35178	2.4
477.35672	14.9
494.32056	3.4
494.38541	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	495.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01869	3.6
55.05506	3.3
56.41924	0.9
56.91722	0.9
57.03440	7.4
57.07069	8.4
59.05009	5.0
61.02931	10.7
67.05499	7.7
69.03432	25.6
69.07064	6.2
69.91858	3.6
71.04991	6.1
73.02918	5.8
79.05482	2.0
81.03415	10.7
81.07069	4.9
83.01357	1.6
83.05006	1.2
83.08643	4.5
85.02905	100.0
85.06536	7.1
87.04465	3.0
91.03968	2.5
91.05487	2.6
93.04314	1.1
93.07042	4.0
95.04977	5.0
95.08609	47.9
97.02895	31.8
97.06535	2.6
98.20756	2.1
99.04461	4.7
99.08092	9.3
99.09885	0.9
103.03937	1.3
105.07053	1.8
107.04955	1.3
107.08594	4.3
109.02889	10.4
109.06512	10.8
109.10157	12.6
111.08083	5.3
113.09648	62.4
115.03919	3.1
119.08640	1.2
123.04405	1.3
123.08083	1.4
125.02389	1.2
127.03915	21.6
127.11188	15.6
132.40370	1.0
133.04950	5.4
133.19992	0.9
135.11713	9.7
137.09659	2.7
137.13260	3.9
139.07666	1.1
145.04956	28.9
153.01839	3.9
153.12746	48.9
154.02159	1.2
155.14301	12.5
159.11809	1.0
161.09569	1.1
163.06079	5.3
163.07414	1.4
171.13808	45.8
177.12772	3.5
179.03461	1.5
179.05536	6.2
181.40086	1.0
183.13948	1.0
195.13858	3.4
207.13802	1.0
211.16840	2.2
213.11404	1.0
213.14799	12.6
225.18288	1.0
249.14946	1.1
267.15952	2.7
279.15845	2.3
279.83905	1.1
297.17020	2.9
315.17511	1.2
333.19046	4.6
471.16711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85105	0.5
53.03952	4.0
53.31206	0.5
55.05515	25.4
57.03443	14.3
57.07069	0.9
57.33521	0.4
59.04998	1.2
65.03947	3.4
67.05510	37.9
69.03434	6.6
69.07072	10.9
71.01363	1.0
71.03113	1.1
71.05000	8.2
73.02885	0.6
73.67660	0.5
73.76782	0.6
79.05499	36.3
79.39413	0.4
79.84753	0.4
81.03424	90.3
81.07063	42.7
81.07469	0.4
81.07588	0.6
82.03741	0.7
82.07366	0.6
83.04987	21.9
83.08626	33.6
85.02911	46.0
85.06545	2.6
87.04466	0.8
91.05486	48.6
93.07049	26.1
95.04976	39.7
95.08610	15.6
97.02905	4.4
97.06539	6.8
97.10172	7.9
98.21414	0.5
99.04429	1.0
99.08099	1.3
103.05487	0.9
105.04539	1.1
105.07037	35.9
107.04286	1.0
107.04966	10.0
107.08598	12.6
109.06531	7.7
109.10162	5.1
111.04470	3.7
111.08092	12.7
113.06017	3.8
115.05480	2.8
117.07030	3.7
119.04951	1.2
119.08588	28.6
121.06522	3.2
121.10151	15.1
123.08087	5.9
123.11710	4.2
124.72591	0.4
125.05997	0.8
125.09613	3.8
127.07523	0.6
127.11195	0.6
128.06201	1.0
129.05536	0.7
129.07014	17.2
129.12930	0.5
131.08578	16.4
133.06508	4.5
133.10144	14.9
135.08073	1.9
135.11684	1.5
137.09637	3.2
139.03899	1.6
141.06941	0.6
142.07813	4.0
143.08556	0.7
145.06493	1.2
145.10059	3.5
147.08072	4.3
147.11693	20.1
148.11948	0.5
149.09630	8.7
149.13269	1.0
151.11192	1.0
153.09193	0.7
155.08516	1.0
157.10138	19.3
159.11703	0.8
161.09589	1.2
163.11174	1.9
165.09111	2.4
165.12764	4.9
166.09569	0.9
171.11707	0.7
173.09578	1.1
175.11189	20.9
185.13260	0.9
189.11206	1.2
193.12256	71.9
194.12576	1.2
197.13321	0.6
205.12215	0.6
207.13809	0.7
211.13304	93.4
227.12727	1.3
231.13873	0.7
233.15407	1.0
233.37083	0.5
249.14970	0.9
253.15820	0.6
267.15942	13.5
285.17020	5.9
316.75394	0.6
357.24594	0.8
359.22125	0.6
367.22736	1.9
385.23767	3.5
403.24686	1.6
431.27759	1.5
433.25949	1.4
434.26035	0.6
449.28683	0.6
451.26880	1.4
459.27628	6.3
477.28455	9.7
495.29584	100.0
496.29810	1.9
502.19284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03199	1.0
53.03946	4.7
55.05264	1.7
55.05512	20.8
55.66280	1.1
57.03439	13.8
57.64104	0.9
59.05001	2.1
65.03936	3.2
67.05507	34.0
67.69557	0.8
69.03432	7.2
69.07069	12.0
69.17617	11.0
71.04986	8.1
77.03928	1.3
79.05492	38.1
81.03419	83.0
81.06579	2.0
81.07059	39.9
83.04981	17.3
83.08145	2.0
83.08620	30.6
85.02906	37.1
85.06549	2.5
89.21661	0.9
91.05482	48.0
93.07047	27.4
95.04969	35.8
95.08610	17.3
97.02916	4.8
97.06555	6.0
97.10172	7.1
98.21512	2.5
99.04464	1.6
99.08102	1.8
100.11221	2.6
103.05475	1.6
105.04546	1.7
105.07033	35.0
106.75040	0.9
107.04962	11.5
107.08591	13.7
109.06520	9.2
109.10146	6.6
111.04440	4.5
111.08078	15.2
113.06020	4.4
115.05470	1.5
117.07022	2.8
119.04967	1.3
119.08585	27.6
121.02904	5.5
121.03594	0.9
121.06510	4.5
121.10152	16.0
123.04420	1.0
123.08082	4.4
123.11714	4.2
124.84129	1.0
125.06094	1.1
125.09643	3.8
127.03881	5.1
128.06250	1.8
129.07004	16.1
131.08568	16.7
133.06508	4.3
133.10133	14.5
135.08040	3.1
135.11658	1.2
137.05997	1.8
137.09647	3.3
142.07803	3.7
143.08578	2.0
145.06490	1.0
145.10153	4.3
147.08069	4.8
147.11696	22.1
149.09622	9.8
155.08507	1.1
157.10139	17.4
159.11732	1.0
161.09657	2.1
163.11218	2.3
163.14917	1.0
165.09183	1.6
165.12784	5.0
173.09610	1.4
175.11194	21.0
181.10106	1.1
187.07512	1.0
189.11200	1.6
193.12245	68.1
200.74234	1.1
211.13298	97.4
212.13751	1.3
219.13860	2.4
227.12794	2.0
249.14896	1.6
259.15219	1.0
259.44711	1.2
263.16144	1.0
267.15930	16.5
282.94226	1.0
285.16953	6.0
333.20444	1.2
341.21042	1.1
359.22437	1.4
367.22620	3.4
385.23782	4.2
393.19440	1.0
403.24893	2.4
421.25574	1.3
431.28342	1.5
433.25916	1.6
451.26767	2.3
459.27567	7.9
477.28543	14.5
495.29575	100.0
496.29956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
54.59758	0.9
55.05509	21.8
57.03436	13.5
59.04986	1.1
65.03928	2.8
67.05504	32.8
69.03448	4.6
69.07071	7.4
69.57796	4.5
69.58208	2.1
71.05001	7.4
73.01240	1.0
76.10995	1.0
77.03933	1.3
79.05495	35.9
81.03417	82.8
81.07055	35.2
83.04984	17.1
83.08617	29.4
85.02905	43.5
85.06532	2.7
85.64224	0.9
91.05480	47.3
93.07040	23.2
93.69013	0.9
95.04968	33.1
95.08601	14.6
97.02908	3.5
97.06558	4.7
97.10189	5.8
99.08062	1.2
105.07030	31.8
107.04968	6.9
107.08575	10.6
109.06514	6.8
109.10169	4.2
111.04427	3.8
111.08079	15.1
113.06003	4.3
115.05463	3.0
116.06203	1.0
117.07008	2.6
119.08582	26.4
121.06531	2.1
121.10141	13.1
123.08058	3.5
123.11707	2.0
125.06002	1.1
125.09621	2.6
128.06190	1.6
129.07008	15.1
131.08568	17.3
133.06497	3.6
133.10139	14.5
137.09621	3.9
142.07808	4.1
144.62885	0.9
145.10112	2.6
147.08047	2.9
147.11674	17.5
147.12788	1.2
149.09607	8.3
151.11150	1.6
157.08894	0.9
157.10118	19.9
159.11673	1.2
163.11246	1.1
165.12779	4.0
175.11194	20.2
193.12241	61.3
211.13283	85.6
250.40604	1.0
267.15884	13.5
285.16910	7.2
329.89447	0.9
385.23886	2.4
386.69070	1.2
403.25021	1.1
459.27133	6.9
472.51852	1.0
477.28461	9.2
495.29523	100.0
496.30038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
55.01874	28.3
55.05272	2.3
55.05511	33.5
57.03438	15.4
57.07084	9.5
59.04984	2.6
60.93389	2.0
61.02926	2.5
65.03934	4.7
67.05506	82.8
69.03432	9.9
69.07066	30.0
70.49944	4.2
70.50278	1.6
71.00674	1.8
71.01350	2.8
71.04994	9.0
73.02892	6.5
79.05492	60.9
80.06272	2.2
81.03415	21.9
81.07059	100.0
82.04182	6.3
83.04985	20.5
83.08619	22.7
85.02904	5.2
85.06538	6.5
91.05482	46.7
92.04820	1.9
93.07044	74.4
93.07635	3.9
95.04968	24.5
95.08603	31.1
97.02891	6.4
97.06535	18.4
97.10178	10.4
98.07310	10.6
99.04453	2.6
99.08094	2.1
105.07034	21.8
107.04964	6.6
107.07871	2.5
107.08591	38.4
109.06532	6.1
109.10146	15.0
111.04436	6.7
111.08088	12.4
113.06026	3.2
114.66856	1.6
116.06204	1.5
117.07021	12.2
119.08579	14.0
121.06475	4.9
121.10151	22.7
122.11039	2.1
123.08091	8.5
123.11691	6.1
125.09622	12.5
127.11196	2.7
129.05495	1.9
129.06992	7.5
131.08571	15.5
133.10123	16.8
133.42067	1.5
135.08055	7.3
135.11673	13.1
136.08969	1.8
137.09581	3.1
139.11252	2.1
143.08618	1.7
145.06517	2.4
145.10146	4.1
147.11658	9.5
148.12448	4.6
149.09590	3.9
149.13260	35.4
151.11229	2.4
153.12756	2.8
157.04967	3.0
157.10103	6.5
158.05725	6.7
159.11678	13.6
163.11124	8.6
171.06570	12.0
173.11728	3.4
175.11188	4.5
177.12737	6.8
185.08101	3.7
191.10698	3.2
191.68097	1.7
193.12206	7.5
195.13806	15.8
199.09657	2.8
199.13322	4.7
209.11722	8.0
211.13338	5.8
213.14835	3.5
227.12749	8.1
241.14305	1.9
255.15915	6.7
267.09070	3.0
267.15952	5.7
269.10727	2.6
269.17499	19.2
283.15479	7.5
285.10095	2.4
285.17026	1.8
295.19012	3.2
319.22733	1.8
323.18533	9.9
323.22076	3.2
337.20029	2.0
351.21756	4.2
393.26212	6.1
423.27298	12.2
444.40616	1.7
449.28830	3.8
459.27603	3.6
477.28513	16.5
478.29156	7.5
495.29562	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73697	1.0
57.03434	3.6
69.03435	10.8
69.41460	6.6
75.04485	1.1
81.03420	2.9
84.59180	1.0
85.02905	9.2
87.04485	8.3
91.05469	1.6
95.01327	1.4
97.02896	12.4
98.97616	1.1
100.95022	1.0
107.08607	1.4
109.02882	1.8
109.54539	1.0
110.03681	3.7
111.04441	1.3
111.08139	1.0
111.34166	1.0
115.03947	10.6
119.44144	1.0
123.04440	1.3
124.03903	1.1
124.07597	1.2
125.06005	17.5
127.03908	2.4
133.04979	9.5
137.05988	2.6
139.03900	4.4
139.07500	1.7
145.05016	1.4
153.01917	1.2
153.05469	39.3
154.06271	13.0
160.05107	2.1
161.05978	1.2
163.03918	1.3
166.06349	1.6
167.07040	5.8
170.05785	7.2
177.05400	1.0
178.06236	5.3
179.03448	1.4
181.08676	1.4
182.05792	4.5
185.08102	100.0
189.05441	1.0
192.07767	1.9
194.05751	10.2
197.08136	8.1
203.06958	1.1
209.08080	21.2
221.08134	1.5
222.08318	1.5
227.09184	12.9
251.09167	4.6
263.09207	3.0
281.10208	14.8
288.10638	1.3
299.11234	3.8
311.11295	2.6
317.12128	1.6
334.12692	1.1
335.12506	1.3
344.07391	0.9
390.60696	1.2
436.10895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19438	0.5
52.51776	0.4
53.03947	1.2
55.05526	2.3
57.03435	2.8
59.04996	1.8
61.02925	0.6
64.63294	0.4
69.03431	1.3
69.07077	1.2
71.04999	27.3
71.45745	0.7
73.02911	1.0
73.06547	2.6
75.04482	1.7
79.05508	3.2
81.03426	0.9
81.07068	17.0
83.04985	5.2
85.02914	25.9
87.04488	1.1
91.05502	1.4
93.07050	10.6
95.08608	1.8
97.02897	1.4
97.06525	0.9
105.07008	0.6
107.08609	8.5
109.02882	0.6
109.10168	1.5
109.72842	0.5
111.04483	2.4
119.08591	0.6
127.03924	2.0
129.05490	10.2
135.11703	16.8
141.92940	0.5
145.05009	1.3
147.04463	0.7
147.06552	6.3
151.38547	0.5
153.12762	100.0
154.13078	0.6
163.06009	0.6
171.13930	0.6
183.21967	0.5
204.12433	0.5
252.84818	0.5
255.08702	1.6
273.09747	1.2
309.11880	1.5
317.19592	1.4
344.84375	0.5
506.07623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01862	1.8
55.05524	2.9
57.03440	3.3
57.07074	1.2
57.33770	0.5
59.05009	0.8
59.43800	0.5
60.93292	0.4
61.02924	1.0
62.08741	0.5
66.70261	0.5
67.05524	4.8
69.03436	6.4
69.07068	4.6
70.07597	1.7
71.01338	0.5
71.05001	11.1
73.02928	4.2
73.06556	2.8
79.05493	2.3
81.03423	2.4
81.07072	4.8
82.07404	0.5
82.83405	0.5
83.04989	0.8
83.08609	2.8
85.02918	14.9
85.06551	1.0
87.04479	1.0
91.05489	2.0
91.82215	0.5
93.07051	7.3
95.04963	0.6
95.08623	23.0
97.02901	8.7
97.06527	1.4
97.53146	0.5
99.04480	1.3
99.08112	0.8
103.03941	0.9
105.07045	1.1
107.04937	1.0
107.08612	10.1
109.02876	1.9
109.06512	1.0
109.10170	8.8
111.04433	0.7
111.08104	1.0
115.03919	3.2
119.08603	1.1
121.02874	1.4
121.10172	5.2
123.04451	0.8
123.08082	0.6
123.11713	3.1
124.07603	1.4
125.09653	1.0
127.03927	4.6
133.04979	5.0
135.08060	1.1
135.11720	0.9
137.09631	5.2
138.09148	1.0
145.04961	5.4
147.04417	0.7
149.13272	16.1
161.05949	0.5
163.06042	1.9
165.09117	5.5
167.14336	100.0
168.14706	0.7
177.16507	0.7
182.46764	0.5
183.10283	0.7
185.15428	6.2
201.11154	0.6
207.30473	0.6
213.18501	0.7
214.14369	3.4
235.28716	0.6
241.07123	0.6
259.08054	0.8
295.10403	1.1
309.13388	2.7
327.14258	1.1
327.96472	0.5
357.13141	0.6
371.12354	1.2
464.18332	1.0
490.48187	0.6
496.18933	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	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01878	1.2
55.05497	2.7
55.71509	0.6
57.03442	4.4
57.07075	1.3
58.34159	0.7
59.04992	1.0
61.02943	1.5
67.05511	4.8
69.03429	8.1
69.07077	5.4
70.43150	0.6
71.04995	11.9
71.53634	1.2
73.02917	6.6
73.06541	2.5
73.73052	0.7
79.05492	3.2
81.03397	2.3
81.07066	8.9
83.04957	0.8
83.08615	3.9
84.95937	0.8
85.02909	16.0
85.06546	1.3
87.04466	1.0
91.05471	2.5
93.07041	7.8
95.04965	0.9
95.08608	23.8
97.02897	9.2
97.06521	1.7
98.97574	1.1
99.08054	0.9
105.07027	1.9
107.04939	0.8
107.08599	10.2
109.02864	1.7
109.10177	7.2
111.08053	1.9
115.03938	4.6
119.08585	1.7
121.10139	5.1
123.04426	0.8
123.08067	0.7
123.11723	3.6
124.03963	1.6
125.09618	1.1
127.03905	3.0
131.08549	0.8
133.04982	3.0
133.10117	1.3
135.11749	1.0
137.05963	1.3
137.09624	1.1
137.13252	2.1
138.09161	1.2
139.03900	2.7
145.04926	5.1
147.04401	0.8
147.11644	0.8
149.13260	19.2
163.06012	1.4
165.09163	0.8
167.14322	100.0
168.14703	1.3
185.15366	8.2
193.15947	1.4
214.14363	2.1
216.63918	0.8
259.08270	1.0
260.67569	0.8
274.77753	0.7
294.41492	0.8
295.10361	1.2
329.19644	1.3
496.18182	0.9
497.15955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05491	0.2
56.05040	1.2
57.03426	0.5
57.07078	3.0
58.06565	1.2
59.07381	0.3
60.08167	16.2
67.05502	0.6
69.07069	0.7
71.07380	6.2
71.08630	2.4
71.23257	0.4
76.43579	0.2
81.07059	1.0
83.08631	0.7
85.10184	1.2
86.09709	49.0
95.08601	1.3
98.98476	3.4
104.10748	100.0
109.10172	0.5
113.95093	0.2
117.88883	0.2
123.11710	0.3
125.00009	26.3
134.04187	0.2
163.01573	0.8
184.07346	90.8
185.07782	0.2
240.09868	0.3
258.11053	0.9
280.27219	0.2
298.43146	0.2
313.27356	1.6
342.23431	0.2
478.32986	8.7
480.39719	0.2
496.34009	37.3
497.34308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01878	1.1
55.05514	5.9
57.03429	1.7
61.02929	2.4
65.03947	0.7
66.88953	0.6
67.05504	2.1
69.03432	100.0
69.07071	1.9
71.01342	3.4
71.04997	10.0
79.05513	1.2
81.03419	1.6
81.07066	2.8
83.04983	29.3
85.02911	13.2
87.04483	2.0
88.59095	0.6
91.05491	6.3
93.07066	1.9
95.08624	2.5
97.02890	0.9
97.10178	0.7
98.21577	1.4
98.97585	0.7
99.04496	1.8
105.07053	2.5
107.04993	0.8
107.08597	1.6
109.02883	0.9
109.10156	1.2
111.04446	31.0
111.08079	1.0
119.04949	14.3
119.08637	1.1
121.02971	1.0
121.10201	1.2
123.08032	1.0
125.09649	0.8
127.03911	1.5
129.05484	68.3
131.08675	0.8
133.10094	1.0
135.08055	1.0
135.11708	0.9
136.76155	0.8
137.06033	2.0
137.09662	0.9
139.03912	1.0
139.29802	0.8
145.05075	0.7
145.10159	0.7
147.04416	80.8
147.11687	1.3
151.79059	0.7
161.05908	1.1
163.11172	1.6
167.07104	1.7
167.08488	1.1
167.14365	1.3
171.06549	1.0
175.55502	0.7
185.07220	0.7
185.13234	0.7
189.07585	29.0
189.09235	1.5
213.16565	0.8
229.80702	1.1
231.06610	1.3
273.07718	0.9
281.15100	0.8
291.08743	2.7
309.09799	5.0
318.00296	0.8
358.23380	0.8
360.35342	0.8
497.19879	1.4
497.27679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12778	0.7
53.03941	1.4
55.01876	1.1
55.05508	8.1
56.96565	0.8
57.03436	1.9
59.05018	0.7
61.02925	2.9
65.03942	1.9
67.01880	0.8
67.05511	4.0
69.03431	100.0
69.07067	2.8
69.49103	3.9
71.01356	3.8
71.04993	11.8
79.05507	2.3
81.03418	2.2
81.07070	5.0
83.04982	29.2
85.02390	0.4
85.02908	14.0
85.06550	1.5
87.04478	1.5
91.05482	7.6
92.86493	0.6
93.07059	4.7
95.04991	3.1
95.08614	5.0
97.02911	1.0
97.06553	1.5
97.10188	2.8
98.97614	1.0
99.04483	2.0
101.06000	0.7
105.07024	3.3
107.04961	1.3
107.08591	4.1
109.02894	1.8
109.04134	0.7
109.06528	2.0
109.10155	4.5
111.04451	28.6
111.05224	1.4
111.08096	1.9
113.06055	0.9
117.07042	1.0
119.04941	15.2
119.08580	3.8
121.02743	0.6
121.06538	1.3
121.10187	2.6
123.04449	1.7
123.08057	1.6
123.11738	1.4
124.07610	1.4
125.09670	1.1
127.03899	3.1
129.05482	67.4
131.08621	1.5
133.10153	2.5
133.28447	0.6
135.08083	2.2
135.11684	1.1
137.05994	2.1
137.09654	1.6
139.03938	0.9
139.07478	0.8
143.10747	0.8
145.04944	0.8
145.10182	2.1
147.04411	74.9
147.08090	1.4
147.11707	1.3
149.09607	1.5
149.13290	0.8
151.03905	1.2
151.11209	1.3
157.10103	1.0
159.08052	1.0
159.11716	1.2
161.06009	1.1
161.09666	1.9
163.03947	0.9
163.11191	2.0
165.05432	1.0
165.09204	1.3
167.07101	1.0
167.08485	0.6
168.08946	1.0
169.10155	0.9
173.09630	0.9
173.13353	0.9
175.11246	0.9
177.09109	1.1
179.10707	1.7
187.07640	0.8
187.11151	0.7
189.07582	26.8
193.12236	0.7
201.12790	1.3
231.06729	1.1
273.07663	0.7
281.15173	1.1
291.08719	2.8
299.23590	0.9
309.09787	4.7
309.12994	0.9
317.21283	1.4
317.24741	1.5
411.17114	1.8
466.19958	0.9
479.27704	0.9
497.19135	3.4
497.27588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.02036	0.3
55.05503	0.6
57.03436	0.7
61.02926	0.8
64.07728	0.3
65.03934	0.8
67.05496	1.3
69.03422	2.3
69.07071	39.4
69.46687	0.3
69.79558	0.7
69.79968	1.2
71.04987	0.9
73.02918	0.5
78.22642	0.3
79.05527	0.4
81.03402	1.3
81.07065	2.8
85.02908	5.8
92.05001	0.7
93.07058	0.5
94.06551	1.7
95.04983	0.7
96.08163	0.4
97.02898	1.8
97.06543	6.3
99.04459	0.5
105.07068	0.4
108.04446	0.5
109.02853	0.6
109.06484	0.6
122.06033	4.9
124.07597	1.7
125.06046	0.7
127.03991	0.8
131.07367	0.5
132.08055	0.4
135.11700	0.3
136.12962	0.4
137.05995	1.8
138.05502	3.7
140.07077	3.5
142.08617	0.6
144.08025	0.8
145.04996	0.6
145.08891	1.4
145.10042	0.5
146.09650	2.3
148.03961	1.5
150.05510	46.1
152.03412	0.8
153.12752	1.6
154.13055	0.8
157.08896	1.0
158.09492	0.4
159.10434	0.5
160.07582	0.7
160.11159	0.4
161.08359	2.9
162.09137	1.6
163.05078	0.5
164.03479	0.7
165.04230	0.6
166.05009	9.8
167.07216	0.4
168.06581	1.2
172.07588	1.4
172.11188	1.9
173.08284	0.8
174.09177	0.5
174.12798	4.2
176.03418	3.0
178.04993	0.8
178.49913	0.4
182.04474	0.4
185.08401	0.7
186.07597	0.5
188.10684	0.8
190.08612	0.6
190.12276	4.2
192.02943	0.7
194.04527	1.8
198.09210	0.5
199.06281	0.5
200.07077	0.7
200.10698	4.2
202.12280	4.6
213.10284	0.5
216.10237	3.0
218.08301	0.7
218.11771	13.9
226.08636	0.7
228.10213	9.4
229.13423	1.0
234.11215	1.9
241.09653	0.5
243.11311	1.0
244.09804	1.7
245.12840	0.8
246.11256	12.1
255.11362	0.9
256.09637	0.9
257.09351	0.6
261.08813	0.4
261.12384	0.6
262.10831	0.5
269.09204	0.6
271.07977	0.5
271.10806	3.3
271.13663	0.5
272.09167	2.1
273.12274	1.5
274.10840	1.8
287.10251	4.8
288.11298	0.4
289.11819	5.5
290.10205	1.0
291.13443	0.9
299.10257	5.9
317.11313	21.4
318.09515	1.7
335.12369	100.0
336.12695	0.9
497.17380	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	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
52.63951	1.1
53.03943	9.0
55.01891	6.0
55.05513	25.6
57.03440	32.7
57.07067	2.9
58.11930	1.2
59.05002	1.2
61.02929	78.6
65.03927	4.9
67.05508	90.8
69.03436	45.3
69.07074	18.9
69.28460	10.6
71.01361	7.1
71.04987	9.1
73.02924	33.5
75.04488	2.4
79.05497	59.1
81.02983	1.9
81.03426	28.2
81.07060	90.2
83.01342	1.2
83.04997	8.5
83.08627	11.1
85.02908	79.7
85.06540	3.8
87.04455	4.0
91.03960	50.1
91.05484	35.8
93.07047	71.5
95.04988	7.3
95.08611	75.9
97.02895	64.9
97.06522	4.2
97.10159	4.7
98.21558	2.5
99.04465	13.9
99.08047	1.8
101.02386	17.3
103.03960	10.5
103.05433	1.2
105.07040	30.8
107.04885	1.3
107.08595	37.1
109.02888	12.7
109.06506	5.1
109.10162	34.6
111.04433	4.0
111.08071	3.1
115.03918	6.1
115.05420	1.9
117.05479	4.1
117.07023	12.6
119.07798	1.8
119.08590	23.5
121.06484	1.9
121.10149	35.8
123.08080	2.7
123.11711	15.0
125.09610	2.2
127.03923	26.1
128.06258	1.4
129.05525	6.9
129.07001	3.9
131.08566	22.8
133.06459	1.1
133.10143	20.8
135.08072	2.4
135.11693	24.5
137.06038	1.3
137.09637	2.9
137.13199	4.0
139.11182	2.0
141.06956	1.6
141.35164	1.2
143.08536	3.1
145.04953	12.7
145.10133	14.7
147.08049	1.9
147.11678	11.3
149.09616	3.1
149.12187	1.4
149.13272	14.4
151.11166	1.5
151.14844	1.2
153.12794	1.3
155.08514	1.5
155.18790	1.2
157.10158	3.9
159.06519	2.0
159.11702	13.2
161.13258	10.5
163.11174	1.6
163.14821	4.8
169.10132	1.6
171.11714	2.6
173.13245	11.5
175.11171	1.9
175.14828	3.2
177.12689	1.2
177.16370	3.1
183.06537	6.8
183.11711	1.3
185.13264	2.3
187.11201	1.8
187.14777	4.1
189.12769	1.1
189.16438	1.5
191.14343	1.7
199.14879	2.4
201.07539	5.0
201.12630	1.7
201.16377	2.4
211.14839	1.5
233.22681	1.4
243.21065	7.9
259.20511	4.3
261.22141	27.9
273.22064	1.7
277.21490	1.7
289.21652	1.6
301.21448	1.8
303.23184	2.7
317.24915	2.9
319.22726	1.3
333.24536	1.4
335.25800	100.0
345.24072	2.1
363.25214	4.0
369.24265	3.8
377.26712	2.5
387.25348	1.9
405.26477	2.1
443.27728	3.5
448.86133	1.2
461.28943	3.6
479.30051	6.5
497.30930	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3603
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
50.97505	0.2
64.89507	0.2
67.05511	0.5
68.37996	0.2
69.07101	0.2
89.06016	0.2
93.07049	0.3
95.08601	0.5
99.71278	0.2
107.25221	0.2
119.08586	0.4
229.29808	0.2
237.49861	0.3
268.00449	0.3
271.14417	0.3
479.34995	0.9
497.36078	100.0
498.36487	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	497.3606
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
50.33358	0.2
51.41033	0.2
67.05502	0.4
79.05537	0.3
81.07071	0.6
95.08611	0.5
98.20736	0.8
133.10201	0.3
135.41374	0.3
143.08730	0.4
161.13318	0.3
172.99010	0.3
239.49445	0.3
259.56006	0.3
266.91022	0.3
373.76797	0.3
456.05569	0.3
479.35504	0.4
497.36124	100.0
498.36353	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50090	8.8
55.05502	10.8
67.05528	11.4
69.07074	22.9
71.54573	10.4
71.54922	10.5
73.32068	9.4
79.05505	15.0
81.07056	34.5
83.08623	19.9
89.06052	46.5
93.07049	22.0
95.08608	56.0
105.07043	34.5
107.08592	44.4
109.10168	36.0
113.07885	11.4
119.08581	78.0
121.10155	38.7
123.11717	19.1
131.08565	23.0
133.08661	23.6
133.10135	40.9
135.11676	26.0
138.34607	8.6
145.10120	27.2
147.11693	31.4
149.13251	11.3
159.11734	20.9
161.13301	14.1
173.13281	23.5
175.14888	24.0
178.13687	9.4
187.14806	19.7
189.16393	65.8
191.18001	23.2
199.15027	8.9
199.92024	9.3
201.16397	50.6
203.17966	49.0
205.91054	9.8
211.07156	9.5
215.17960	38.0
229.19530	21.5
243.21101	24.0
247.17067	14.6
255.21082	11.6
269.22836	10.9
283.17542	26.3
284.17950	19.1
331.18192	8.9
379.58545	9.6
391.33694	11.9
399.16989	10.2
402.52377	9.3
437.34247	100.0
497.35638	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54887	0.6
50.79789	0.6
53.03944	1.6
55.01874	3.8
55.05510	7.5
57.03243	0.7
57.03444	6.7
57.84471	0.7
59.04996	0.6
61.02918	3.1
63.90268	0.7
65.03938	0.9
67.05508	10.3
69.03416	3.2
69.07075	5.3
69.85171	2.0
69.85569	1.1
71.01356	0.7
71.04987	2.5
73.02936	3.5
74.09702	0.7
79.05502	9.9
81.03429	9.8
81.07065	8.9
82.04230	3.5
82.07352	1.1
83.04996	5.1
83.08618	5.3
84.02119	1.2
84.05761	0.9
85.02911	6.1
85.06519	1.6
87.04455	1.1
91.03972	1.4
91.05484	10.3
93.07050	9.2
95.04982	9.7
95.08605	5.6
96.05739	1.1
97.02900	5.0
97.06531	3.1
97.10184	6.0
98.07315	3.5
99.04433	0.9
99.08118	1.3
101.06051	0.8
105.07035	4.6
107.04961	2.5
107.08604	6.0
109.02888	1.9
109.06516	1.8
109.10160	4.6
111.04454	0.9
111.08091	2.2
115.03941	1.3
116.04697	4.6
117.07027	2.1
119.08587	3.6
121.06494	1.4
121.10155	2.7
123.04418	1.4
123.08076	4.2
124.07594	1.0
124.08901	0.7
125.05964	0.9
125.09628	8.2
126.10351	1.0
127.11195	1.1
129.05493	13.1
129.07007	1.7
131.08575	2.8
133.05035	0.9
133.06520	0.8
133.10136	4.3
135.08102	2.0
135.11679	2.5
137.05962	4.0
137.09650	2.0
143.07027	2.9
143.10629	0.8
145.10121	2.6
147.04514	0.7
147.08005	0.8
147.11699	3.8
149.05952	0.9
149.09625	1.6
151.03918	1.4
151.14856	0.8
152.14346	1.0
153.09125	1.3
153.12692	1.2
157.08611	5.5
157.10120	2.5
163.06053	0.9
163.07440	0.8
163.11201	2.8
165.05563	0.8
165.12733	0.8
167.07037	1.9
169.04962	0.8
169.12267	0.7
169.15878	2.6
171.10156	3.1
175.07558	1.3
175.11223	2.2
177.05447	0.9
177.09206	2.0
181.12270	1.5
187.13306	1.3
187.16913	1.1
188.08020	0.9
189.11235	5.6
192.11346	1.1
193.12239	5.9
199.13319	1.8
200.14099	1.6
209.11832	1.6
209.15274	0.8
210.12491	1.5
211.13292	1.2
217.08289	0.7
227.10548	1.6
227.12805	27.0
237.02754	0.8
267.11533	1.0
267.15952	17.7
283.15369	2.4
284.16254	3.0
285.16992	2.3
295.10846	0.9
301.16492	100.0
313.11844	2.4
356.12296	1.5
373.13953	9.2
498.20090	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38599	1.1
60.81171	1.1
69.03405	4.1
69.23676	12.0
70.06577	1.4
78.80331	1.1
81.03413	1.9
82.99843	5.2
83.04897	1.4
85.01374	1.6
85.02898	7.2
86.99300	1.9
94.99837	1.9
97.02869	3.4
98.97574	3.0
101.00890	24.1
103.02400	3.6
109.02849	2.1
110.97531	1.7
113.00910	6.9
119.01945	17.2
123.04481	1.6
127.02431	19.7
127.03886	3.5
129.00275	1.2
131.01901	14.2
139.02376	5.6
143.01917	32.3
145.03484	42.0
145.04736	2.3
145.04982	2.5
146.15665	1.2
147.01312	2.3
149.02983	1.3
150.05385	1.5
153.03905	1.7
155.01913	34.5
155.71271	1.2
157.03499	18.8
158.99637	1.4
161.01759	1.5
161.02985	23.5
163.04430	3.9
167.00748	1.5
167.01935	19.2
169.03487	5.7
170.99847	1.4
171.01408	8.4
171.04974	5.0
172.09035	1.3
173.02979	46.2
174.99144	2.6
175.04507	4.3
179.01912	6.4
181.03464	1.7
183.01299	2.5
183.04945	2.5
185.02969	49.0
187.04550	6.2
189.00917	1.4
189.02371	7.2
189.05948	2.1
191.03937	4.3
197.02982	21.2
199.00893	7.6
199.04478	2.8
199.85255	1.5
201.00676	2.7
201.02394	2.8
203.04007	16.5
205.05608	1.4
209.02905	3.7
211.00876	2.2
215.04059	9.6
216.99939	3.1
217.01967	57.6
217.05151	6.0
219.01683	1.7
221.05115	7.5
227.04054	12.9
229.01772	8.5
229.05566	3.0
235.00960	1.7
235.02960	12.6
235.06590	1.7
239.06018	1.9
241.01947	1.7
241.05547	2.5
243.01556	1.7
245.05098	100.0
246.05360	1.9
247.02939	10.8
247.06720	3.0
257.05069	13.5
259.06601	1.7
261.02948	2.7
261.05789	15.9
263.06128	12.9
265.04160	1.8
273.08270	6.2
275.06155	19.0
277.04074	17.4
277.07031	2.6
286.07422	1.3
291.09045	3.5
293.07098	4.6
301.04065	13.2
303.01132	1.3
305.07208	10.4
307.08746	10.5
319.05151	26.7
319.08551	3.0
321.10379	2.4
335.07990	5.4
335.11740	1.8
337.05978	31.6
337.09763	6.3
365.09253	14.8
383.10260	2.4
439.12601	1.9
481.09549	1.7
499.11145	48.6
518.78998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
58.99831	1.0
69.03403	2.6
70.21909	4.4
81.03407	1.3
81.75896	1.0
82.99835	2.2
85.02866	2.9
94.22236	1.1
94.99799	1.5
97.02889	2.3
101.00890	19.0
103.02412	2.9
113.00854	5.0
115.02387	1.3
115.44580	1.0
119.01934	26.6
127.02441	13.0
127.03820	1.8
129.03967	1.4
131.01923	14.5
133.03450	1.5
135.44673	0.9
137.02957	1.4
139.02321	4.4
143.00890	1.8
143.01904	28.6
145.03474	45.5
147.01318	2.4
149.02881	1.2
153.03966	1.5
155.01904	29.8
157.03474	20.6
159.05070	1.1
161.01756	1.5
161.02974	24.0
163.04527	5.3
163.05646	1.2
167.01906	15.1
169.03473	7.0
171.01407	6.5
171.04950	3.7
173.02972	43.1
175.04457	3.8
179.01874	6.1
183.05034	2.4
185.02968	47.0
187.04543	6.2
189.02507	6.2
189.03838	1.1
191.03903	4.6
191.68932	1.1
197.01315	1.1
197.02963	17.7
199.00952	4.9
199.04427	3.4
201.02425	1.3
203.04002	13.6
205.05511	1.4
209.02818	3.5
211.00836	1.1
213.06009	1.1
215.04042	10.6
217.01950	51.7
217.05096	5.5
221.03088	1.0
221.05089	7.8
227.04051	12.0
229.01941	5.7
229.05504	2.7
235.02991	11.3
239.04012	1.7
239.06100	2.0
245.05090	100.0
246.05125	1.3
247.03018	10.4
247.06786	5.1
257.05090	11.8
261.05844	5.9
263.06165	14.8
264.11664	1.1
273.08148	5.4
275.06122	19.8
277.04022	18.3
277.07089	1.7
290.07565	1.1
291.09088	2.1
293.07193	6.4
301.04062	9.0
305.07156	10.5
307.08734	5.2
319.05136	25.4
319.08508	2.7
335.08276	5.7
337.05905	27.5
337.09738	7.5
365.09341	14.0
379.10522	1.9
383.10336	1.8
455.12027	3.1
481.09622	1.5
499.11011	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	499.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68781	0.8
57.03434	0.9
60.19509	0.8
65.03957	2.7
66.63720	0.8
69.03442	2.0
70.06593	1.0
71.53639	1.3
80.14950	0.8
81.03408	1.8
81.07072	1.2
85.02912	3.2
89.04929	0.8
91.05525	0.8
92.05014	3.2
95.08558	0.9
96.08135	3.5
97.02921	1.7
98.97636	1.1
100.08862	0.9
105.07052	1.0
109.06538	0.8
111.47985	0.8
119.08743	0.8
122.06030	1.7
124.07616	3.4
126.09200	8.0
138.09171	3.1
148.03961	3.4
150.05536	1.1
152.07088	27.5
166.05022	46.3
167.07071	1.3
176.03444	8.1
182.04536	9.5
194.04526	5.6
198.07849	1.7
200.10782	2.0
209.10777	0.8
212.09430	1.1
215.08281	1.3
225.10271	1.3
226.10872	1.2
227.08269	1.4
227.11812	4.2
228.10265	1.9
229.13278	1.8
233.09245	2.1
237.10225	1.0
240.08836	2.3
241.09700	1.9
253.09807	4.3
255.11295	4.0
257.09158	1.6
259.07230	2.3
261.12418	1.6
270.10016	1.4
271.10895	8.4
273.12366	2.1
283.10785	38.8
284.11279	1.1
289.11789	5.9
301.11874	31.7
305.09772	2.1
305.59753	1.0
319.12921	100.0
336.60898	1.0
337.13657	1.5
418.17242	1.4
481.18658	1.1
499.17950	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	499.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
65.03935	3.8
69.03430	1.4
69.57821	4.4
72.75667	0.7
79.05492	0.7
81.03416	1.1
81.07075	1.5
85.02925	3.1
91.05433	0.7
92.05022	2.8
95.05020	0.8
96.08134	3.7
97.02885	1.7
105.07055	0.7
119.93042	0.7
122.06034	1.5
124.07594	4.0
126.09182	8.5
127.03902	0.9
134.05988	0.7
137.05981	2.2
138.05574	0.9
138.09151	2.8
148.03963	2.8
150.05527	1.9
150.09157	0.7
152.03539	0.6
152.07085	26.6
153.01819	1.0
158.99615	0.8
161.05933	0.8
164.03468	0.8
164.39890	0.7
166.05014	46.2
176.03439	8.2
182.04530	7.4
187.08649	0.8
192.99471	0.7
194.04536	5.1
198.07861	1.2
199.08527	1.3
199.12305	0.8
200.10768	1.6
210.09010	0.6
212.09442	2.6
213.10117	1.1
215.08165	1.6
217.06749	0.7
225.10245	1.3
227.08208	1.6
227.11734	3.3
228.10208	2.3
228.12318	0.7
229.13416	1.4
229.87794	0.7
233.09221	1.9
237.10049	0.7
239.08253	0.8
240.08984	2.5
241.09805	1.3
242.10590	1.1
243.11179	1.2
245.09465	0.9
253.09799	4.9
254.08101	0.9
255.08838	1.0
255.11220	4.7
257.09225	2.9
257.12894	2.0
258.11368	0.8
259.07196	1.8
261.12436	1.5
270.09973	1.6
271.10782	9.3
272.09216	1.6
273.08691	1.8
273.12332	2.4
274.10690	0.7
275.07413	0.8
283.10803	44.3
289.11838	6.3
291.13614	0.7
293.08423	2.0
301.11862	32.8
307.06631	0.8
310.97446	0.7
319.12912	100.0
320.13202	1.2
337.07419	1.3
337.14041	1.9
379.08319	5.7
391.08456	1.1
419.11990	0.7
456.20807	0.7
481.18048	1.9
499.13440	3.8
499.19681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
62.39474	1.1
65.03938	2.7
69.03439	5.2
69.53732	7.6
70.06595	1.4
79.05502	1.7
81.03440	2.7
81.07074	1.8
83.04971	1.2
85.02903	5.6
91.05475	1.7
92.05033	3.6
96.08128	1.9
97.02900	2.2
97.06531	1.2
98.21561	1.3
98.97596	2.1
99.04488	1.4
107.08699	1.2
119.04989	1.2
122.06041	3.1
123.04388	2.0
124.07603	5.1
126.09195	7.9
127.03948	1.8
137.06033	2.8
139.03946	1.8
148.03909	2.3
150.05553	3.6
150.09117	1.2
152.07094	25.7
153.01810	1.9
158.99605	1.3
163.03908	1.2
164.06909	1.5
166.05011	53.3
167.07079	1.7
170.08133	1.6
176.03419	9.2
182.04494	8.1
194.04527	4.8
198.07864	1.2
200.10730	1.4
205.34036	1.1
212.09378	2.3
225.10220	2.6
226.11142	1.1
227.11818	4.1
228.10129	2.4
229.13281	1.8
233.09212	1.9
240.08894	2.9
243.11505	1.3
253.09717	3.7
255.11368	4.4
257.09232	4.5
259.07217	1.8
261.12433	1.5
270.10037	1.6
271.10797	8.3
272.08862	2.2
273.12363	2.5
283.10782	44.7
288.11145	1.4
289.11832	5.3
293.08441	3.4
301.11847	34.1
319.12909	100.0
337.07571	1.4
337.13943	3.1
379.08228	8.2
386.71252	1.3
391.08383	1.5
432.73199	1.3
436.44345	1.4
436.50552	1.2
481.17841	1.2
499.12766	4.2
499.19293	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	499.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.0
61.46431	0.7
67.05468	2.7
69.07034	2.5
69.57764	4.4
79.05464	1.8
79.80214	0.7
81.07069	5.9
82.12578	0.7
83.08595	1.1
90.30200	0.8
91.05445	3.0
93.07058	5.7
93.91731	0.6
95.08610	14.3
97.06498	1.0
105.07034	8.2
107.08595	15.2
109.10155	5.2
109.27751	0.7
111.08107	0.7
119.08588	16.2
121.06503	0.9
121.10152	15.0
121.75265	0.7
123.08027	0.9
123.11648	2.7
131.08534	1.6
133.10127	14.3
134.80473	0.8
135.11671	4.9
137.09535	2.0
145.10036	2.5
147.11678	10.5
149.09540	2.4
149.13280	3.6
151.11179	0.8
157.09976	0.9
159.11632	1.8
161.09564	1.2
161.13283	3.7
162.50703	0.7
163.14766	1.5
165.09003	1.1
167.10693	10.3
171.11589	1.3
173.13176	2.0
175.14754	2.9
177.12628	1.1
183.10049	2.1
187.14813	1.1
189.16383	40.6
190.16565	0.7
193.15886	10.4
203.14217	2.1
203.17865	1.1
205.15758	1.8
207.17256	1.3
214.83450	0.7
217.15895	0.8
218.77649	0.8
221.15434	4.4
223.16699	0.8
232.52603	0.7
233.18842	2.4
235.16678	1.1
249.18269	0.9
257.18903	1.1
275.19861	2.7
277.18008	6.5
321.10837	0.7
365.04538	0.8
393.31329	0.8
411.32764	3.7
471.34363	1.6
499.33731	100.0
500.34128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3783
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
52.16634	3.2
52.46399	3.8
55.05513	10.8
62.34140	3.6
63.62445	3.5
67.05499	18.3
69.07069	17.3
77.65118	3.3
79.05492	9.7
79.82058	3.4
81.07061	49.0
83.05002	3.7
83.08617	7.6
91.05461	8.1
93.07050	36.5
95.04960	4.2
95.08615	63.4
97.10185	3.6
105.07040	31.2
107.08604	42.7
109.06537	10.9
109.10157	36.0
111.11726	5.4
119.08579	39.1
121.06503	5.4
121.10142	32.7
123.08087	11.0
123.11716	22.9
131.08578	9.2
132.36147	3.8
133.10133	36.9
135.08009	6.3
135.11687	46.3
136.05309	3.8
137.13249	12.8
145.10143	20.5
147.11710	28.9
149.09644	5.8
149.13297	9.7
151.14857	3.3
157.10149	10.0
159.11700	19.5
161.09596	6.5
161.13271	16.2
163.11182	4.9
163.14786	7.6
171.11739	9.0
173.13261	16.4
175.11259	8.4
175.14827	26.9
177.16385	3.9
183.11761	4.8
185.13297	8.4
187.14874	17.4
189.16391	25.8
191.17969	12.8
193.15948	5.8
199.14822	10.7
201.16367	10.9
203.17984	33.3
211.14735	3.6
213.16422	11.9
215.18051	5.4
217.15955	21.4
219.17484	27.2
221.18982	17.8
227.17989	4.0
231.17424	28.5
243.21159	4.9
245.19147	3.8
247.20528	6.3
249.18526	7.0
261.22119	10.3
267.21194	3.4
285.22134	11.7
287.23691	5.5
299.23605	4.5
311.23550	5.1
403.33374	9.7
421.34662	45.3
431.54242	3.5
439.35675	15.5
463.35593	8.9
481.36786	57.2
499.37906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3782
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
52.15796	0.4
53.03943	0.5
53.08386	0.4
53.30515	0.4
55.05508	2.7
55.73518	0.4
56.92380	0.4
57.07060	0.8
57.35660	0.3
59.05002	0.4
67.05507	3.2
69.03420	0.9
69.07067	3.7
70.01070	0.4
70.86385	1.2
71.04976	0.5
76.02629	0.4
76.58188	0.4
79.05492	2.4
81.07059	9.3
83.04984	5.9
83.08616	1.9
86.98050	0.4
91.05466	3.4
93.07042	7.2
95.04977	0.9
95.08609	16.4
97.06522	1.0
97.10178	1.7
98.21455	0.4
105.07033	10.1
107.08598	12.0
108.09753	0.4
109.06532	0.7
109.10160	7.7
111.08121	0.8
117.07063	0.8
119.08585	10.0
121.06518	1.3
121.10136	8.3
123.08099	0.8
123.11698	4.0
125.09651	1.3
129.07039	0.6
131.08554	3.1
133.10126	8.2
135.08044	2.1
135.11694	7.9
137.09682	1.0
137.13260	1.3
139.07571	0.7
142.07713	0.5
143.08575	1.9
145.10123	3.6
147.08098	0.8
147.11707	6.3
149.09615	3.8
149.13264	3.7
155.08601	0.7
157.10167	2.0
159.08072	0.6
159.11665	2.7
161.09628	2.8
161.13243	4.9
163.11255	0.7
163.14822	3.1
169.10136	1.0
171.11732	2.2
173.09671	1.1
173.13275	3.3
175.11230	1.8
175.14815	6.9
177.12769	0.5
177.16388	5.7
183.11687	0.6
185.13275	1.8
187.11150	0.8
187.14781	3.6
189.12741	0.6
189.16385	7.7
191.17935	4.2
197.13313	0.5
199.14896	1.2
201.12755	0.7
201.16364	2.2
203.14357	2.4
203.17950	6.9
207.17432	0.6
211.14755	0.6
213.16406	1.9
215.18074	0.6
217.15900	1.5
219.17444	0.9
221.18982	2.5
227.17960	1.0
229.15877	0.8
231.17450	2.4
231.74699	0.4
235.16922	0.5
241.19626	0.8
245.19051	0.8
247.16904	0.5
249.18483	3.1
257.18939	0.5
257.22678	0.6
267.21118	1.2
271.20718	0.6
273.22186	1.3
277.18066	1.2
285.22217	1.8
303.23154	1.5
410.09555	0.5
421.34839	1.6
439.35852	1.8
469.36880	0.7
481.36880	5.3
499.37891	100.0
500.37915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
55.46852	1.2
67.05522	6.1
69.07057	5.8
71.53594	1.8
74.06476	1.2
79.05009	1.2
79.05495	4.3
81.07068	14.6
83.04992	1.3
83.08613	2.0
84.03512	1.3
87.31692	1.1
91.05485	6.4
93.07047	13.4
95.08608	27.1
97.06497	1.3
97.10152	2.2
100.36165	1.4
101.23891	1.2
102.37959	1.2
105.07043	18.5
107.08615	14.7
109.06525	1.6
109.10178	12.6
111.08102	5.8
116.80083	1.3
117.07011	1.9
119.08585	32.7
121.10131	8.8
123.08114	2.0
123.11749	2.6
131.08604	6.1
133.10136	20.2
135.08138	1.2
135.11691	8.3
143.08607	2.3
145.10141	5.2
147.11694	21.6
149.13283	2.7
153.80177	1.4
157.10150	4.9
159.11711	5.5
161.13269	6.5
163.14845	2.3
171.11745	1.2
173.13318	2.1
175.14812	2.1
177.16408	2.4
185.13226	1.3
187.14845	8.7
189.16396	100.0
191.17990	4.2
199.14882	5.5
203.14398	1.5
203.17973	4.2
205.15880	11.7
207.17610	6.0
213.16405	1.5
215.17929	1.6
217.12299	2.4
217.15910	11.7
231.17445	1.6
235.16943	49.8
249.18517	14.0
249.76683	1.3
376.39557	1.5
407.29272	1.3
421.34897	2.5
439.35907	14.2
471.25803	1.4
481.36707	4.3
499.38541	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01879	5.0
55.05517	22.9
57.03443	20.6
57.58456	1.9
60.97709	1.8
65.03954	2.3
65.17677	2.0
67.05174	3.7
67.05512	51.4
68.58917	1.8
69.03411	4.1
69.07066	15.5
71.01354	5.8
71.04988	6.6
76.62278	1.9
77.42767	1.8
79.05062	3.4
79.05497	51.6
81.03423	60.9
81.07061	38.8
83.04974	22.5
83.08620	19.8
85.02920	17.8
85.06538	3.7
85.54321	1.9
91.05486	41.7
93.06470	3.7
93.07047	54.9
94.49952	1.8
95.04976	27.2
95.08620	18.2
97.06539	14.5
97.10172	11.1
99.04447	3.0
99.08107	3.4
105.07031	21.3
105.22756	1.8
107.04955	7.9
107.08601	32.0
109.06496	3.8
109.10165	8.3
111.08083	8.9
117.07008	7.1
119.08589	25.7
120.69954	1.9
121.06496	4.8
121.10163	16.6
123.08118	3.6
129.07021	8.0
131.08562	10.1
133.06522	3.0
133.10126	13.5
135.11711	48.6
137.09601	4.2
145.04971	2.8
145.10153	9.9
147.08067	3.3
147.11676	10.3
149.09625	6.5
153.12843	2.8
157.10159	14.9
163.11206	7.1
165.12811	2.5
175.11188	11.3
181.12256	11.5
193.12253	40.7
211.11310	4.2
211.13307	69.0
255.15930	100.0
267.15924	19.6
277.83206	2.2
285.14038	1.6
285.16965	40.7
390.65790	2.0
395.31625	2.2
447.27518	40.3
447.33484	1.4
465.28540	80.9
500.31436	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21954	3.1
55.01846	3.7
55.05500	4.7
56.96564	6.9
57.03422	9.0
57.59103	3.0
58.27466	3.2
61.02645	4.1
61.02928	46.8
67.05491	6.1
69.03440	15.3
69.63856	17.6
70.50499	2.9
73.02915	27.4
78.50554	2.9
79.05507	10.8
81.03411	11.2
81.07047	13.6
83.25453	3.2
85.02908	100.0
91.03960	54.3
93.07035	4.2
95.01321	28.7
95.08606	12.7
97.02893	53.8
98.21481	6.4
98.97602	3.8
99.04436	4.0
101.02390	3.8
103.03943	5.7
105.07032	10.9
107.08614	13.3
109.02901	6.9
109.10193	7.8
113.02387	4.4
119.08561	17.9
121.10165	5.2
123.04440	3.7
123.08108	5.1
123.11729	3.7
127.03905	45.2
131.08571	9.2
133.10127	12.4
137.09612	5.3
139.03923	13.2
141.01825	88.7
145.04955	57.3
145.10141	13.1
147.11688	5.8
149.13232	3.9
159.02847	15.7
159.11739	5.0
161.13226	4.8
163.06029	86.2
163.07539	16.6
171.11678	3.7
173.13266	37.2
175.14822	6.0
177.03973	4.3
189.16350	6.2
191.14313	6.5
193.12175	4.2
201.12740	8.7
210.30070	3.1
217.15952	3.4
233.15402	18.7
235.16949	25.1
251.16461	11.0
267.09119	10.5
269.10550	16.6
285.10092	10.5
287.11673	7.6
334.14075	3.6
401.12408	4.6
427.11206	3.6
501.35791	14.9
521.26685	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	501.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.05523	4.8
57.03431	8.1
61.02930	49.4
62.52035	2.2
67.05497	9.6
69.03427	15.6
69.07066	9.8
70.04449	9.7
71.01335	2.1
71.05019	6.4
73.02920	19.8
79.05489	5.9
81.03413	8.0
81.07071	18.1
83.04987	4.8
83.08647	2.6
85.02908	100.0
85.06518	2.1
91.03963	57.9
91.05476	6.3
93.07037	11.7
95.01334	35.7
95.04979	3.1
95.08614	18.5
97.02891	44.4
97.06547	4.4
97.10157	4.9
99.04467	6.7
99.08097	2.6
103.03947	6.1
105.07059	12.4
107.08584	11.0
109.02877	8.5
109.06506	3.1
109.10190	10.1
111.08065	2.5
113.02386	3.9
115.03928	4.1
119.08569	10.1
121.10168	10.1
123.00955	2.1
123.04496	2.9
123.08071	2.3
123.11691	4.4
125.09630	3.9
127.03921	43.9
131.08595	4.9
133.06480	2.6
133.10146	8.8
135.11679	7.7
137.06032	2.9
137.09595	3.4
137.13251	2.9
139.03911	5.4
139.11249	3.5
141.01828	94.5
142.96939	2.1
143.08557	4.0
145.04965	57.1
145.10149	8.9
147.11713	5.8
151.03893	2.5
157.10155	3.3
159.02905	17.2
159.11690	6.0
163.06032	88.8
163.11191	4.4
173.13298	6.5
175.14824	4.6
177.03954	3.8
187.14767	3.1
201.12732	4.1
219.13721	2.6
224.07072	2.6
224.45743	2.0
232.45482	2.0
233.15421	2.5
236.07069	11.9
277.20108	2.0
285.10291	2.6
303.07214	2.8
303.23026	2.3
321.08261	2.6
349.11823	6.9
465.28680	5.2
501.16333	7.2
501.22968	2.9
501.31793	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	501.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32816	2.8
61.02007	2.9
61.02926	40.6
66.94337	3.1
67.05500	3.1
69.03415	9.7
70.69945	3.0
70.70284	8.2
73.02914	20.9
81.03434	4.9
83.01333	3.4
85.02906	100.0
90.35538	3.4
91.03965	53.2
95.01342	28.6
97.02892	46.3
98.20712	2.8
99.00803	3.4
99.04424	3.8
103.03954	6.7
109.02859	4.9
113.02350	3.3
119.08527	3.5
127.03916	45.9
139.03854	4.3
141.01837	100.0
145.04955	58.2
154.88377	2.7
159.02887	18.1
163.06018	87.0
177.03995	6.5
228.78249	2.9
306.55133	2.7
370.29099	2.7
381.97461	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	501.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61718	3.3
56.57922	3.1
57.03445	3.9
59.23936	3.2
60.68423	3.2
61.02931	41.8
65.07788	3.2
67.05532	4.6
69.03432	10.1
69.84624	7.8
69.85033	11.1
73.02919	22.2
80.54298	3.1
81.03431	6.1
82.84941	3.6
85.02434	6.5
85.02912	94.2
91.03969	60.1
95.01355	24.0
97.02901	48.1
99.04421	3.8
103.03960	6.6
105.07043	4.5
113.02361	5.9
127.03935	34.5
141.01836	100.0
145.04962	45.7
159.02901	15.5
163.06015	78.6
177.04008	4.3
307.78674	3.9
322.26215	3.3
347.16800	3.7
396.63193	3.7
501.31760	4.3
516.02399	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	501.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	4.4
61.02927	48.3
67.05492	4.1
69.03411	9.5
73.02917	23.5
79.05445	3.1
81.03407	6.8
81.07050	7.1
85.02909	98.8
91.03418	5.7
91.03960	69.9
91.05489	3.0
93.07049	5.5
95.01329	35.6
95.08609	6.9
97.02297	3.3
97.02898	51.8
98.21702	4.5
99.00796	3.0
99.04457	5.3
103.03890	4.6
105.07014	5.3
106.38416	2.4
107.08576	2.6
113.02409	3.3
115.03925	4.6
118.21778	2.5
119.08588	3.4
127.03932	44.7
131.08560	3.5
133.10103	3.8
141.01830	100.0
145.04970	63.5
145.10118	3.7
159.02887	21.7
161.13107	2.6
162.14722	2.6
163.06018	94.0
173.13263	4.5
230.02873	3.5
303.07318	4.2
321.08447	3.9
392.06979	3.0
437.30524	2.9
480.27771	2.6
501.31979	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	501.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59875	2.8
57.03440	7.0
61.02930	46.0
69.03413	11.3
69.89637	7.3
69.90026	9.3
73.02896	21.5
81.03418	3.4
85.02911	100.0
85.03435	4.8
91.03962	58.0
95.01328	31.6
97.02893	46.8
98.21487	3.7
101.02356	4.3
103.03959	5.0
104.74598	2.8
107.10066	2.8
109.02878	5.4
113.02364	5.3
127.03921	43.5
139.03908	6.8
141.01830	98.5
145.04962	52.7
159.02928	10.8
163.06020	90.9
177.03989	6.7
215.14554	2.9
279.46408	3.9
285.09924	4.3
288.92975	3.0
321.08130	3.1
375.11386	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	501.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23085	2.4
53.03938	3.7
55.05503	5.3
57.03434	4.3
58.05372	2.3
61.02931	41.4
63.73101	2.5
67.05502	5.3
69.03439	14.8
69.07069	6.5
71.01348	2.5
71.04993	3.7
71.33809	3.7
73.02927	22.1
74.35149	2.6
76.72124	2.6
77.36383	2.3
79.05502	3.3
79.35065	2.2
81.03411	9.9
81.07059	13.8
83.01345	3.0
83.04983	4.7
85.02912	100.0
89.68128	2.5
91.03962	60.4
91.04528	3.8
91.05475	8.2
92.77253	2.3
93.07046	10.3
95.01343	37.3
95.01900	5.2
95.04959	4.7
95.08600	10.5
97.02904	53.7
97.06553	3.8
97.10163	6.9
99.04448	7.1
101.02364	3.8
103.03945	6.6
105.07013	10.0
107.08595	8.9
109.02876	6.5
109.06509	2.9
109.10142	6.9
112.83141	2.5
113.02361	3.7
115.03927	5.2
119.08578	7.9
121.10144	8.6
123.08050	3.1
123.11725	5.5
127.03928	45.5
131.08595	4.8
133.10135	9.6
135.11681	7.0
137.06012	3.0
139.03914	12.4
141.01839	99.8
145.04970	64.4
145.05954	1.4
145.06125	2.5
145.10124	5.0
159.02921	15.7
163.03944	4.8
163.06029	95.2
163.07420	4.7
175.14876	3.2
189.45160	2.8
191.10591	3.1
203.14403	3.2
298.66132	2.7
303.07196	3.1
303.23126	4.0
306.79773	3.2
321.24551	3.8
437.30402	2.9
465.28564	3.1
501.22577	3.2
501.31134	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	501.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80341	2.8
54.78162	3.1
57.03423	6.7
61.02927	43.7
67.05483	8.2
69.03413	9.0
69.85761	7.1
69.86172	11.1
73.02930	20.2
75.70171	3.1
79.05476	6.6
81.03396	3.8
81.07063	4.7
85.02903	100.0
91.03954	62.2
91.05457	5.0
93.07008	5.4
95.01331	30.0
95.08603	12.4
97.02883	51.4
105.07018	7.3
107.08576	8.5
109.02910	4.9
109.06548	3.9
109.10155	4.4
115.03954	3.4
119.08566	7.6
121.10112	6.2
127.03910	47.4
131.03346	4.5
131.08586	6.5
133.10153	3.9
135.11661	3.5
139.03896	3.6
141.00742	5.1
141.01830	93.3
145.04964	54.9
147.11674	5.1
159.02901	19.1
163.06015	89.2
209.43846	2.9
321.08124	4.8
427.83371	3.6
458.58783	4.4
465.30154	6.3
483.30945	6.2
501.32181	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	501.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92407	3.2
57.03436	5.7
61.02651	3.6
61.02930	47.5
61.85388	2.4
63.40623	2.4
67.05463	2.7
69.03423	11.4
69.07076	3.5
70.93240	2.4
70.97454	3.5
71.01359	4.2
73.02916	23.0
74.24880	2.6
79.05465	3.5
81.03398	5.1
81.07033	3.5
85.02911	99.5
91.03414	3.7
91.03950	52.6
93.07018	4.3
95.01337	31.8
95.08618	4.5
97.02287	3.4
97.02891	45.4
99.00792	3.4
99.04430	3.4
103.03928	7.2
107.08574	3.1
107.51389	2.6
109.02875	7.4
109.10183	3.6
114.80375	2.3
121.10104	3.5
123.11655	3.1
127.03929	41.9
129.84251	2.8
131.87790	2.7
139.03931	7.2
141.01833	100.0
145.04959	64.8
159.02885	14.6
163.06017	79.5
173.13380	2.6
175.42122	2.7
176.15021	2.5
215.16177	2.7
235.41646	2.4
283.65152	3.1
303.07132	3.0
321.08221	3.3
484.10718	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	501.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86757	0.3
55.05521	0.6
56.62115	0.4
56.96574	0.4
58.02146	0.3
59.67063	0.3
61.02915	1.4
63.86916	0.4
67.05506	1.3
69.03431	1.3
69.07060	1.4
69.54349	2.5
71.04994	0.7
73.02905	0.9
79.05482	1.0
81.07079	1.8
83.04984	0.5
85.02913	5.3
85.06554	0.6
88.52876	0.4
91.03957	1.5
91.05482	1.2
92.14086	0.4
93.07050	1.5
95.01336	1.4
95.04973	1.0
95.08616	1.8
97.02898	2.7
97.06551	0.9
99.08088	0.5
105.07040	2.3
107.08615	3.3
109.02893	0.7
109.06517	0.9
109.10172	1.7
110.32529	0.4
111.08067	1.0
119.08606	1.6
121.06536	0.7
121.10123	1.9
123.08041	0.7
126.37653	0.4
127.03897	1.8
131.08606	1.0
133.10123	1.7
135.08080	1.0
135.11743	1.0
135.93562	0.3
137.05986	1.5
137.09602	1.3
139.11116	0.4
141.01814	3.6
143.08551	0.6
145.04988	2.2
145.10133	2.0
147.11694	1.1
149.09644	0.8
149.13342	0.9
153.01846	0.5
153.09094	0.4
157.10143	0.5
158.14276	0.4
159.11711	1.4
161.05957	0.4
161.13400	0.7
163.06020	3.1
163.11244	0.5
163.14828	0.9
167.06996	0.7
171.11763	0.8
173.13348	0.7
175.07568	0.6
177.05524	0.9
177.16397	1.6
187.07611	0.5
187.14822	2.4
197.13161	0.5
203.05299	0.9
203.06998	0.5
205.15852	2.3
215.14389	0.6
233.15353	0.6
251.16435	10.9
281.11411	0.5
289.08963	0.7
297.10373	0.4
321.24493	0.8
339.05298	0.4
341.99454	0.5
349.11063	5.8
355.17297	8.9
452.67206	0.5
465.28766	0.5
501.23111	100.0
502.23267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83496	0.3
67.05503	0.5
69.03441	0.6
69.07053	0.4
70.56123	0.3
71.33289	0.3
73.03509	0.4
81.07063	0.7
85.02895	0.9
91.05486	0.5
93.07037	0.8
95.08626	0.4
97.02905	0.5
105.07065	1.0
107.08543	0.5
109.10210	1.0
121.10157	0.8
131.08525	0.5
135.11604	0.5
137.05917	0.5
139.11133	0.3
141.01796	0.6
145.04939	0.4
145.10130	0.4
147.11588	0.4
149.09685	0.5
151.11131	0.4
187.41791	0.3
193.12050	0.4
203.05278	0.5
251.16489	0.9
303.23386	0.5
322.60452	0.4
328.85040	0.3
349.11047	5.8
349.58600	0.3
355.17264	9.6
465.52029	0.4
501.23087	100.0
502.23389	1.2
516.33643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61266	0.4
55.05526	0.4
61.02919	0.5
67.05502	0.6
69.03436	0.9
69.07068	0.6
70.97942	0.5
70.98277	0.5
73.02911	0.5
79.96696	0.3
81.07066	0.9
85.02921	2.2
85.06539	0.4
91.03996	0.7
91.05493	0.7
93.07057	0.9
95.01344	0.7
95.08608	0.5
97.02886	0.9
98.21528	0.4
105.07063	0.8
107.04919	0.4
107.08622	1.5
107.65935	0.4
109.02866	0.4
109.10174	0.6
119.08633	0.9
121.02835	0.4
121.10162	1.1
127.03939	0.7
131.08577	0.6
133.10094	0.9
135.11745	0.6
137.05986	0.8
139.03828	0.4
141.01859	1.4
145.04991	0.9
145.10101	0.9
147.08064	0.4
147.11691	0.5
149.09636	0.4
159.11714	0.5
161.06026	0.7
161.13368	0.6
163.06093	1.2
167.07112	0.7
177.16466	0.5
177.35777	0.3
187.14865	1.0
203.05270	0.8
205.15877	0.6
249.77660	0.4
251.16460	4.1
269.08597	0.4
289.08920	0.7
349.11148	6.9
355.17264	9.0
501.23129	100.0
502.23187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05502	0.8
56.96573	0.3
57.03436	0.3
61.02919	0.6
67.05500	1.8
69.03416	1.3
69.07067	1.6
70.75069	0.8
71.05001	0.5
73.02912	0.6
79.05496	1.0
81.03429	0.7
81.07050	2.3
81.87177	0.3
83.04976	0.9
83.08604	0.4
85.02907	2.1
85.06548	0.6
91.03939	0.5
91.05484	1.3
93.07050	1.8
93.66582	0.3
95.04957	1.0
95.08612	2.4
97.02895	0.8
97.06525	0.8
97.10176	0.5
99.04474	0.3
99.08076	0.4
105.07018	1.9
107.08595	2.4
109.02863	0.9
109.06503	0.4
109.10163	1.4
111.04476	0.4
111.08091	0.6
117.07002	0.3
119.08593	1.6
119.38741	0.3
121.06493	0.5
121.10120	1.6
123.04420	0.5
123.08074	1.0
123.11723	0.7
125.09685	0.4
127.03915	1.2
129.07039	0.5
131.04939	0.4
131.08574	0.9
133.05225	0.3
133.10156	1.6
135.08076	0.6
135.11699	0.6
137.05960	0.8
137.09663	0.6
139.03923	1.0
139.11133	0.7
141.01866	1.1
145.02908	0.4
145.04941	0.8
145.10117	1.4
147.04350	0.3
147.11667	0.9
149.09612	0.3
149.13287	0.4
151.04010	0.5
151.11241	0.6
153.01862	0.8
159.11731	1.0
161.06042	0.6
161.09631	0.5
161.13115	0.3
163.03941	0.5
163.06029	1.1
163.11218	0.9
165.12883	0.4
173.09607	0.5
173.13263	0.4
175.14845	0.6
177.05527	1.1
187.11235	0.4
187.14830	0.4
189.12723	0.3
191.14207	0.3
203.05292	1.2
207.13708	0.4
219.13853	0.3
239.87819	0.3
239.90181	0.3
275.07330	1.5
292.11362	0.3
303.23337	0.7
306.69370	0.3
321.24210	0.4
335.09476	14.2
336.34027	0.3
339.12625	0.4
365.10471	0.4
369.18954	5.1
412.88986	0.3
465.29977	0.4
483.30487	0.5
501.23093	100.0
502.23288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.6
55.01863	10.4
55.05274	3.9
55.05519	62.7
57.03437	6.9
57.07064	5.8
61.02920	9.4
65.03932	2.7
67.05511	37.5
69.03440	30.1
69.07076	60.8
69.25541	22.3
71.04980	10.1
71.08623	2.2
73.02914	6.8
79.05504	28.0
81.03421	36.3
81.07066	100.0
83.05003	11.9
83.08641	16.4
85.02916	35.5
85.06540	14.5
86.03194	2.9
87.04509	3.1
91.03943	6.4
91.05482	32.7
93.06474	3.8
93.07053	61.1
95.01331	4.3
95.04983	25.3
95.08618	86.0
97.02913	21.6
97.06538	22.1
97.10178	93.4
97.33065	2.4
98.97588	4.7
99.04442	7.2
99.08085	7.6
105.06396	4.8
105.07043	57.8
107.04932	5.7
107.08607	52.6
109.02892	34.8
109.06532	16.3
109.10173	54.4
110.03214	2.4
111.04446	6.8
111.08099	15.8
111.11716	9.6
115.03908	3.2
115.05520	2.7
117.07005	6.7
119.04950	3.7
119.08594	47.8
119.80325	2.4
121.06501	8.5
121.10144	47.1
123.04451	5.7
123.08096	12.9
123.11720	52.5
125.06013	3.8
125.09653	28.0
127.03934	32.6
127.11128	2.8
128.06252	3.2
129.06981	6.3
131.08607	20.9
133.06517	3.3
133.10143	30.1
135.08112	13.5
135.11708	23.3
137.05991	8.4
137.09621	13.2
137.13246	8.3
139.03946	14.8
139.07585	3.0
139.11186	31.6
141.01828	16.0
141.09094	3.0
142.07803	2.7
143.08551	10.3
143.10681	25.7
145.04985	13.0
145.06409	4.2
145.10144	24.9
147.08029	7.9
147.11707	28.4
149.05989	3.2
149.09590	10.0
149.13261	21.3
151.07573	5.1
151.11208	11.3
151.14793	3.3
153.09120	3.9
153.12740	7.9
155.08592	3.6
155.10674	4.8
157.10159	11.1
157.12245	13.1
159.02940	3.7
159.08066	10.4
159.11697	25.2
161.05992	5.3
161.09630	10.8
161.13300	16.0
163.03932	4.1
163.06036	13.8
163.07489	5.5
163.11192	9.3
163.14807	6.0
165.09142	7.5
165.12770	8.9
167.07080	3.3
169.10184	5.4
171.10332	3.7
171.11705	10.8
173.06120	2.5
173.09651	4.7
173.13275	18.9
175.07587	5.3
175.11174	10.3
175.14848	33.5
177.09135	4.1
177.12744	8.3
177.16420	4.1
178.60960	2.6
179.10739	5.0
179.14284	3.4
183.10178	2.4
183.11700	4.0
185.09625	3.0
185.13278	7.0
187.07559	3.0
187.11147	8.4
187.13329	2.7
187.14865	8.5
189.09166	4.3
189.11201	9.5
189.12747	11.4
189.16368	4.1
191.14310	7.1
193.10063	2.9
193.12335	2.5
193.15942	3.1
199.14816	4.6
201.12779	5.0
203.10649	3.7
203.12698	5.9
203.14384	9.9
205.12309	2.5
205.15854	6.5
211.11232	3.3
213.12730	5.3
215.14307	4.2
215.17862	3.5
217.12253	2.4
217.15892	3.9
219.01750	3.7
219.13843	4.7
221.15302	4.0
223.16962	3.0
229.15930	3.2
231.13919	4.7
233.15379	6.0
233.58453	2.5
235.16954	2.9
245.15283	3.9
247.17027	3.7
248.01245	2.5
249.14864	8.9
251.16336	5.6
253.18028	3.4
267.21127	5.2
275.23672	5.2
285.22171	7.0
291.23480	4.1
303.23154	28.6
315.14465	5.2
321.24246	26.2
339.25259	5.9
378.21378	2.7
405.26257	3.8
411.25327	5.7
429.26416	17.6
435.27960	3.0
447.27505	36.3
453.28143	2.9
465.28534	51.8
483.29852	24.9
501.17264	31.7
501.31503	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	502.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	1.6
55.05514	1.9
56.05027	0.7
57.03439	2.0
57.07101	0.7
61.02935	2.8
67.05511	4.1
69.03436	9.0
69.07075	2.2
70.04083	100.0
71.04993	1.6
73.02933	1.8
73.06563	1.4
75.34096	0.6
79.05502	1.7
81.03432	3.4
81.07054	4.2
82.06582	1.1
83.04953	1.1
85.02911	21.1
85.06561	2.7
87.04459	1.5
91.03992	0.7
91.05479	1.7
93.07050	2.9
95.04988	1.2
95.08595	5.0
97.02903	6.7
97.06521	1.4
97.10201	0.8
99.04491	1.9
105.07054	2.2
107.08614	1.8
107.60274	0.6
109.02888	3.5
109.06548	1.5
109.10180	3.2
113.09644	0.6
115.05475	0.9
115.64120	0.6
116.06242	1.0
117.07053	0.8
117.13048	0.6
119.08601	1.9
121.10189	1.5
123.04465	1.1
123.08051	0.7
123.11695	1.0
125.01550	6.8
125.05979	0.6
125.09701	1.0
127.03923	5.5
128.06216	1.2
129.06993	0.6
133.10132	3.0
135.08121	0.6
137.05986	0.8
137.09621	6.4
138.99445	3.9
139.03065	0.8
142.07796	2.9
145.04982	2.8
145.06567	0.7
145.10185	1.2
151.03079	3.8
151.11192	0.6
154.09761	3.3
155.08626	1.5
155.10587	0.7
156.78334	0.6
157.00546	1.5
161.09642	1.4
161.13106	0.6
163.03067	4.7
163.11177	0.6
164.11839	0.6
165.09138	7.1
167.08630	1.0
169.10179	0.9
170.10974	2.6
175.03099	1.7
175.14725	0.7
177.04518	6.1
179.02650	0.6
179.10692	0.6
182.11153	0.6
183.10156	0.8
184.10829	18.3
186.11346	1.8
205.07799	13.1
207.10022	1.0
225.11319	0.8
235.08838	3.5
250.07468	1.0
274.11041	8.4
278.10950	1.0
292.12244	1.1
304.12134	16.3
305.17584	0.9
309.13437	2.4
322.13229	20.2
340.14267	19.6
340.18469	0.9
346.16223	0.9
374.68018	0.7
455.78641	0.7
466.17490	20.3
484.18515	26.3
484.25415	1.4
502.19434	8.5
502.34259	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	0.8
55.05516	1.5
57.03439	1.5
61.02928	2.1
67.05508	2.5
69.03431	6.4
69.07068	1.8
69.26823	1.8
69.27248	1.6
70.04079	100.0
71.04994	1.1
71.46062	0.4
73.02919	1.0
73.06564	1.5
79.05505	1.1
81.03423	3.1
81.07061	1.6
82.07413	0.4
83.01319	0.4
83.04978	0.4
85.02909	17.4
85.06550	2.1
87.04475	1.2
91.03970	1.0
91.05482	0.7
93.07057	1.4
95.04977	0.5
95.08588	2.9
97.02895	5.9
97.06530	1.2
98.97604	0.5
99.04462	1.1
105.07061	1.4
107.08604	0.8
109.02887	2.2
109.06570	0.5
109.10136	0.5
113.09650	0.8
115.05477	0.8
116.06232	0.5
119.08568	0.8
121.10210	0.5
122.10507	0.4
123.04425	0.6
123.08120	0.5
123.11756	0.5
125.01547	6.8
127.03922	4.3
128.06247	0.6
129.07002	0.4
130.07819	0.4
130.61984	0.3
133.10179	0.7
134.30487	0.4
137.06012	0.5
138.99461	2.7
139.03114	0.9
141.01033	0.6
141.06973	0.8
142.07779	2.3
145.04958	3.2
151.03064	3.7
154.09775	2.5
155.06056	0.5
155.08580	1.5
161.09641	0.5
163.03075	4.9
165.04755	1.1
167.08485	0.4
170.10924	2.2
173.13278	1.1
175.03174	1.0
175.11203	0.4
176.03877	0.5
177.04572	3.6
181.04207	0.5
182.11018	0.5
184.10825	15.6
186.11345	0.6
205.07791	6.2
207.99294	0.5
217.07706	0.6
235.08827	3.2
250.07462	0.9
258.93530	0.4
264.21432	0.5
274.11053	6.9
286.11111	0.4
304.12115	13.4
322.13187	20.0
340.14255	18.1
340.18399	0.7
346.16281	0.6
359.31659	0.4
466.17401	16.0
467.17126	0.4
484.18475	28.6
502.20166	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01867	0.6
57.03429	1.2
61.02928	0.8
69.03435	4.9
69.86185	0.4
69.86483	1.7
71.04999	1.6
73.02930	0.7
81.03423	7.3
84.96038	0.3
85.02905	2.1
87.04472	0.5
91.05500	0.4
93.07079	0.4
97.02895	3.7
97.59074	0.3
98.97601	0.5
99.04477	1.7
106.06580	0.6
114.89107	0.3
115.03967	0.3
118.06508	0.6
120.08089	0.5
127.03899	0.8
132.08246	0.4
133.07590	0.9
135.09195	1.9
145.05035	0.4
145.07620	1.8
146.06029	0.7
146.08398	2.0
147.09172	3.0
153.01855	0.4
161.07114	43.2
163.08719	1.4
173.07118	9.5
174.07845	0.7
175.08669	3.0
176.05855	0.6
187.08681	0.6
189.06601	10.4
191.08171	23.3
198.07858	0.5
199.08679	0.5
201.10330	0.7
203.08173	2.8
207.07672	7.1
213.10228	0.7
217.09651	0.4
229.09750	0.4
233.09241	0.4
241.09644	1.5
245.09216	0.9
251.14026	0.6
259.10809	2.1
269.09134	0.5
277.11880	3.5
278.61356	0.3
287.10312	2.0
295.12918	9.8
299.06427	0.4
305.11353	6.5
323.12387	100.0
324.12677	0.9
341.13452	6.7
420.52853	0.3
503.17047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37299	0.4
51.55223	0.4
53.03956	2.8
55.01879	1.9
56.67694	0.4
57.03441	2.6
59.04994	0.9
61.02927	3.2
69.03432	18.7
71.01341	0.6
71.04996	5.5
71.20466	0.4
71.53529	0.5
72.08138	0.4
73.02898	1.8
81.03420	21.8
83.01347	0.6
85.02908	17.9
87.04449	1.5
91.03970	0.9
97.02898	7.0
98.97569	1.7
99.04464	6.8
109.02879	2.8
110.97596	0.6
111.04438	0.8
117.05470	1.9
121.10157	0.5
127.03233	0.4
127.03929	3.9
128.98582	0.6
133.07593	2.8
134.06017	0.9
135.09212	0.5
137.05963	1.7
139.03906	1.0
145.04965	3.0
149.09639	1.1
153.01836	4.4
154.02205	2.2
158.99670	0.6
160.07532	0.8
161.07112	6.1
163.08681	4.8
167.07202	0.5
169.59273	0.4
178.07434	0.7
179.08177	1.5
189.06613	5.3
191.08179	5.1
191.14290	0.5
205.05946	0.5
206.06880	0.8
207.07655	99.6
208.08014	0.9
219.07785	0.8
221.09323	0.4
229.74146	0.5
231.11337	0.8
245.09131	0.5
249.08698	1.8
259.10730	0.5
287.10245	0.8
298.06229	0.5
303.12476	0.4
305.11285	2.6
323.12381	30.7
335.09827	0.4
341.13446	100.0
342.13870	0.8
443.15872	1.4
503.21512	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.33137	2.4
55.05514	4.5
57.03453	3.1
67.05493	6.1
69.03426	7.9
69.07063	6.2
69.53582	14.2
70.67189	2.5
71.04998	4.1
79.05503	5.3
81.03435	2.4
81.07073	17.2
82.40404	1.9
83.04992	6.0
85.02912	4.5
85.06539	3.5
91.05479	5.2
93.07052	9.2
95.04965	2.2
95.08624	12.9
97.02906	3.7
97.06531	2.4
99.08113	4.1
105.07021	9.4
107.04994	3.2
107.08617	25.2
108.53827	2.1
109.02894	2.9
109.06559	5.8
109.10165	16.3
117.07000	3.1
119.08604	4.9
121.06512	2.8
121.10165	22.5
123.08052	4.1
123.11715	6.5
125.09657	7.4
127.03857	2.3
131.08580	3.4
132.14616	2.1
133.10147	38.2
135.08058	9.1
135.11687	6.3
137.06088	2.5
137.09630	21.3
139.11171	3.3
145.10126	6.1
147.11732	6.1
149.09631	6.7
149.13286	15.5
151.07564	8.1
151.09984	3.1
151.11191	53.4
163.14862	5.7
165.12753	3.2
167.07071	35.2
173.13281	17.3
181.08612	11.7
191.14330	61.5
193.08698	3.3
203.14252	2.5
205.08669	7.4
209.15385	100.0
230.06641	2.6
503.18765	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	503.2488
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.01873	3.9
55.05503	4.1
57.03440	7.9
59.04985	1.1
61.02922	4.5
63.72229	1.0
67.05500	4.9
69.03432	12.1
69.07065	1.7
70.06595	1.3
71.01361	1.5
71.04988	3.8
71.54697	1.3
71.55066	1.2
72.08136	1.5
73.02918	16.7
79.05487	4.8
81.03403	2.3
81.07063	3.0
83.04980	3.5
83.08610	1.5
85.02911	21.3
85.06525	3.8
86.09712	2.3
87.04462	4.3
91.05475	5.4
93.07053	6.0
95.04984	2.3
95.08608	19.3
97.02892	14.0
97.06536	6.5
98.97568	2.2
99.04491	1.3
99.08125	1.2
101.69724	1.1
103.03947	1.5
105.07030	11.9
107.08599	16.9
109.02869	1.4
109.06509	2.6
109.10136	6.6
115.03941	10.0
119.08574	3.4
121.06496	1.7
121.10134	6.6
123.04429	1.8
123.08105	1.7
123.11686	2.5
124.03994	2.0
125.09677	2.1
127.03939	7.0
131.08580	6.3
133.04997	8.1
133.10135	100.0
135.08055	20.8
135.11685	2.5
137.05997	3.4
137.09624	5.0
143.08528	1.4
145.04967	4.0
145.10165	3.7
147.11687	3.9
149.09631	5.7
149.13298	3.3
151.11211	5.8
153.09067	1.4
158.10875	3.2
163.11183	1.8
163.14815	3.2
165.12740	1.7
167.07051	2.4
173.13278	27.8
175.14838	1.3
191.14313	69.5
193.15916	3.8
209.15352	28.5
233.15344	2.9
299.09317	1.3
305.17651	1.6
323.18500	1.9
341.19559	4.8
371.20905	2.1
443.13669	1.4
494.56375	1.1
503.19839	16.3
503.26025	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	503.2489
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
52.61626	1.0
53.03913	0.9
58.98875	1.0
61.02917	1.0
67.05500	1.7
67.27326	1.1
69.03428	6.4
69.07027	1.0
69.46957	7.5
79.95059	0.8
81.03400	2.7
81.07054	2.2
83.04986	2.5
85.02903	11.3
87.04427	1.0
91.05510	1.1
93.07020	1.9
95.04961	2.0
95.08585	3.0
95.19308	0.9
97.02896	2.3
105.07036	1.3
107.08607	5.9
109.02849	1.4
109.06507	4.1
109.10185	2.2
119.08522	1.6
121.10134	7.4
123.08070	2.9
123.11677	1.9
125.09673	0.9
127.03899	3.6
131.08588	1.3
133.10138	8.6
135.08047	1.4
137.09628	6.1
137.13228	1.5
145.04993	2.6
147.11687	2.8
149.09590	4.1
149.13235	4.2
151.11194	12.3
163.14841	2.5
165.12764	27.2
173.13284	4.0
191.14291	17.2
200.09010	1.0
205.75996	0.9
209.15372	100.0
371.20667	2.5
379.61819	1.2
503.19467	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	503.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.88622	0.8
57.03431	0.7
61.02928	2.2
67.05527	1.2
69.03442	6.8
71.05000	0.9
79.05495	0.9
81.03432	3.9
81.07053	2.0
82.64134	0.8
83.04963	2.5
85.02917	13.4
91.05542	0.8
93.07070	1.5
95.04978	2.5
95.08607	2.8
97.02889	4.0
99.04455	1.2
105.07039	2.1
107.08615	6.0
109.02888	1.4
109.06540	3.1
109.10171	1.5
115.03830	0.8
119.08594	2.5
121.10170	6.4
123.08073	2.7
123.11727	1.4
127.03928	1.7
131.08580	1.0
132.73035	0.7
133.10167	1.8
135.08054	1.2
137.09666	6.1
145.04987	3.0
147.11703	1.4
149.09631	6.4
149.13283	4.0
151.11192	11.7
165.12772	32.2
173.13329	1.9
191.14333	13.1
192.33044	0.8
193.15916	1.7
209.15390	100.0
302.41940	0.9
316.78793	0.9
342.55969	0.8
347.96130	0.8
371.20584	3.2
443.13510	1.3
503.20770	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01880	3.2
55.05524	13.4
57.03441	5.2
57.07077	4.8
58.73954	1.5
58.89981	1.6
59.04997	2.3
61.02934	4.0
65.03952	1.4
67.05177	2.1
67.05516	30.3
69.03437	23.6
69.06724	2.8
69.07077	33.2
70.04102	3.5
71.01346	1.9
71.05005	25.4
71.53503	2.4
72.95686	1.5
73.02934	2.1
74.99973	1.5
77.03935	1.7
77.31548	1.4
79.05508	32.0
79.05967	2.3
81.03427	9.1
81.07069	58.6
83.04988	6.9
83.08623	9.1
85.02916	31.1
85.06551	7.9
87.04471	4.1
91.05495	16.3
93.07056	67.0
95.04982	6.3
95.08619	38.5
97.02335	1.3
97.02875	8.4
97.06522	7.5
97.10183	3.9
99.04469	4.6
99.08133	2.0
100.11275	1.7
103.05484	1.4
105.07046	21.8
106.07377	1.4
107.04990	3.1
107.08609	36.4
109.02909	3.2
109.06525	5.9
109.10172	69.3
111.08092	5.7
111.11749	5.5
117.07034	1.5
119.08588	19.5
121.06535	4.2
121.10159	100.0
123.08071	4.8
123.11720	15.6
125.06006	4.3
125.08739	2.4
125.09641	24.3
125.13239	3.0
127.03925	7.3
127.07596	1.8
127.11214	27.1
128.81158	1.4
130.07849	2.2
131.08577	3.9
133.06456	1.4
133.10184	10.0
135.08102	4.0
135.11716	30.9
137.09607	7.9
137.13289	3.9
139.07585	3.0
139.11192	8.2
143.08580	2.2
143.10780	2.3
145.04970	3.5
145.10141	19.0
147.11700	7.8
149.09595	2.5
149.13268	4.6
151.07600	1.6
151.11218	5.3
153.12764	9.9
157.10190	3.3
159.11703	6.1
161.09610	4.8
161.13292	6.1
163.11195	24.5
163.14870	2.3
165.09119	3.5
165.12778	4.3
166.11838	1.5
169.12201	9.1
170.53522	1.5
171.11644	1.7
173.13316	5.2
173.14883	1.4
175.11255	2.0
175.14879	2.8
177.05537	2.0
177.16519	1.5
179.10719	2.0
181.12262	32.7
187.13286	2.1
187.14862	2.9
187.62769	1.5
189.16438	2.4
191.14276	3.6
199.13280	2.1
203.17990	2.1
211.17012	4.7
213.16382	4.0
217.19496	2.3
227.17931	2.0
269.22708	3.5
287.23743	6.0
293.24823	5.9
305.24753	22.4
311.25876	4.1
323.25806	22.3
341.26962	5.1
431.27823	1.7
503.24564	4.8
503.33716	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01871	3.2
55.05515	52.4
56.13720	2.5
57.03439	2.4
57.07067	3.6
65.03957	2.2
67.05510	73.5
69.03433	8.5
69.07070	31.3
71.04984	6.8
71.53497	3.1
79.05500	41.9
81.06584	4.5
81.07065	84.9
83.04980	6.7
83.08622	36.7
85.06539	5.4
85.98134	2.3
87.47345	2.2
87.85643	2.1
91.05491	28.4
93.07050	41.8
95.04959	3.3
95.08614	71.0
97.06525	6.8
97.10179	63.7
105.07041	23.6
107.04980	5.3
107.08607	41.8
109.06514	4.4
109.10162	43.6
111.08073	6.9
117.07014	9.0
119.08595	21.0
121.10157	29.6
123.08046	3.5
123.11710	13.5
125.09637	51.2
129.07013	3.6
131.08578	13.4
133.10159	19.1
135.08032	9.0
135.11708	23.2
137.09610	4.9
137.13248	5.4
139.07603	2.7
139.11198	4.0
142.11226	2.6
143.08548	3.2
143.10686	4.2
145.10139	15.6
147.11676	13.5
149.09628	7.4
149.13272	7.1
151.14876	2.6
151.96962	2.2
153.09122	18.8
155.10654	2.1
157.10146	3.8
159.11702	14.5
161.09598	4.3
161.13261	12.2
163.11151	3.5
163.14803	3.9
171.10185	6.3
171.11588	4.7
173.11879	4.5
173.13304	8.0
175.14851	7.5
179.14275	3.8
183.11713	3.0
185.13293	3.9
187.14828	7.3
189.11235	46.1
189.12633	2.3
205.15872	3.9
231.82744	2.3
234.03209	2.3
243.21190	10.5
247.16728	2.8
257.19067	5.0
261.22159	26.7
265.21622	3.2
275.20078	17.2
279.23221	100.0
281.14990	2.4
293.21127	21.9
297.24271	72.7
311.22144	6.4
395.29453	3.2
413.30542	11.9
421.31488	3.1
431.31616	69.3
449.32657	57.5
467.33743	27.8
485.32565	8.1
503.26428	3.2
503.33984	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	503.3733
Annotation	Nebrosteroid C
Peak:m/z	Relative Intensity
55.05510	10.7
57.07072	3.5
61.36406	3.1
67.05520	17.8
69.07073	27.7
69.35670	29.9
71.08635	4.2
75.34116	3.5
79.05502	12.1
81.07061	56.6
83.08624	12.9
91.05496	7.2
93.07053	26.1
95.05003	4.6
95.08611	100.0
97.06585	6.2
97.10179	9.6
98.21541	7.5
105.07034	19.3
107.08591	44.3
109.10157	53.9
111.08071	24.2
111.11723	4.6
119.08595	32.4
121.10143	43.9
123.08091	8.1
123.11716	51.1
125.09554	3.6
131.08598	7.1
133.10139	29.6
135.08041	4.7
135.11693	40.0
137.13234	30.3
139.11157	3.4
145.10115	18.0
147.11720	18.8
149.13245	16.6
159.11714	22.5
161.13254	14.3
163.14822	15.6
173.13278	12.7
175.14783	19.5
177.12878	4.5
177.16403	13.4
187.14854	13.0
189.16382	30.0
191.17975	8.2
201.16376	32.6
203.17995	13.5
205.15799	4.5
207.17477	40.9
219.17482	20.2
221.19017	4.6
223.16904	7.5
225.18642	3.8
229.19681	5.4
243.21100	4.2
255.21097	7.4
257.22647	7.4
283.24408	4.4
301.21716	7.5
303.22958	3.5
315.23257	8.0
345.24237	12.5
346.78351	3.2
379.33722	27.1
397.34644	7.8
407.33139	8.9
411.09564	3.7
425.34100	35.3
443.34906	7.7
457.36710	5.2
467.35272	4.0
485.36169	25.8
503.37332	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.3
57.07066	5.3
57.43294	2.2
65.64493	2.5
67.05513	17.9
67.06620	2.1
67.75593	2.7
69.07069	17.1
69.21178	10.0
69.21607	14.1
79.05477	8.3
81.03418	4.4
81.07059	45.5
83.08612	7.6
91.05456	8.7
93.07041	19.7
95.04960	4.8
95.08607	100.0
97.06528	5.4
97.10153	5.8
105.07052	14.9
106.71904	2.2
107.08601	26.2
109.06484	4.6
109.10159	31.6
111.08092	71.8
111.11743	2.9
119.08587	31.3
121.10145	23.9
123.08073	13.5
123.11708	16.3
126.30947	2.9
131.08536	6.6
131.86031	2.3
133.10147	22.1
135.08075	3.2
135.11691	23.8
137.09631	3.0
137.13237	36.0
145.10144	14.5
147.11713	12.9
149.13260	15.7
151.14853	4.6
157.10065	3.0
159.11711	17.4
161.13220	9.2
163.11253	3.2
163.14861	5.2
173.13255	6.9
175.14841	11.9
177.16386	5.8
187.14827	4.4
189.16382	49.7
191.17914	11.2
201.16408	20.7
203.17981	15.5
205.15913	2.6
207.17448	73.8
217.15868	7.7
219.17442	13.5
235.16916	10.7
263.19934	2.7
307.22510	4.1
371.74744	2.5
375.25232	8.1
397.34534	8.3
407.32828	4.3
425.34192	11.1
480.29749	2.8
485.36185	41.6
503.37515	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	503.3736
Annotation	Nebrosteroid C
Peak:m/z	Relative Intensity
55.05516	10.7
57.07079	8.3
67.05501	17.4
69.07066	16.2
71.08636	4.5
74.26054	3.6
75.84702	3.7
79.05487	17.6
81.03445	4.8
81.07063	44.7
83.08633	6.3
91.05474	16.0
93.07054	27.3
95.04955	4.6
95.08620	41.3
97.10204	6.2
105.07036	38.5
105.77074	3.6
107.08615	54.9
109.06518	4.6
109.10168	51.3
111.08067	4.2
119.08601	33.0
121.10148	41.6
123.11727	42.1
125.05981	4.5
131.08560	6.5
133.10143	58.3
135.08066	5.1
135.11757	19.3
137.13292	7.2
139.07526	4.1
139.11191	4.2
145.10114	9.3
147.11693	26.8
149.09634	67.9
149.13278	16.5
151.11176	36.2
153.09140	6.1
159.11668	5.5
161.13242	17.5
163.11179	4.5
163.14868	12.2
167.10704	37.7
173.13304	8.6
175.14839	42.2
177.16426	11.4
187.14838	5.8
189.16377	19.5
191.17958	7.3
193.12204	7.3
193.15953	5.6
195.13850	5.3
201.16414	5.7
203.17984	51.6
205.16034	5.2
217.19574	4.1
219.17500	8.0
221.15480	4.8
221.19057	4.6
229.19569	5.8
237.18486	10.7
247.20560	6.1
259.24091	5.1
290.40704	4.2
307.22736	44.0
335.25885	6.0
407.33099	7.0
413.33945	11.1
425.34140	40.4
449.33945	6.3
467.35217	5.3
485.36374	100.0
503.38239	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	504.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01879	9.3
55.05505	2.1
57.03425	2.0
57.07080	7.4
59.05004	2.6
61.86415	1.5
67.05494	6.1
69.03441	8.9
69.07081	8.5
69.30197	12.6
70.02943	7.8
71.04973	4.2
71.31287	1.5
72.04524	22.8
72.08170	2.4
73.02918	12.2
74.71618	1.5
81.03417	20.3
81.07066	3.0
83.04994	6.2
85.02912	13.0
85.06547	9.3
86.09697	8.6
87.08112	3.5
90.05558	35.4
93.46603	1.3
94.66833	1.4
95.04973	11.1
96.08151	2.7
97.02903	13.4
98.02419	18.7
98.97593	5.1
99.04472	5.8
100.03986	6.7
103.07587	2.4
105.07059	1.7
109.02879	27.3
112.07640	2.3
113.06006	5.6
115.03954	1.6
116.01678	6.0
116.03468	19.8
124.07595	27.3
127.03928	11.7
130.08775	1.7
132.06583	10.9
133.10162	1.9
137.05998	3.0
138.05502	2.7
139.03915	5.8
142.08646	19.9
145.04965	7.2
157.05023	1.7
160.04272	6.5
160.09741	6.5
163.03932	1.6
166.08621	4.6
172.09715	3.5
174.11295	4.7
177.00931	1.7
181.05081	2.2
184.09706	31.8
187.06039	2.1
198.07652	5.3
199.06032	3.9
202.10753	100.0
211.09688	11.0
214.81145	1.5
216.08664	6.8
217.07039	3.5
219.13753	1.9
220.11813	23.2
230.10229	15.1
231.06729	2.3
234.09727	9.6
244.11896	3.9
262.12878	21.5
310.12955	9.2
311.09583	2.5
322.14978	2.1
328.13913	60.1
346.15060	8.2
364.16003	21.0
430.11987	1.6
504.20557	9.1
505.22458	4.7
528.60773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2647
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05508	2.4
62.83363	1.5
64.10113	1.6
67.05508	8.9
69.03459	2.7
69.07066	5.0
69.21749	3.5
69.22152	12.8
71.04990	2.3
76.98003	1.6
81.07059	7.1
83.04973	5.5
83.08627	4.4
85.02887	2.5
93.07054	3.3
95.08620	14.9
97.26073	1.8
105.07026	3.5
107.08639	10.4
109.06509	3.7
109.10175	51.8
111.08096	4.5
119.08594	23.6
121.10130	4.8
123.08080	5.0
123.11712	2.8
133.10144	13.5
135.11702	61.5
136.52765	1.8
137.09637	11.6
149.13254	3.8
151.11232	2.5
151.14848	6.1
153.12724	1.5
175.14827	26.7
193.15909	47.1
211.16945	100.0
373.22037	2.7
489.82507	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	505.2647
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03950	3.4
53.21258	3.0
55.01872	6.8
55.05523	19.4
57.03463	7.4
57.07077	10.4
61.02933	4.2
67.05514	29.4
67.88928	3.2
68.19602	3.1
69.03442	24.7
69.07076	51.8
70.06461	5.7
70.06851	8.7
71.04984	6.9
73.02914	13.0
79.05489	16.9
81.03445	3.6
81.07065	83.2
83.04980	8.5
83.08602	15.0
85.02906	46.3
85.06525	10.0
86.09710	7.5
86.85782	3.0
91.05489	22.0
93.07050	67.4
95.04968	14.5
95.08611	67.7
97.02928	18.5
97.06539	9.4
97.10176	6.7
99.08086	31.9
105.06411	3.3
105.07054	36.1
107.08600	66.0
109.02883	4.2
109.06522	8.9
109.10154	55.1
111.08091	10.0
111.11720	5.6
113.09618	4.6
115.03931	7.6
117.07014	5.9
119.08578	67.6
121.06500	4.7
121.10147	58.8
123.08081	7.2
123.11720	38.3
125.09626	5.1
127.03928	10.6
127.07559	3.2
128.07274	3.1
131.04942	3.6
131.08537	8.5
133.04950	10.1
133.10138	88.3
135.08015	5.7
135.11694	41.2
137.06018	5.3
137.09610	10.4
137.13301	17.1
143.10628	3.8
145.04941	9.1
145.10141	8.3
147.11714	15.8
149.09619	4.9
149.13274	97.1
151.07735	3.5
151.11186	10.1
153.12698	5.2
155.10622	3.5
157.10207	4.9
159.11646	6.3
161.13226	5.4
163.06027	4.9
163.11171	9.6
163.14838	5.9
165.09126	16.3
167.14294	6.8
173.13272	5.0
175.14841	100.0
177.16338	7.8
179.10712	3.5
185.13309	4.4
189.16406	5.3
191.17993	3.9
193.15857	41.4
202.28076	3.2
203.18002	3.7
211.15094	6.1
211.16956	66.0
220.98770	3.7
271.24286	6.9
289.25330	9.8
299.23361	3.3
307.26349	18.8
325.27344	7.9
367.05551	3.2
391.72604	3.6
505.26395	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
52.07821	0.9
55.05503	4.1
57.07079	1.4
59.05009	1.1
67.05504	6.8
69.03419	4.1
69.07068	8.4
69.96323	4.1
71.04990	2.1
81.07062	9.3
83.04977	7.0
83.08607	4.0
83.74449	1.0
85.02897	1.8
85.06537	2.3
93.07059	5.6
94.75609	1.0
95.08617	21.0
97.02903	1.1
97.10187	2.2
99.08090	3.2
105.07039	2.7
107.08604	13.3
109.06512	4.3
109.10163	62.4
111.08073	1.5
119.08590	25.9
121.10139	5.7
123.08067	8.2
123.11681	4.9
125.09606	1.3
133.10139	14.3
135.11697	69.8
137.09621	9.7
139.11128	1.1
149.13258	6.2
151.11230	5.7
151.14804	9.5
153.12723	3.0
165.16429	1.3
175.14828	30.2
191.72552	1.3
193.15891	53.1
208.48418	1.1
211.16939	100.0
233.35692	1.0
373.22226	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	505.2645
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03940	1.1
55.01873	7.7
55.05505	4.6
57.03440	15.8
57.07081	1.0
59.04992	3.3
61.02920	3.9
67.05512	6.2
68.19312	0.8
69.03434	15.3
69.07066	4.6
70.04078	1.9
70.98010	1.4
70.98334	1.0
71.01343	3.8
71.04989	3.7
73.02921	16.5
79.05489	3.9
81.03422	1.8
81.07056	6.8
83.04977	2.5
83.08632	2.4
85.02904	28.5
85.06524	4.3
87.04465	3.5
89.32873	0.8
91.05472	2.8
93.07046	12.7
94.97840	0.8
95.04962	10.0
95.08614	14.5
97.02892	14.9
97.06560	1.3
98.97596	2.9
99.04472	4.9
99.08094	62.9
102.60172	0.8
103.03941	1.8
105.07052	3.0
107.08597	10.7
108.22441	0.7
109.02887	1.5
109.06531	2.0
109.10155	19.0
111.08103	1.7
112.76581	0.8
113.06005	1.0
113.09620	1.1
115.03937	11.9
119.08582	3.2
121.10156	7.6
123.04400	1.1
123.08087	1.6
123.11710	4.3
125.09644	3.1
127.03899	4.7
131.03462	0.7
133.04959	17.3
133.06451	0.9
133.10130	5.4
134.10522	0.8
135.11690	12.6
137.06000	1.0
137.09628	12.4
145.04956	5.8
147.04437	2.4
147.11606	1.2
149.09547	1.0
149.13292	1.2
153.12848	0.9
155.10675	16.7
158.99663	2.0
163.06032	1.9
165.09131	0.8
165.12798	1.3
165.16435	1.4
175.14873	5.8
177.00636	0.9
177.16364	1.3
185.03844	2.0
193.15881	23.5
194.04425	1.2
211.16937	100.0
212.17361	0.9
249.02823	1.2
252.09383	6.4
273.11807	1.9
337.20120	1.1
355.21460	1.0
373.21918	0.9
505.18384	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	505.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55982	0.8
53.03941	2.1
54.32516	1.0
55.01876	2.8
55.05271	1.2
55.05515	16.9
56.96567	1.8
57.03430	3.5
57.07088	6.1
59.04993	2.6
61.02924	1.6
62.03930	0.9
65.03934	1.3
67.05512	18.0
69.03442	7.6
69.07075	100.0
70.72646	2.3
70.72969	1.2
71.05000	5.7
71.08635	2.1
73.02904	2.4
79.05139	1.0
79.05504	11.9
81.03401	1.9
81.07064	58.0
83.04979	4.6
83.08624	9.6
85.02914	8.0
85.06568	7.6
85.10182	1.5
91.05496	7.4
93.07049	20.6
95.04967	5.9
95.08616	41.7
97.02882	4.3
97.06533	7.6
97.10158	3.3
98.97596	1.3
99.08089	6.5
101.06036	1.5
103.05471	1.3
105.06381	1.6
105.07030	16.4
106.07354	1.2
107.08601	25.1
108.08126	1.0
109.02882	1.5
109.06512	4.2
109.10162	27.5
111.08079	4.6
111.11035	1.8
111.11728	22.4
113.09692	1.2
115.03947	1.2
117.07075	1.3
119.08578	14.6
121.06534	2.4
121.10152	18.2
123.04436	2.2
123.08070	3.8
123.11712	26.6
124.07619	1.1
124.83436	1.0
125.06021	1.4
125.09635	5.7
127.03909	3.2
127.11192	4.1
129.12688	2.4
131.04881	1.3
131.08557	4.3
133.10149	10.8
135.08067	2.2
135.11716	15.5
137.05959	5.7
137.09612	4.0
137.13272	9.0
139.11198	26.8
143.08588	1.6
143.10678	2.0
145.04985	2.0
145.10124	5.5
147.04366	2.4
147.08081	1.5
147.11713	7.3
149.09648	2.4
149.13251	10.1
151.07559	1.2
151.11201	2.5
151.14786	3.2
152.07115	1.4
153.06969	0.9
153.12772	4.3
155.10646	1.9
157.10223	2.3
157.12276	6.5
159.11684	6.3
161.06003	1.8
161.09659	1.7
161.13258	5.8
163.07480	1.4
163.11183	2.7
163.14833	3.8
165.05562	1.1
165.09148	6.7
165.12758	5.1
167.07004	1.9
167.14360	2.4
173.09579	1.0
173.13277	2.3
175.07558	1.9
175.14864	7.5
177.12714	1.4
177.16374	3.1
179.10597	1.3
179.14490	2.5
181.12241	2.2
183.11728	1.3
183.13692	1.2
187.14810	2.9
189.09039	1.2
189.16406	1.8
193.15874	6.8
201.16454	1.4
203.18013	1.2
205.12347	1.7
205.15897	1.2
208.94547	0.9
211.16962	4.5
215.17955	1.1
223.16789	1.0
237.18544	2.3
263.23584	2.2
271.24042	1.5
277.25287	2.7
281.15067	6.4
281.65222	1.2
289.25281	8.4
295.26331	21.2
307.26315	38.2
325.27411	13.9
343.28497	1.6
393.31558	1.2
424.20309	1.7
487.33798	1.4
505.25055	3.8
505.35101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01871	1.4
55.05270	0.6
55.05517	7.8
57.03442	1.2
57.07080	31.6
63.65252	0.5
65.03947	1.6
67.05510	21.0
69.03436	1.2
69.07070	7.5
69.66942	0.6
71.05009	0.9
71.08638	22.2
71.11039	0.7
71.54572	1.0
79.05499	12.0
79.05962	0.6
81.03425	70.5
81.07065	22.2
83.04984	2.4
83.08624	21.9
85.06518	0.6
85.10194	12.2
91.05489	13.6
93.07048	5.2
95.04975	17.6
95.08614	22.3
97.02904	1.1
97.06557	0.9
97.10176	6.0
99.08138	0.8
99.11735	0.7
105.07041	9.8
107.04971	4.2
107.08596	3.1
109.06508	1.5
109.10160	10.8
111.04473	0.7
111.08070	4.9
111.11688	1.3
114.35033	0.6
115.05467	1.2
117.07053	1.6
119.04968	0.9
119.08585	9.0
121.06534	1.9
121.10149	4.0
123.04435	1.3
123.08102	1.2
123.11716	5.3
125.13278	0.8
128.06238	0.6
129.07007	7.5
131.08571	5.9
133.06529	2.5
133.10126	3.4
137.09642	0.9
137.13252	2.1
139.14905	0.5
142.07808	2.4
147.08072	2.1
147.11703	3.7
149.09627	2.9
151.14906	0.7
157.10158	7.9
163.11191	0.6
165.12802	1.6
165.16414	0.5
175.11209	7.4
193.12257	45.7
213.12578	0.7
220.63846	0.5
221.22789	1.0
231.13741	0.7
239.23691	7.7
249.14922	7.4
283.00006	0.7
505.38947	100.0
506.39133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.5
53.03954	3.3
55.01872	1.3
55.05513	8.6
57.03431	1.3
57.07080	30.8
57.28697	0.4
59.71487	0.3
62.23514	0.3
65.03950	1.3
67.05510	18.5
69.03431	1.0
69.07073	8.6
69.07421	0.2
71.04987	1.0
71.08637	21.8
79.05500	9.4
81.03423	64.3
81.07059	21.4
83.04994	2.2
83.08625	20.2
85.06540	0.9
85.09668	0.4
85.10187	10.4
91.05489	13.7
93.07059	4.8
95.04976	16.9
95.08616	22.2
97.02889	1.8
97.06566	0.5
97.10181	5.0
99.08092	0.7
99.11768	0.9
103.05483	0.4
105.07037	10.2
107.04973	3.4
107.08578	2.4
109.02904	0.5
109.06513	1.8
109.10168	11.0
111.04439	0.9
111.08091	5.1
111.11741	1.1
115.05461	1.1
117.07021	1.6
119.04990	0.5
119.08596	8.6
121.06496	2.0
121.10164	3.8
123.04435	1.4
123.08117	0.7
123.11726	3.0
124.99592	0.4
125.13276	0.9
128.06241	0.7
129.07016	7.7
131.08578	5.6
133.06520	2.4
133.10124	2.5
135.11740	0.7
137.09642	1.0
137.13257	1.8
138.04094	0.4
139.14861	0.5
142.07765	2.2
145.10133	1.1
147.08052	2.7
147.11717	4.8
149.09631	3.0
151.14822	0.9
157.10150	7.1
161.13286	0.6
165.12753	1.1
165.16451	0.4
175.11171	5.1
185.13374	0.9
193.12253	41.2
203.14224	0.4
205.12141	0.4
213.12787	0.4
221.22717	1.1
231.13800	0.6
239.23720	8.5
249.14876	6.4
259.20648	0.7
310.85059	0.4
393.48013	0.5
418.05789	0.5
431.34970	0.4
505.38934	100.0
506.39307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.78672	0.8
55.01852	0.9
56.96557	1.7
57.03413	1.5
61.02922	1.5
67.05517	5.0
69.03435	4.6
69.07080	5.5
70.06584	2.9
71.04974	1.1
71.53316	1.1
79.05483	2.8
81.03411	4.0
81.07056	5.4
82.06616	1.0
83.04979	0.8
84.08131	1.9
85.02911	8.6
87.04464	0.9
89.03929	1.0
91.05473	1.8
94.02932	3.4
94.06585	9.0
95.04974	3.2
96.04536	0.9
96.08122	2.2
96.46851	1.0
97.02895	4.1
98.97569	2.2
99.04463	1.6
105.07048	2.4
107.04949	1.2
107.08578	1.3
108.08120	1.5
109.02868	2.3
109.10135	1.1
110.06026	1.5
112.03960	13.0
112.07613	5.0
113.06023	1.8
116.04974	3.1
118.06561	2.2
119.04922	1.3
122.02708	1.2
122.06049	24.3
123.04436	3.7
124.07611	8.6
127.03942	1.9
131.04872	0.9
131.08525	1.2
133.10149	2.4
134.06000	1.0
137.05959	2.5
139.03905	1.0
140.07079	74.0
141.07872	0.9
144.04463	10.0
146.06015	15.3
149.09529	1.0
151.03880	1.2
152.07108	1.7
153.01865	1.1
154.08633	1.1
161.05965	1.9
161.09564	1.0
162.05545	6.8
163.03938	1.7
163.07602	1.2
167.07117	1.7
172.03954	60.9
174.05536	20.2
178.08701	1.9
179.07060	1.0
189.09052	0.9
190.05040	14.4
192.06548	3.4
204.06583	100.0
205.07056	1.4
206.04599	1.5
206.08141	39.1
207.10115	1.3
219.01768	1.8
222.07666	2.6
259.11768	2.4
267.11377	1.5
282.07861	0.9
295.10474	0.9
300.12286	1.7
313.11835	7.5
327.13342	3.6
331.12930	13.9
334.09286	1.8
336.10846	1.8
345.14478	56.8
366.11859	9.5
457.16165	1.9
468.11163	1.0
475.17075	10.3
493.18195	1.6
507.23636	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95871	2.7
55.01859	3.3
55.05502	8.5
57.03444	12.5
59.05004	3.5
65.03950	3.6
67.05494	9.3
69.03136	3.0
69.03437	34.8
69.04379	2.3
69.07076	6.5
69.35498	15.5
69.35903	6.6
71.04996	13.3
71.47124	2.6
75.04485	4.6
79.05494	6.4
81.03419	3.0
81.07053	4.3
83.05000	16.8
85.02424	4.6
85.02904	49.7
85.06545	6.9
87.04449	11.9
91.05499	14.3
93.07030	4.8
94.59622	2.6
95.04985	15.8
95.08623	13.1
96.08902	4.2
97.02888	17.9
97.06518	8.4
103.05472	16.9
105.07037	9.7
107.04948	7.8
107.08586	9.0
109.10164	23.2
110.10481	9.4
111.04433	12.1
113.05991	8.6
115.03947	15.7
115.05467	9.2
117.07011	4.9
119.04937	11.6
119.08545	5.7
121.06486	3.3
121.10136	10.1
122.03641	6.6
123.08046	3.3
123.11671	3.6
127.03914	2.8
128.06232	5.3
129.05470	8.4
129.06992	8.4
131.04941	38.8
133.04967	12.0
133.06464	13.6
133.10165	6.3
134.55939	2.8
135.04402	4.6
135.08025	3.8
135.11705	20.3
136.05182	3.3
136.12025	10.9
137.05988	100.0
137.09615	4.2
137.12357	4.8
137.13278	4.1
138.10100	2.4
141.06963	6.8
143.04916	8.0
144.05663	3.2
145.06461	10.2
146.03667	3.5
147.04419	27.0
149.06007	16.5
151.07552	78.1
153.05464	3.2
157.06473	9.7
159.04430	3.6
159.08049	3.6
160.05205	9.2
161.06062	13.9
162.06752	3.0
163.07545	57.0
165.05527	3.1
165.09108	5.3
167.07045	21.5
169.06512	4.9
171.08038	6.1
173.06018	5.5
174.06789	6.5
175.07579	32.6
175.14827	6.7
176.15187	6.1
177.05484	24.4
177.09070	14.3
177.16382	9.8
179.07066	24.0
181.08565	3.8
183.08051	3.9
185.05934	4.8
187.07521	13.3
189.09160	19.4
191.07045	30.4
193.08629	16.6
193.15947	12.5
194.16240	6.0
195.16501	2.4
195.17479	3.0
197.06017	4.9
197.09677	3.2
199.07622	13.9
201.09113	9.5
203.06995	10.8
205.08629	10.8
207.06570	3.9
207.10210	10.3
211.07614	3.8
211.16954	23.4
212.17267	16.8
213.08913	3.0
213.18373	8.7
215.07117	4.4
215.10660	6.6
217.08623	25.7
219.10117	4.8
221.08055	10.3
225.08914	2.7
229.08655	16.3
231.10172	6.2
233.07986	6.8
243.10155	6.7
247.09691	3.1
249.11304	6.4
259.09622	9.0
271.09738	4.0
275.12854	8.8
277.10828	4.5
289.10764	8.3
295.11731	3.2
307.11707	21.5
323.12692	4.1
331.15585	4.5
335.12762	4.9
477.33771	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	507.2806
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
50.77179	0.8
53.03949	1.0
54.09215	0.8
55.01868	2.2
55.05520	5.7
57.03434	3.0
61.02914	2.4
63.86194	0.7
67.05506	1.9
69.03439	6.6
69.07072	9.4
69.29082	6.7
71.04999	2.8
73.02921	5.7
79.05478	3.0
81.03412	1.9
81.07061	10.2
81.73560	0.7
83.08623	4.8
85.02440	1.4
85.02917	18.7
85.06535	2.6
87.04443	1.0
91.05476	1.0
93.07064	8.7
94.34067	0.8
95.08616	19.5
97.02902	10.1
97.10155	2.9
97.16267	0.8
99.08113	10.1
103.03967	1.0
105.07022	1.9
107.08607	22.4
109.02869	2.0
109.10188	5.7
111.08108	4.5
113.09648	1.2
115.03928	2.8
119.08599	1.0
121.10159	42.3
123.11735	1.0
125.09649	3.9
125.99576	0.8
127.03954	4.2
127.04704	0.8
133.04965	5.0
135.11702	7.5
137.13246	5.3
145.04973	4.5
149.13255	2.4
163.06038	1.9
177.16403	100.0
178.16696	1.2
193.05064	0.8
195.17461	20.6
213.18523	40.3
246.14996	1.0
259.08170	1.0
295.10461	0.9
354.46536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
50.07079	0.6
51.57877	0.6
53.03942	0.7
53.09120	0.5
55.01863	2.1
55.05510	4.5
57.03454	3.3
57.07062	1.1
61.02921	1.6
61.69506	0.7
67.05500	1.5
69.03438	9.8
69.06737	0.6
69.07076	8.4
70.92661	0.7
70.92993	1.3
71.04993	1.3
73.02921	7.1
73.15548	0.6
79.05493	3.0
81.03410	1.6
81.07063	10.0
83.08629	4.7
85.02913	19.2
85.06546	1.9
87.04454	0.8
91.05465	1.9
93.07041	8.0
95.08616	19.7
97.02293	1.1
97.02901	15.5
97.10173	4.2
99.04466	1.1
99.08106	9.9
103.03926	0.9
105.07012	2.0
107.08606	21.6
109.02879	1.8
109.10159	4.2
111.08089	4.1
111.74496	0.6
113.09624	1.4
115.03933	4.3
119.08530	0.8
121.10152	36.4
123.11695	1.5
125.09635	4.9
127.03925	6.5
133.04977	7.0
135.11696	8.4
137.13324	3.8
139.11215	1.2
139.76076	0.6
143.78926	0.6
145.04959	6.2
149.13245	3.3
163.06017	2.9
171.52061	0.6
177.16402	100.0
178.16774	0.8
195.17459	19.2
204.18480	0.5
213.18507	37.7
223.06075	1.7
241.07176	1.9
259.08145	3.1
295.10254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2807
Annotation	Foliasalacioside I
Peak:m/z	Relative Intensity
52.71470	1.4
53.03932	2.0
55.01880	3.9
55.05513	10.8
57.03447	17.9
57.07085	2.0
59.05003	4.8
61.02934	2.2
62.20319	1.6
67.05518	4.8
69.03438	68.1
69.07079	18.6
70.88136	3.5
71.05000	9.5
73.02920	4.1
75.04449	2.1
79.05502	7.3
81.03439	5.5
81.07066	15.9
83.04993	5.5
83.08630	6.9
85.02917	56.8
85.06557	9.6
87.04482	38.1
91.05488	7.1
93.07045	12.0
95.05000	1.9
95.08621	35.3
96.05314	1.8
97.02897	46.6
97.10172	7.9
99.04489	1.6
99.08100	21.0
103.05480	3.0
105.07059	5.6
107.04971	6.7
107.08604	27.3
109.02932	1.7
109.06537	2.6
109.10172	8.6
110.13686	1.6
111.08100	3.5
111.11735	6.3
111.31127	1.7
113.09652	3.6
115.03943	54.5
117.07021	2.1
119.04965	1.7
119.08614	2.1
121.10157	43.4
123.04481	1.9
123.08105	1.8
123.11726	6.1
125.09625	6.5
127.03936	4.9
133.04977	47.9
133.06480	2.2
135.11716	10.0
137.06003	5.7
137.13290	9.8
139.11194	6.0
143.48125	1.6
145.05028	4.0
149.13298	3.8
151.07585	5.4
151.14845	2.1
153.12794	5.0
161.06001	4.6
163.07607	4.7
165.05466	2.3
165.09184	2.9
167.07010	10.6
175.07562	1.9
177.16405	100.0
180.07828	2.3
181.08672	3.7
187.07489	1.8
189.09236	2.8
193.08702	2.3
195.17465	31.8
207.06532	2.9
207.10248	3.4
213.18518	83.4
221.08168	3.5
224.69714	1.9
237.18500	2.4
250.00185	1.8
261.11124	1.9
269.46313	1.9
289.10864	2.4
295.10367	2.0
303.05029	4.9
327.21832	1.7
345.22571	3.6
361.16632	2.1
375.24017	2.5
507.27966	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	507.2808
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
51.63283	1.6
51.64513	1.4
53.03943	2.8
55.01862	4.7
55.05513	8.9
56.96567	1.7
57.03423	6.8
57.03667	1.5
57.07069	4.3
59.05019	2.9
61.02923	1.7
65.03934	3.2
67.05516	15.4
69.03095	1.8
69.03438	33.7
69.07078	21.8
71.04980	3.0
71.54266	1.4
72.08163	1.5
73.02914	2.4
79.05492	8.5
81.03428	3.7
81.07066	32.8
83.04990	4.4
83.08611	6.0
85.02916	28.7
85.06523	6.0
87.04486	22.8
91.05493	9.8
93.07066	19.8
95.04956	4.8
95.08617	44.6
97.02901	26.9
97.06544	2.8
97.10158	4.5
98.97585	5.8
99.04466	3.0
99.08108	25.6
105.07017	10.6
107.04968	2.1
107.08612	26.3
109.02856	2.6
109.06536	3.6
109.10171	25.7
110.97570	1.6
111.04444	1.7
111.08090	11.3
111.11718	3.3
113.09644	2.3
115.03180	2.1
115.03945	32.1
116.98671	1.7
117.03412	4.2
119.08591	13.2
121.02855	2.2
121.06535	2.6
121.09318	3.0
121.10151	39.0
123.04424	2.6
123.08117	1.6
123.11747	15.2
125.09637	3.3
127.03927	6.2
131.04880	1.6
131.08601	3.9
133.04980	43.9
133.10146	8.2
135.11726	8.5
137.06020	11.6
137.09625	15.9
137.13286	9.8
139.03899	6.5
139.07466	1.8
139.11198	2.4
145.02867	7.0
145.05000	5.6
145.10085	4.3
147.04329	2.1
147.11694	3.5
149.06010	1.8
149.09593	3.5
149.13242	7.3
151.07549	4.3
153.05409	1.6
153.12715	2.3
155.14400	2.2
157.10176	2.2
159.11696	3.7
160.47130	1.5
161.06012	3.7
161.09634	4.9
161.13234	2.9
163.03906	1.9
163.07529	1.9
163.11143	1.8
163.14749	1.9
165.09131	100.0
167.07047	4.1
169.01859	1.8
169.04985	1.6
171.11690	1.9
173.09604	1.6
173.13318	2.8
175.07550	2.2
175.14850	5.8
177.05466	15.8
177.16411	78.5
179.00186	1.4
179.05464	2.1
179.17944	1.6
185.13326	2.3
187.14734	2.7
189.09103	1.7
189.16338	1.9
191.10744	1.7
193.15849	2.3
195.08083	1.9
195.17471	15.7
201.16435	2.7
205.12254	5.1
217.16002	1.6
219.01842	1.7
219.17409	2.0
237.02847	3.3
237.18575	2.2
259.07977	2.4
273.18530	2.3
280.14368	1.5
291.19693	3.4
291.26752	1.7
295.09872	2.8
309.20602	5.3
327.21817	1.8
365.13928	2.2
383.14978	3.4
507.18542	5.8
507.32416	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	507.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05504	1.4
57.03417	0.2
57.07074	0.4
57.98420	0.2
67.05177	0.3
67.05507	4.9
69.03440	1.3
69.07073	2.1
70.12025	0.5
70.12411	0.7
71.04980	0.8
74.53923	0.2
76.55755	0.2
79.05499	1.2
81.03403	0.5
81.07053	5.5
83.04961	1.1
83.08629	0.6
85.02890	1.0
85.06530	1.0
91.05470	1.5
93.07040	2.4
95.03648	0.3
95.04980	1.3
95.08604	6.3
97.02885	0.5
97.06517	0.9
97.10166	0.5
99.04463	0.3
99.08071	0.4
103.05482	0.3
105.07024	2.1
107.04897	0.5
107.08602	1.9
109.02885	0.4
109.06521	0.8
109.10153	7.3
110.97594	0.2
111.08047	0.7
111.11691	0.2
113.06007	0.6
116.19023	0.2
117.07047	0.5
119.04979	0.4
119.08580	3.8
121.02863	1.0
121.06496	0.9
121.10167	1.6
122.07310	1.9
123.04482	0.3
123.08077	1.4
123.11696	2.5
125.06006	0.3
125.09605	0.6
127.03965	0.5
129.06984	0.3
129.09129	0.4
131.08549	0.7
133.10107	1.2
135.08017	0.6
135.11668	0.9
137.05995	1.1
137.09618	12.4
137.13181	0.3
139.03893	0.5
139.11136	0.5
141.09140	1.3
143.10732	0.3
145.10109	0.8
147.04460	0.4
147.08006	0.4
147.11681	0.7
149.09601	1.4
149.13266	0.5
151.07585	1.4
151.14818	0.3
153.05577	0.3
153.09099	0.3
153.12715	0.3
155.10693	0.5
157.08585	0.7
157.10025	0.3
159.11700	0.7
161.09578	0.5
161.13338	0.5
163.07498	0.3
163.11168	0.5
163.14767	0.6
164.08438	0.4
165.09111	100.0
166.09435	1.4
167.07056	0.5
169.08624	0.7
171.11609	0.3
173.11812	0.3
173.13313	0.4
175.11183	0.5
177.05472	0.5
177.09068	0.5
177.12758	0.5
177.16377	0.7
179.10652	0.4
181.05019	0.4
181.08513	0.3
185.13280	0.3
187.09645	1.1
187.11197	0.5
187.14836	0.4
189.09119	0.5
190.09891	0.3
191.10774	0.3
203.10686	0.8
205.12260	2.0
207.10049	0.3
207.13580	0.3
221.15393	0.4
233.07944	0.3
233.10194	0.3
267.15979	0.4
267.19467	0.2
291.23175	0.5
309.28000	0.4
315.04135	0.3
317.21194	0.4
337.23801	1.3
443.31351	0.6
471.31030	0.7
489.31842	0.7
507.32706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.47713	0.3
55.05500	0.8
55.49377	0.3
56.64704	0.2
57.07074	0.3
58.01088	0.3
59.95671	0.2
65.03944	0.2
67.05511	4.0
68.96230	0.2
69.03432	0.6
69.07063	0.9
70.10939	0.6
70.11330	0.5
71.04990	0.2
72.79928	0.3
79.05484	1.0
81.07062	4.2
83.04972	0.7
83.08604	0.5
85.06568	0.4
86.66306	0.2
91.05505	1.2
93.07039	1.9
95.04971	0.8
95.08613	4.3
97.06493	0.5
99.08160	0.3
103.43656	0.2
105.07061	1.4
107.04978	0.5
107.08598	1.6
109.06507	0.6
109.10169	7.4
113.09644	0.4
119.08598	3.6
121.06521	0.5
121.10149	1.0
122.07345	1.7
123.04453	0.3
123.08060	0.7
123.11708	2.9
125.09602	0.4
127.11227	0.3
129.09155	0.4
131.08591	0.3
133.10182	1.2
135.08049	0.4
135.11703	0.7
137.05983	0.5
137.09627	12.8
139.07486	0.3
141.09132	0.6
145.10129	0.5
147.08051	0.4
147.11700	0.6
149.09589	1.2
149.13268	0.8
151.07603	0.4
151.11198	0.3
155.10658	0.5
157.08609	0.6
157.10025	0.2
159.11746	0.6
161.13351	0.3
165.09123	100.0
166.09431	0.9
169.08650	0.4
169.09970	0.3
177.09068	0.3
187.09612	0.5
189.12791	0.5
191.10619	0.3
191.63391	0.3
203.10732	0.8
203.14270	0.3
203.17981	0.5
205.12257	3.6
221.15504	0.3
221.19008	0.4
223.13278	0.3
245.15309	0.3
267.15985	0.4
285.17160	0.3
291.23151	0.4
307.22849	0.3
309.27734	0.3
319.22659	0.3
337.23843	1.3
355.25201	0.3
425.30338	0.5
443.31494	0.8
471.30829	0.7
489.32239	0.8
507.33221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05512	22.3
57.07079	10.4
58.50086	2.1
67.05510	33.2
69.03381	4.8
69.06718	3.8
69.07064	36.5
69.96561	10.6
71.04974	3.2
71.08620	5.8
79.05489	20.3
79.84829	2.1
81.03396	6.4
81.07059	100.0
83.04952	4.0
83.08616	25.0
85.02901	8.0
85.06557	6.2
85.10175	3.3
91.05475	12.0
93.07044	37.5
94.23742	2.3
95.04961	6.7
95.08612	91.1
97.02878	5.6
97.06542	4.3
97.10175	16.3
99.08063	4.2
104.79152	2.0
105.07027	17.9
107.08591	33.2
109.02821	3.2
109.06471	3.1
109.10160	50.8
111.08099	4.5
111.11729	13.8
113.09583	2.3
117.06998	2.6
119.08562	10.6
121.10144	29.1
122.10487	2.5
123.08073	4.7
123.11713	36.8
125.09663	4.1
125.13225	3.7
127.03907	3.8
130.07701	2.0
131.08533	3.0
133.10152	10.6
135.11687	19.8
137.09637	3.2
137.13286	15.2
139.11183	3.1
143.08623	2.4
147.11678	9.1
149.13268	35.5
151.14810	6.2
153.12721	3.9
155.10701	3.0
161.09552	2.3
161.13240	4.9
163.14844	13.9
165.09169	3.0
165.12723	4.1
167.14299	2.6
175.14819	3.8
177.16412	10.1
178.16705	4.5
189.16386	3.8
191.17886	3.5
194.69827	2.2
195.17613	2.1
203.17949	4.1
205.12267	2.7
217.19519	2.8
218.21524	2.3
250.70097	2.3
261.25693	2.8
273.25836	13.1
279.26825	14.6
291.26797	26.3
297.27826	4.1
309.27875	21.9
443.30969	2.6
465.67108	3.1
507.23923	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	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43430	4.3
51.04323	3.1
53.03943	8.0
55.05507	19.3
57.07064	12.7
67.05504	34.7
68.30594	3.5
69.03411	3.9
69.07083	31.7
69.42419	29.4
71.04978	8.2
79.05484	25.6
81.03445	3.9
81.07059	100.0
83.04991	8.8
83.08611	25.3
85.02905	12.4
85.06545	6.3
91.05465	13.9
93.07055	43.9
95.04943	6.1
95.08612	98.2
97.06551	6.7
97.10155	15.8
98.97590	4.1
99.08044	5.7
102.24730	3.8
105.07047	26.7
107.08595	35.9
107.57939	3.3
109.06511	4.4
109.10163	55.2
111.08150	5.0
111.11700	7.6
119.08568	16.9
121.06454	4.5
121.10139	39.7
123.08067	4.4
123.11703	33.6
125.09602	5.8
125.13249	5.8
127.11130	4.0
131.08546	5.8
133.10143	18.2
135.11705	30.7
137.06042	4.4
137.09605	6.7
137.13258	19.5
139.11232	4.9
145.10130	6.2
147.11667	14.1
149.09627	4.2
149.13257	31.4
151.11153	4.4
151.14809	7.5
155.10574	5.6
157.10097	5.7
159.11705	5.0
161.13245	7.5
163.11230	4.2
163.14835	15.9
165.09097	8.1
175.14764	5.0
177.16389	15.4
178.16699	8.4
183.13695	4.9
191.18008	4.8
203.18024	4.7
217.19644	6.5
228.58881	4.1
273.25769	14.0
279.26627	5.8
291.26785	17.1
309.27832	14.2
338.73920	3.5
346.77124	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	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01870	2.9
55.05513	16.9
56.96572	1.5
57.03444	2.8
57.07083	11.6
59.05005	3.0
62.55899	1.3
65.03944	2.1
67.05510	28.1
69.03436	10.1
69.07074	66.5
71.04995	5.4
71.08634	3.0
71.53478	1.9
73.02921	2.1
74.36942	1.2
79.05507	15.5
81.03425	3.2
81.07066	100.0
83.04982	2.5
83.08633	18.0
85.02912	13.7
85.06551	18.3
85.10204	1.8
86.09708	1.8
87.04504	1.9
91.05486	10.2
93.07053	34.7
95.04995	5.0
95.08620	65.9
97.02894	7.0
97.06544	7.3
97.10178	9.1
98.97602	3.6
99.04507	2.0
99.08103	14.8
103.05457	2.9
105.07040	15.5
107.05021	1.6
107.08608	39.0
109.02912	3.5
109.06509	2.9
109.10168	39.5
111.08103	12.8
111.11737	13.6
113.09674	3.1
115.03933	1.5
117.07099	1.8
119.04988	1.4
119.08596	13.6
121.02870	3.1
121.06517	1.5
121.10154	26.9
123.04419	2.5
123.08085	2.6
123.11720	34.7
125.09637	5.7
125.13280	3.1
127.03960	3.0
127.11227	4.4
127.62487	1.5
128.98642	1.5
129.06985	2.1
131.04926	3.3
131.08617	2.8
133.02943	1.5
133.05051	2.1
133.10129	8.8
135.08087	2.6
135.11722	19.4
137.05983	9.4
137.09627	4.3
137.13263	22.9
139.03952	4.4
139.11195	14.8
141.12819	1.4
143.08609	2.1
145.10117	4.7
147.04419	4.6
147.11705	11.7
149.06032	1.8
149.09671	2.1
149.13281	26.3
151.07588	3.0
151.11087	2.1
151.14844	5.0
153.01831	2.8
153.12769	14.8
155.14325	5.4
157.10118	1.9
157.12263	1.5
159.11691	2.1
161.05980	1.8
161.09589	3.2
161.13261	5.1
163.07587	5.5
163.11234	3.2
163.14859	9.8
165.09149	10.1
165.12779	6.4
166.09352	1.6
167.07089	2.3
167.14357	5.1
171.13844	5.4
173.09630	1.7
173.13147	1.5
175.07625	2.0
175.14844	3.0
177.09143	5.5
177.16405	9.8
181.15955	1.4
183.13866	3.7
185.13321	1.6
189.16327	3.0
191.06963	1.9
191.10683	3.5
191.17999	2.6
195.17502	3.6
201.14806	1.5
201.45496	1.3
203.17992	2.4
205.12331	1.6
205.19576	1.3
207.06657	2.3
208.10612	1.9
209.19061	1.9
213.07420	1.6
213.18515	4.2
217.19498	3.0
225.11234	1.3
226.11821	1.4
227.12706	2.0
231.13692	1.2
237.02716	1.7
241.13429	2.0
260.45419	1.2
261.25824	2.3
273.07544	2.6
273.25775	6.9
279.26767	7.5
285.14914	1.3
291.26831	23.7
297.27902	9.7
309.27878	26.3
316.61868	1.5
327.28891	8.1
345.17419	1.4
345.30051	1.4
363.11911	1.5
382.11356	2.6
409.77817	1.6
421.24243	1.6
468.14975	1.5
507.18115	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	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01870	2.9
55.05513	16.9
56.96572	1.5
57.03444	2.8
57.07083	11.6
59.05005	3.0
62.55899	1.3
65.03944	2.1
67.05510	28.1
69.03436	10.1
69.07074	66.5
71.04995	5.4
71.08634	3.0
71.53478	1.9
73.02921	2.1
74.36942	1.2
79.05507	15.5
81.03425	3.2
81.07066	100.0
83.04982	2.5
83.08633	18.0
85.02912	13.7
85.06551	18.3
85.10204	1.8
86.09708	1.8
87.04504	1.9
91.05486	10.2
93.07053	34.7
95.04995	5.0
95.08620	65.9
97.02894	7.0
97.06544	7.3
97.10178	9.1
98.97602	3.6
99.04507	2.0
99.08103	14.8
103.05457	2.9
105.07040	15.5
107.05021	1.6
107.08608	39.0
109.02912	3.5
109.06509	2.9
109.10168	39.5
111.08103	12.8
111.11737	13.6
113.09674	3.1
115.03933	1.5
117.07099	1.8
119.04988	1.4
119.08596	13.6
121.02870	3.1
121.06517	1.5
121.10154	26.9
123.04419	2.5
123.08085	2.6
123.11720	34.7
125.09637	5.7
125.13280	3.1
127.03960	3.0
127.11227	4.4
127.62487	1.5
128.98642	1.5
129.06985	2.1
131.04926	3.3
131.08617	2.8
133.02943	1.5
133.05051	2.1
133.10129	8.8
135.08087	2.6
135.11722	19.4
137.05983	9.4
137.09627	4.3
137.13263	22.9
139.03952	4.4
139.11195	14.8
141.12819	1.4
143.08609	2.1
145.10117	4.7
147.04419	4.6
147.11705	11.7
149.06032	1.8
149.09671	2.1
149.13281	26.3
151.07588	3.0
151.11087	2.1
151.14844	5.0
153.01831	2.8
153.12769	14.8
155.14325	5.4
157.10118	1.9
157.12263	1.5
159.11691	2.1
161.05980	1.8
161.09589	3.2
161.13261	5.1
163.07587	5.5
163.11234	3.2
163.14859	9.8
165.09149	10.1
165.12779	6.4
166.09352	1.6
167.07089	2.3
167.14357	5.1
171.13844	5.4
173.09630	1.7
173.13147	1.5
175.07625	2.0
175.14844	3.0
177.09143	5.5
177.16405	9.8
181.15955	1.4
183.13866	3.7
185.13321	1.6
189.16327	3.0
191.06963	1.9
191.10683	3.5
191.17999	2.6
195.17502	3.6
201.14806	1.5
201.45496	1.3
203.17992	2.4
205.12331	1.6
205.19576	1.3
207.06657	2.3
208.10612	1.9
209.19061	1.9
213.07420	1.6
213.18515	4.2
217.19498	3.0
225.11234	1.3
226.11821	1.4
227.12706	2.0
231.13692	1.2
237.02716	1.7
241.13429	2.0
260.45419	1.2
261.25824	2.3
273.07544	2.6
273.25775	6.9
279.26767	7.5
285.14914	1.3
291.26831	23.7
297.27902	9.7
309.27878	26.3
316.61868	1.5
327.28891	8.1
345.17419	1.4
345.30051	1.4
363.11911	1.5
382.11356	2.6
409.77817	1.6
421.24243	1.6
468.14975	1.5
507.18115	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.25372	0.9
55.05513	15.3
57.03426	3.2
57.07077	12.2
65.03930	1.6
65.17415	1.1
67.05509	58.5
69.07068	9.4
69.40781	6.2
69.41191	2.2
69.70021	1.1
71.04978	2.9
71.08631	9.1
79.05499	16.8
81.03400	3.8
81.07060	46.8
82.03722	1.2
82.32575	1.4
83.05001	2.7
83.08628	12.1
85.06523	1.4
85.10184	5.4
91.05490	12.8
93.07048	21.6
95.04993	1.9
95.08065	1.7
95.08614	26.9
96.08969	1.1
97.06530	4.0
97.10174	7.2
99.08082	1.3
105.07030	11.0
107.08610	16.4
109.06551	1.2
109.10159	27.9
111.08074	3.1
111.11741	1.4
113.09624	1.4
117.07005	3.4
119.08585	8.1
121.10163	10.0
123.11731	5.3
125.09618	3.8
131.08594	8.3
133.10130	8.0
135.07991	1.0
135.11719	8.6
137.09634	2.0
139.11163	1.2
142.07671	1.4
143.08530	1.7
145.10164	5.3
147.11700	6.3
149.09593	1.5
149.13266	9.3
157.10126	3.1
159.11697	5.2
161.13274	1.3
163.14790	1.8
173.11742	5.1
173.13194	2.5
175.14880	2.6
177.12654	1.9
187.14862	2.9
189.11226	2.1
195.13945	2.4
197.13005	1.2
203.17953	1.4
227.12822	5.3
229.14363	16.3
231.15967	1.4
239.23778	1.8
243.20903	1.8
261.22095	8.6
304.50665	1.1
317.24835	2.5
335.25766	10.7
338.56122	1.2
397.31021	2.2
415.32083	3.2
433.33273	3.2
471.34448	3.8
472.34961	3.1
489.35791	22.0
507.27142	100.0
507.40906	31.5
508.27380	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	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01871	1.5
55.05510	11.3
57.03433	2.7
57.07077	27.2
63.18877	0.9
65.03930	1.8
67.05505	39.4
67.53357	1.1
69.06734	1.2
69.07071	17.0
69.57487	3.5
69.57921	2.9
71.04965	1.8
71.08633	20.6
71.85629	0.8
79.05065	1.4
79.05498	20.9
81.03419	2.6
81.07058	48.3
83.04974	2.6
83.08148	1.4
83.08622	15.4
85.06545	2.7
85.10184	12.3
91.05476	9.6
93.07047	29.8
95.04958	2.6
95.08605	27.5
97.06549	4.5
97.10149	4.3
99.08080	1.6
99.11703	1.2
105.07019	5.2
107.08590	15.8
109.06505	2.2
109.10164	9.4
111.08083	3.8
111.11737	1.4
117.07012	5.0
119.08590	2.3
121.10126	8.6
123.11723	6.1
131.08575	4.0
133.10130	4.7
135.08076	1.1
135.11685	5.0
137.13274	1.7
139.11180	0.9
147.51796	0.8
149.13263	22.9
159.11708	8.1
174.08907	1.0
177.12784	4.6
183.68936	0.9
195.13774	6.9
202.36310	0.9
202.38310	1.0
213.14809	1.3
225.87642	0.8
239.23700	6.1
377.48962	0.9
421.99536	0.9
507.40457	100.0
508.39990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12346	1.4
53.03952	1.8
55.01879	8.9
55.05516	11.9
57.03437	17.0
57.07069	4.6
61.02917	8.9
61.25399	1.7
67.05511	17.2
69.03436	29.4
69.07076	8.8
69.61774	10.1
71.01337	3.9
71.04984	3.1
72.04523	2.1
73.02924	38.1
78.93198	1.8
79.05499	3.8
80.51370	1.8
81.03416	6.6
81.07062	39.2
83.08626	14.6
85.02911	71.7
87.04492	3.5
91.04037	1.6
91.05479	4.4
93.07050	3.9
95.04979	3.5
95.08611	45.8
97.02897	45.7
97.10184	28.0
99.04467	4.4
99.08076	3.1
103.03933	4.4
105.07034	4.2
107.08588	4.8
109.02876	6.1
109.10159	54.1
111.04469	2.4
115.03951	22.3
115.11208	8.1
119.08612	2.8
121.10178	3.8
123.11717	65.5
125.09642	2.2
127.03922	19.0
133.04964	27.1
135.11736	2.7
137.13277	18.7
139.14827	2.4
145.04973	31.7
147.11633	2.9
149.02359	16.6
149.03481	2.5
150.07622	7.7
157.04915	2.1
159.11797	1.7
163.06020	8.6
165.09096	2.0
173.13268	1.9
177.16423	4.6
179.17961	50.3
193.04977	19.3
197.19017	100.0
217.07188	1.9
223.05992	4.5
237.07564	16.6
241.07069	6.0
259.08167	7.0
275.20163	1.9
281.10275	9.1
287.20111	3.4
295.10202	4.2
305.20929	1.9
341.06500	3.2
385.09091	6.7
429.11948	12.0
473.14340	8.8
476.26877	2.1
508.21893	2.0
508.30161	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	509.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.5
55.05726	0.5
56.96563	4.4
57.03438	0.5
58.47173	0.5
67.05490	1.2
69.03419	1.0
69.07056	2.3
69.54340	3.3
69.70220	0.5
71.95264	0.5
79.05481	1.2
81.03421	0.7
81.07056	1.2
83.08600	0.9
84.96030	0.6
85.02893	1.5
91.05467	2.3
93.07035	1.4
95.08604	1.9
97.02870	0.9
97.06472	0.7
97.10168	0.6
98.06068	0.8
98.21448	1.1
98.97586	19.4
99.08060	1.5
105.07008	4.4
107.08576	1.8
109.10141	1.3
110.97556	2.9
112.99132	0.6
116.98627	5.4
119.08589	13.9
121.06540	0.6
121.10160	3.8
123.04452	0.9
127.03934	1.1
128.98611	3.0
131.60649	0.5
133.10136	11.1
134.99675	1.2
136.92184	1.8
137.05928	0.9
138.09148	1.8
140.00218	0.6
140.98572	0.7
143.00134	1.3
145.10062	0.7
146.99655	1.5
147.04387	0.8
147.11688	1.7
151.03827	0.7
153.01842	1.4
154.93230	2.8
158.99658	8.0
159.07991	0.5
161.01303	0.9
163.03859	0.5
166.08643	4.3
170.99634	2.0
172.94304	3.5
175.07443	0.7
175.14790	7.2
177.00716	4.9
185.08200	0.7
189.00705	1.3
190.95372	1.5
192.07721	0.8
196.94283	1.9
201.00740	1.2
214.95338	5.2
216.05870	0.5
219.01692	4.0
226.95328	1.6
232.96420	1.5
237.02780	3.0
238.95380	1.6
240.96854	0.6
244.96443	2.6
249.11546	1.0
250.95070	0.7
256.96448	3.6
267.12814	1.1
274.97458	8.2
285.13733	0.8
291.12610	2.6
298.97464	0.9
309.13812	2.5
311.05908	0.7
311.10376	0.6
315.12814	0.7
316.98471	8.6
329.07269	1.8
329.11215	1.2
334.99551	5.5
347.08426	1.3
347.12271	1.4
365.09323	1.0
382.57632	0.6
393.15921	0.6
411.17053	3.2
473.15945	0.7
491.11868	2.6
509.13632	100.0
510.14240	0.8
527.14771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23745	0.3
55.01866	1.5
67.05494	0.4
69.07065	0.5
69.56832	2.1
71.04995	0.6
77.73187	0.3
79.05487	0.4
85.02897	0.9
91.05461	0.4
95.08625	0.6
97.02901	0.6
98.97598	0.8
99.04530	0.4
104.85752	0.3
105.07035	0.6
108.04424	0.4
109.02887	0.5
110.06046	0.3
118.61507	0.4
120.38489	0.3
122.02710	0.3
133.10194	0.5
137.05951	0.4
138.05487	0.4
152.03476	0.6
156.08176	0.4
158.99716	0.6
160.04030	0.7
161.04716	0.5
162.05544	0.7
162.09927	0.4
167.07214	0.4
170.08356	0.4
176.07118	0.6
178.04997	1.4
182.09532	0.5
185.07161	0.7
187.05016	1.2
197.07138	0.5
199.08626	2.1
201.06599	1.6
201.10246	0.8
210.09091	0.4
211.08656	0.6
212.10876	0.4
213.06612	2.2
213.10219	1.8
215.11543	0.4
223.08810	0.4
225.06604	0.7
227.08202	3.8
227.11751	0.8
228.10513	0.5
229.07608	0.5
229.09767	2.5
231.07658	1.7
237.10271	1.7
238.08673	1.1
239.08119	0.8
240.10297	0.6
241.09763	2.9
243.07668	0.5
243.11295	0.6
244.05304	0.4
245.09196	0.5
251.08299	0.4
251.29254	0.3
255.07686	5.3
255.11292	3.8
257.09268	0.8
257.12933	1.0
259.10709	0.4
265.09735	2.4
267.07635	1.2
267.10580	0.6
269.09216	4.4
273.08707	3.4
273.11676	0.5
275.14163	0.4
283.10806	10.9
285.11969	0.6
287.10260	1.8
293.09189	5.1
301.11908	2.7
311.10300	24.1
316.98584	0.5
319.13031	1.0
329.11349	41.1
334.99597	0.8
347.12405	100.0
348.12729	1.2
429.15948	0.9
454.88913	0.4
491.16815	0.5
509.16803	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	509.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
53.92108	0.8
55.01881	1.5
55.05509	2.1
56.96558	1.0
57.03415	0.7
63.21124	0.7
65.03934	1.6
67.05509	3.6
69.03436	3.1
69.07062	3.3
71.04975	1.6
71.53645	1.0
79.05499	5.6
81.03426	2.1
81.07070	6.6
83.04992	1.0
83.08647	0.9
85.02901	2.3
85.06531	1.3
91.05490	17.5
93.07050	5.4
94.04201	3.8
95.04961	3.2
95.08614	3.3
97.02893	1.3
97.06536	1.0
98.97598	3.9
103.05460	3.4
105.07024	7.7
107.04963	5.4
107.08604	3.6
109.02910	1.3
109.06538	3.6
109.10141	3.0
111.04445	1.5
111.08060	0.9
115.05476	5.3
116.98622	1.8
117.07013	4.9
119.04962	7.5
119.08611	2.6
121.02872	3.1
121.06527	5.9
121.10170	1.9
122.03639	6.4
123.04434	1.9
123.08054	4.2
123.11720	1.6
123.14265	0.8
125.09643	1.2
127.03899	1.6
128.06235	2.9
129.07018	7.1
131.04947	7.0
131.08609	3.0
132.05774	1.2
133.02855	0.8
133.06505	2.7
133.10143	1.9
135.04413	2.0
135.08054	4.2
135.11745	2.3
136.05199	1.4
137.05986	100.0
137.09610	2.6
139.03888	0.8
139.11125	1.0
143.04962	2.7
145.02863	1.3
145.06496	3.4
145.10205	1.4
146.03650	2.0
146.07220	1.8
147.04420	3.8
147.08096	2.8
147.11752	1.9
148.05231	2.7
149.06001	6.2
149.09650	2.5
149.13292	1.5
151.03914	4.1
151.07553	41.1
151.11128	1.1
157.06523	5.6
159.04323	0.8
159.08067	1.7
159.51009	0.9
160.05235	2.4
161.05995	49.7
161.09605	10.0
161.13194	1.4
162.06760	1.3
163.07550	8.6
165.07008	2.8
165.09119	7.4
167.07076	2.6
167.08562	1.5
169.06415	0.9
173.05898	1.4
174.06737	5.6
175.07562	24.3
177.05508	2.0
177.06990	1.3
177.09088	6.6
178.05084	1.1
178.07864	1.0
179.07130	1.5
179.08572	2.6
181.06497	1.4
181.08658	0.8
181.10190	0.9
187.07559	2.5
189.09120	28.3
190.07857	0.9
191.06995	1.9
191.08630	1.8
191.10649	1.6
193.06508	1.2
193.10156	1.2
194.07320	1.1
195.08115	2.9
195.10153	20.0
199.07535	1.4
205.06532	2.4
205.08495	1.4
206.07281	1.4
207.08109	3.1
207.10147	22.4
207.12088	1.5
208.08939	1.4
209.09749	1.7
209.15382	1.5
210.06831	1.4
211.07532	1.9
213.09154	1.7
217.06595	1.1
217.10234	1.2
218.07370	1.4
219.08148	3.8
219.09944	1.1
220.08784	1.5
221.06032	1.9
221.09534	1.4
222.06786	2.7
223.07585	1.7
224.08470	1.6
225.05540	0.9
225.09160	2.6
226.06290	1.1
226.09871	0.8
227.07034	1.8
231.08125	1.6
233.05952	1.5
234.06723	3.4
235.07605	4.1
236.08199	1.6
237.02802	2.6
237.05481	1.3
237.09160	5.6
238.06244	1.1
239.07037	1.6
239.10773	2.1
241.08569	1.3
245.09706	1.3
246.10519	1.2
247.07617	2.4
248.08235	1.5
249.09122	7.0
250.06252	1.2
250.09917	1.0
251.07076	2.7
251.10745	3.5
252.07811	2.5
253.08589	5.1
255.06528	2.5
255.10316	1.5
261.09109	1.8
262.06223	1.5
262.10043	1.2
263.07117	1.1
263.10706	1.9
264.07916	1.9
265.08615	12.9
266.09250	1.2
267.10162	4.4
268.07327	2.4
269.08063	2.3
269.11798	1.6
270.08890	2.6
271.09656	1.5
273.11343	1.5
274.09665	0.9
277.08624	9.6
277.12131	2.5
279.10101	4.0
280.10999	1.4
281.08167	2.3
281.11893	1.0
282.09067	1.5
283.09695	4.6
283.12961	1.0
285.11279	9.7
287.12964	1.5
291.10208	3.5
293.08237	2.2
293.11694	1.7
294.08859	1.1
295.09634	3.0
296.10431	2.7
297.08167	1.4
297.11273	17.9
299.12827	6.2
305.11752	3.7
308.10220	1.2
309.11264	6.3
311.12814	19.5
313.10995	1.8
317.14383	4.4
323.12814	7.6
325.14438	1.9
326.28696	0.9
327.12372	1.0
329.13806	2.1
330.14529	1.2
335.13412	2.4
337.14383	18.2
341.13733	2.2
343.15421	2.9
349.14505	3.9
355.15390	14.7
367.15417	9.0
403.15442	1.0
415.15997	0.9
435.18137	1.4
449.16660	5.1
461.19547	2.3
479.20636	4.6
491.20734	2.9
509.21814	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	509.2746
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.01608	1.0
53.00305	3.3
53.03936	3.9
53.23091	1.0
55.01872	5.8
55.05266	2.1
55.05513	24.8
57.03437	9.2
57.07078	2.4
59.04990	2.2
65.03930	2.0
67.05507	28.6
69.03436	6.4
69.07068	12.2
69.18747	6.2
69.19170	4.6
71.01350	1.0
71.05003	5.4
73.02905	1.3
76.21679	1.1
79.05495	28.4
81.03421	42.7
81.07056	37.6
83.04993	10.9
83.08621	26.9
85.02912	21.4
85.06537	3.0
91.05486	39.9
93.07043	27.0
95.04972	20.5
95.08611	20.6
95.09171	1.9
97.02894	7.6
97.06553	5.0
97.10163	6.5
98.20708	2.4
99.00822	15.1
99.08080	2.4
105.07039	32.6
107.04960	10.5
107.08603	14.4
109.02889	10.3
109.06512	5.3
109.10147	10.5
111.04447	2.4
111.08076	9.2
111.11721	1.8
113.06039	2.0
115.03943	2.1
115.05457	1.9
117.07008	4.0
119.04960	1.5
119.08587	20.1
121.06505	9.0
121.10146	7.1
123.04407	2.4
123.08057	3.0
123.11716	7.2
125.09641	3.5
125.13280	1.6
127.03940	2.4
127.53474	0.9
128.06229	1.1
129.07008	5.8
131.08591	9.2
133.06531	3.3
133.09122	1.5
133.10133	29.6
135.08064	2.9
135.11737	5.6
137.05980	2.2
137.09653	3.2
137.13269	2.9
139.03964	5.4
139.07578	2.9
142.07811	1.9
143.08571	4.6
145.10138	4.1
146.52754	0.9
147.08075	3.0
147.11684	9.2
149.09589	5.0
149.13251	2.8
151.11203	8.6
151.14824	2.6
157.10139	8.2
161.09636	15.0
163.11194	3.3
163.14761	1.3
165.12781	2.4
165.16359	1.3
168.56461	1.0
171.08057	2.6
175.11176	8.7
176.50345	1.2
179.10651	7.4
189.09131	8.4
189.11172	1.6
193.12245	36.7
197.11774	2.7
207.10168	3.0
209.11742	2.3
211.13295	49.0
215.20145	1.3
219.13722	1.9
225.11232	12.8
227.12814	4.7
243.12206	1.5
267.09146	1.7
267.15903	5.5
281.13889	2.6
283.15512	2.6
293.28333	3.2
299.14920	4.1
311.10562	1.1
329.31424	1.1
347.19986	1.0
415.17056	1.9
419.14148	1.9
426.33011	1.1
491.26181	5.3
509.27490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2756
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00311	1.8
53.03947	4.5
55.01878	6.3
55.05267	2.0
55.05518	25.9
57.03448	7.6
57.07075	3.7
59.04999	2.3
64.32434	1.1
65.03955	1.9
65.82691	1.0
67.05512	43.6
69.03439	6.4
69.07071	19.5
69.41046	0.9
69.41379	8.8
71.01347	5.5
71.04984	7.0
79.05500	38.0
81.03428	42.0
81.07063	56.1
81.27032	1.1
83.04997	11.1
83.08622	26.0
85.02915	21.4
85.06557	5.0
91.05486	39.2
93.07054	31.5
95.04982	28.6
95.08612	30.2
97.02905	4.9
97.06538	7.0
97.10179	10.6
99.00851	3.9
99.04465	2.8
99.08121	1.8
103.05484	2.0
105.07046	33.8
107.04962	10.2
107.08602	25.4
109.02898	3.2
109.06526	10.8
109.10168	33.4
111.04434	4.3
111.08084	9.9
111.11745	3.6
113.06033	2.7
115.05499	2.4
117.07053	5.8
119.04959	2.0
119.08604	18.2
121.06496	5.6
121.10159	13.9
123.04475	3.5
123.07309	1.1
123.08102	5.0
123.11744	11.9
125.05962	1.5
125.09654	4.9
127.03943	3.2
127.11185	1.2
128.06230	2.1
129.07021	9.8
131.08580	8.7
133.06506	4.5
133.10139	32.5
135.08121	4.4
135.11682	5.3
137.05997	6.5
137.09669	3.9
137.13277	3.7
139.03931	1.6
139.07585	1.5
139.11197	1.9
142.07866	2.6
143.08617	4.2
145.06525	2.8
145.10132	5.5
147.04433	2.0
147.08092	4.2
147.11708	12.8
149.06007	1.7
149.09631	6.4
149.13318	4.6
151.07567	2.3
151.11186	15.1
151.14870	1.4
153.09109	1.6
153.12827	1.8
156.40010	1.1
157.10141	9.8
159.11728	2.4
161.06055	3.0
161.09641	6.0
163.07550	1.5
163.11267	3.8
165.09138	5.1
165.12880	2.4
167.07101	1.8
167.14331	2.1
169.12276	3.6
171.08160	1.7
171.11589	1.5
173.13234	1.6
175.11217	9.8
177.09117	1.6
177.12773	1.3
179.10724	4.7
181.12326	1.6
189.09174	4.1
189.11172	2.4
189.12784	1.5
191.10753	1.7
191.14375	1.3
193.12262	41.9
197.05046	1.1
197.11765	2.1
207.10191	2.6
209.11803	3.7
211.13316	46.4
219.13911	1.6
223.13403	1.4
225.11212	7.8
227.12825	2.5
243.12463	1.7
246.83200	1.2
267.15875	6.3
275.27432	2.5
281.13980	2.5
283.15384	1.4
293.28433	6.9
299.15076	3.3
311.29684	1.9
329.21194	1.4
367.22806	2.1
373.23883	1.9
385.24216	2.1
459.27408	3.7
473.32596	1.6
477.28610	1.5
481.13144	1.5
491.26300	7.5
509.27646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50913	5.1
53.03941	20.1
54.24327	5.0
55.01883	28.3
55.05520	75.0
56.96566	14.8
57.03439	32.7
59.10112	5.2
61.02928	18.2
61.24179	4.9
62.98649	4.2
65.03961	9.5
65.54974	4.8
67.05177	6.9
67.05512	99.9
69.03428	15.5
69.07075	26.2
70.78237	13.8
71.04980	23.7
72.77297	5.0
73.02921	9.6
79.05503	93.0
81.03428	60.3
81.07063	89.3
82.93090	5.1
83.04990	24.8
83.08624	42.2
85.02892	20.9
85.06570	9.4
91.03964	10.9
91.05489	65.3
93.07050	88.0
95.04975	69.9
95.08624	39.8
97.02874	15.8
97.06546	18.4
97.10178	56.0
98.97581	9.3
105.07049	53.8
107.04962	51.9
107.08615	61.1
109.06525	37.8
109.10152	22.6
110.97592	4.9
111.04443	11.0
111.08115	9.3
115.05431	6.2
117.07051	25.7
119.08611	37.8
121.06531	43.4
121.10144	44.0
123.04466	9.8
123.08095	10.7
123.11686	8.7
125.09617	49.1
127.03946	7.0
129.07007	23.2
131.08597	39.0
133.06442	7.8
133.10129	23.0
135.08124	24.3
135.11748	9.5
137.05994	6.4
139.03926	61.7
139.07593	5.5
139.11179	6.6
141.06989	9.9
143.08563	12.1
145.06497	22.2
145.10115	20.4
147.08081	16.9
147.11676	21.9
149.09644	20.3
151.03934	9.9
153.09142	6.4
155.08585	8.4
157.06473	6.1
157.10130	17.9
159.08025	12.5
159.11790	10.0
161.05986	7.2
161.09677	8.6
163.11217	22.8
167.08530	5.5
167.10704	12.7
169.10130	8.3
171.07939	5.5
171.11736	5.4
173.09636	5.7
173.13229	9.6
175.11229	7.1
185.04820	7.7
187.14896	6.0
189.11237	22.5
191.14255	6.6
193.12268	17.5
197.13225	5.9
197.74760	5.8
199.13339	15.7
201.12735	9.8
205.01675	6.3
205.12100	6.8
209.11765	18.6
211.13316	11.6
215.14290	5.2
219.13853	28.5
223.13368	8.7
227.12845	30.1
233.15419	22.3
235.13153	7.1
237.14890	7.6
267.09128	26.9
267.15945	21.9
273.14764	14.3
279.80524	4.9
283.15524	9.7
285.10135	24.5
293.17505	18.6
317.12732	7.7
339.23190	7.9
347.11615	5.2
349.21884	24.3
350.19055	5.2
357.24445	7.6
367.22751	54.8
375.11288	23.9
379.12299	20.3
383.33688	5.6
385.23734	73.2
390.65744	5.9
401.12726	10.6
403.24826	19.6
415.16821	28.6
419.13651	37.0
429.21231	23.3
441.26141	14.8
459.27551	100.0
477.28568	74.9
484.18384	9.3
491.30701	25.2
509.30722	20.9
521.14465	7.7
539.15625	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	509.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03944	1.1
54.38811	0.4
55.01873	1.0
55.05516	2.6
57.03430	0.7
57.07069	0.4
61.02934	0.5
67.05183	0.5
67.05511	6.1
69.03436	3.4
69.07080	3.5
69.86250	1.4
69.86657	0.8
71.05000	0.7
74.39204	0.4
79.05511	2.6
81.03419	2.2
81.07070	8.7
83.04971	1.7
83.08620	2.0
85.02922	2.3
85.06551	0.7
87.04475	0.7
91.05498	3.4
93.07054	4.5
95.04965	1.6
95.08058	0.6
95.08619	7.6
97.02899	1.8
97.06528	0.9
97.10172	1.0
98.97577	1.0
99.04466	1.1
99.08115	0.9
100.11250	1.9
101.06013	0.5
105.07050	2.6
107.04963	1.1
107.08608	3.8
109.02899	0.7
109.06522	1.1
109.10166	8.1
111.04471	0.6
111.08076	0.7
113.06045	0.5
115.03981	0.9
117.07014	0.5
119.08599	4.8
121.02947	0.6
121.06525	0.8
121.10159	3.9
122.07309	1.7
123.04450	0.9
123.08047	1.3
123.11717	4.2
125.09679	0.7
127.03918	1.1
131.08591	1.0
133.04953	0.6
133.10143	3.0
135.08084	0.7
135.11664	1.6
137.05968	1.8
137.09631	11.7
137.13223	0.6
139.03889	1.3
139.11252	0.5
142.07816	0.6
145.10155	1.4
147.04489	0.5
147.08066	0.5
147.11716	0.9
149.09628	2.0
149.13272	1.7
151.07539	0.9
151.11224	0.8
155.10614	0.6
159.08102	0.9
161.05957	0.6
161.09727	0.6
161.13321	0.7
163.11159	1.1
163.14841	0.7
165.09129	100.0
166.09525	0.9
167.07054	1.2
172.68752	0.4
173.13359	0.7
175.14874	0.5
177.09123	0.9
177.16438	1.6
178.16635	0.5
179.10742	0.9
182.15437	0.8
187.13271	1.0
187.14839	0.5
189.09145	1.0
189.12817	0.9
191.10709	0.5
193.12267	0.8
193.24060	0.5
197.13257	0.5
197.19102	0.8
201.09172	0.4
201.11191	0.8
201.16382	0.5
205.12274	5.3
209.11707	0.4
210.15086	0.5
211.13322	1.2
219.01801	0.7
226.19238	0.6
245.15428	0.7
321.24243	1.4
339.25464	1.5
347.22403	0.6
445.32767	0.6
473.32269	1.0
491.26251	0.7
509.17282	4.3
509.27228	5.9
509.34537	2.4
509.40637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01870	6.1
55.05269	2.2
55.05518	29.2
57.03437	7.3
57.07082	13.4
59.05016	2.2
61.02932	3.4
61.77000	1.6
64.39811	1.7
67.05512	41.4
69.03436	5.3
69.07078	51.5
69.11824	1.7
71.01342	2.2
71.05010	4.1
71.08635	4.1
71.54150	2.3
72.74277	1.8
74.36014	1.7
79.05502	24.0
81.03439	15.1
81.07069	100.0
83.04980	7.2
83.08633	32.5
85.02917	13.5
85.06554	10.6
91.05483	20.8
93.06493	1.8
93.07063	31.3
95.04976	11.3
95.08619	91.3
97.02911	7.5
97.06541	6.3
97.10184	22.0
98.97610	2.8
99.04436	2.7
99.08099	9.4
105.07056	11.8
107.04958	7.7
107.08617	25.5
108.34303	1.6
109.02896	5.1
109.06519	5.5
109.10165	59.5
111.04420	9.6
111.08095	3.7
111.11749	14.9
117.07042	4.5
119.08588	12.6
121.06523	4.8
121.10167	18.2
122.73322	1.7
123.04420	2.6
123.08074	2.1
123.11727	28.5
125.06010	4.1
125.09639	6.8
125.13277	9.6
127.03924	4.0
127.11179	4.9
127.43945	1.8
129.07037	2.3
131.08559	8.9
133.06575	1.8
133.10149	8.0
135.08102	3.9
135.11694	14.0
135.88615	1.7
137.05977	5.9
137.13289	19.1
139.03931	5.4
139.07520	2.1
139.14833	3.3
143.08632	3.7
143.14342	3.9
145.04984	2.8
145.06552	2.8
145.10152	7.4
147.08070	1.9
147.11725	4.1
149.09625	3.2
149.13284	17.2
151.03896	2.8
151.14845	24.1
153.12785	7.1
154.85233	1.7
155.14291	5.0
157.10168	4.0
157.15858	2.0
159.11775	1.8
161.06015	2.1
161.09605	3.5
163.11147	8.8
163.14832	10.7
165.16467	9.7
167.14326	4.0
169.15987	3.1
173.09703	2.0
177.16464	2.2
179.10591	2.4
179.17970	6.2
181.12234	3.4
183.17485	2.2
191.10661	3.6
191.18008	1.9
193.12332	4.7
205.19545	2.9
209.11749	13.9
211.13347	5.2
219.01819	3.6
219.13853	2.1
219.21031	2.1
225.11215	2.5
227.12749	9.2
267.15906	3.1
272.06537	2.0
275.27335	11.7
281.28439	6.3
283.10840	2.1
283.15421	7.5
285.10291	2.0
293.28464	30.7
311.29480	14.1
329.21173	2.3
456.80219	2.1
459.27823	2.2
473.32513	2.0
491.26080	5.3
509.28027	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	510.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	2.9
58.06593	1.2
65.03942	1.3
66.28785	0.6
67.05500	1.0
70.06592	11.1
71.08615	1.3
71.53426	0.6
71.53844	0.8
72.08141	1.9
79.05490	0.9
81.07077	0.8
84.08112	1.5
86.09697	2.4
88.07632	1.8
93.07053	1.0
95.08595	1.0
103.90636	0.6
105.07006	0.8
107.08614	1.1
113.31376	0.6
114.09159	0.8
121.02811	0.7
125.79868	0.6
132.10193	4.9
146.11749	6.2
149.02353	49.9
149.03395	3.0
189.84985	0.6
193.04971	48.3
212.23720	1.0
225.87654	0.7
235.16965	0.8
237.07582	64.3
238.25262	0.9
256.26407	2.2
281.10242	2.1
300.28983	26.5
448.30649	1.5
510.34314	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01621	3.7
55.01872	38.6
55.05265	4.4
55.05511	54.3
57.03437	23.0
57.07070	12.2
59.04996	3.8
65.03928	4.6
67.05507	75.0
69.03432	14.9
69.07063	22.5
71.04993	11.5
71.54939	4.7
73.02921	5.2
79.05492	75.7
81.03416	100.0
81.07053	63.7
82.04189	6.6
83.04979	42.0
83.08618	40.9
85.02905	39.3
85.06545	2.7
87.04599	2.2
91.05480	76.3
93.07044	44.6
94.04204	2.9
95.04968	53.1
95.08607	25.4
97.02899	9.0
97.06537	15.5
97.10180	21.9
98.07313	10.2
99.08096	4.1
102.70134	2.3
105.07030	48.2
107.04935	14.0
107.08601	28.9
109.02888	2.5
109.06523	12.3
109.10150	23.2
111.04452	10.7
111.08096	25.0
113.05963	5.1
115.05459	2.9
116.04693	3.6
117.07017	8.4
119.08588	38.6
121.06506	5.9
121.10146	18.8
123.04456	3.2
123.08049	11.2
123.11720	7.0
125.09650	18.8
127.03917	3.4
127.11196	5.5
129.05478	8.3
129.06993	21.9
131.08577	22.7
132.09335	2.2
133.06523	3.0
133.10127	26.8
135.08049	5.9
135.11699	8.2
137.09647	5.8
142.07758	3.9
145.10139	8.9
147.08081	5.5
147.11687	26.0
149.09641	11.2
151.11133	3.5
153.09158	2.5
153.12685	2.5
157.08862	4.8
157.10130	23.7
158.05807	11.2
163.11185	10.4
164.12086	3.1
165.12801	7.7
167.06999	3.9
167.10657	2.9
169.15138	2.3
170.95755	2.5
171.06564	15.5
171.07800	2.9
171.10239	2.6
173.09602	2.7
175.11171	29.8
185.08118	5.6
189.11215	5.3
191.10574	3.1
193.12244	89.7
199.09727	6.8
199.13313	15.0
201.14909	3.3
209.11696	12.4
211.13289	97.3
213.11148	3.3
227.12865	13.6
229.14383	3.6
235.13264	2.6
241.14471	2.8
249.14903	3.1
255.15891	8.4
267.15918	19.9
281.92737	2.9
283.15536	12.8
283.18961	2.8
285.17017	19.3
301.16479	4.2
301.63055	2.8
311.18549	4.7
325.23920	2.5
339.17993	8.1
339.21756	6.4
382.27225	4.5
383.22086	3.3
409.25940	9.3
421.25687	3.5
439.27026	18.3
475.26996	12.5
476.27948	4.9
493.27747	22.7
494.28784	6.4
511.29117	92.4
516.89050	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.2
55.01870	24.6
55.05315	4.9
55.05521	51.5
56.96569	9.5
57.03439	24.9
57.07071	7.1
59.70463	5.4
65.03949	11.6
67.05508	89.5
69.03439	18.5
69.07082	28.7
71.05006	15.3
72.26523	5.8
73.02920	6.0
79.05503	66.3
81.03426	69.4
81.07068	100.0
82.04195	6.9
83.04993	39.2
83.08629	41.1
85.02921	36.5
85.06519	8.6
91.05491	69.9
93.07056	63.0
95.04986	50.4
95.08614	88.8
97.02889	5.9
97.06522	14.6
97.10162	15.6
98.07320	14.2
98.97581	31.8
105.07039	56.7
107.04980	19.2
107.08614	28.1
109.06512	10.4
109.10171	38.5
110.97599	11.8
111.04474	6.9
111.08102	15.1
116.04786	5.2
116.98653	7.2
117.07012	11.0
119.08595	42.8
121.06538	5.8
121.10152	28.2
123.08085	18.6
123.11745	12.6
125.09656	14.7
127.11162	7.0
129.05493	7.6
129.07034	20.9
131.08571	23.6
133.06503	8.0
133.10156	31.7
135.11707	21.0
137.05914	6.3
137.09608	13.4
137.13263	6.2
145.10080	29.5
147.11703	30.7
148.26865	5.6
149.09653	7.9
149.13333	9.3
151.11227	6.1
151.14847	7.2
157.10132	16.3
158.05727	8.0
158.99643	8.5
171.06558	12.2
171.11697	9.6
173.13269	8.3
175.11212	20.7
193.12259	70.1
199.13362	8.5
201.00841	8.6
209.11790	8.9
211.13289	75.1
219.01804	46.7
227.12679	6.6
237.02791	41.6
239.17909	8.0
241.19511	16.5
255.16068	7.2
261.02826	7.9
264.98596	5.8
267.15970	17.2
272.06671	29.9
279.03989	12.3
285.16983	9.9
299.20135	6.5
311.18423	6.7
322.21704	6.4
339.17999	9.3
345.05151	7.5
363.06046	20.4
367.20825	7.0
421.25726	6.2
423.08139	96.6
424.08258	8.2
437.34143	11.2
439.26935	26.7
441.09271	18.2
475.26624	7.8
479.24219	6.1
490.23456	10.5
490.73596	8.7
493.28122	16.0
511.29147	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.32611	0.8
55.01852	1.9
57.03426	1.4
65.03928	1.0
67.05498	1.9
69.03433	2.1
69.07077	0.9
69.46255	0.8
69.74721	4.9
71.04995	1.3
73.02945	1.1
75.04491	1.0
76.45998	0.7
78.04722	1.6
79.05508	5.5
81.03417	2.2
81.07067	2.4
85.02905	6.2
91.05484	13.4
93.03400	2.4
93.07056	6.9
95.04975	3.2
95.08601	1.4
97.02889	1.8
97.06535	1.5
98.97556	1.2
99.04456	2.9
103.05476	12.7
105.04534	0.7
105.07027	5.6
106.04185	5.7
107.04959	22.3
107.08594	4.2
109.02875	1.2
115.05457	2.5
117.07034	1.4
118.04177	1.5
119.04940	4.4
120.05688	1.0
121.06499	11.7
123.04427	2.2
124.03931	1.3
124.05243	1.4
125.05969	3.1
127.03922	1.5
128.06233	1.8
129.07027	5.3
130.04117	1.2
130.07793	0.9
131.04941	9.9
131.08597	2.3
131.85893	0.7
132.05743	4.0
133.06512	3.0
134.03612	0.8
135.04372	1.2
135.08078	5.6
135.11705	4.0
137.05981	7.5
140.04547	0.8
145.03926	0.9
145.05003	2.1
145.06474	1.4
145.07547	1.2
146.07254	3.3
147.04427	2.1
148.05176	4.2
149.05983	13.0
149.09674	1.1
151.03897	1.7
151.07552	4.4
153.01839	1.9
153.05513	1.3
153.09105	3.6
153.12708	2.0
155.05943	0.9
157.06519	2.8
159.04440	1.3
159.08020	1.1
160.05284	1.6
161.05988	88.4
161.09618	23.1
161.10942	1.4
162.01323	0.8
163.03842	1.1
163.06142	1.6
163.07539	27.0
165.05469	2.9
165.09084	1.4
166.06192	1.1
167.07048	36.1
168.07376	1.5
171.08159	1.1
173.06038	1.3
174.06772	3.0
175.07535	7.5
177.05479	8.7
177.09081	1.9
179.07040	3.6
180.07808	8.3
181.08601	20.8
182.09372	1.0
183.13773	4.2
189.09105	54.2
191.07028	17.7
191.10612	0.8
192.07835	9.1
193.08614	2.2
195.08038	1.0
197.08163	1.0
207.10175	100.0
209.08099	28.4
219.10181	5.3
223.04243	7.8
253.08609	2.0
257.11707	1.4
265.08765	1.0
278.95465	0.8
279.10120	1.5
283.09662	1.6
283.13263	1.0
284.10547	1.1
285.11240	4.5
295.09564	1.1
302.11566	0.9
311.12991	1.2
315.12299	2.8
316.12531	0.9
317.13831	6.5
327.20651	0.8
329.13950	2.0
331.15509	2.2
341.13895	4.6
343.15417	9.8
355.15277	1.2
361.16461	28.2
361.20978	1.4
373.16382	5.6
466.77859	1.0
512.19147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.32611	0.8
55.01852	1.9
57.03426	1.4
65.03928	1.0
67.05498	1.9
69.03433	2.1
69.07077	0.9
69.46255	0.8
69.74721	4.9
71.04995	1.3
73.02945	1.1
75.04491	1.0
76.45998	0.7
78.04722	1.6
79.05508	5.5
81.03417	2.2
81.07067	2.4
85.02905	6.2
91.05484	13.4
93.03400	2.4
93.07056	6.9
95.04975	3.2
95.08601	1.4
97.02889	1.8
97.06535	1.5
98.97556	1.2
99.04456	2.9
103.05476	12.7
105.04534	0.7
105.07027	5.6
106.04185	5.7
107.04959	22.3
107.08594	4.2
109.02875	1.2
115.05457	2.5
117.07034	1.4
118.04177	1.5
119.04940	4.4
120.05688	1.0
121.06499	11.7
123.04427	2.2
124.03931	1.3
124.05243	1.4
125.05969	3.1
127.03922	1.5
128.06233	1.8
129.07027	5.3
130.04117	1.2
130.07793	0.9
131.04941	9.9
131.08597	2.3
131.85893	0.7
132.05743	4.0
133.06512	3.0
134.03612	0.8
135.04372	1.2
135.08078	5.6
135.11705	4.0
137.05981	7.5
140.04547	0.8
145.03926	0.9
145.05003	2.1
145.06474	1.4
145.07547	1.2
146.07254	3.3
147.04427	2.1
148.05176	4.2
149.05983	13.0
149.09674	1.1
151.03897	1.7
151.07552	4.4
153.01839	1.9
153.05513	1.3
153.09105	3.6
153.12708	2.0
155.05943	0.9
157.06519	2.8
159.04440	1.3
159.08020	1.1
160.05284	1.6
161.05988	88.4
161.09618	23.1
161.10942	1.4
162.01323	0.8
163.03842	1.1
163.06142	1.6
163.07539	27.0
165.05469	2.9
165.09084	1.4
166.06192	1.1
167.07048	36.1
168.07376	1.5
171.08159	1.1
173.06038	1.3
174.06772	3.0
175.07535	7.5
177.05479	8.7
177.09081	1.9
179.07040	3.6
180.07808	8.3
181.08601	20.8
182.09372	1.0
183.13773	4.2
189.09105	54.2
191.07028	17.7
191.10612	0.8
192.07835	9.1
193.08614	2.2
195.08038	1.0
197.08163	1.0
207.10175	100.0
209.08099	28.4
219.10181	5.3
223.04243	7.8
253.08609	2.0
257.11707	1.4
265.08765	1.0
278.95465	0.8
279.10120	1.5
283.09662	1.6
283.13263	1.0
284.10547	1.1
285.11240	4.5
295.09564	1.1
302.11566	0.9
311.12991	1.2
315.12299	2.8
316.12531	0.9
317.13831	6.5
327.20651	0.8
329.13950	2.0
331.15509	2.2
341.13895	4.6
343.15417	9.8
355.15277	1.2
361.16461	28.2
361.20978	1.4
373.16382	5.6
466.77859	1.0
512.19147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09317	0.3
55.05514	1.4
57.07079	12.4
57.07343	0.5
58.06591	0.7
62.65922	0.3
67.05473	1.3
69.07060	1.9
70.06598	10.3
71.08640	6.7
71.13667	0.4
73.02889	1.3
75.84190	0.2
81.07059	2.0
83.08637	1.7
85.10187	2.9
87.04460	0.7
88.07638	13.6
89.06033	0.3
93.95290	0.3
95.08610	2.2
97.10133	1.0
102.09186	9.1
106.08647	0.7
109.10131	0.6
121.05380	0.3
212.23808	0.3
228.23268	3.5
256.23520	0.3
256.26364	34.5
274.27386	3.5
283.26328	37.7
311.29446	3.6
335.15063	0.3
414.99030	0.3
429.33249	0.3
512.50409	100.0
513.51007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96606	1.6
57.03466	1.1
59.75016	0.5
61.02973	1.3
69.03435	4.5
70.59762	0.5
71.05045	0.9
71.52602	1.1
73.02963	1.2
81.03493	2.3
81.77763	0.7
82.99905	1.2
83.25040	0.8
84.96081	0.6
85.01479	0.9
85.02911	8.9
86.99395	0.7
87.04523	0.6
87.36735	0.7
94.74963	0.6
95.79294	0.6
97.01470	0.9
97.02910	5.4
98.04170	0.7
98.97593	6.9
99.04533	1.2
101.00891	5.3
103.00711	0.6
103.02557	1.8
109.02934	1.3
110.97659	2.0
112.99216	2.7
113.00973	2.7
115.02451	5.3
116.98742	1.8
119.01926	4.4
121.01702	0.6
123.94480	0.6
127.00744	0.6
127.02549	1.9
127.04018	2.6
128.98694	1.0
129.04005	3.6
131.00339	1.0
131.01915	4.4
131.05591	1.4
133.03482	10.1
133.05309	1.4
137.00880	1.1
139.02516	1.1
141.04077	1.9
143.00264	1.1
143.01920	8.2
143.02888	0.7
143.05565	1.3
145.01762	2.2
145.03465	4.6
145.05067	2.0
147.03284	1.3
147.05031	7.1
153.04030	1.7
153.05864	1.7
155.01903	9.9
155.05606	0.8
156.02817	1.2
157.01730	1.3
157.02304	0.7
157.03506	6.6
158.99731	1.7
159.03316	1.3
159.05051	7.7
161.01787	0.9
161.02962	5.1
161.06697	2.7
163.02867	2.0
163.04657	0.9
163.06407	0.8
165.04126	0.8
165.06204	0.7
167.02031	1.6
167.05582	0.6
169.03580	1.7
170.99800	1.0
171.01543	0.8
171.05046	8.5
173.01378	2.1
173.03067	7.3
173.04384	0.9
173.06715	2.2
173.61452	0.7
174.65454	0.7
175.02971	0.8
175.04643	2.6
177.00818	0.8
177.04510	1.2
177.06091	8.1
178.05028	0.7
179.02055	1.9
181.03838	0.9
183.05023	7.0
185.03015	4.9
185.06593	3.3
187.02782	1.2
187.04747	1.1
187.06369	0.7
189.02435	0.8
189.06097	3.0
191.04021	1.9
193.03680	2.0
195.05203	2.2
195.07262	3.8
197.03081	2.8
197.06662	3.0
199.02911	0.8
199.04636	1.9
201.00653	1.1
201.04478	1.2
201.06088	5.3
203.03984	6.1
203.07680	4.1
204.08295	0.6
205.03880	1.6
205.05785	1.2
205.07585	2.3
207.05127	1.7
211.04628	1.7
211.06424	1.3
213.06213	2.2
215.03905	1.4
215.07825	2.5
217.07545	2.2
219.01727	3.2
219.05058	1.5
219.07158	26.1
221.05087	8.6
222.05426	0.9
223.04941	2.4
225.06215	2.6
229.05716	1.2
231.03296	2.4
231.07164	22.0
233.08768	6.3
237.03014	1.8
237.08305	0.8
243.07211	1.4
245.05096	19.0
245.08902	2.1
246.05426	0.9
247.04819	1.4
247.06982	0.9
255.07167	9.2
259.02365	4.1
259.06674	3.5
261.08392	4.7
263.06223	1.5
272.06677	1.5
273.08224	8.3
275.01767	0.7
275.06125	1.1
277.03448	13.5
278.03769	1.4
279.03986	1.0
291.09509	2.1
303.01334	7.5
303.09363	1.8
304.01593	0.9
304.06131	1.2
305.10837	8.1
306.11121	2.0
307.07080	2.4
307.10800	10.3
310.11996	1.5
319.08841	1.4
321.10361	100.0
322.10770	2.9
323.10501	1.4
325.08133	1.2
325.11639	0.6
336.08875	0.6
337.08527	1.1
339.11731	1.5
351.11517	1.0
355.09058	1.1
365.08771	0.9
367.08957	1.3
394.08734	1.1
410.07803	0.8
447.90707	0.7
453.13098	1.0
477.10577	1.7
495.11752	11.2
513.12872	40.9
514.13525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73788	0.5
57.03477	1.3
61.02956	1.4
63.85691	0.6
69.03433	4.3
71.05038	0.9
71.52952	1.0
73.02973	1.4
81.03474	1.8
82.99928	1.6
85.01439	0.9
85.02921	11.8
86.03313	0.8
87.04508	0.7
97.01457	0.6
97.02894	3.8
98.97654	1.5
99.04517	1.4
101.00894	7.6
103.00677	0.8
103.02483	1.2
105.00482	0.6
109.02962	1.7
113.00896	2.8
115.02448	4.8
117.04037	0.7
119.01934	11.6
121.01733	1.4
121.03525	0.8
123.04468	0.7
127.02462	2.8
127.03934	5.5
128.04291	0.6
129.03983	2.9
131.01935	7.2
131.02809	0.6
133.01779	1.0
133.03497	11.8
137.06055	0.9
139.02472	1.3
141.04062	1.7
143.01929	15.7
143.05615	0.8
145.01753	1.8
145.03493	9.7
145.05031	3.9
147.01483	1.5
147.03278	1.2
147.05089	6.0
153.01813	1.0
153.04066	1.1
155.01918	12.3
155.05592	0.8
157.01648	0.9
157.02150	0.8
157.03490	9.7
158.99727	0.7
159.01495	0.7
159.03305	1.3
159.05124	7.5
161.02994	12.1
161.06689	1.2
163.02756	1.4
163.04594	0.9
167.01909	4.5
167.05585	0.6
169.03508	3.4
171.01494	1.4
171.05083	8.3
173.02997	11.5
173.04602	0.8
173.05170	0.6
173.06616	0.8
175.02873	1.4
175.04630	3.4
177.01102	0.6
177.02679	0.7
177.06123	7.5
179.00548	0.9
179.01874	3.7
181.03520	1.0
183.01556	1.0
183.05075	6.1
185.02982	15.8
185.04568	1.0
185.06583	4.1
186.03105	0.6
187.02901	1.3
187.04604	3.6
189.00844	0.8
189.02499	2.7
189.06175	2.7
195.05376	1.2
195.07236	4.4
197.03003	8.3
197.06702	1.6
199.02962	0.8
199.04649	2.2
201.00824	0.7
201.02525	2.3
201.06079	3.4
203.04039	7.7
203.05745	0.7
203.07675	1.4
204.04190	1.1
205.03929	1.0
205.05716	1.0
207.05133	1.2
211.04633	1.9
213.02496	0.7
213.06242	2.3
215.04037	3.5
215.07651	0.9
218.06442	1.3
219.03612	2.1
219.07179	21.6
221.05034	7.8
223.04909	1.3
225.06203	3.1
227.04044	4.1
231.03615	12.5
231.07158	25.0
233.08716	5.9
237.02818	0.7
237.06294	0.7
241.05643	0.7
243.03613	2.2
243.07397	1.3
245.05106	47.5
245.08965	1.6
246.05295	1.4
247.04597	3.3
247.07008	1.4
249.04477	1.4
251.08189	0.6
255.07158	8.7
257.05109	2.7
259.02490	1.1
259.06784	2.7
260.08273	1.0
260.58115	0.7
261.04611	2.2
261.08408	4.1
263.06192	5.3
265.05914	0.7
265.36093	0.6
271.06644	0.7
273.08258	10.1
274.08136	0.9
275.06161	6.8
277.03415	2.5
277.06006	1.1
283.10025	0.6
285.04590	1.4
287.09717	0.9
289.07492	0.7
291.05701	3.6
291.09009	1.1
293.07379	1.3
301.11304	1.0
303.01477	1.3
303.09100	1.2
305.07346	4.4
305.10339	0.9
307.08768	2.0
317.07416	0.8
319.08810	1.1
319.12698	1.7
321.10349	100.0
322.10706	1.4
333.06607	5.5
333.10428	1.7
335.08307	1.5
339.11340	1.4
351.07489	5.0
351.11578	1.5
351.15216	1.3
365.09250	6.1
366.09637	0.6
393.08243	0.8
409.11877	0.6
477.10745	1.7
495.11749	9.7
513.12799	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.7
55.05507	12.2
57.03420	7.6
57.07055	6.4
61.02924	11.4
62.79695	6.2
67.05515	38.2
69.03444	10.5
69.07052	9.6
71.53416	7.1
79.05498	42.0
81.03461	6.5
81.07059	55.1
83.08637	7.0
85.02912	16.4
91.03952	6.8
91.05473	32.9
93.07039	44.2
95.04947	6.3
95.08625	32.8
97.02879	11.4
99.08095	6.1
105.07019	25.8
107.08614	32.5
109.10146	12.2
117.07003	10.6
119.08580	31.5
121.10139	24.4
127.03870	8.0
131.08556	17.2
133.10135	31.2
135.11716	29.5
145.10129	12.5
147.11703	24.9
149.13261	10.4
157.10155	7.5
159.11676	21.1
161.09656	8.3
161.13266	19.8
171.11653	15.3
173.13214	10.8
175.14818	12.4
185.13396	6.4
205.62556	6.4
241.19562	18.3
259.20581	49.8
277.21475	7.5
339.33789	6.0
351.25262	100.0
405.51288	5.7
435.21939	6.6
441.26938	5.8
513.29718	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.0
57.07073	10.0
65.49973	3.6
67.05501	14.7
69.07057	16.0
70.06598	7.3
71.08620	7.0
71.54144	5.7
72.10350	3.1
79.05500	10.2
81.07059	35.4
83.08609	6.9
88.07636	12.3
89.06034	11.9
91.05476	7.8
93.07070	26.3
95.08611	58.7
97.10187	4.8
102.09145	7.1
105.07025	25.5
107.08614	38.8
109.06530	9.0
109.10162	44.6
111.08086	14.0
119.08618	32.8
119.89629	3.8
121.10143	37.6
123.08074	8.3
123.11716	33.5
125.06000	4.6
131.08582	6.0
133.08652	5.6
133.10124	28.6
135.08037	6.3
135.11687	20.5
137.09619	5.0
137.13252	8.1
139.07555	10.7
145.10136	26.9
147.08026	4.1
147.11671	23.6
149.13289	24.2
151.11209	3.8
157.10168	5.2
159.11708	18.2
161.09557	5.2
161.13272	11.4
163.14870	7.6
173.13237	8.5
175.14868	6.7
177.12685	5.3
177.16402	18.9
187.14870	10.7
189.12816	4.1
189.16380	18.9
191.10687	4.3
199.14803	9.0
201.16376	22.9
203.17940	18.5
207.17419	11.0
215.14401	10.9
217.15891	33.3
219.17500	13.0
233.15324	13.3
235.16936	44.9
256.26443	18.0
257.26770	11.4
283.26340	15.7
284.26691	17.9
303.19525	15.8
317.21097	7.0
328.20419	5.1
344.88797	3.9
407.33127	15.7
425.34543	8.7
435.32700	8.4
453.33636	100.0
467.35568	4.8
476.88513	4.1
512.49713	4.3
513.35132	44.6
513.50690	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	513.3555
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
55.05505	0.6
56.68784	0.5
57.07079	3.1
67.05497	0.9
69.07093	0.8
70.06591	1.7
71.08636	1.5
71.10166	0.5
79.51725	0.5
80.65141	0.5
81.07050	1.5
83.08617	0.7
85.10173	0.6
88.07625	3.1
89.06039	0.8
95.08618	1.4
102.09193	2.3
103.09435	0.6
105.07006	0.7
107.08570	0.8
119.08606	0.6
123.11738	0.7
128.56914	0.5
135.11755	0.7
137.60274	0.5
145.10190	0.7
214.78917	0.6
256.26355	5.0
257.26721	4.5
283.26303	5.7
284.26712	4.7
314.14700	0.7
435.32755	0.6
435.61743	0.6
448.08008	0.5
495.34290	6.8
512.50635	1.3
513.35541	100.0
513.50720	24.9
514.35962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3576
Annotation	Serratolide
Peak:m/z	Relative Intensity
51.78202	1.4
52.88177	1.1
55.05500	4.1
57.07076	4.0
65.03927	1.3
67.05495	5.2
69.03407	1.5
69.07064	6.5
70.06594	3.0
70.69842	1.1
71.08624	2.0
71.54034	1.3
71.54467	1.8
79.05489	5.1
81.07059	20.9
83.04992	7.7
83.08627	1.8
85.06519	2.5
88.07634	5.0
89.06030	2.7
91.05476	2.6
93.07030	7.7
95.04989	1.5
95.08614	14.6
97.10180	1.6
99.08124	2.8
102.09184	3.5
105.07033	9.0
107.08582	12.7
107.86956	1.3
109.06526	1.1
109.10167	7.0
117.07000	1.7
119.08549	7.7
121.06506	3.3
121.10143	10.0
123.08044	1.3
123.11713	5.3
131.08554	2.5
133.08635	1.6
133.10141	6.3
135.11679	6.7
137.06032	6.8
139.07538	3.9
143.08591	1.8
145.10120	4.9
147.11696	4.0
149.09610	1.7
149.13286	3.6
151.07529	1.4
157.10193	2.6
159.11697	3.1
161.13271	4.4
163.14835	14.2
169.10175	2.2
171.11699	1.8
173.09579	1.5
173.13260	2.2
175.11198	1.9
175.14905	2.7
177.16428	4.2
183.11635	1.5
185.13309	1.4
187.14838	3.2
189.12718	1.5
189.16405	3.3
191.17973	2.2
197.13220	1.2
199.14822	2.4
201.16432	1.7
205.15955	1.6
213.16403	2.1
215.14375	2.9
216.42953	1.2
217.15869	4.8
233.15352	6.7
255.24110	1.2
256.26346	8.0
257.26694	6.2
259.16913	1.4
261.18634	1.4
271.20770	1.3
281.19196	1.9
283.26367	6.9
284.26660	10.3
299.20096	2.1
309.04001	1.3
328.20850	1.3
359.28806	1.3
417.31528	2.6
435.32709	4.1
453.33591	2.4
467.35345	1.6
483.35123	1.8
485.36337	3.5
492.83435	1.5
495.34738	8.9
513.35773	100.0
513.50653	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3582
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
53.03936	0.5
55.05524	1.9
56.21371	0.2
56.21845	0.2
57.07069	0.9
59.05000	0.3
65.24146	0.2
65.47586	0.2
67.05509	2.2
69.07079	3.3
69.17187	0.2
69.47001	0.8
69.47429	0.7
70.06628	0.2
71.08629	0.3
79.05486	1.8
81.07070	6.0
82.32408	0.2
83.05000	3.3
83.08640	1.3
84.16257	0.2
85.06570	0.2
88.07610	0.5
89.06046	1.4
90.06388	0.3
91.05495	2.3
93.07058	4.2
95.04984	0.5
95.08621	9.1
97.06563	1.2
97.10188	0.5
105.07047	9.1
107.05017	0.2
107.08611	8.3
109.06543	0.8
109.10168	3.6
111.08104	0.7
115.05490	0.3
117.07050	0.8
117.23640	0.2
119.08598	13.2
121.06553	0.5
121.10156	6.2
123.08089	0.7
123.11719	2.5
125.09647	0.4
129.07036	0.7
131.08574	2.1
133.06485	0.4
133.08682	1.2
133.10147	6.2
134.08981	0.3
135.08049	0.8
135.11708	6.9
137.13261	1.3
139.07635	0.3
139.11246	0.8
141.07033	0.8
142.07838	0.3
143.08578	1.9
145.06496	0.4
145.10149	3.5
147.08066	1.2
147.11720	4.2
149.09685	1.4
149.13252	1.7
153.09138	1.0
153.12790	0.3
155.08586	1.3
157.10150	3.3
159.08081	0.6
159.11722	2.6
161.09671	2.4
161.13278	3.5
163.11212	0.6
163.14816	1.4
165.09137	0.4
165.12825	0.3
168.09392	0.4
169.10152	1.3
171.11694	2.3
173.09676	0.4
173.13286	3.9
175.11224	0.9
175.14845	8.8
177.11266	0.5
177.16435	2.1
182.10918	0.9
183.11760	1.9
185.13330	1.3
187.11232	0.6
187.14850	4.4
189.12796	0.9
189.16406	21.1
191.17937	1.4
193.08629	0.3
195.11769	0.4
197.13272	3.5
198.14043	0.3
199.14850	4.1
201.12717	0.7
201.16496	1.7
203.14418	0.4
203.18002	0.4
207.17467	1.0
209.13348	0.3
211.14803	1.7
213.16418	1.9
215.14392	3.4
215.17990	0.9
217.15901	8.3
223.14914	0.3
225.16458	0.4
227.17944	1.9
229.15944	1.3
229.19576	1.0
231.17474	0.8
235.16971	4.4
237.16228	0.3
239.18011	0.5
241.19550	0.6
243.17480	0.4
243.21223	0.8
245.15311	0.3
245.19107	1.0
249.18475	0.3
253.19559	3.1
255.21187	0.5
256.26425	0.5
257.19046	0.9
257.26761	0.6
261.14923	0.5
263.16467	0.4
267.21106	0.7
269.22717	0.3
271.20593	7.6
273.18515	0.5
275.16455	0.5
277.18024	1.5
283.26483	0.6
284.26709	0.7
285.22415	0.5
299.20068	0.7
317.21136	2.0
327.20203	0.8
328.20618	0.9
389.32071	0.8
407.33185	2.6
425.34186	0.5
435.32681	1.6
453.33896	1.1
467.35303	4.8
495.33966	0.3
513.35852	100.0
513.51166	3.0
514.36273	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2147
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
50.62900	0.3
53.03935	0.5
55.01851	1.0
56.11855	0.3
56.96563	0.4
57.03436	2.0
61.02942	1.6
65.03905	0.3
67.05491	1.4
69.03435	5.0
69.49157	2.4
71.04986	0.5
73.02905	1.1
80.69255	0.3
81.03429	2.0
83.04958	0.3
85.02909	10.5
87.04457	1.3
91.03946	0.7
97.02892	4.2
98.97570	0.6
99.04436	1.0
106.83141	0.4
107.08591	0.7
109.02869	1.5
111.04437	0.6
115.03925	0.7
119.03564	1.3
119.04881	0.4
123.04465	0.5
127.03919	3.4
133.04922	0.4
135.06636	0.9
136.06190	100.0
137.04561	0.9
138.05466	0.3
143.49123	0.3
145.04930	1.3
148.06161	3.7
153.01833	0.9
153.09071	1.2
155.10645	0.4
159.06718	2.6
171.10188	2.4
172.07538	1.1
173.08250	0.7
173.11867	0.5
174.05418	0.3
175.09743	1.0
178.07281	0.8
185.08232	13.5
187.08571	0.5
202.10883	26.7
203.12839	1.3
220.11935	67.7
221.12213	0.4
249.00331	0.3
262.13013	0.4
268.10284	0.4
352.16223	5.7
382.17230	67.1
383.17804	0.4
474.22083	0.4
479.14316	0.3
514.21570	38.8
515.21716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
64.75544	0.8
67.05502	2.9
67.48593	0.7
68.05035	1.1
69.03423	2.9
69.07069	9.4
69.82890	0.9
70.06576	1.6
71.04993	1.3
71.54758	0.8
73.02921	2.1
79.05463	1.9
80.05012	1.7
81.07063	2.6
82.06563	1.2
85.02891	3.6
86.09702	1.0
91.05465	1.6
93.07046	2.3
94.06567	10.7
95.04952	1.9
95.08597	1.3
96.09003	0.9
97.02915	1.3
97.06507	1.1
98.06082	1.6
98.97594	1.9
103.05479	0.8
103.47744	0.9
104.05003	1.8
105.05759	1.8
105.07034	1.5
107.08569	0.9
108.04475	22.6
109.02916	1.5
109.10143	1.4
112.07623	2.7
113.93170	0.9
118.06530	1.6
121.02899	1.1
122.06039	41.8
123.04439	3.1
124.07619	1.2
127.03909	0.9
137.06023	4.4
140.07072	85.4
144.04451	1.8
145.05128	1.5
146.06013	43.4
148.07555	1.0
149.13232	1.1
150.05466	2.5
162.05489	1.3
163.07523	1.0
165.09135	1.3
166.88412	0.8
167.07056	4.7
168.06563	22.3
170.99586	1.0
172.03926	11.2
173.04745	12.4
174.05515	58.2
176.07060	2.3
178.08719	1.0
185.15417	3.0
190.05025	2.2
191.05769	9.5
192.06564	3.5
202.12294	1.1
204.06552	13.1
206.08134	10.6
225.10281	3.8
237.10321	1.1
238.11031	0.9
239.08125	1.1
239.11821	1.9
240.08795	1.0
252.09143	1.6
253.09715	2.9
258.09836	1.8
265.09683	1.6
267.11285	3.9
280.10776	1.6
280.61011	1.4
281.09073	6.3
285.12357	10.8
287.05612	1.1
295.10715	6.0
297.12323	4.2
299.10220	8.8
313.11823	45.1
323.10172	5.3
324.11066	5.2
331.12930	6.0
341.11328	45.1
345.14621	1.0
356.13797	1.2
361.02393	1.6
373.13947	9.6
440.18298	7.6
464.18088	3.2
478.25165	1.0
482.19263	100.0
483.19608	1.4
496.20844	7.0
500.20401	4.6
503.54935	0.9
514.15277	1.1
514.21790	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	514.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42011	0.2
55.01846	0.4
55.05471	0.5
57.03373	0.3
61.87605	0.3
67.05465	0.9
69.03403	0.5
69.07024	0.9
69.72997	1.5
70.06565	0.5
77.28661	0.3
79.05447	0.8
81.03413	1.5
81.07027	0.6
81.98167	0.3
85.02862	1.1
91.05462	0.6
93.06988	0.8
94.06541	0.3
95.04928	0.7
95.08604	1.9
97.02880	0.4
98.05950	0.3
98.97572	0.6
105.07026	0.5
107.08504	0.4
108.04487	1.5
109.02826	0.3
112.07565	0.4
119.08585	0.3
122.05997	1.0
126.09121	0.5
127.03934	0.3
129.06947	0.4
137.05966	0.3
138.05470	1.0
138.09171	0.3
140.07050	1.6
146.05972	1.1
147.04410	0.6
148.07571	0.7
149.09560	0.3
150.05478	0.4
164.10710	2.3
166.05023	0.8
167.07065	1.7
168.06491	2.6
174.05493	0.6
176.03375	0.4
185.10866	0.3
192.10226	3.5
193.12228	1.1
195.03333	0.4
199.08589	0.3
199.87115	0.3
204.06476	0.6
206.08180	1.0
210.07845	0.3
211.08685	4.1
211.12340	0.6
212.09412	0.9
213.10149	0.8
221.10738	0.8
222.09186	1.4
223.06430	0.3
223.08644	0.5
223.12279	0.4
224.10878	2.1
225.10222	3.6
226.10901	0.6
227.08102	0.4
227.11850	0.3
238.10985	0.7
239.08128	0.4
239.11794	8.0
240.08954	0.5
240.12251	0.3
241.09686	1.3
241.13388	0.7
249.10120	0.7
250.08618	0.8
251.08083	0.5
252.08977	2.5
252.59628	0.3
253.09758	4.8
254.10515	0.4
256.12030	0.4
257.12936	0.6
263.10269	0.5
267.11304	9.5
267.15900	0.8
268.09503	0.4
268.12070	0.4
269.09061	0.4
269.12796	1.3
280.08527	0.4
281.08948	0.4
283.10727	0.4
284.11517	0.4
285.12296	1.0
285.16818	1.7
291.09714	0.7
295.10837	5.2
296.09012	0.4
297.12332	0.4
313.11823	37.0
314.12433	0.5
323.12772	2.2
327.13342	0.4
341.11368	4.4
355.12897	1.4
359.12552	0.7
373.13956	100.0
374.14359	1.0
452.30911	0.3
464.17816	0.3
482.19196	1.5
514.22528	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	514.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05507	0.9
63.12393	0.3
67.05509	2.7
69.03436	0.7
69.07069	1.4
69.41548	2.6
72.38116	0.3
74.88216	0.3
79.05476	0.7
81.03418	9.2
81.07045	1.1
83.04977	0.5
83.08626	2.3
83.75747	0.3
85.02918	0.8
87.74107	0.3
91.05469	1.4
93.07042	1.1
95.04979	2.7
95.08613	6.0
97.06507	0.4
105.07018	0.8
107.04941	1.0
107.08614	0.7
108.04471	2.5
109.02879	0.4
109.10126	0.5
111.08074	1.2
119.08557	0.9
122.06019	1.0
124.03986	0.7
124.07587	1.3
127.03835	0.5
129.06973	0.4
131.08577	0.6
133.10153	0.5
136.11253	0.4
137.05942	0.4
137.09669	0.5
138.05486	0.6
140.07083	2.7
146.05995	1.3
147.04359	1.1
147.11684	1.0
148.07512	0.5
149.09589	0.6
150.05498	0.5
151.07542	0.5
157.10181	1.1
164.07089	0.4
164.10719	5.5
166.04993	0.7
168.06561	3.5
174.05531	0.7
175.11208	1.4
192.10202	8.0
193.12250	8.1
193.13882	0.3
201.10252	0.4
204.06607	0.6
206.08116	1.5
211.08675	4.3
212.09471	1.1
213.10240	0.6
217.09784	0.5
221.10765	0.5
222.09264	0.8
223.08585	0.4
223.12408	0.4
224.10864	0.8
225.10208	3.0
226.11003	0.5
227.08235	0.5
229.09708	0.4
234.75134	0.4
236.09293	0.4
236.57492	0.3
237.10109	0.4
239.08205	0.6
239.11830	5.8
240.08841	0.5
240.12515	0.6
241.09677	1.1
241.13391	0.7
245.09067	0.4
246.07895	0.4
249.10361	0.6
250.08754	0.9
251.08211	0.8
252.08987	1.4
253.09763	4.7
257.12988	0.7
263.10205	1.6
266.10678	0.5
267.11316	9.6
267.15805	4.4
268.09634	0.5
268.12180	0.9
269.12982	0.6
271.10782	0.7
281.09158	0.7
284.11563	0.6
285.12265	1.2
285.16968	12.1
287.21344	0.4
291.09753	1.7
295.10776	5.4
297.12292	1.0
298.31921	0.5
307.48038	0.4
309.17014	0.9
313.11819	32.4
314.12524	0.4
315.13474	0.6
323.12585	8.3
341.11371	4.3
347.12738	0.5
355.12909	1.9
359.12482	0.6
363.17911	0.5
373.13959	100.0
374.14322	1.3
385.15625	0.4
464.18454	0.5
482.19159	4.0
496.21121	1.2
514.21918	4.7
515.75970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
55.05519	23.5
57.03435	17.6
67.05510	57.3
69.03419	6.4
69.07078	25.8
71.04979	6.1
71.53476	6.7
79.05509	46.6
81.03429	48.8
81.07066	82.5
83.04984	22.1
83.08206	4.5
83.08608	26.7
85.02921	22.5
91.05494	35.7
93.07057	62.5
95.04976	22.4
95.08595	25.9
97.06533	9.4
105.07042	27.6
107.04950	7.4
107.08617	30.9
109.10165	6.5
111.08091	11.0
117.07021	6.7
119.08588	12.6
121.10162	18.2
124.91825	5.8
129.07004	6.4
131.08566	14.5
133.10138	18.6
133.78336	4.9
135.07999	5.5
135.11716	11.3
147.11739	10.7
149.13297	34.1
152.29189	4.6
157.10153	7.7
159.11700	13.9
166.42154	4.7
175.11198	11.5
193.12242	44.4
195.13817	20.3
211.13306	52.2
246.32431	4.7
267.15955	20.9
269.17502	98.1
279.03500	4.7
285.16998	61.4
341.10535	5.5
422.64362	5.5
461.28903	27.7
479.30219	100.0
514.32007	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	515.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.1
56.96558	1.6
57.03419	1.0
60.00500	0.9
60.14712	1.0
65.14885	1.1
69.03442	5.2
69.07063	4.1
69.32391	8.8
73.91571	1.1
81.03415	2.5
81.07062	1.6
85.02917	8.1
88.83205	1.0
91.05488	2.1
95.08586	1.7
96.08173	1.4
97.02901	4.7
97.06564	1.8
98.89173	0.9
98.97586	4.3
99.04440	1.4
105.07058	1.2
109.02870	1.9
116.98662	1.7
119.08550	1.3
123.04499	1.2
124.07578	3.8
127.03931	3.5
137.06033	2.3
138.05553	7.9
140.07150	1.9
143.00078	1.4
145.05029	1.1
150.05502	6.5
150.07744	1.9
153.01801	2.0
158.99681	1.8
166.05000	2.9
170.08351	1.1
182.08171	2.2
190.12256	1.2
192.02879	1.8
197.10719	1.2
198.07915	8.4
210.03970	2.2
212.09537	1.4
213.10240	11.3
215.08057	1.2
218.11732	1.6
219.01888	1.2
221.08093	1.2
225.10280	2.7
226.07341	2.0
227.11765	6.2
228.08717	1.2
241.09738	4.9
243.11299	3.1
245.12845	1.3
246.11310	2.3
253.09801	5.3
255.11349	3.8
256.08167	1.1
257.09088	1.1
261.12268	1.6
269.09259	8.3
271.10809	8.8
273.12469	5.4
279.08844	1.5
281.09259	1.2
283.10770	1.3
287.10291	100.0
289.11871	7.6
299.10266	15.2
301.11810	3.0
317.11359	76.2
335.12430	37.4
335.15723	0.9
335.16443	1.6
455.08893	1.7
479.16589	2.3
515.16742	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	515.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
56.96553	1.7
57.03427	1.9
58.05825	1.1
65.03935	1.1
67.05487	1.4
69.03433	6.7
69.07080	8.0
71.05005	1.6
71.54616	2.0
79.77602	1.0
81.03406	4.4
81.04536	2.6
81.07050	2.2
85.02915	10.4
96.08145	1.6
97.02901	11.7
98.97585	3.6
99.04437	1.9
106.06561	1.8
108.04443	1.2
109.02908	1.6
109.10196	1.3
111.04469	1.3
118.63277	1.3
122.06091	1.8
122.07131	11.8
123.04462	1.5
123.07928	8.5
124.07573	4.7
127.03919	5.9
136.07532	1.2
138.05548	9.3
140.07027	2.4
145.04913	1.6
149.05904	1.3
150.05516	12.9
152.07089	1.7
153.01781	2.0
161.06006	2.0
161.08342	1.9
162.16457	1.3
166.05023	3.6
176.03476	1.2
176.05482	1.5
179.03581	1.6
182.08209	3.9
183.09178	1.8
184.06082	1.5
184.09831	1.3
190.08621	1.4
190.12286	2.5
192.02867	3.8
196.09872	1.5
197.10855	1.9
198.07788	7.0
198.32768	1.3
200.09203	2.5
210.03969	5.8
210.07884	1.5
212.09395	3.0
213.10280	9.6
215.11670	1.7
216.10265	2.1
218.11803	2.0
225.10193	4.6
226.07257	2.4
226.10808	1.2
227.11765	8.5
229.00226	1.5
231.07660	1.3
241.09657	3.8
243.11293	4.5
244.08324	1.3
245.12897	3.3
246.11235	2.2
253.09669	8.7
255.11418	8.0
257.09052	1.8
259.01321	3.0
259.10678	2.1
261.12381	4.0
268.99573	1.5
269.09192	6.1
271.10788	15.4
273.12381	6.8
281.09305	2.4
283.01257	2.2
287.10278	82.0
288.10974	2.0
289.11801	12.8
293.16092	4.8
299.10287	28.7
301.02322	1.7
301.11926	7.4
311.01001	1.5
317.11337	100.0
335.12393	59.7
335.16531	1.9
345.04068	1.3
353.13010	2.9
383.17328	1.3
479.16357	4.1
500.65469	1.4
515.17786	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.05520	18.2
56.96552	5.0
57.03436	6.9
57.07062	4.8
61.02917	6.4
65.03924	3.0
67.05508	86.5
69.03419	6.5
69.07066	16.2
69.78360	3.9
69.78759	10.6
70.99476	1.9
71.04987	2.6
73.02915	3.5
75.04479	3.6
79.05068	3.4
79.05499	54.4
81.03413	6.5
81.07061	100.0
83.04988	4.1
83.08617	10.0
85.02897	8.4
85.06525	3.6
91.03948	3.2
91.05489	30.0
93.07045	68.9
93.07631	3.5
94.07387	2.4
95.04965	3.0
95.08611	72.9
97.02894	6.2
97.06519	6.8
97.10169	5.2
98.97582	6.7
99.08092	3.2
100.48782	2.1
105.07032	28.6
107.08605	41.1
108.08871	2.3
109.06507	5.9
109.10159	39.7
111.08103	3.5
112.99109	4.2
114.81541	2.1
117.07026	11.1
119.08595	21.8
119.43739	2.3
121.06526	2.4
121.09340	2.5
121.10149	32.1
123.08045	5.9
123.11729	19.2
125.09581	2.4
129.07022	4.3
131.00162	6.0
131.08562	27.2
133.10126	21.3
135.11700	35.2
137.09621	4.3
137.13234	8.2
139.11166	2.3
143.08589	2.3
145.10133	18.9
147.03093	3.9
147.11717	13.3
147.53354	2.1
149.01225	5.0
149.13280	24.0
151.07443	2.1
151.11282	2.2
156.03607	7.8
157.10103	2.9
159.11705	15.3
161.13293	8.7
161.48166	2.7
163.11121	2.6
163.13603	2.5
163.14833	16.0
171.11766	3.3
173.13261	19.4
175.14830	6.7
177.12779	3.0
177.16298	5.5
187.14850	7.2
189.16371	6.5
197.13112	2.7
201.16496	4.0
205.15805	3.9
207.17393	2.5
219.17363	2.6
235.16969	5.6
243.21107	24.9
261.22153	86.7
277.13797	11.2
277.63956	11.0
279.23230	5.9
293.05374	2.3
301.21765	2.3
303.23172	3.6
317.17859	4.4
318.18109	2.8
335.25836	26.9
345.24292	3.3
353.26935	19.3
389.15909	2.1
396.09360	2.4
405.26340	2.4
419.28168	3.0
443.28207	3.6
479.30438	4.5
497.30777	12.7
505.81592	7.9
506.31738	3.1
515.32623	8.9
515.36578	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05518	28.0
57.03427	13.0
61.02925	8.1
65.03938	4.2
67.05505	87.3
69.03427	14.3
69.07060	24.2
70.10025	19.5
71.04984	6.7
79.05491	64.7
80.47443	4.1
81.03400	16.5
81.07057	100.0
83.04975	6.6
83.08620	17.1
85.02894	12.1
86.58432	4.5
91.05481	43.0
93.07050	70.5
95.04944	8.6
95.08621	83.1
96.54872	4.0
97.02894	8.0
97.06538	13.2
97.10135	5.3
98.20773	5.9
105.07039	31.4
107.04913	4.5
107.08595	37.1
109.06539	10.5
109.10155	33.8
111.04352	4.7
117.07011	15.1
119.08588	34.6
121.10146	41.5
122.47021	4.7
123.08069	4.7
123.11707	15.4
129.06981	6.9
131.08556	27.3
133.10153	24.3
135.11717	26.1
137.13187	6.0
141.43538	4.5
143.08531	5.6
144.09312	4.5
145.06425	5.0
145.10120	22.9
147.11646	20.9
149.13251	16.7
151.11301	4.6
159.11684	19.0
161.13284	15.2
163.14867	8.2
171.11705	6.2
173.13255	17.9
175.14908	7.2
177.12794	6.7
187.14894	11.9
195.13684	4.7
203.14255	5.3
243.21045	16.9
261.22156	73.9
269.17560	7.7
270.17920	5.8
279.23047	5.6
285.17142	5.7
303.23175	5.7
335.25629	20.6
341.23596	4.4
353.26764	22.4
369.24222	8.8
419.28345	6.9
443.27734	6.0
461.29346	5.7
479.29880	7.9
480.30203	11.9
497.31039	14.8
515.25861	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75430	1.0
51.88298	0.9
55.05498	5.0
57.07055	1.4
67.05496	4.9
69.07063	6.5
72.56599	1.0
79.05489	5.3
81.07061	15.3
82.11165	1.4
83.08604	4.0
91.05489	5.2
93.07044	14.1
95.08612	17.3
97.10201	1.4
100.15695	1.0
105.07036	12.8
107.08595	18.7
109.06535	1.7
109.10153	9.9
117.06982	2.5
119.08575	21.8
121.06526	1.1
121.10134	13.5
123.08049	3.5
123.11728	6.6
129.07042	1.5
131.08559	6.7
133.10139	17.2
135.08115	1.1
135.11696	13.5
137.13242	2.0
143.08542	2.0
144.09370	1.7
145.10138	12.9
147.11693	18.7
149.13245	6.9
157.10104	3.3
159.11705	9.7
161.13235	8.5
163.14810	4.6
171.11685	2.3
173.13287	5.3
175.14821	6.0
177.16353	5.3
179.10667	1.2
185.13264	2.5
187.14853	11.2
189.16394	32.5
191.17970	5.3
199.14909	2.9
201.16388	24.5
203.17966	11.5
205.15913	10.1
205.19621	2.2
207.17311	1.3
213.16353	2.2
215.17924	6.6
216.81635	1.2
217.19557	1.5
219.14020	1.3
219.17278	2.4
229.19463	2.3
241.19501	3.5
243.21001	3.1
247.16901	8.3
249.18428	3.1
251.16348	1.7
253.19600	1.2
255.21098	8.5
257.22632	1.9
269.22699	2.6
285.22757	1.3
287.19989	1.6
301.21509	3.1
373.27457	5.4
391.33377	4.3
399.28952	5.0
437.28857	1.5
437.34235	13.1
451.35815	3.9
469.36786	100.0
470.37036	2.1
497.36313	1.7
515.37329	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72461	1.9
55.05510	3.8
57.07062	2.2
67.05511	4.6
69.07061	7.7
70.58824	3.3
70.59213	3.3
72.83712	1.8
79.05501	5.5
81.07069	15.2
83.08646	2.2
91.05486	6.5
93.07037	13.4
95.08615	19.9
97.10197	2.6
105.07053	10.8
107.08581	17.0
109.10189	10.2
111.08110	2.1
119.08598	15.6
121.10138	16.6
123.11715	2.5
131.08577	6.6
133.10118	10.7
135.11678	9.4
138.47539	1.6
145.10138	10.0
147.11688	11.2
149.09604	1.6
149.13275	9.2
159.11716	6.3
161.13269	8.0
163.14824	11.6
171.11658	3.1
173.13318	3.6
175.14851	2.0
177.16383	14.7
185.13307	2.1
187.14853	14.5
189.16371	38.3
191.17969	6.0
201.16409	5.6
203.17992	2.4
205.15874	100.0
215.17886	3.7
217.19469	3.1
219.17430	4.4
227.17809	2.4
229.19391	2.7
249.18494	7.1
255.21104	5.3
269.22516	2.0
391.33279	3.3
409.34659	4.0
451.35568	13.9
469.36813	71.7
515.37830	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	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03945	3.3
55.01858	1.6
55.05511	14.2
57.03444	4.7
57.07061	1.7
63.02352	0.4
65.03933	1.9
67.05505	40.4
69.03413	0.8
69.07067	12.2
69.23911	4.1
70.19437	0.4
71.01333	1.7
71.04985	3.0
77.03895	0.9
79.05493	41.4
81.03419	2.3
81.07056	34.0
82.07389	0.5
83.04984	4.4
83.08621	5.1
83.63995	0.5
85.06542	1.8
90.22141	0.4
91.05478	23.5
93.07043	46.6
95.04956	4.2
95.08604	21.0
97.06529	6.1
97.10172	6.7
99.08087	1.1
103.05434	0.8
105.04502	1.3
105.07034	14.2
107.04954	1.3
107.08595	26.4
109.06519	1.4
109.10155	9.6
111.08080	1.7
115.05415	0.8
117.07024	9.5
119.08586	13.4
121.06503	1.3
121.10140	15.2
123.08047	1.0
123.11708	2.1
125.09618	1.1
129.07008	2.0
130.07788	1.1
131.07611	0.7
131.08571	10.2
133.10130	8.8
135.08130	0.5
135.11693	30.0
137.09677	1.1
139.07520	0.7
139.11177	0.5
141.06981	0.8
143.08571	4.1
145.10127	13.1
147.11682	4.8
149.13243	3.9
153.12738	1.5
155.08557	1.6
156.09560	0.5
157.10114	4.0
159.11697	5.6
161.13242	3.0
163.11182	3.1
163.14844	1.0
165.12791	0.5
169.10114	1.9
171.11664	2.7
173.13271	4.5
175.14844	1.1
177.16408	1.0
181.10275	1.1
181.12241	4.9
183.11708	1.9
185.13228	2.6
187.14801	3.0
189.16389	1.0
195.11748	0.7
197.13293	0.7
199.13261	0.7
199.14832	1.5
201.16388	1.1
209.13228	0.8
213.16470	0.7
215.18002	0.8
223.14751	0.7
225.16408	0.7
243.21146	1.1
261.19577	0.7
261.22101	4.6
271.20609	0.7
299.23828	0.8
301.21692	0.6
311.23715	0.5
317.24731	1.4
405.31595	1.8
423.32523	4.5
441.33682	2.1
479.35303	0.7
497.36258	4.1
515.37335	100.0
516.37610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.374
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
51.22754	0.9
53.03955	5.6
55.05518	14.1
57.03448	6.1
57.07074	2.3
65.03942	2.1
67.05513	44.5
69.07079	12.7
69.36045	5.9
71.01369	2.1
71.04995	3.4
76.58324	0.9
76.58759	1.1
77.03925	1.0
77.17440	1.0
78.08311	0.9
79.05503	38.2
81.03421	3.5
81.07066	32.8
83.04990	4.6
83.08633	5.0
85.06545	1.9
91.05492	24.9
93.07057	50.2
95.04991	4.4
95.08053	1.9
95.08622	20.9
97.06558	6.8
97.10180	6.1
98.20789	2.5
99.03532	1.0
105.04536	1.2
105.07048	14.7
107.04967	1.4
107.08608	27.5
109.06542	1.1
109.10178	10.0
111.08097	2.0
114.10338	1.0
115.96661	1.2
117.07024	8.2
119.08598	14.4
121.10160	14.9
123.11662	1.2
129.07008	2.2
130.07715	1.1
131.08582	11.3
133.10135	10.3
135.08089	1.0
135.11719	32.0
137.09676	1.7
143.08614	4.5
145.10132	13.4
147.11729	4.5
148.87874	1.0
149.13306	2.1
153.12772	2.3
155.08585	1.7
157.10179	4.0
159.11723	7.4
161.13286	4.0
163.11243	2.3
169.10118	1.2
171.11725	3.4
173.13367	4.4
175.14912	1.6
181.12241	6.6
183.11723	2.0
185.13327	3.1
187.14865	2.8
191.18092	1.4
197.13390	1.1
201.16498	2.1
215.17992	1.3
261.22205	3.8
271.20871	1.4
276.11658	1.3
317.24905	1.7
317.76236	1.0
423.32666	4.6
441.33475	2.1
497.36441	2.0
515.37476	100.0
516.37970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28653	4.8
67.05499	6.5
69.07053	10.7
69.58213	20.3
69.58626	9.5
79.05479	9.0
81.07063	20.9
81.07526	5.6
83.08601	7.6
87.04535	5.1
93.07041	12.0
95.08624	34.7
96.81812	4.8
105.07034	14.6
107.08581	26.0
109.10153	12.7
113.83563	4.6
116.76698	4.4
119.08583	36.5
121.10146	14.1
131.08615	7.9
133.10156	24.6
135.11687	6.8
141.56122	4.5
145.10092	19.0
147.11707	14.0
149.13251	15.4
159.11650	12.4
161.13263	7.5
163.14838	27.2
171.11736	5.1
173.13295	11.0
175.14847	19.6
177.16443	6.5
185.13403	5.6
187.14854	45.5
189.16356	51.6
201.16376	33.9
203.17996	15.1
215.17964	19.0
227.17914	15.2
229.19595	7.6
247.16888	12.1
261.18579	27.0
377.32007	19.9
423.32684	100.0
441.33591	63.1
453.33527	7.8
516.41046	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.0
65.35178	6.3
67.05508	19.9
69.07063	20.7
71.54612	7.2
79.05493	24.1
81.07069	58.5
83.08627	11.1
91.05482	15.8
93.07050	35.7
95.08614	100.0
98.49921	5.9
105.07040	21.8
107.08603	44.1
109.10182	63.7
110.20403	5.7
119.08604	51.7
121.10181	40.0
123.11723	14.2
133.10135	29.5
135.11723	56.6
138.75024	5.7
145.07216	5.6
147.11682	21.6
149.13301	16.7
153.09103	13.8
159.11670	9.6
161.13327	13.9
175.14861	6.4
176.23605	6.5
177.16400	9.6
186.45551	5.3
187.14920	7.4
189.16380	97.3
191.17972	82.1
201.16461	6.1
209.19040	38.3
235.16917	10.3
249.18518	85.2
285.22086	7.8
295.42654	6.6
421.34381	12.4
425.18900	6.8
439.35046	25.2
457.35931	6.7
468.56381	6.8
469.36865	6.7
481.37103	16.9
499.37616	9.2
517.37939	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47015	3.5
55.05502	9.8
57.47577	3.9
67.05493	13.3
68.49871	3.5
69.07076	19.7
71.54526	3.9
75.04472	3.7
79.05508	5.3
81.07050	30.0
91.05507	6.7
93.07056	18.0
93.75707	3.1
95.04951	7.1
95.08598	52.7
97.06478	4.3
97.10150	5.3
105.07024	46.0
107.08570	23.3
109.06502	6.4
109.10174	23.9
111.08108	5.1
111.11722	15.3
119.08576	36.7
121.10135	30.4
123.11700	13.3
125.06004	4.5
131.08554	7.2
133.10126	24.6
134.82431	3.5
135.11688	33.6
139.11118	7.0
143.08548	6.9
145.10106	8.0
147.11710	12.4
149.13257	5.4
157.10109	16.9
159.11716	13.7
161.09775	3.3
161.13254	10.5
170.10750	4.2
171.11690	14.5
173.13297	14.5
175.11224	3.9
175.14813	72.7
185.13251	3.9
187.14862	4.7
189.12805	5.6
189.16380	9.9
191.17966	79.7
203.17943	10.1
207.13811	5.8
209.19011	100.0
213.16388	18.7
231.17404	28.1
249.18533	33.1
309.20639	4.9
319.39081	3.6
430.25647	3.6
455.78754	3.9
481.36957	4.2
499.37390	4.2
517.38416	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	518.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
54.02242	0.8
55.01874	9.6
55.05526	1.0
56.58836	0.7
57.03441	17.4
59.05006	1.8
61.02930	12.1
67.05515	1.9
69.03432	27.8
69.07056	0.7
69.23647	5.9
71.01366	3.5
71.04996	2.0
72.04501	0.8
73.02920	34.6
74.89963	0.6
77.03928	1.0
79.05495	25.1
81.03417	7.4
81.07071	1.5
83.04974	1.6
85.02909	78.5
85.06547	32.6
87.04470	4.3
91.03960	4.3
91.05488	1.4
93.07034	1.3
95.04964	3.5
95.08607	1.3
97.02897	40.8
97.06526	1.0
98.21455	1.4
99.04463	4.0
103.03963	2.3
105.03394	40.8
105.04541	1.4
105.07018	0.8
107.08590	0.6
109.02879	6.3
109.06537	2.6
111.04473	1.1
113.06072	0.7
115.03937	18.4
117.07076	0.8
118.27138	0.6
121.06504	1.2
123.04433	100.0
127.03922	22.5
129.05498	1.0
132.06596	1.7
133.04967	24.3
133.06490	1.4
135.08090	2.2
145.04962	38.8
150.07642	2.6
151.07443	0.8
153.09071	0.7
163.06032	17.3
163.07410	1.6
165.09030	0.8
181.08583	1.4
189.09109	12.8
199.06108	1.1
199.09665	5.0
207.10162	1.1
211.09650	0.9
217.06982	1.1
219.06500	1.2
223.05956	1.6
227.72510	0.6
229.10732	3.6
230.32137	0.6
241.07083	2.7
247.11586	1.0
259.08185	4.6
277.09149	1.1
285.09662	5.6
295.10300	2.0
518.20392	0.9
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
52.96637	0.1
55.05514	0.1
56.05032	0.6
57.03426	0.2
58.06630	0.5
59.07375	0.1
60.08163	5.8
65.03926	0.1
67.05515	0.6
69.07050	0.1
71.07370	3.2
79.05482	0.3
81.07051	0.4
86.09705	29.8
91.05476	0.1
93.07025	0.4
95.08611	0.3
98.98463	2.9
104.10043	0.1
104.10745	2.7
107.08585	0.2
109.10182	0.1
119.08601	0.1
125.00003	21.1
129.31892	0.1
131.08516	0.1
135.11736	0.1
143.01111	0.2
166.06160	0.1
180.31790	0.1
184.07336	100.0
185.07706	0.1
229.43610	0.1
239.83432	0.1
246.77635	0.1
258.02808	0.1
258.11032	0.2
335.25873	0.2
362.68100	0.1
500.31372	1.2
505.75165	0.1
518.32404	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	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82952	0.2
53.22544	0.2
55.05507	1.1
56.05047	1.7
57.03444	0.5
58.06358	0.3
58.06572	1.1
59.07383	0.3
60.08170	17.2
67.05510	2.9
69.07077	1.0
70.06609	0.4
70.53869	0.2
71.07381	7.3
73.03387	0.2
79.05498	1.7
81.07067	2.6
86.09715	50.7
91.05491	1.2
91.59805	0.2
93.07058	1.9
95.08614	2.2
98.20736	0.7
98.98476	4.2
104.10754	100.0
105.07068	0.7
107.08637	0.9
109.10188	0.8
119.08600	0.5
121.10168	0.9
125.00018	29.2
131.08614	0.4
133.10156	0.8
135.11699	0.3
137.00098	0.2
145.10225	0.4
147.11681	0.4
159.11658	0.3
161.13332	0.3
163.01613	0.7
181.02637	0.2
184.07356	90.8
199.03697	0.4
258.11038	1.3
266.08102	0.3
335.25909	0.8
500.31400	8.1
518.32489	33.5
519.33185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2936
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.05494	1.7
57.07064	0.9
61.70698	0.8
67.05508	4.9
69.03397	1.2
69.07056	1.6
70.49632	2.3
71.05036	0.8
79.05495	3.5
81.03429	1.1
81.07076	4.3
83.08643	1.1
89.58232	0.9
91.05459	1.5
93.07070	4.1
95.08605	3.8
98.20818	1.5
105.07042	1.8
107.04943	1.0
107.08613	2.7
109.10152	2.9
110.62286	0.9
111.08072	1.1
119.08604	2.6
121.10205	1.5
131.08560	1.9
133.10130	1.9
135.08075	1.0
135.11717	1.4
147.11662	1.1
167.05618	1.0
235.13129	2.7
251.12624	3.5
291.15665	4.1
291.19446	1.1
296.10284	0.9
307.15176	2.1
341.91107	0.9
395.02661	0.8
519.29291	100.0
536.06085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22461	5.7
53.03945	7.9
55.05511	30.1
57.07083	6.4
67.05518	46.4
69.07072	52.8
79.05500	38.2
81.03416	10.2
81.07063	64.7
83.04965	6.3
83.08624	27.5
91.05475	19.8
93.07060	57.7
95.04973	8.3
95.08611	100.0
97.06532	5.4
97.10170	13.2
98.20732	14.0
99.78059	5.6
105.07039	39.5
107.08603	68.4
109.10165	68.6
111.11731	7.0
119.08592	47.6
121.10182	55.6
123.11695	26.3
131.08582	18.0
133.10165	32.4
135.11705	58.1
136.36848	6.0
137.13263	13.8
139.47618	4.7
143.08560	6.5
145.10123	35.0
147.11746	26.0
149.13280	18.6
149.40152	6.0
157.10176	5.5
159.11671	28.2
161.13235	28.0
161.73669	5.9
163.14847	18.9
171.11676	8.7
173.13261	19.4
174.13495	5.2
175.14853	29.0
177.16400	33.6
184.37990	5.2
185.13338	8.1
187.14777	26.4
189.16316	37.7
191.17886	27.4
201.16422	22.6
203.17979	16.7
205.19566	7.3
213.16307	10.0
215.18025	31.0
217.19548	12.5
219.17464	88.2
224.78912	5.8
229.19508	6.8
231.21133	14.9
233.19075	7.1
243.21101	27.4
247.37592	5.6
255.21082	16.6
257.22867	5.9
269.22638	7.9
283.24167	7.2
368.69583	6.5
378.22760	7.4
393.35318	35.7
395.36996	8.9
405.35208	39.8
423.36334	40.0
453.37338	92.1
465.37128	19.4
483.38437	11.2
519.40601	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	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.0
55.01864	2.6
55.05500	8.6
57.03451	11.3
57.07082	2.4
59.04988	4.0
61.02906	2.3
67.05507	10.8
69.03437	34.5
69.07067	10.6
70.64424	4.7
70.64757	2.4
71.04691	1.8
71.05006	17.8
73.02912	4.8
79.05479	11.8
81.03407	9.1
81.07071	26.3
82.07406	2.7
83.04979	5.0
83.08595	3.4
85.02432	3.2
85.02915	34.9
85.06524	6.0
87.04478	19.5
91.05486	17.4
93.07053	26.5
95.04964	7.0
95.08617	26.5
97.02895	30.7
97.06527	8.9
99.04448	9.1
99.08078	4.8
105.07040	65.7
107.04964	5.2
107.08597	30.0
108.08920	3.2
109.02864	6.9
109.06522	9.5
109.10155	20.3
111.04442	2.8
111.08093	2.9
115.03934	27.2
115.07618	3.0
117.07012	4.2
119.08579	36.8
121.06496	4.7
121.10135	22.6
123.08085	12.5
123.11686	6.8
125.09641	11.2
127.03943	14.7
127.11250	4.3
129.07056	2.8
131.08578	30.6
133.04991	31.9
133.06454	2.3
133.10141	82.3
135.08051	9.6
135.11696	5.6
137.05989	4.5
139.11179	2.3
143.08542	5.1
143.10677	15.1
145.04950	6.8
145.10147	24.8
147.04393	2.1
147.11700	66.1
149.09596	6.2
149.13225	12.2
151.11217	3.6
157.10109	4.2
158.10872	3.0
159.08104	2.4
159.11720	6.4
161.09639	10.5
163.11189	17.7
163.14816	5.0
165.09201	2.9
165.12764	2.3
167.14339	27.1
173.13281	56.7
175.14841	37.2
177.12762	2.4
179.10681	18.9
189.09021	4.7
191.10648	7.9
191.14314	100.0
201.16409	4.2
203.14236	4.2
209.11691	4.3
209.15376	14.3
219.01704	3.0
219.17479	16.8
221.15495	4.8
227.12770	5.3
237.18462	4.2
239.16422	3.4
259.08197	4.6
322.24573	3.5
335.14761	4.8
351.14276	3.4
353.15784	3.1
358.13361	2.6
365.19382	3.3
377.75073	2.6
383.20642	4.2
411.71848	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45685	0.1
53.65469	0.1
55.05500	0.3
56.05037	0.6
57.03435	0.1
57.07090	0.1
57.48300	0.1
58.06318	0.1
58.06625	0.4
59.07126	0.1
59.07398	0.2
60.08165	6.1
67.05500	0.7
69.07060	0.4
69.26772	0.1
69.27180	0.6
71.07376	2.9
79.02579	0.1
79.05491	0.2
80.97415	0.1
81.07053	0.6
82.46367	0.1
83.08607	0.1
86.09707	29.2
91.05434	0.1
93.07045	0.2
95.08601	0.5
98.98463	3.0
104.10046	0.2
104.10745	3.0
107.08605	0.1
109.10171	0.2
110.76010	0.1
113.05929	0.1
115.03589	0.1
119.08572	0.1
121.10081	0.1
125.00005	21.2
143.01050	0.2
166.02780	0.1
184.07341	100.0
185.07726	0.1
203.09235	0.1
212.00162	0.1
258.11096	0.2
293.44260	0.1
299.50790	0.1
322.27942	0.1
337.27478	0.1
502.33020	1.0
520.34082	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	520.3402
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05510	1.0
56.05046	1.2
57.03429	0.3
57.26935	0.3
57.33410	0.2
58.06565	1.4
60.08168	18.2
62.69090	0.3
65.03931	0.3
67.05513	3.3
67.77982	0.3
69.07076	1.3
70.06607	0.3
70.64088	0.6
71.07379	6.7
79.05502	1.1
81.07061	3.1
83.08628	0.4
85.02960	0.3
86.09709	53.5
91.05503	0.8
93.07044	1.2
94.91003	0.3
95.08611	2.7
96.49464	0.3
98.98472	4.0
104.10750	100.0
105.07026	0.6
107.08575	0.7
107.40406	0.2
109.10176	0.7
114.28053	0.2
121.10172	0.3
123.11687	0.4
125.00011	28.0
163.01590	0.7
168.14238	0.2
175.14754	0.3
181.02538	0.3
184.07349	94.2
185.07716	0.3
236.90240	0.3
258.11005	1.1
337.27335	1.2
377.55515	0.3
460.64053	0.3
502.32941	8.8
520.34003	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	521.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
55.05515	1.7
57.03440	6.2
59.05000	2.7
59.84840	1.1
66.03410	1.0
67.05508	4.0
69.03433	22.2
69.07069	1.6
70.06173	4.1
70.06587	2.6
71.04996	5.8
73.02913	3.3
79.05505	1.6
81.03418	2.7
81.07067	5.5
83.04972	2.2
83.08625	2.0
85.02904	22.4
85.06554	8.0
87.04467	13.4
87.80971	1.0
91.05484	3.2
93.07060	9.9
95.04971	66.9
95.08614	4.3
97.02898	16.2
97.06554	6.4
97.07072	1.1
99.04457	16.7
99.08080	7.1
105.07035	10.0
107.04961	1.6
107.08609	10.7
108.04487	1.3
109.02834	1.4
109.06545	2.0
109.10162	20.2
115.03933	16.4
115.07570	7.7
119.08593	4.5
121.10137	7.2
123.04411	1.5
123.08084	2.0
123.11735	9.9
125.09622	2.1
127.03928	4.0
127.07552	5.0
127.11192	1.3
131.08578	6.1
133.04967	15.0
133.10136	52.3
135.08121	5.6
137.06017	1.4
139.11163	3.8
145.04980	3.2
145.10121	2.3
147.11694	3.4
149.09769	1.7
149.13272	5.0
151.11172	11.5
153.09109	30.5
158.10916	1.5
160.05035	3.3
163.14851	2.9
169.04999	1.1
169.12263	8.2
173.13274	21.3
177.05522	1.5
191.14311	38.9
191.16066	2.0
192.07637	1.6
197.11772	4.7
209.15376	100.0
209.84904	1.3
227.16423	33.6
273.66422	1.2
374.61960	1.1
434.87799	1.2
521.22308	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	521.2593
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.05510	3.6
58.81933	1.6
68.99137	1.5
69.03432	7.9
69.07074	2.8
69.67748	2.5
69.68154	6.4
79.05527	1.5
81.07073	2.1
83.04966	4.9
83.08614	2.7
85.02903	3.6
93.07049	3.7
95.08607	3.9
97.06561	1.7
97.10181	2.5
99.08111	4.9
100.87479	1.6
107.08597	9.5
109.10149	4.0
111.08038	2.1
121.10154	7.5
123.11705	1.4
125.05996	2.4
125.09622	33.8
133.04948	1.8
133.10132	2.4
135.08078	3.9
135.11670	1.7
137.09634	2.8
144.39507	1.4
149.09625	42.6
149.13289	5.4
151.11206	10.4
153.09077	8.5
154.09903	1.5
163.14812	6.1
163.37039	1.6
173.13264	5.2
191.14337	22.2
209.15381	100.0
227.16418	26.8
227.18542	2.6
242.20088	1.5
517.23816	1.5
531.66589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
55.05507	9.9
57.03443	8.4
59.04994	2.7
59.11331	1.9
61.02934	2.4
67.05506	3.9
69.03431	12.4
69.07065	5.9
71.04990	3.4
71.08505	2.9
73.02920	9.4
75.04522	1.5
78.59293	2.0
79.05492	4.0
81.07050	7.1
83.04983	27.6
83.08620	6.9
85.02913	13.8
85.06511	3.5
86.19198	1.6
87.04458	2.4
91.05492	4.1
93.07046	7.2
95.04942	2.9
95.08618	8.3
97.02898	9.0
97.06549	5.3
97.10175	2.9
99.04482	3.4
99.08102	3.6
101.05996	1.9
103.05469	6.5
105.07034	5.8
107.08592	28.7
109.06510	4.9
109.10169	27.9
111.08076	3.1
113.48529	1.5
115.03915	3.4
119.08630	2.8
121.06522	2.7
121.10159	19.6
123.11712	9.1
125.09612	13.3
127.03947	3.0
131.04921	9.0
131.08565	2.6
133.04970	5.1
133.10132	8.9
135.08069	5.1
135.11716	4.1
137.06015	5.9
137.09590	8.6
139.11189	4.9
145.04999	1.9
145.10153	1.9
146.82411	1.7
147.11644	4.0
149.09651	5.9
149.13257	14.1
151.11203	32.5
153.09209	2.1
161.06047	2.0
163.07552	4.4
163.14885	6.0
167.14317	22.8
169.12251	33.5
173.13251	10.6
191.14316	28.1
193.12317	2.1
209.15379	95.7
214.04974	3.1
223.35423	1.8
227.16426	100.0
237.14835	1.8
251.16522	13.1
330.06061	3.0
335.18597	2.7
353.19608	1.7
362.08658	2.8
521.18805	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.26
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
50.17748	1.3
55.01874	2.4
55.05508	1.6
56.96576	1.4
57.03426	6.1
57.03672	1.4
61.02929	2.5
67.05492	3.0
69.03436	7.8
69.07076	3.2
70.57734	2.9
71.01348	2.4
71.04990	4.4
71.11356	1.2
73.02927	8.1
79.05477	2.5
81.03421	1.4
81.07053	5.8
83.04955	1.4
83.06106	11.9
83.08624	3.1
85.02914	22.5
85.06541	6.0
87.04475	2.6
88.11290	1.3
91.05469	3.6
93.07075	8.3
95.04979	57.8
95.08617	4.0
97.02910	10.6
97.06537	4.7
99.04472	17.6
99.08110	7.0
105.07051	6.2
107.08604	9.7
109.02858	1.8
109.06528	4.1
109.10170	17.2
115.03934	5.1
115.07545	7.3
119.08602	3.8
121.10176	5.3
123.11702	8.0
125.09641	1.4
127.03918	3.4
127.07583	3.4
129.06625	15.8
131.08546	5.7
133.04959	6.8
133.10144	49.1
135.08060	4.8
139.03922	11.2
139.11157	3.9
145.04953	4.0
149.09669	2.0
149.13245	5.9
151.07533	3.8
151.11195	9.4
152.07884	2.9
153.01799	1.4
153.09111	29.2
155.01654	8.2
158.10941	2.3
163.06082	1.5
163.14877	2.2
169.12276	7.1
173.13287	19.5
183.01082	2.5
189.85020	1.2
191.12677	2.9
191.14340	42.3
199.07014	1.4
204.92072	1.4
209.15385	100.0
227.12816	1.5
227.16422	26.7
303.03409	1.4
383.09082	8.1
503.10965	1.6
521.12292	16.0
521.21918	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
69.03419	8.3
69.07072	3.1
70.62543	4.3
79.05472	2.3
81.07050	3.4
83.04966	3.7
83.08642	1.8
85.02905	3.4
89.79637	1.2
93.07064	3.0
95.08627	5.5
97.06560	1.6
97.10162	3.4
99.08100	5.5
105.06973	2.0
107.08602	11.2
107.45345	1.3
109.06491	1.7
109.10165	5.6
111.08110	3.0
120.07935	1.4
121.10186	8.0
125.09629	40.3
133.10152	3.6
135.08055	5.4
147.11674	1.6
149.09630	50.6
149.13290	5.1
151.11197	10.8
153.09123	11.8
154.09886	1.7
163.14848	6.5
165.12688	1.7
173.13245	4.1
191.14314	22.9
203.44072	1.5
209.15378	100.0
227.16455	27.9
274.50854	1.4
367.87775	1.6
371.20428	1.7
522.19208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01860	2.3
55.05511	25.4
57.03437	5.5
57.07079	5.5
64.93208	0.6
65.03932	1.6
67.05506	36.8
69.03423	1.7
69.07069	27.9
70.58972	1.4
70.59312	0.9
71.04993	4.1
71.08620	2.9
79.05069	1.3
79.05497	20.2
81.03421	33.4
81.07057	41.7
83.04990	7.5
83.08619	27.4
83.09116	1.4
85.02905	18.2
85.06544	1.8
85.10177	0.9
85.94396	0.7
88.22155	0.6
91.05482	17.1
93.07042	22.8
93.20162	0.6
95.04969	14.0
95.08611	26.4
97.02888	1.5
97.06549	3.1
97.10172	10.4
98.21514	0.6
99.08094	1.0
105.04530	0.7
105.07038	12.3
107.04951	3.7
107.08592	10.8
109.06509	2.4
109.10159	9.0
111.04458	1.5
111.08078	6.2
111.11705	2.7
113.05988	1.6
117.07021	1.0
119.08582	11.7
121.06490	0.8
121.10143	14.1
123.08024	1.1
123.11707	4.2
124.50816	0.6
125.09662	1.4
127.43880	0.6
129.07018	6.4
131.08575	4.8
133.06494	1.5
133.10117	6.2
135.08049	0.8
135.11688	9.4
137.13264	2.4
142.07813	0.8
145.10139	1.6
147.08070	2.5
147.11681	7.6
149.09656	2.3
149.13300	3.1
157.10141	6.0
161.13277	0.7
163.11143	1.2
163.14812	1.5
165.12720	2.2
171.11742	0.7
175.11200	7.2
184.07359	2.5
193.12247	30.9
197.13368	0.9
211.13290	38.6
219.21153	2.5
237.22148	5.3
239.98288	0.7
249.14824	0.8
253.26814	0.7
267.15872	6.8
285.17017	1.1
311.25882	5.9
402.19562	0.6
429.33765	1.9
503.37653	5.6
521.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01864	0.9
55.05513	22.1
57.03447	6.5
57.07084	6.9
60.08169	1.0
65.03940	1.2
67.05509	30.1
69.03435	2.1
69.07075	18.4
70.57800	2.4
71.04989	2.6
71.08633	2.1
77.91570	0.8
79.05502	20.9
81.02927	1.0
81.03424	30.4
81.07063	35.4
83.04983	6.6
83.08627	35.9
85.02908	17.0
85.06537	1.5
85.10178	1.3
86.09706	2.6
91.05490	16.3
93.07048	19.2
95.04975	15.6
95.08612	20.7
97.02890	2.3
97.06542	2.8
97.10169	6.2
99.08101	2.3
101.09630	1.3
104.10760	3.3
105.07049	10.6
107.04967	3.6
107.08606	9.6
109.06509	1.8
109.10155	7.5
111.04443	2.2
111.08093	6.8
111.11732	1.1
113.06056	1.8
115.05453	1.0
117.07013	1.8
119.08589	8.5
121.10149	15.4
123.08121	1.6
123.11735	4.4
125.05998	0.9
125.09651	3.3
129.07013	3.7
131.08595	5.3
133.06523	1.5
133.10155	4.3
135.11728	9.8
137.13306	2.2
139.11177	2.2
142.07805	1.7
145.10123	2.1
147.08058	1.6
147.11726	6.9
148.38380	0.8
149.09648	2.4
149.13264	2.5
154.94115	1.4
157.10156	6.0
163.14835	1.3
165.12729	1.5
172.95288	1.1
175.11226	6.3
184.07370	5.0
191.10771	1.0
193.12267	28.0
209.11700	6.3
211.13303	33.1
219.21170	3.0
227.12811	1.7
237.22174	5.1
267.15964	5.9
285.16986	2.1
311.25824	4.3
366.88431	0.9
429.33691	2.6
450.69760	1.1
503.37631	4.1
505.04144	0.8
521.38440	100.0
522.36578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.81018	0.8
55.01868	1.9
55.05512	19.6
57.03438	4.5
57.07078	8.0
60.71066	0.7
65.03941	1.4
65.73988	0.7
67.05504	28.4
68.91228	0.6
69.03419	1.7
69.07067	18.0
70.72113	1.1
70.72456	1.4
71.04983	2.7
71.08633	6.2
79.05497	18.4
81.03419	26.0
81.07057	33.5
83.04981	6.6
83.08621	29.4
83.09121	1.4
85.02905	12.6
85.06555	1.0
85.10178	3.1
91.05483	13.9
91.64217	0.8
93.07044	16.6
95.04966	12.7
95.08605	22.1
97.02915	1.5
97.06541	2.8
97.10178	7.4
99.08096	2.7
101.09679	0.8
105.07027	10.3
107.04949	4.4
107.08597	9.3
109.06523	2.3
109.10165	7.5
111.04491	1.6
111.08083	5.4
111.11685	0.8
113.05984	1.5
113.09640	0.8
113.41896	0.7
117.07044	1.9
119.08589	9.0
121.10135	14.5
123.08094	1.3
123.11734	4.0
125.09665	2.3
129.06973	4.8
131.08604	4.3
133.06540	1.2
133.10133	4.0
135.11665	7.2
137.09666	0.8
137.13301	2.1
139.11229	1.0
142.07796	1.0
145.10156	2.3
147.08093	0.8
147.11674	6.0
149.09634	2.2
149.13301	2.4
153.12793	1.0
157.10147	5.1
163.11240	3.3
165.12798	1.2
173.09660	0.9
175.11208	5.4
181.12228	1.2
191.10793	1.3
193.12245	21.9
209.11745	2.9
211.13297	29.4
219.21123	2.9
224.63310	0.8
227.12785	2.5
237.22173	3.9
239.23820	1.9
265.14478	1.4
267.15985	5.6
285.17062	1.2
311.25748	4.0
313.27493	1.4
384.50305	0.9
503.37555	5.2
521.38428	100.0
522.38538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44328	0.4
54.26238	0.4
55.05501	0.6
56.05040	14.2
57.03439	0.6
61.61275	0.4
66.04217	0.3
67.05492	1.2
68.05020	0.4
68.99792	1.2
69.03419	1.5
69.88057	1.0
69.88461	1.0
70.71765	0.4
71.04971	0.6
73.02901	1.0
79.05473	1.7
81.03426	0.9
81.07054	1.6
82.06584	0.9
83.04984	1.1
83.57550	0.4
84.08113	0.6
85.02905	1.7
86.06074	0.6
91.05482	1.3
93.07043	1.0
93.34608	0.4
95.04965	1.2
95.08627	0.9
96.08110	1.6
97.02866	0.6
97.06525	1.0
98.06077	0.8
99.04408	0.5
99.08090	1.4
103.05466	0.8
105.07046	0.8
107.04947	1.9
107.08622	1.1
108.08905	0.5
109.02899	0.6
109.06492	0.6
109.10168	0.9
110.06037	1.3
119.04936	1.8
119.08556	0.7
121.02893	0.7
121.06532	1.9
121.10143	0.7
122.10487	0.4
123.04434	17.7
123.05331	1.0
123.08044	0.5
124.07544	0.6
129.07057	0.5
131.04938	1.2
133.06471	0.9
133.10124	1.4
135.04408	2.0
135.08089	0.5
137.05959	1.9
139.03896	1.3
140.07013	0.4
145.06500	0.5
147.04416	9.2
149.06004	5.0
149.09689	0.5
151.03915	6.7
152.07086	0.5
152.94969	0.4
153.05463	0.8
153.09064	0.7
157.06526	0.6
158.08109	0.7
159.04362	0.9
161.05984	1.1
161.36981	0.4
162.70169	0.4
163.03885	1.5
163.07513	0.5
165.05482	17.7
166.08714	0.5
167.07024	1.0
170.08116	0.9
173.05956	0.9
174.05522	2.9
175.03940	1.1
175.07561	1.5
176.09196	0.6
177.05479	68.4
177.08972	1.2
179.07039	1.5
180.10187	0.5
187.07549	0.5
188.09195	5.3
189.05479	1.7
191.07021	0.6
191.14314	0.9
192.14638	1.0
193.15939	2.3
202.08669	1.5
203.07039	1.0
207.06525	2.1
209.15372	2.5
210.15718	1.7
214.10597	0.8
215.07024	1.1
217.08684	1.0
219.06566	0.6
220.09708	19.1
227.16415	2.5
228.16777	2.1
232.09682	1.0
233.08188	0.7
234.11311	2.3
245.07974	0.8
252.12379	1.8
257.08044	0.9
267.13351	0.4
269.08002	0.6
271.09720	0.5
285.07611	0.7
286.11368	0.4
298.10666	0.4
299.08984	0.5
311.09027	1.7
317.10263	1.5
329.10199	7.6
329.13867	0.6
334.12970	1.3
335.11276	0.5
336.63849	0.4
352.13834	4.1
370.15048	5.8
372.14435	7.2
386.15915	0.5
404.17010	1.2
469.14890	0.6
504.18689	7.2
505.17947	0.5
522.19733	100.0
523.19818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70214	0.4
56.05038	14.9
60.04519	0.7
68.99780	1.0
69.03418	1.0
69.07065	0.6
70.06582	0.9
70.68917	0.8
70.69253	0.7
79.05477	1.2
81.03410	0.9
81.07034	0.7
82.06564	0.8
84.08140	0.7
85.02882	1.6
86.06005	0.5
88.93945	0.4
91.05470	1.7
93.07063	1.0
95.04952	0.9
96.08122	1.6
97.02885	0.6
98.97569	0.6
103.05447	1.0
105.07030	1.1
107.04993	1.9
107.08596	0.7
110.06043	0.5
112.07558	0.6
119.04974	2.0
121.06481	1.9
122.06050	0.7
123.04430	17.3
124.07615	0.5
125.09602	0.6
129.06985	1.1
131.04964	0.9
133.06496	0.9
135.04422	1.2
135.46779	0.4
136.07565	0.8
137.05957	1.4
139.03885	1.8
145.06441	0.6
147.04413	7.8
147.08023	0.9
148.07585	0.6
149.05975	5.3
149.09598	1.2
151.03900	5.3
153.05516	0.6
159.04390	0.9
161.05972	1.5
162.09142	0.4
163.03920	1.6
163.07555	0.8
165.05486	20.4
167.07045	0.8
173.05994	1.1
174.05476	3.4
175.03900	0.6
175.07559	2.0
177.05478	69.8
177.08998	1.7
178.08684	0.5
179.07065	1.2
180.10143	0.7
181.64777	0.4
187.07695	0.6
188.09169	2.7
189.05472	1.2
190.14185	0.5
191.07059	0.9
192.14583	0.5
195.06581	0.7
196.09779	0.4
197.11841	0.6
198.02303	0.8
201.09131	0.4
202.08679	1.3
203.07063	1.1
204.10156	0.4
207.06502	1.4
209.15417	1.2
210.15791	1.3
213.05460	0.5
214.10832	0.6
215.06993	0.7
216.10234	0.6
217.08601	1.3
220.09697	24.0
221.08078	0.4
227.06952	0.4
229.08679	0.7
234.11247	2.9
239.28967	0.4
252.12311	2.6
257.08124	0.5
275.09317	0.4
285.07574	1.1
298.10892	0.5
299.09201	0.9
303.08588	1.0
311.09201	1.6
316.11835	1.2
317.10309	2.0
329.10211	8.7
334.12881	1.2
335.11368	0.6
352.13831	2.2
370.14941	5.6
372.14444	8.1
386.16022	0.4
404.17130	1.7
486.17773	0.9
504.18692	7.3
522.19751	100.0
523.20514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.2
53.90415	0.9
55.01875	4.0
55.05507	3.1
57.03439	6.8
61.02930	2.3
65.03935	1.5
67.05513	3.9
67.73741	1.1
69.03433	12.8
69.07076	5.4
70.04080	19.1
71.01356	1.5
71.04992	3.3
71.54984	1.4
73.02914	10.2
73.94047	0.9
79.05493	3.9
81.03417	4.5
81.07061	13.8
82.07435	1.3
83.04981	1.9
83.08620	1.7
85.02905	21.8
85.06557	1.5
87.04472	2.6
91.03954	1.1
91.05486	4.3
93.07042	9.8
95.04987	2.6
95.08610	21.0
97.02891	12.5
97.06550	1.4
99.04481	2.1
99.08099	5.8
105.07030	13.8
107.08596	12.0
108.08929	1.1
109.02890	3.0
109.06516	3.0
109.10152	6.4
111.20457	0.9
113.09628	1.5
115.03947	8.0
117.07051	1.2
119.08588	55.5
121.02874	22.2
121.03858	1.1
121.06492	1.1
121.10175	3.5
122.10400	1.0
123.08050	3.3
123.11696	7.0
124.12070	1.7
125.09645	3.0
127.03951	6.5
127.98803	0.9
131.08495	1.2
133.04990	7.2
133.10135	92.6
135.11705	23.0
137.05971	3.9
137.09601	2.7
138.06306	1.3
139.03886	2.1
141.09123	2.0
141.68126	1.0
145.04951	6.3
145.10136	1.3
147.11684	2.6
149.13275	1.2
150.07613	2.7
151.11221	1.2
153.08983	1.1
161.05952	2.5
161.09628	2.6
162.06425	1.1
163.05984	2.3
165.12740	1.9
167.07010	2.4
175.14836	100.0
176.15132	1.4
179.10724	1.2
180.07689	1.1
193.15895	28.0
201.37880	1.2
207.10155	1.8
209.08064	1.6
211.16936	79.1
217.07175	1.5
240.13445	35.8
247.92029	1.1
259.08148	1.2
283.08170	1.6
296.10757	1.0
306.25174	1.3
484.11154	1.1
498.15994	0.9
522.21143	2.0
542.95776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
56.05031	0.5
57.03421	0.1
58.06622	0.5
59.07383	0.2
60.08162	6.1
67.05498	0.3
68.90665	0.1
69.07071	0.6
69.36456	0.4
69.36880	0.3
71.07370	2.9
79.05463	0.2
81.03415	0.1
81.07060	0.4
82.04486	0.1
83.08612	0.4
86.09702	30.4
91.05474	0.1
93.07045	0.3
95.08594	0.6
97.10157	0.2
98.21559	0.2
98.98462	2.9
104.10741	3.1
105.07051	0.1
107.08614	0.1
109.10161	0.3
112.99049	0.1
113.56303	0.1
121.10140	0.3
123.11687	0.1
125.00000	20.8
127.02770	0.1
135.11646	0.1
143.01006	0.1
163.01590	0.1
184.07332	100.0
189.95074	0.1
214.45033	0.1
258.11093	0.2
278.23032	0.1
339.29016	0.2
391.52982	0.1
504.34415	1.1
522.35590	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	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.03924	0.4
55.05511	3.7
56.05030	1.6
57.03431	1.0
57.07058	0.9
58.06574	1.8
60.08163	17.1
67.05509	3.5
67.63386	0.3
69.07069	4.1
69.85717	1.7
70.06570	0.4
71.07375	6.7
71.08627	0.7
79.05483	2.3
80.05822	0.5
81.03424	1.9
81.07056	4.5
82.03699	0.4
82.07388	0.7
83.04990	0.4
83.08620	3.3
84.08958	0.5
85.02921	1.2
86.09705	51.6
87.38531	0.3
91.05471	1.3
92.05791	0.5
93.07043	2.8
95.04987	0.8
95.08606	2.7
97.06574	0.4
97.10180	1.0
98.85635	0.4
98.98466	3.6
104.10743	96.8
105.07030	0.6
107.08578	1.1
109.10166	1.0
111.08038	0.6
116.40915	0.3
119.08553	0.9
119.14059	0.4
121.10148	1.7
123.11729	0.8
125.00006	27.7
131.08559	0.4
133.10117	0.4
135.11679	1.1
149.13231	0.6
184.07339	100.0
193.12193	1.4
194.12569	1.0
211.13237	1.5
212.13568	1.1
220.21417	0.4
258.10947	1.0
264.70261	0.3
339.28879	1.1
445.27203	0.5
504.34351	9.9
522.35327	38.0
523.36224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39138	2.0
55.01850	1.9
55.05507	5.0
56.96556	2.6
57.07084	2.3
67.05485	7.3
69.07044	5.7
69.39189	15.2
71.92515	2.1
72.17071	2.2
79.05493	4.0
81.07062	19.1
83.08626	3.3
84.53115	2.0
85.06546	3.0
86.09698	5.2
87.17940	1.8
91.05464	5.3
93.07056	9.8
93.16697	2.1
95.04952	2.5
95.08608	34.2
97.06527	4.5
98.97575	2.2
105.07023	13.6
107.08588	20.6
109.10168	16.1
111.08106	4.5
119.08613	15.4
121.10138	13.7
123.08028	3.5
123.11720	34.3
124.99986	4.9
127.00490	2.3
133.10139	32.8
135.11699	18.6
137.09619	2.8
137.13257	5.8
139.07533	6.9
145.10124	5.1
147.11693	14.9
147.12747	2.8
149.13257	5.8
150.90758	2.0
151.11194	3.5
161.13365	9.7
163.14832	4.3
164.80208	2.1
173.13235	5.1
175.14839	9.9
179.14203	2.2
184.07365	17.4
185.07706	7.9
186.07773	4.4
189.16364	37.9
191.14305	6.3
191.46049	2.2
207.17407	14.9
209.15421	3.6
217.15900	9.3
234.18600	10.1
235.16937	100.0
252.19591	34.7
253.17995	65.9
270.20764	3.5
337.27487	3.7
522.31921	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
54.12399	0.4
55.01887	0.5
55.05520	1.9
57.03433	1.6
57.07064	0.6
61.02924	0.9
64.34750	0.4
67.05506	2.2
69.03438	4.0
69.07059	2.7
69.82672	0.4
70.06604	1.0
71.04983	0.8
73.02917	1.6
74.91776	0.4
79.05486	1.0
81.01263	0.4
81.03419	0.7
81.07072	4.3
83.04980	1.6
83.08624	1.6
85.02906	3.6
85.06547	1.5
87.04475	0.9
91.05492	1.1
93.07036	2.6
95.04972	1.0
95.08623	3.9
97.02898	1.7
97.06539	0.6
97.10173	0.7
98.97568	0.4
99.08110	0.9
105.03398	0.5
105.07040	1.6
107.04951	0.9
107.08589	2.5
109.06520	0.8
109.10170	4.6
111.08111	0.4
111.11725	0.9
115.03952	1.0
118.71671	0.4
119.08625	1.8
120.73898	0.5
121.10188	2.2
123.08031	0.7
123.11732	2.2
125.09652	1.0
127.03769	1.2
127.11212	1.6
131.04890	0.4
131.08629	0.8
133.04965	0.8
133.10136	1.1
135.11728	1.4
137.06004	3.8
137.09615	0.8
139.11201	1.0
143.10588	0.5
145.10168	0.7
147.04402	0.8
147.11717	1.2
149.09615	0.5
149.13304	1.3
151.07593	0.4
151.11246	0.7
151.14836	0.4
153.12807	0.5
155.03191	0.8
155.18367	0.4
161.06055	0.5
161.09636	0.6
161.13278	0.6
163.07628	0.4
163.14835	0.6
165.09158	1.7
167.06950	0.7
167.14354	1.1
169.04784	1.3
169.12280	1.7
173.04218	0.4
175.07608	0.5
175.14894	1.0
185.15482	1.0
189.09085	0.4
193.16029	0.6
211.16945	5.4
229.06944	0.9
229.15735	0.6
229.18013	11.5
269.10056	1.5
289.25558	0.9
301.08994	1.1
307.26306	1.6
307.36243	0.4
317.08524	1.4
325.27396	1.3
333.07968	1.6
401.14236	37.3
402.14529	0.5
523.17914	100.0
524.18567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.275
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01863	5.7
55.05513	3.2
56.05038	2.7
57.03431	7.7
57.07049	3.2
59.34501	1.7
61.02916	2.4
61.12498	2.0
62.68523	2.0
64.12266	1.9
67.05486	4.5
69.03436	11.1
69.07065	7.3
70.97669	3.0
70.97978	2.9
71.04987	5.3
73.02903	5.8
79.05474	3.4
81.07066	20.2
85.02913	21.7
91.03953	2.1
91.05461	4.8
93.07030	9.2
95.08612	18.2
97.02892	15.4
99.04479	1.9
99.08112	2.9
105.07027	7.6
107.08609	15.2
109.10156	12.3
111.04368	2.1
115.03922	4.2
115.07584	3.5
119.08591	29.5
121.10152	50.3
123.04402	3.7
123.08087	4.9
123.11712	100.0
127.03901	7.6
133.04970	8.5
133.10127	31.0
135.11694	22.0
137.05939	2.7
137.09567	4.3
137.13249	11.4
145.05023	4.6
147.11670	2.4
149.13251	5.0
163.06082	2.8
165.05534	3.7
175.14835	66.3
177.05507	5.7
178.05797	5.9
193.15900	47.6
211.16940	47.0
225.10338	3.5
229.17996	94.0
241.09659	2.3
267.11279	3.6
283.10736	3.7
302.24533	2.0
313.11905	5.3
330.10825	2.8
409.13928	4.1
445.15894	3.7
455.14151	3.8
473.15485	9.1
491.16428	6.4
505.18405	12.9
523.19635	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01866	3.9
55.05518	2.7
56.05023	3.7
57.03421	8.8
57.07063	4.6
67.05505	3.9
69.03413	7.2
69.07053	8.7
69.82272	12.1
71.04996	5.0
73.02907	8.5
75.04520	2.6
79.05499	3.7
80.20053	1.9
81.03426	2.9
81.07069	20.5
83.04984	2.1
83.08623	2.6
85.02407	2.9
85.02906	20.3
85.06573	2.3
87.86166	1.9
91.05480	2.7
93.07037	8.6
95.08620	15.8
96.21970	2.4
97.02884	12.5
97.06524	3.6
98.21555	2.0
99.04409	2.6
99.08093	3.4
103.03992	2.9
103.05457	2.4
105.07010	7.9
107.08604	14.5
109.10151	12.1
115.03913	4.6
115.07565	5.4
119.08588	30.3
121.09336	2.8
121.10152	42.8
123.04465	3.7
123.08054	3.9
123.10819	4.6
123.11710	86.8
127.03899	6.8
133.04977	6.8
133.10133	26.7
135.11687	22.1
137.09587	6.5
137.13271	13.3
145.04916	5.0
147.04466	2.7
147.11664	3.5
149.13228	4.8
163.06053	2.9
165.16310	2.7
175.14824	58.2
177.05493	7.8
178.05759	6.1
193.15878	50.6
209.69678	1.9
211.16946	43.4
213.31956	2.4
220.09766	2.7
221.10017	2.4
225.10202	3.5
226.07242	2.2
229.17996	100.0
255.11227	5.0
259.08383	2.2
267.11328	2.9
268.11874	3.5
287.23105	2.5
313.11841	7.0
314.12405	2.3
355.12576	2.3
373.13934	4.7
399.15469	3.4
402.36664	2.6
409.13858	2.9
429.12878	2.3
444.27988	2.5
445.16129	3.8
455.14447	3.4
463.17822	2.4
473.15521	11.2
491.16327	6.9
505.18112	13.6
517.33551	2.6
523.19647	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	523.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01876	1.1
55.05513	10.3
56.05039	0.6
57.03441	6.0
57.07085	1.6
59.05003	2.5
61.02934	0.8
65.03925	0.9
67.05508	6.8
67.05836	0.6
69.03435	17.8
69.07073	8.0
69.07413	0.6
70.06597	4.9
71.04999	2.9
71.53361	0.4
71.62573	0.4
72.16040	0.4
73.02930	1.3
76.36764	0.4
79.05484	3.9
79.05824	0.4
81.03438	1.8
81.07059	10.5
83.04987	14.6
83.08620	9.9
85.02909	12.3
85.06545	7.1
85.07017	0.6
86.09714	0.8
87.04480	7.7
87.04975	0.7
89.06053	0.4
91.05492	2.8
93.07051	7.9
95.04961	3.2
95.08612	10.5
97.02898	10.1
97.03518	0.5
97.06557	1.7
97.10186	2.1
99.04474	1.5
99.08099	6.4
101.06021	2.3
103.03956	0.4
103.05437	0.5
105.07041	4.2
107.07878	0.7
107.08604	12.0
109.02893	1.4
109.06534	1.5
109.10166	28.2
111.04462	0.8
111.08083	2.4
111.11707	0.7
113.06030	0.9
113.09631	0.7
115.03935	8.7
115.07569	0.5
117.07038	0.7
119.08603	3.3
120.08144	1.3
121.06525	0.5
121.10150	5.9
122.03645	0.8
123.04464	0.6
123.08096	1.8
123.10821	0.8
123.11716	13.5
125.06020	0.7
125.09626	6.1
127.03915	2.2
127.08684	1.1
127.11195	11.5
129.07047	0.5
131.04935	1.0
131.08588	0.9
133.04967	7.8
133.10138	5.6
135.08087	1.1
135.11705	9.6
137.05980	5.7
137.09615	2.0
137.13248	1.2
139.03940	0.8
139.11183	0.8
141.12788	0.8
143.10724	0.7
145.04984	2.0
145.10152	1.3
147.04414	0.5
147.11699	1.5
149.05968	0.5
149.09644	1.2
149.13272	5.3
151.03922	1.7
151.07565	1.1
151.11197	4.4
151.14841	1.0
153.01840	1.0
153.05530	1.0
153.09117	0.5
153.12794	1.5
155.08336	0.6
155.10692	0.5
159.08130	0.4
159.11679	1.4
161.06017	1.1
161.09694	0.5
161.13297	0.8
163.06017	0.5
163.07573	0.9
163.11188	0.6
163.14882	0.8
165.09122	2.0
165.12741	0.8
167.07042	1.2
167.10712	0.4
167.14330	13.5
169.12254	19.4
173.13303	1.0
175.07460	0.8
175.11311	0.6
175.14845	4.7
176.15149	0.6
177.05447	0.7
177.09091	0.9
177.12762	0.4
177.16365	0.7
179.07111	0.5
179.10611	0.4
181.08644	0.8
185.15388	8.8
189.09105	0.6
193.15900	7.0
194.16209	1.1
207.10165	0.4
209.15405	1.4
211.16948	52.0
212.17195	0.5
221.12915	0.6
223.07657	0.4
229.17998	100.0
230.18372	0.9
237.11124	0.4
253.17923	1.5
271.24295	0.6
277.24936	0.7
286.17398	0.5
289.25232	1.5
307.26407	2.1
317.13785	0.7
325.27271	1.2
343.15543	1.8
352.63708	0.4
361.16235	0.7
523.21124	1.8
529.40717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2755
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
53.03926	1.0
55.01860	0.9
55.05508	9.3
56.13586	0.7
57.03432	4.3
57.07070	1.4
59.04993	3.1
61.02924	1.0
62.83818	0.7
67.05515	6.3
69.03088	1.2
69.03434	18.5
69.07072	6.1
69.99566	3.5
70.06580	2.8
71.04991	3.1
73.02895	0.7
73.70000	0.7
79.05491	2.1
81.03390	1.6
81.07066	9.5
83.04984	13.1
83.08615	8.5
85.02904	11.6
85.06538	6.0
87.04472	7.3
91.05494	1.4
93.07050	5.5
95.04958	1.9
95.08614	6.1
97.02901	9.9
97.10184	2.2
99.04469	1.0
99.08069	4.1
101.06026	2.0
105.07018	3.3
107.08600	9.9
109.06507	1.1
109.10157	25.0
111.08067	2.1
113.06010	1.2
115.03935	8.5
119.08595	3.4
120.08131	1.2
121.06441	0.9
121.10136	5.2
123.08099	1.3
123.11715	12.0
125.09624	5.0
127.03912	0.9
127.11188	11.4
131.08565	0.8
133.04976	9.2
133.10127	4.8
135.11684	7.8
137.05949	3.5
137.09625	1.8
145.04971	1.5
147.11681	1.9
149.13246	4.2
151.03889	1.2
151.11203	4.0
153.01752	0.9
153.12727	2.0
167.07034	1.6
167.14328	10.4
169.12260	16.3
173.13214	1.0
175.14861	3.8
185.15376	9.4
193.15906	6.8
211.16945	48.1
229.17999	100.0
230.18065	0.9
253.17931	0.9
289.25311	2.0
307.26300	3.2
325.27393	0.9
343.15338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01867	3.7
55.05505	19.9
57.03436	3.7
57.07075	7.0
59.04999	3.8
65.03925	2.5
67.05501	23.7
68.67350	1.7
69.03429	9.5
69.07069	48.6
69.36169	7.6
69.36581	3.9
70.95833	1.3
71.04982	11.0
79.05495	16.5
80.42939	1.5
81.03413	4.4
81.07056	100.0
83.04975	11.6
83.08617	16.6
85.02905	11.9
85.06555	7.6
85.10178	1.5
87.04498	2.9
91.05482	13.7
93.06475	2.8
93.07047	47.7
93.07626	2.5
95.04974	16.5
95.08604	59.0
97.02892	6.5
97.06528	12.7
97.10180	6.3
99.04446	5.3
99.08093	6.1
103.05493	1.8
105.07029	27.4
107.04948	2.3
107.08595	36.4
109.02861	3.9
109.06523	9.9
109.10154	38.5
111.08084	11.5
111.11711	8.2
113.09677	2.2
115.03947	2.3
115.07570	2.4
117.07034	4.8
119.08585	16.2
121.02910	2.0
121.06471	4.3
121.10143	30.7
123.04446	6.5
123.08064	6.1
123.11707	31.3
125.05995	2.1
125.09629	4.7
125.13279	2.0
127.03904	4.2
127.07558	3.5
127.11190	5.6
129.06995	3.1
131.08594	6.7
133.10130	18.2
135.08035	3.9
135.11694	24.1
137.05940	9.8
137.09608	7.5
137.13260	19.3
139.03896	9.0
139.07539	3.4
139.11186	6.5
140.11293	1.6
143.08575	4.4
145.10146	10.0
147.04427	3.1
147.08101	1.9
147.11694	11.0
149.05994	3.1
149.09674	2.9
149.13246	12.7
151.03929	7.4
151.07619	1.7
151.11185	5.1
151.14824	3.4
153.05453	4.7
153.12758	13.0
155.10628	2.7
155.14296	1.8
158.06242	1.5
159.08057	2.0
159.11678	9.7
161.05980	6.2
161.09613	9.5
161.13177	7.7
163.03926	3.2
163.07632	3.7
163.11182	6.8
163.14796	4.7
165.05388	2.4
165.09106	6.0
165.12732	4.7
167.07027	3.2
167.14302	3.2
171.08025	2.0
171.11720	3.2
171.13783	1.9
173.13261	5.5
173.15395	2.4
175.07590	2.3
175.14841	4.5
176.15205	2.3
177.05478	2.2
177.09038	2.5
177.12752	2.8
177.16331	3.9
179.10709	6.2
181.12222	5.2
189.09074	3.9
189.12932	1.9
191.07010	2.2
193.08655	3.3
193.15874	3.7
195.17480	3.3
199.07509	2.9
201.09087	5.9
207.10152	2.7
209.08121	2.6
209.18837	2.0
211.16942	4.2
212.17303	4.1
213.18472	3.5
217.08653	3.2
219.10150	7.7
219.20886	1.8
221.15245	1.7
231.21078	2.7
236.39236	1.6
245.08049	1.9
271.24335	3.7
275.16400	6.6
277.25238	3.0
289.25287	12.6
295.26334	14.0
307.26300	23.4
325.27359	10.8
343.28458	2.9
357.13461	2.2
361.29532	1.7
381.13345	1.9
399.14331	4.5
476.16000	2.0
487.34485	2.4
523.21210	3.5
523.28467	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
55.05510	16.0
57.03427	4.0
57.07077	9.5
58.89856	2.4
59.04974	3.5
62.31165	2.4
63.09701	2.0
67.05509	28.0
69.03416	10.2
69.07070	40.7
69.34613	19.5
70.20549	2.4
71.04992	6.7
71.08634	3.3
73.02906	2.4
79.05505	21.9
81.03414	2.8
81.07059	100.0
83.04979	8.2
83.08624	12.2
85.02908	11.9
85.06544	29.7
91.05485	13.5
91.05997	2.4
91.70069	2.5
93.07051	43.9
95.04964	8.9
95.08617	72.2
97.02908	4.4
97.06525	9.5
97.10176	9.9
98.21507	4.6
99.08105	13.0
103.55330	2.3
105.07034	29.3
107.08603	34.7
109.06508	6.7
109.10169	52.1
111.08082	6.9
111.11716	6.4
113.09616	2.5
119.08598	19.0
121.10141	33.4
123.08047	2.5
123.11712	32.2
125.09645	7.1
125.13241	2.5
125.24255	2.3
127.03922	2.4
127.07525	3.5
127.11160	4.8
131.08551	5.0
133.10126	24.3
134.10442	3.1
135.11691	27.0
137.05980	5.2
137.09628	6.9
137.13277	18.2
139.11136	5.4
140.85567	2.8
145.10141	9.0
147.11664	18.2
149.13254	20.0
151.11197	6.3
151.14818	4.1
153.12724	6.8
155.10701	3.3
159.11708	8.1
161.13231	11.1
163.11212	3.6
163.14804	8.9
164.00307	2.5
165.09149	6.0
165.12727	8.3
167.14307	4.2
169.12234	4.0
173.13283	5.7
175.14854	6.7
177.16405	12.8
179.03366	9.9
179.17921	2.2
181.12196	3.7
189.16396	7.1
191.17958	4.8
193.15898	4.3
194.16226	4.0
195.17467	8.0
201.16495	2.7
203.18019	3.6
205.19478	3.7
211.16942	9.4
212.17239	8.3
215.17912	5.4
217.19591	2.4
229.18004	10.2
245.22708	4.3
259.24271	2.3
271.24170	12.3
277.25171	5.5
289.25262	23.1
295.26303	7.3
307.26331	40.9
313.67065	2.4
325.27374	18.7
343.28610	11.6
462.94791	3.3
523.18127	5.0
523.32111	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05507	18.7
57.03428	5.3
57.07068	7.9
65.03952	1.9
67.05177	2.0
67.05506	23.5
69.03426	9.5
69.07069	46.1
71.04980	6.2
71.08624	2.6
73.02906	7.5
79.05495	19.4
81.03404	3.2
81.07056	100.0
83.04994	7.0
83.08620	13.7
85.02911	12.3
85.06544	28.3
87.04470	1.8
91.05484	11.2
93.07047	38.0
95.04457	1.5
95.04967	8.3
95.08606	63.4
97.02917	4.0
97.06531	7.3
97.10161	6.8
99.04408	1.8
99.08099	25.0
105.02121	1.4
105.07034	26.8
107.08596	32.5
109.06510	6.4
109.10159	42.9
111.08073	5.5
111.11708	8.9
113.09628	2.7
115.03937	3.1
117.07003	2.2
117.89691	1.6
119.04938	2.9
119.08569	16.9
121.10148	29.7
123.11700	36.6
125.09618	9.6
127.03887	1.6
127.11201	4.2
131.08537	3.2
133.05026	2.4
133.10135	13.0
135.11708	17.7
137.05930	3.4
137.09596	4.4
137.13257	11.4
139.11200	15.0
145.10123	5.6
147.04411	7.3
147.11688	19.6
148.04807	1.9
149.09653	3.3
149.13254	15.0
151.11188	5.7
151.14824	3.3
153.01924	1.7
153.12755	8.2
155.14281	2.0
159.11725	5.1
161.13326	6.7
163.11148	1.9
163.14810	10.1
165.09154	3.9
165.12769	13.7
167.14337	3.2
169.12218	5.4
171.13760	3.8
173.13297	3.1
175.14934	7.3
177.16437	3.7
181.12253	1.8
183.13762	4.4
185.15306	2.3
187.14879	1.8
189.16383	4.0
191.17865	2.1
193.15913	1.8
201.14795	1.9
201.16432	1.9
211.16873	11.9
212.17470	1.5
215.17952	1.5
229.17943	15.2
229.92169	1.4
230.19041	1.9
231.21066	1.6
233.18987	2.2
250.05145	1.5
271.21661	1.5
271.24188	6.4
277.25204	7.3
289.25287	27.5
295.26276	13.0
307.26300	55.4
313.27338	2.2
325.27328	13.9
343.28421	7.6
361.29431	3.3
371.10263	1.9
384.59250	1.5
401.14410	2.1
523.17212	7.9
523.32593	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	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	19.3
57.07078	10.7
67.05513	25.7
68.22910	2.1
69.03425	4.0
69.07076	75.4
69.88112	12.9
71.05006	8.0
79.05494	10.0
79.06224	2.3
80.46347	2.2
81.07066	100.0
83.04971	5.7
83.08620	20.4
85.02926	8.0
85.06557	10.2
91.05495	9.8
93.07052	42.9
95.04988	11.2
95.08619	69.6
97.06554	7.1
97.10184	11.2
98.21490	3.6
99.08106	9.1
105.07058	15.4
107.08608	32.2
108.10111	2.5
109.06512	5.2
109.10168	43.8
111.08102	10.3
111.11755	13.9
113.05996	2.6
113.09615	3.2
119.08599	12.9
121.10149	28.3
123.11725	36.8
127.03992	2.9
127.11200	6.4
131.08632	4.0
133.10170	7.6
135.08099	2.6
135.11714	25.2
137.09697	3.2
137.13274	15.1
138.69539	2.3
139.10236	2.4
139.11197	16.0
141.12868	2.9
145.10199	5.0
147.11722	11.8
149.13272	15.6
151.11147	3.7
151.14781	5.7
153.12762	8.9
159.11705	10.1
161.13292	7.6
163.11234	2.6
163.14828	7.1
165.12733	6.7
167.14334	3.8
173.13277	4.3
173.15257	3.1
175.14827	4.9
177.12793	4.1
177.16409	6.1
209.19051	3.6
211.16925	3.1
215.18108	3.4
271.24225	5.2
277.25296	7.4
289.25180	20.0
295.26300	26.8
307.26306	53.9
325.27353	22.0
407.21893	2.9
523.17743	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01866	2.1
55.05264	1.9
55.05513	18.5
57.03442	18.5
57.07078	55.4
58.62612	1.6
59.63168	1.5
67.05508	32.6
69.03395	2.0
69.07076	15.2
71.04980	3.5
71.08638	37.7
71.18783	2.6
79.05494	17.8
81.03421	100.0
81.07059	32.6
83.04986	6.0
83.08623	34.1
85.02898	12.0
85.06526	2.6
85.10181	21.6
89.06053	2.6
91.05489	21.8
93.07043	14.0
95.04973	32.2
95.08612	37.6
97.02896	1.9
97.06531	1.9
97.10183	7.5
98.43268	1.5
105.07037	15.2
107.04910	8.0
107.08604	5.9
109.06550	4.4
109.10165	16.6
111.04443	4.0
111.08067	9.2
117.07079	1.9
119.08583	16.5
121.10158	5.6
123.08044	2.8
123.11732	7.5
129.07022	11.5
131.08578	9.5
133.06509	3.5
133.10176	7.7
137.13287	1.9
142.07881	2.8
147.08113	4.5
147.11674	10.5
149.09637	3.6
157.10132	10.8
165.12814	2.6
175.11208	11.7
192.43150	1.5
193.12253	53.7
194.50832	1.8
208.31482	1.6
211.13301	31.7
239.23752	8.1
249.15018	4.8
267.15927	87.2
313.27356	82.5
326.34167	1.9
505.38907	56.5
523.39984	75.1
524.00018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01868	1.1
55.05519	10.6
57.03448	4.0
57.07079	28.8
57.13400	0.8
65.03914	0.8
66.66137	0.7
67.05505	20.0
69.03421	2.3
69.07070	8.2
69.23460	7.0
71.04993	2.1
71.08637	19.7
79.05495	9.6
81.03421	30.6
81.07059	23.1
83.04990	4.2
83.08624	18.1
85.02909	14.0
85.06522	1.2
85.10181	12.1
91.05481	14.9
93.07047	8.5
95.04971	12.5
95.08612	21.4
97.02884	1.7
97.06525	1.4
97.10187	5.9
105.07030	11.2
107.04956	2.4
107.08605	3.4
109.06542	1.5
109.10168	9.1
111.04476	0.8
111.08092	4.6
111.11719	1.0
113.06013	1.0
119.08581	8.9
121.06535	1.1
121.10149	5.2
123.11729	4.4
129.07005	5.9
131.08574	4.6
133.06512	1.0
133.10118	3.8
135.11716	1.0
142.07826	1.1
147.08041	1.5
147.11688	6.2
149.09644	2.4
157.10132	6.0
165.12766	1.9
175.11198	7.1
193.12245	24.8
211.13289	30.0
211.68375	0.9
239.23738	4.3
253.00354	0.8
267.15912	9.6
285.16687	0.9
313.27350	6.8
436.69788	0.9
505.38870	3.4
523.39941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.05511	11.2
57.03449	15.2
57.07078	41.8
64.11631	2.0
64.41689	2.0
67.05515	25.3
69.03410	2.5
69.07082	10.7
69.51648	6.5
69.52084	7.6
71.04975	3.7
71.08640	32.2
72.33868	2.0
76.50912	2.2
79.05505	15.2
79.42168	2.0
81.03423	83.6
81.07050	28.2
83.04957	5.9
83.08626	30.0
85.02934	2.7
85.10208	13.1
89.06016	2.7
91.05492	18.4
93.07045	10.3
95.04962	22.6
95.08614	26.2
97.02879	2.9
97.10149	5.7
98.20766	4.9
105.07028	9.7
107.04967	6.3
107.08583	3.3
107.88169	2.1
109.06508	4.1
109.10152	8.5
111.08072	8.1
119.08590	11.9
121.06495	4.8
121.10128	7.8
123.08056	2.8
123.11721	5.2
129.07043	11.2
131.08588	5.8
133.06543	4.3
133.10124	5.7
137.13240	2.7
147.07938	2.2
147.11639	5.2
149.09645	3.6
157.10124	8.9
175.11183	9.9
193.12254	36.9
211.13280	9.7
239.23648	8.2
249.15039	2.5
267.15945	100.0
313.27374	93.0
313.30093	1.8
505.38870	59.1
523.24506	2.9
523.40015	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01864	1.2
55.05273	0.9
55.05522	11.8
57.03440	5.2
57.07082	32.1
60.99467	0.8
65.03959	1.1
67.05511	22.9
69.03437	1.5
69.07084	7.2
69.31126	2.0
69.31525	6.6
71.04990	2.7
71.08640	21.1
75.70441	0.9
79.05502	11.8
81.03429	32.3
81.07065	25.6
83.05007	5.5
83.08624	19.3
85.02912	17.1
85.10197	9.6
91.04984	1.0
91.05492	14.2
93.07053	7.9
94.38880	0.8
95.04975	14.9
95.08617	21.0
97.06562	1.2
97.10167	5.5
99.76184	0.9
105.07043	8.9
107.04948	3.3
107.08578	3.5
109.06502	2.7
109.10155	9.0
111.04477	1.0
111.08092	4.9
113.05983	1.4
119.08582	9.1
121.06491	0.9
121.10136	4.1
123.11712	4.8
129.07033	5.2
131.08575	4.6
133.06537	2.4
133.10165	4.6
137.13264	1.4
147.08086	1.3
147.11696	7.2
149.09627	2.4
157.10167	7.3
175.11203	7.9
193.12267	27.2
198.46027	0.9
211.13313	33.3
239.23695	5.4
249.14908	1.6
267.15958	5.6
313.27362	6.2
389.82794	1.0
405.96771	0.9
505.38916	4.5
523.40009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01863	0.9
55.05265	0.7
55.05508	9.5
57.03438	4.7
57.07075	27.4
65.03929	0.9
67.05505	20.8
69.03411	1.7
69.07069	7.8
69.47303	3.3
71.04996	3.2
71.08632	19.3
78.08954	0.5
78.95257	0.4
79.05072	0.7
79.05494	10.8
81.03418	26.2
81.07054	24.2
81.61452	0.4
81.86588	0.5
83.04987	4.7
83.08620	17.6
84.35383	0.4
85.02902	14.1
85.06533	0.8
85.09714	0.8
85.10186	9.8
91.05486	14.7
93.07040	8.2
95.04971	10.9
95.08606	19.9
97.02880	0.6
97.06529	2.5
97.10171	5.2
98.20798	1.1
99.08140	0.7
99.11671	0.6
105.07031	9.1
107.04972	2.9
107.08585	3.5
109.06524	1.5
109.10159	9.2
111.04440	1.9
111.08083	4.3
111.11739	0.6
113.06025	1.5
115.05462	0.9
117.07011	0.6
119.04937	0.8
119.08578	8.4
121.06512	0.7
121.10141	4.8
123.08085	0.9
123.11746	3.7
124.25881	0.5
125.09615	0.6
125.13287	0.7
129.06996	4.9
131.08580	4.4
133.06468	1.5
133.10158	4.0
135.11658	0.6
137.09613	1.0
137.13246	1.0
142.07782	1.1
147.08051	1.7
147.11681	7.5
149.09665	2.6
151.14777	0.6
157.10136	5.4
163.11174	0.7
165.12735	1.2
175.11194	6.6
193.12239	25.7
209.57037	0.6
211.13295	31.5
239.23680	5.3
247.25511	0.5
249.14986	0.9
267.15912	8.0
313.27390	6.7
505.39127	3.8
523.39966	100.0
524.40057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15199	0.7
52.65421	0.7
53.03942	1.9
55.01873	1.2
55.05265	0.9
55.05510	12.1
57.03435	4.6
57.07080	31.3
63.12658	0.8
65.03933	1.4
67.05508	22.0
69.03428	2.1
69.07075	9.6
69.34467	2.5
69.34891	3.3
70.90061	0.6
71.04991	2.6
71.08231	1.1
71.08630	22.1
79.05490	10.9
79.78603	0.8
81.03421	32.2
81.06579	1.6
81.07060	27.3
83.04987	6.5
83.08142	1.2
83.08622	18.5
85.02433	1.0
85.02911	13.6
85.06545	1.4
85.10188	13.8
89.06024	0.7
91.04963	1.3
91.05483	14.9
93.07042	9.9
95.04970	12.9
95.08609	25.3
97.02902	2.0
97.06537	1.6
97.10175	6.4
99.08147	0.7
99.11764	0.7
102.68652	0.7
105.07031	11.8
105.07685	1.0
107.04945	3.0
107.08602	4.5
109.06533	2.9
109.10162	11.0
111.04437	1.4
111.08086	5.0
111.11713	0.8
113.06027	1.7
115.05421	1.0
119.08581	10.0
121.10134	5.4
123.08056	1.7
123.11723	3.6
129.07014	5.0
130.59052	0.8
131.08585	5.9
133.06516	1.1
133.10130	5.5
137.09612	1.3
137.13235	1.1
142.07791	1.5
147.08061	1.0
147.11682	8.0
149.09657	4.0
157.10161	7.1
163.11189	1.2
165.12756	1.4
175.11180	7.6
193.12250	29.6
211.13292	31.5
211.15283	1.6
221.22792	0.9
239.23734	5.5
267.15942	10.4
281.26599	0.9
313.27405	10.5
416.90588	0.8
505.38916	6.4
522.05585	0.7
523.40015	100.0
524.40137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05510	4.1
55.37117	1.0
57.03419	3.0
61.02903	1.6
67.05489	1.6
69.03427	6.2
69.07069	5.7
69.29343	4.2
69.29768	5.0
71.04981	2.2
73.02914	4.7
79.05479	3.1
81.03391	1.2
81.07063	6.9
83.08624	4.2
85.02908	13.0
85.06540	2.2
91.05489	1.6
93.07045	7.2
95.08615	17.3
97.02913	7.1
97.10165	3.4
98.21540	2.1
98.97562	1.3
99.08097	11.3
105.07009	2.6
107.08590	20.5
109.02854	1.9
109.10175	5.2
111.08080	3.1
113.09647	1.4
115.03925	4.3
121.10148	33.1
123.11688	1.5
125.09612	3.0
127.03909	3.8
133.04994	6.0
135.11703	6.5
137.09738	1.3
137.13234	3.5
145.04945	3.7
149.13261	3.3
163.06085	1.3
177.16393	100.0
184.80032	1.1
191.14319	1.8
195.17462	21.2
213.18497	53.8
271.10242	1.6
348.35129	1.2
375.23825	1.3
430.85782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05505	9.1
57.03434	10.6
57.07082	4.5
59.05002	3.6
67.05505	9.9
69.03440	48.6
69.03798	2.7
69.07082	25.8
69.86288	11.5
69.86675	6.3
70.07404	3.1
79.05502	7.5
81.07058	25.3
82.07418	3.8
83.08614	8.4
85.02916	29.3
85.06534	11.4
87.04480	34.4
91.05485	3.8
91.17265	2.9
93.07060	17.7
95.08614	46.2
96.08982	7.3
97.02895	37.3
97.10182	4.5
99.08108	30.7
105.07029	6.9
107.08607	24.6
109.10169	24.0
110.10528	3.7
111.08090	13.5
111.11739	6.4
112.62116	3.4
113.09664	5.6
115.03943	55.4
119.08610	7.4
121.10173	38.3
122.10475	3.4
123.11740	18.4
127.03935	5.4
131.04988	3.2
131.08655	3.8
133.04982	73.7
133.10162	8.5
135.11739	10.3
136.12057	3.6
137.13243	10.0
145.04990	5.0
147.11833	3.9
149.13211	3.6
163.14842	5.7
169.65292	3.0
175.14821	4.5
177.16412	100.0
179.17992	5.6
189.12865	3.9
194.16205	3.9
195.17476	55.9
212.17442	3.7
213.18523	21.1
230.18350	3.9
241.07060	4.4
259.08243	4.2
267.29807	3.1
273.57928	3.1
295.10217	9.7
296.26718	5.9
299.28470	3.5
308.26730	14.9
309.20621	10.7
326.27240	4.6
327.21774	7.4
357.22992	5.8
496.86279	3.6
548.39172	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	524.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52798	2.1
55.05519	3.4
57.03431	8.9
62.49015	2.3
65.18686	2.5
67.05514	4.3
69.03438	22.4
69.07080	8.9
69.61385	10.8
69.61799	5.8
70.04095	3.7
71.05005	6.8
73.02926	5.5
79.05463	5.4
81.07049	17.1
83.08644	5.4
85.02901	20.8
85.06516	4.6
87.04490	9.6
88.03953	2.9
91.05495	3.7
93.07041	9.1
95.04959	3.1
95.08613	24.4
96.08929	3.6
97.02894	16.3
98.97579	8.0
99.08090	12.0
105.07032	8.4
107.08603	32.3
109.02845	3.3
109.10149	10.8
111.08089	6.2
113.09656	3.0
115.03976	15.0
119.08598	9.0
120.08932	3.3
121.02843	3.0
121.06557	3.5
121.10143	39.5
122.44653	2.6
123.11717	7.2
125.09619	5.7
127.03918	3.2
133.04958	13.4
133.10115	11.9
134.10483	3.6
135.11728	11.5
137.05992	6.0
137.09647	4.1
145.05006	3.7
147.11700	3.2
149.13324	4.5
159.11609	2.7
165.09047	3.4
175.14804	7.8
176.15166	4.4
177.16411	100.0
191.14401	3.2
193.08673	4.9
193.15848	3.7
195.17485	26.0
206.08815	2.8
207.09734	2.7
208.09644	2.9
211.09689	8.0
211.16995	10.6
212.17274	7.7
213.18532	55.7
219.10187	3.0
220.49844	2.4
241.13858	3.8
250.64725	2.5
271.10184	9.7
272.10907	5.8
277.25739	2.4
312.05264	3.0
341.42795	2.6
403.17715	2.6
524.21997	3.0
525.23108	13.6
538.79114	2.9
541.20081	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	525.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33419	1.5
59.57404	1.3
71.52535	2.1
81.14196	1.5
87.06593	1.5
88.42439	1.5
94.65270	1.6
98.97599	47.3
111.17377	1.7
116.98643	23.5
122.83942	1.6
134.99689	5.7
175.08009	1.6
210.18541	1.8
216.99112	1.9
217.12585	1.5
217.63509	1.5
235.00159	7.6
240.98785	8.1
243.02094	2.1
258.99893	63.3
261.03220	5.5
264.99182	1.7
274.97861	4.1
275.98120	2.1
277.00925	48.1
283.00031	35.1
284.00128	2.5
287.05066	1.7
298.97971	4.7
300.97946	3.3
301.01080	27.0
303.00870	1.6
316.99017	6.9
317.99158	1.7
322.97714	2.2
345.97763	1.9
346.34735	1.6
359.00275	18.4
364.99542	4.9
376.47427	2.0
383.00049	32.0
401.01132	100.0
402.01447	4.0
403.01697	2.2
419.02148	5.7
424.02878	3.3
425.01144	3.0
437.15524	1.7
440.99289	2.1
441.98788	1.7
443.02313	3.8
460.00278	1.7
483.00400	2.3
507.00543	9.8
525.01379	88.0
526.01239	3.7
542.98755	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
55.01871	2.1
55.05508	1.9
57.03427	5.4
61.02934	18.3
67.05493	3.4
69.03432	38.5
69.62797	2.3
69.63208	5.6
71.01363	7.3
71.05006	7.7
73.02919	9.4
74.60139	1.2
79.05480	3.9
81.03423	100.0
81.07041	2.3
83.01348	2.0
83.04977	2.9
85.02908	57.2
91.03955	11.4
91.05482	1.8
93.07066	1.6
95.01335	12.0
95.04974	2.6
95.08593	1.3
97.02896	63.9
99.04468	17.5
100.95907	1.3
101.02399	1.8
103.03952	3.7
107.04958	2.6
107.08533	1.6
109.02881	38.1
111.04433	6.4
113.02380	8.9
115.03922	2.1
116.78603	1.2
123.04411	2.2
125.02340	2.1
127.03922	55.7
131.03398	1.6
135.04388	1.7
137.02324	4.2
139.03867	2.2
141.01825	34.6
141.05470	1.8
145.04977	15.7
147.11700	1.9
151.03883	2.0
157.10095	1.4
159.02928	6.6
163.05965	6.0
169.01367	1.6
169.04959	2.2
173.04500	15.4
181.04936	8.3
187.02408	1.2
187.06023	27.9
191.05559	2.4
193.04959	4.2
205.03432	2.9
205.07069	4.5
211.06004	3.4
211.13290	1.4
215.05531	4.6
223.13414	1.8
229.06995	1.9
237.03735	1.4
245.06633	1.4
271.08069	1.6
349.11185	1.9
363.09097	8.5
507.28033	1.5
525.14172	3.9
525.30249	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	525.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82915	0.7
53.03926	1.8
55.05519	6.6
57.03423	1.5
57.07064	2.8
59.05002	1.6
60.73530	0.7
61.02918	0.7
63.17027	0.7
65.03926	1.0
67.05503	13.7
69.03436	8.7
69.07069	12.9
69.43386	4.1
69.43807	1.8
69.44665	0.8
71.04979	2.4
71.08684	0.7
79.01843	2.9
79.05485	4.7
81.03423	7.4
81.07061	26.6
83.04985	5.5
83.08627	5.4
85.02914	6.3
85.06548	10.4
87.04481	1.2
91.05494	3.7
93.07041	10.7
94.06017	0.7
95.04976	3.0
95.08611	24.9
97.02902	7.3
97.06525	2.2
97.10169	2.8
98.20847	1.6
98.97569	0.7
99.04453	1.5
99.08092	3.0
101.03072	0.7
105.07029	7.3
107.01340	1.6
107.04950	0.9
107.08594	17.9
109.02884	7.4
109.06501	4.9
109.10160	51.2
110.10467	1.5
111.08081	3.8
111.11736	1.2
112.38950	0.6
113.09649	0.7
115.03967	1.1
119.04992	0.9
119.08586	21.3
121.10153	11.7
123.04423	1.6
123.08060	6.4
123.11708	8.1
125.02350	2.6
125.09634	3.2
127.03934	9.1
127.11196	2.1
131.08565	1.7
133.10136	12.3
135.08083	1.5
135.11697	50.7
137.05998	2.7
137.09633	7.9
137.13226	3.7
139.03893	5.6
139.11151	2.0
143.03372	4.0
143.08575	0.9
145.04984	1.9
145.10146	2.1
147.04419	1.4
147.11723	2.1
149.05959	0.9
149.13269	8.8
151.03925	4.6
151.11169	5.0
151.14819	5.5
153.01837	100.0
153.02867	4.4
153.12764	2.7
155.14265	1.1
159.11722	1.3
161.06038	1.4
161.09654	1.0
163.14844	1.9
165.09151	1.7
165.12741	0.9
165.16415	1.6
167.03381	6.1
167.07050	4.1
167.14314	2.5
168.14737	0.9
169.12215	0.9
171.02901	12.0
173.13268	0.9
175.14828	19.1
177.16418	2.1
189.09081	1.1
193.15887	35.3
209.15349	0.9
211.09634	1.0
211.16931	33.4
212.17268	1.6
219.10202	0.8
229.18022	2.5
230.18404	2.4
231.18387	1.5
279.26697	1.5
284.59702	0.9
290.60852	0.8
291.26859	3.7
297.05994	6.3
297.27896	2.1
309.27838	6.5
315.07108	9.8
327.29019	2.1
345.30057	1.9
346.41727	0.9
439.84943	0.8
465.05685	1.0
510.24585	0.8
525.22803	8.4
525.33777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
54.48771	0.9
55.01873	4.7
55.05513	12.3
57.03436	2.6
57.07069	2.4
59.04992	3.1
61.02917	1.2
65.03931	1.6
67.05508	18.2
69.03432	9.9
69.06773	1.0
69.07076	9.0
71.05011	7.2
71.25018	0.8
71.54794	1.3
71.57623	0.9
76.46442	0.9
79.05499	17.4
81.02985	1.2
81.03423	13.7
81.07057	27.2
83.04995	12.2
83.08634	7.0
85.02913	9.4
85.06546	6.4
87.00826	2.9
91.05484	13.7
93.07047	27.4
93.07633	1.9
95.04980	7.1
95.08613	16.8
97.02876	4.4
97.06522	4.6
97.10152	3.8
99.04432	1.8
99.08102	1.3
105.01866	2.0
105.07037	20.6
105.59045	1.0
107.04967	5.1
107.08594	18.4
109.02863	2.7
109.06532	5.6
109.10163	17.8
111.04435	1.4
111.08066	4.1
113.09641	4.9
117.07030	2.0
119.08587	27.8
121.06509	3.7
121.10148	31.3
122.07285	1.4
123.08068	3.5
123.11723	7.3
125.09644	6.2
127.03924	5.2
129.06990	2.6
131.08569	6.3
133.06512	1.9
133.10139	41.3
135.08063	3.3
135.11691	9.7
137.05901	0.9
137.09618	25.4
139.11185	5.7
143.08557	2.8
145.10117	6.1
147.08029	4.0
147.11711	10.3
149.09630	9.5
149.13234	3.1
151.11182	11.3
153.12700	1.7
157.10139	3.6
159.11668	4.5
161.09615	6.9
161.13251	4.5
163.11180	4.2
165.12740	1.9
167.10510	0.9
171.11671	2.4
173.09564	1.1
173.13284	2.9
174.10440	0.9
175.11150	5.5
175.14824	18.0
177.12764	1.4
185.13263	3.8
189.12738	2.1
191.10686	1.3
191.14291	2.0
193.12283	5.1
193.15848	2.9
199.14801	2.6
201.16408	5.2
203.14366	5.5
209.11652	1.3
211.13187	5.9
215.18105	1.1
217.15811	2.8
217.19556	1.4
225.15048	1.0
227.12697	2.7
229.12247	1.3
241.19463	2.8
249.14844	1.3
259.20587	27.7
267.15781	1.7
277.21637	100.0
283.15375	1.2
289.21698	2.0
367.22540	1.7
373.24054	1.1
383.22153	2.5
397.57730	0.9
401.23102	1.5
433.25385	1.5
445.25385	1.8
475.26868	1.8
489.24762	1.3
493.28021	1.4
507.29550	6.2
525.30865	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	2.3
55.05515	8.1
57.07078	1.2
59.05011	1.2
61.02912	1.3
64.96487	0.8
65.03933	1.0
65.87615	0.8
67.05508	11.7
69.03432	10.0
69.07067	6.3
71.04996	3.8
71.52538	0.9
71.52905	1.1
73.02913	1.9
79.05502	12.3
80.99799	0.8
81.03419	12.6
81.03864	1.1
81.07064	19.9
83.04987	10.1
83.08639	5.2
85.02898	8.7
85.06563	3.7
87.00832	3.4
90.31474	0.9
91.05476	9.4
93.07051	19.7
95.04997	4.4
95.08611	12.9
97.02905	6.5
97.06544	2.1
97.10189	1.8
99.04456	2.2
99.11768	0.9
103.64115	1.0
105.01879	1.9
105.07040	17.3
107.04951	3.4
107.08606	15.5
109.02885	4.2
109.06531	3.7
109.10164	16.1
111.04497	1.8
111.08088	4.0
113.09671	5.3
117.06992	1.8
117.47997	0.9
119.08585	21.4
121.06518	3.9
121.10155	23.4
122.07294	2.4
123.08105	2.9
123.11732	6.9
125.06082	0.8
125.09629	5.3
127.03928	6.0
129.06990	1.8
131.08589	3.0
133.06534	1.1
133.10139	40.2
135.08095	2.2
135.11707	7.4
137.09628	25.6
139.11201	3.8
141.01859	1.8
143.08603	1.5
145.04982	3.5
145.10110	4.7
147.08064	3.9
147.11691	7.1
149.09637	4.7
149.13258	3.1
151.11192	8.2
153.12788	1.8
157.10168	2.2
159.11751	3.7
161.09610	5.3
161.13255	5.3
163.11186	2.7
165.12798	2.1
167.99948	1.0
169.18268	0.8
170.10942	0.9
171.11708	2.5
173.13217	2.2
175.11203	3.2
175.14836	21.0
177.12781	1.1
179.10690	0.9
183.11583	0.9
185.13280	3.8
187.06049	1.6
187.14911	1.7
189.12747	2.3
191.14340	2.0
193.12242	3.0
193.15868	1.6
199.14690	1.2
201.09187	1.1
201.16411	4.3
203.14305	8.4
211.13298	4.2
217.15910	3.5
217.19453	2.3
219.17572	1.3
232.95280	0.9
241.19571	2.6
259.20572	28.7
277.21637	100.0
278.22000	1.3
289.21631	2.0
467.26639	1.1
475.27316	1.4
489.24948	1.8
493.27747	1.2
507.30051	1.6
525.30627	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	525.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01392	4.4
53.03946	14.2
55.01876	22.4
55.05519	47.5
57.03440	12.5
57.07073	12.9
59.04996	13.8
61.02921	5.6
65.03944	4.8
67.05508	100.0
67.74425	3.1
69.03434	16.7
69.07074	32.5
70.22739	4.1
70.23079	15.5
71.05005	33.2
73.69357	3.6
75.03469	3.5
79.05058	7.5
79.05502	92.6
79.26617	3.4
81.03433	55.9
81.07063	96.6
83.04578	4.6
83.04986	29.9
83.08621	24.7
85.02918	18.8
85.06545	17.8
87.04417	5.4
91.05495	76.1
93.07049	89.5
95.04980	36.9
95.08619	59.8
97.02906	19.0
97.06571	20.5
97.10170	18.3
99.08115	7.1
105.07040	59.9
107.04968	14.8
107.08599	54.7
109.02921	6.9
109.06532	15.1
109.10165	28.2
111.04465	8.7
111.08081	11.0
117.07020	17.2
119.08598	45.7
121.06500	12.4
121.10149	73.4
123.04420	7.4
123.08076	13.5
123.11737	5.6
125.09644	20.6
127.03938	5.1
129.07018	15.1
131.04935	5.1
131.08592	37.5
133.06523	5.1
133.10136	32.6
135.04396	6.9
135.08084	7.0
135.11719	33.7
137.05998	6.5
137.09557	3.7
139.07555	5.7
139.11209	6.5
141.07011	6.4
143.08615	6.6
145.06378	4.3
145.10115	24.9
147.08107	6.7
147.11690	29.2
149.09625	26.9
153.09177	4.5
153.12788	6.8
155.08548	6.5
157.10185	17.1
159.11740	11.6
161.09569	4.6
161.13255	5.6
161.88005	4.0
163.11166	29.1
165.12776	7.9
167.10728	4.7
169.10156	4.5
171.11780	9.4
173.09647	6.2
173.13206	4.6
175.11215	15.9
178.53304	4.0
181.12250	10.4
185.13286	7.3
189.11316	7.8
191.10652	7.5
193.12292	43.1
197.15308	4.1
199.13316	5.7
203.14413	4.7
209.11729	14.5
211.13284	47.1
217.12247	4.0
221.15228	4.2
223.13326	4.8
225.14885	9.4
227.12782	23.2
241.14377	5.7
249.14857	12.3
251.12688	3.7
259.15466	9.4
261.22095	3.8
267.15958	13.8
277.21683	15.7
283.15494	8.5
355.22772	5.5
365.94513	4.0
383.22113	11.0
401.23245	10.8
433.25870	6.7
447.27795	4.3
457.26062	6.1
465.19925	6.9
475.26855	15.2
493.19632	14.1
493.27933	17.6
507.29486	38.2
525.22998	9.2
525.30798	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.05518	20.0
56.80405	4.1
57.03416	7.7
57.07066	11.3
59.04996	4.8
67.05505	25.1
69.03417	11.3
69.07071	99.0
69.29599	32.5
69.30015	6.1
71.08616	3.8
79.05473	15.8
81.06596	5.6
81.07059	100.0
82.07334	3.7
83.04965	3.9
83.08624	27.2
85.02886	14.2
85.06542	19.4
87.04462	6.8
90.61176	3.8
91.05447	6.9
93.07050	44.2
95.08614	92.5
96.08939	7.2
97.02864	9.3
97.06517	9.8
97.10159	10.2
98.97586	4.4
99.08087	14.7
105.07013	8.0
105.35106	4.0
107.08604	38.8
109.06464	3.9
109.10153	35.6
111.08074	16.1
111.11700	26.8
113.09711	4.0
115.03901	11.3
119.08621	4.4
121.10143	29.1
123.11713	41.9
125.09618	4.0
127.03917	4.3
133.04961	12.8
133.10100	7.6
134.75198	4.1
135.11702	19.8
137.13258	34.9
139.11171	17.4
147.11687	7.1
149.13243	32.1
153.12721	20.3
155.14282	11.8
163.14821	10.2
167.14357	11.4
171.13786	15.7
173.15324	7.4
175.14835	4.6
175.66113	3.9
177.16368	14.3
178.16731	12.0
185.15234	4.8
195.17334	5.3
196.17902	9.3
255.25154	3.8
260.02359	4.0
273.25818	5.0
279.26740	7.0
291.26791	19.7
297.27899	17.7
309.27887	67.1
315.28937	9.3
327.28903	13.2
345.29910	15.3
525.23889	8.2
552.53760	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05512	17.4
57.07069	9.4
59.04992	4.4
61.02946	2.6
61.31991	2.3
67.05505	24.9
67.78338	2.4
69.03418	8.4
69.07072	71.5
69.27251	25.7
71.04977	5.2
73.06560	2.8
79.05475	10.1
81.03423	2.9
81.07064	100.0
81.40854	2.5
83.08630	26.4
85.02877	8.5
85.06546	16.4
91.05460	6.9
93.07058	30.9
93.79079	2.5
95.08613	72.5
97.06528	9.9
97.10120	5.2
99.08086	8.8
105.07023	6.6
107.08588	27.8
108.47916	2.7
109.10159	29.2
111.08095	13.9
111.11721	26.3
113.09626	2.9
117.88427	2.6
119.08592	5.8
121.10150	19.4
123.11714	35.7
125.13258	4.9
127.11195	9.3
135.11671	17.1
137.12334	3.1
137.13268	38.0
139.11163	16.1
147.11658	6.6
149.13269	27.8
151.14778	5.7
153.12772	19.0
155.14290	8.6
163.14798	7.8
165.12807	2.7
167.14294	10.1
171.13762	13.7
173.15408	6.6
177.16351	5.6
236.43456	3.3
279.26721	12.4
291.26816	24.1
297.27814	14.6
309.27899	59.8
315.28845	8.8
327.28796	10.3
345.29950	16.8
349.27332	3.4
371.82883	2.6
415.16696	2.4
439.62439	3.2
471.31439	2.7
473.32928	2.4
525.19299	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	525.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	16.3
57.03446	3.6
57.07075	7.5
59.05006	3.5
62.25754	2.8
67.05512	28.6
69.03427	5.3
69.07085	51.0
69.54515	8.4
69.54943	9.0
71.04993	4.4
71.08641	3.8
71.93546	2.4
76.90851	2.3
76.94927	2.2
79.05482	12.4
79.69700	2.1
81.03447	3.6
81.07069	100.0
83.08629	23.3
85.02910	9.3
85.06552	28.1
91.05492	6.8
93.07061	33.6
95.08620	78.8
97.02888	5.6
97.06541	8.5
97.10181	7.1
98.26515	2.4
99.08096	8.0
101.13470	2.3
105.07038	13.6
107.08607	32.2
109.02895	8.0
109.06547	5.4
109.10170	43.5
111.08100	11.3
111.11733	12.1
113.09649	3.0
115.03943	3.0
119.08609	7.5
121.10168	26.0
123.04469	2.3
123.11732	43.7
125.09675	4.5
127.03946	5.2
133.10155	4.0
135.11708	22.7
137.06006	6.6
137.09616	3.8
137.13277	26.0
139.11191	9.3
147.04411	3.7
147.11719	7.0
149.13284	23.3
151.03929	3.2
151.14844	4.1
153.12756	14.9
155.14404	5.5
161.13263	5.0
163.07484	3.3
163.14854	14.2
165.09146	3.6
165.12773	7.3
167.07010	3.1
167.14389	4.7
171.13876	9.1
175.14780	2.6
177.16432	11.4
178.16862	2.8
179.17995	3.5
191.17976	2.8
195.17519	5.3
196.17809	2.5
205.19536	3.6
213.18584	5.1
230.18343	2.5
261.25842	4.0
273.25818	8.6
279.26822	10.9
291.26877	40.1
297.27905	16.2
309.27954	44.8
312.06616	2.6
314.63782	2.6
327.28928	25.0
345.30130	6.2
499.89343	2.4
525.19519	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01867	2.3
55.05518	14.8
57.03436	3.0
57.07080	8.5
65.03940	1.9
67.05177	1.7
67.05511	22.4
69.03433	8.4
69.07071	34.2
70.06570	1.2
71.05000	2.5
71.08646	1.3
79.05495	11.6
81.03426	2.9
81.07060	100.0
83.04970	3.4
83.08152	1.4
83.08625	17.4
85.02900	11.5
85.06546	32.6
91.05461	5.8
91.84468	1.0
93.07049	36.4
93.07639	2.0
95.04986	3.9
95.08608	59.3
96.65884	1.3
97.02868	5.6
97.06543	5.3
97.10181	4.7
99.08094	25.5
105.07037	9.4
107.08603	40.3
109.02898	2.1
109.06503	1.5
109.10159	48.7
111.08086	7.8
111.11727	5.1
113.09646	2.9
117.07045	1.3
117.44476	1.1
119.08605	7.5
121.02882	1.3
121.10149	25.2
123.04451	2.8
123.08118	1.8
123.11720	24.8
125.02392	1.4
125.09633	10.3
125.13271	2.4
127.03958	5.5
127.11195	6.8
133.10130	6.5
135.11710	21.0
137.05954	1.5
137.09613	2.4
137.13271	16.0
139.03899	12.2
139.11185	8.2
143.14339	3.0
145.04919	2.4
147.11685	4.1
149.13264	44.2
151.03908	14.0
151.11154	2.0
151.14809	4.1
153.01849	21.9
153.05478	1.4
153.12703	5.6
155.14301	4.9
158.08191	1.1
159.11717	1.3
161.05916	1.7
161.13263	2.0
163.14819	12.1
165.05602	1.2
165.09023	1.5
165.16417	2.9
167.03496	1.9
167.07042	8.4
167.14326	22.0
169.12222	1.6
171.02878	2.6
171.13808	22.1
175.14783	8.3
177.05612	1.4
177.16408	7.0
178.16757	2.2
185.15302	1.4
189.78282	1.1
191.17929	1.4
193.15866	7.5
195.17462	2.3
211.16971	8.4
217.19576	1.6
237.22147	2.3
267.55829	1.3
273.25897	4.6
277.07071	2.7
279.26718	8.0
291.26834	36.3
297.06149	1.9
297.27930	20.3
309.27872	39.4
315.07071	1.9
315.28955	1.7
327.28970	19.9
345.30109	8.3
389.75757	1.2
525.19672	6.8
525.23505	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	526.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05519	6.0
57.03452	3.6
57.07067	1.9
59.05005	1.2
61.02935	0.8
67.05513	17.2
67.84264	0.6
69.03085	0.8
69.03438	10.4
69.07078	6.1
69.40435	1.7
69.40862	2.5
70.07413	1.1
71.04993	2.5
73.02906	1.0
75.04482	0.6
79.05508	4.0
81.03411	0.9
81.07066	39.3
82.07399	1.4
83.04980	1.7
83.08627	4.2
83.30581	0.6
85.02435	0.8
85.02921	9.9
85.06555	5.8
86.06892	0.7
87.04490	6.6
91.05489	3.0
93.07059	5.0
94.07391	0.8
95.04961	0.9
95.08617	27.1
96.08943	1.7
97.02897	8.3
97.06531	1.6
97.10177	2.1
98.97588	0.6
99.04460	0.9
99.08091	1.9
100.07600	0.7
100.11258	3.0
105.07047	4.9
107.08620	4.8
108.08930	1.3
109.02872	0.7
109.06512	1.2
109.10172	4.7
110.10461	1.0
111.04451	1.2
111.08121	1.0
111.11708	0.6
112.07589	0.9
112.19640	0.6
115.03941	6.7
119.08588	5.9
121.02866	1.2
121.10174	4.6
122.09685	1.1
122.10472	1.0
123.08070	2.4
123.11724	2.5
124.07623	1.0
125.09645	0.9
127.03922	1.0
133.04984	5.8
133.10164	3.8
135.11714	8.9
136.12016	0.7
137.05975	1.1
137.13274	61.7
138.09181	0.8
138.13620	0.9
139.11206	1.1
140.07082	1.5
145.04953	1.0
147.11696	0.7
149.13255	1.7
150.07628	2.3
150.13570	1.0
151.14844	1.6
153.01758	0.8
153.12744	0.6
161.13278	11.6
164.15163	0.9
165.09155	0.9
166.08629	0.8
167.07040	1.7
167.14305	1.0
177.16391	0.7
179.14333	9.9
182.15364	2.7
185.13297	0.6
197.15399	8.9
209.16512	0.7
210.14891	2.6
210.16710	0.6
215.16454	100.0
219.88861	0.6
227.17598	0.6
228.15926	0.8
279.26447	0.6
291.26785	0.6
292.27188	2.2
293.08957	0.7
309.27994	1.2
310.28241	1.4
313.11856	0.6
328.29413	1.4
361.14139	0.6
370.90808	0.8
453.34290	0.8
476.17987	0.9
494.19229	1.3
517.37073	0.8
526.22101	8.5
527.24847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1602
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
50.22536	0.2
55.01840	0.7
55.07188	0.3
57.03407	0.9
61.02889	0.9
69.03431	4.4
69.87589	1.3
70.03757	0.4
71.04954	0.5
73.02914	1.8
73.88713	0.3
81.03398	0.8
85.02905	10.0
86.03204	1.2
91.03914	0.6
97.02903	3.1
98.03220	0.5
99.04464	0.5
99.88099	0.3
101.00853	0.7
101.02350	0.4
109.02839	0.5
115.03893	0.4
119.01911	0.3
120.01984	0.3
121.01770	0.3
126.35438	0.3
126.68356	0.3
127.02402	0.3
127.03919	4.9
128.04224	1.1
131.01897	0.5
137.01872	0.3
143.01927	1.7
144.02025	0.6
145.01617	2.0
145.03398	0.5
145.03809	0.4
145.04962	3.9
146.05324	0.5
152.92429	0.3
153.53995	0.4
155.01874	2.4
156.02003	0.5
157.01639	1.1
157.03455	0.3
161.02945	0.9
162.03038	0.4
163.02705	1.1
167.01855	0.6
169.01653	0.7
173.02962	2.0
174.03047	0.4
175.02740	1.0
175.04391	0.5
183.55080	0.4
184.04993	1.1
184.55031	0.5
185.02679	1.3
185.04402	1.6
185.05685	0.5
186.03119	0.5
187.02702	1.3
188.03056	0.4
192.05486	0.3
192.55685	0.5
193.05470	1.2
193.55727	0.7
198.03040	0.3
203.05330	6.1
204.03932	0.3
205.03830	1.4
215.04027	0.5
216.04176	0.4
221.04878	0.6
223.04781	0.3
245.05064	4.4
246.05196	1.6
247.04845	3.3
248.05266	1.1
256.07104	0.7
256.57169	0.4
258.05246	0.3
259.04874	0.3
263.06073	1.4
264.06223	0.8
264.57782	1.0
265.05496	0.7
265.08176	2.2
265.57840	2.0
266.06296	0.4
273.08105	0.5
273.58273	1.7
274.08157	6.1
274.58389	4.5
275.05698	1.5
275.08701	0.6
276.06479	0.5
277.06061	1.3
278.06424	0.4
293.07294	0.3
305.07199	1.7
307.07004	0.4
335.08646	0.3
336.46790	0.4
347.09424	4.4
355.10684	0.4
355.61063	0.5
365.10544	76.1
366.09875	0.5
367.09467	1.2
368.09607	0.5
407.10605	0.8
425.11246	0.5
426.11670	0.6
427.11414	1.3
428.11844	0.6
527.15826	100.0
528.15991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54811	0.2
71.55154	0.1
85.02869	0.2
91.21358	0.1
95.08604	0.2
98.43609	0.2
109.10173	0.3
118.60490	0.1
121.95049	0.2
123.11702	0.2
275.07419	0.6
317.08472	0.3
333.08081	0.3
335.09579	0.8
395.20370	3.0
527.24658	100.0
528.24945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81209	0.2
53.03947	0.4
55.05503	0.3
57.03435	0.3
64.13696	0.2
65.10314	0.2
67.05511	1.1
69.03430	0.7
69.07048	0.7
70.75589	0.2
71.04980	0.4
71.08717	0.3
71.09048	0.4
79.05478	0.7
81.03427	0.8
81.07046	1.3
83.04986	0.3
83.08628	0.2
85.02911	1.1
85.06544	0.4
91.05460	1.0
93.07053	0.9
95.04944	0.5
95.08615	1.0
97.02907	0.5
97.06527	0.2
98.20857	0.2
98.97624	0.2
99.04491	0.3
105.07021	1.5
107.04958	0.4
107.08586	0.8
109.02869	0.2
109.06508	0.3
109.10162	1.1
110.06919	0.2
111.04418	0.4
111.08068	0.4
119.08598	1.0
121.06505	0.2
121.10150	1.1
123.08057	0.3
123.11705	0.3
125.06023	0.3
125.09656	0.3
127.03888	0.5
131.08591	0.3
133.10175	1.1
135.11722	0.5
137.05994	0.4
137.09637	0.3
137.13280	0.4
139.03903	0.3
139.07538	0.2
141.35753	0.2
145.04953	0.3
145.10135	0.4
147.04379	0.5
147.11690	0.2
151.07544	0.4
151.11223	0.3
159.11658	0.3
161.05901	0.2
161.09622	0.5
163.11227	0.4
165.09178	0.7
167.07080	0.4
171.11752	0.2
173.13211	0.2
175.11180	0.3
177.05482	0.3
189.09128	0.4
211.13341	0.3
213.06566	0.3
283.30765	0.2
307.32681	0.2
333.07996	0.3
335.09506	0.8
354.33377	0.2
395.20410	7.0
527.24628	100.0
528.24957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96196	0.6
56.54201	0.6
62.11538	0.6
68.05029	3.9
69.03432	0.9
69.07076	5.4
71.54877	0.8
73.02934	0.8
81.03413	1.4
81.07071	0.9
84.08104	0.9
85.02903	3.3
85.06557	0.8
86.06068	85.3
86.09707	57.6
86.10150	1.0
93.07030	1.2
95.08620	1.1
97.02886	1.9
98.09691	1.5
98.97574	1.4
99.04472	0.7
107.08580	0.8
109.02885	0.9
109.10200	0.7
112.62173	0.7
121.10107	0.9
125.03395	0.7
125.09682	0.9
127.03920	0.7
128.98672	0.7
131.04929	0.9
132.06578	17.9
133.06482	0.8
135.33926	0.7
136.07628	0.8
143.08160	82.8
145.05028	0.6
149.09558	0.9
153.01822	2.7
158.99686	1.0
160.05090	0.8
167.07002	1.2
169.12178	0.7
171.07649	100.0
199.14441	9.3
199.18088	1.0
209.15430	0.8
211.14449	1.5
219.01898	0.9
227.13911	2.5
227.17557	1.5
238.15468	1.2
239.13943	3.6
245.14963	12.1
249.11247	2.0
250.11514	0.7
256.16534	10.6
266.15067	2.4
284.16046	47.7
324.80652	0.7
336.16449	1.0
352.22269	7.0
369.24994	40.4
379.17270	3.0
382.15161	0.8
397.24457	41.6
457.99774	0.9
492.16895	0.9
510.17975	1.7
528.19922	2.4
528.30353	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	528.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61589	1.4
53.03946	3.7
55.01881	8.7
55.05516	21.2
57.03439	16.5
59.05008	4.6
64.00000	1.3
65.03944	2.0
67.05176	2.1
67.05509	30.1
67.94843	1.4
69.03424	4.8
69.07059	8.7
71.04997	7.0
71.34332	1.1
71.53421	1.8
73.02904	1.2
79.05063	2.3
79.05499	31.8
81.03423	57.7
81.06584	2.2
81.07063	38.7
83.01331	7.4
83.04988	23.8
83.08620	24.5
85.02435	1.6
85.02910	20.5
85.06559	1.8
85.49757	1.2
90.17664	1.2
91.05489	35.8
93.07048	34.4
95.04975	24.6
95.08605	16.7
97.02911	3.9
97.06539	6.1
97.10180	5.5
99.04471	3.4
105.07034	25.2
105.07693	2.1
107.04961	12.0
107.08600	18.8
109.06527	8.6
109.10165	4.2
111.04471	4.0
111.08073	8.0
113.05997	1.5
116.59630	1.3
117.07037	8.2
119.08592	20.9
121.06530	4.0
121.10151	11.4
123.08097	9.1
125.06044	1.9
125.09636	2.4
129.06999	9.0
130.07773	1.5
131.08559	10.8
133.06482	2.1
133.10120	12.0
135.08038	3.4
135.11713	10.7
137.09544	2.5
139.03873	1.6
142.07776	1.9
145.10129	16.1
147.08063	3.0
147.11705	12.8
149.09647	5.9
153.12740	2.5
157.10153	10.8
163.11177	19.7
165.12791	2.8
170.00418	1.2
173.09573	1.4
175.11200	14.5
181.12231	3.8
193.12253	44.2
209.11739	9.6
211.13297	83.9
227.12837	5.3
267.15921	14.4
283.15417	100.0
285.16980	62.0
383.22089	3.1
457.25806	2.6
475.26981	15.8
493.27975	94.9
548.05408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.01871	3.6
56.96569	5.3
57.03430	9.1
60.14338	3.3
61.02918	13.3
66.09824	2.9
67.05494	4.8
69.03439	26.2
70.00942	11.8
70.06580	3.2
71.05004	5.4
73.02914	9.1
74.97569	3.3
81.03412	9.6
85.02911	100.0
85.06560	27.1
87.04466	4.0
91.03973	7.0
93.07034	3.3
97.02908	30.2
98.97602	30.8
99.04455	7.4
102.96870	3.6
104.29097	2.8
109.02895	8.1
110.97578	5.4
116.98616	9.1
127.03939	31.3
128.98647	6.2
143.01846	5.9
145.04968	52.1
147.04355	3.4
153.01807	5.0
158.99680	16.1
161.02914	3.9
163.06056	13.7
166.51549	3.3
167.06985	4.6
170.99684	3.9
173.02899	3.5
177.00725	13.3
200.04382	4.5
201.00752	7.3
219.01706	14.6
226.06017	3.0
229.10753	10.4
237.02823	7.6
245.05145	4.2
253.19916	2.9
255.06297	3.8
261.02972	4.8
264.57730	6.1
265.07733	3.7
279.03879	4.6
281.06967	6.9
284.10022	5.9
284.60352	9.1
300.00916	3.9
303.01266	5.1
321.08395	4.6
348.59781	3.3
372.60706	4.9
529.16119	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56917	0.5
69.57330	1.0
81.07049	0.2
86.61098	0.2
93.07076	0.2
95.08630	0.4
107.08592	0.5
121.10165	0.4
135.11729	0.4
151.98592	0.2
161.80511	0.2
179.86174	0.2
249.11343	0.3
274.52359	0.2
275.07349	0.9
283.13306	0.2
320.22046	0.2
335.00864	0.2
335.09515	4.6
360.18420	0.2
367.93005	0.2
383.23889	0.2
397.21783	1.7
491.29663	0.3
529.26257	100.0
530.26965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22381	0.3
58.75212	0.3
65.91621	0.3
70.08543	0.8
70.08956	0.8
71.24313	0.4
83.08575	0.3
121.10200	0.5
125.72671	0.3
167.07042	0.5
213.05402	0.4
213.98836	0.3
249.11287	0.6
275.07401	0.5
295.08139	0.3
335.09460	1.6
336.19919	0.3
397.21851	1.9
529.26221	100.0
530.26355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.96563	0.3
69.03437	0.4
69.07090	0.2
70.81409	0.2
70.81751	0.4
73.02927	0.3
79.05502	0.2
81.07069	0.6
83.08674	0.2
85.02927	0.7
85.06561	0.2
91.05513	0.3
93.07115	0.3
95.08625	0.4
105.07037	0.2
107.08623	0.5
109.06481	0.2
109.10172	0.3
119.08601	0.2
121.10175	0.2
127.03835	0.2
133.10133	0.3
135.11720	0.4
137.06000	0.2
137.09669	0.2
147.04395	0.5
161.09662	0.2
165.09210	0.2
177.05452	0.2
180.52888	0.2
193.15994	0.2
195.17378	0.2
203.05286	0.3
206.70953	0.2
214.82137	0.2
235.16924	0.8
243.44421	0.2
269.36224	0.2
275.07455	1.2
306.42679	0.2
313.07642	0.2
317.08484	0.3
329.17349	0.2
335.09509	5.4
397.22006	3.1
485.23099	0.4
529.26361	100.0
530.26770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
64.80362	0.4
64.87404	0.4
67.05494	1.1
69.03413	0.7
69.07062	0.8
71.04981	0.4
71.53098	0.3
71.53432	0.4
79.05487	0.8
81.03398	0.5
81.07062	0.9
83.04979	0.5
85.02879	0.9
90.83163	0.3
91.05479	0.9
92.35934	0.4
92.52787	0.4
93.07051	0.8
95.04953	0.7
95.08612	0.7
105.07025	1.4
107.08580	1.1
109.10113	0.7
111.04430	0.4
114.61029	0.3
119.08569	0.7
121.06487	0.5
121.10126	0.6
125.09576	0.6
127.03969	0.5
129.07043	0.4
131.08585	0.6
133.10179	0.7
137.05925	0.5
139.03896	0.9
143.08510	0.5
145.10095	0.7
147.11752	0.6
149.09637	0.5
157.10158	0.5
163.11075	0.4
197.13542	0.4
217.65057	0.4
302.99146	0.4
341.97406	0.4
390.44006	0.6
474.71115	0.4
499.31894	1.3
529.26318	10.0
529.33417	100.0
530.33447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3537
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.05518	13.1
57.03446	5.6
61.85414	6.1
65.03931	6.6
67.05512	27.1
67.46004	5.7
69.07063	22.7
79.05486	16.4
81.03417	8.5
81.07053	43.5
83.08596	16.6
91.05470	18.4
93.07058	28.3
95.08604	36.0
97.06541	9.5
97.10136	9.4
98.21526	12.5
105.07034	22.7
107.08595	24.7
109.10179	8.2
119.08591	47.6
121.06561	6.2
121.10137	17.1
123.11693	10.5
129.07045	8.9
131.08598	9.0
131.89484	6.4
133.10143	40.6
135.11714	21.4
143.08592	6.1
145.10136	16.8
147.11708	11.2
149.13255	7.4
155.08536	7.1
157.10127	12.6
159.11716	17.1
161.13264	10.7
171.11719	7.8
173.13261	16.1
175.14825	63.1
187.14864	14.8
189.16399	22.3
201.29420	5.8
215.14279	7.9
217.15952	9.0
275.20029	10.2
283.19995	6.1
405.31323	7.7
451.32166	77.1
469.32715	17.8
511.34384	27.3
529.35199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00287	0.8
51.02384	0.8
51.59955	0.8
53.03943	4.4
55.01867	1.6
55.05510	12.0
57.03430	2.7
57.07064	2.3
65.03925	1.4
67.05505	42.7
69.06721	1.2
69.07067	14.1
70.06583	0.8
71.04988	2.4
71.54140	0.9
79.05495	32.3
79.50972	0.9
81.03422	2.6
81.07056	43.9
83.04987	2.9
83.08617	8.3
85.06536	2.9
88.07600	0.9
91.04908	0.9
91.05476	21.0
93.07044	39.3
95.04987	4.3
95.08607	20.2
97.06520	5.8
97.10177	1.6
99.08102	1.2
101.17054	1.0
105.04582	1.0
105.07033	14.3
105.40573	0.9
107.08591	21.7
109.06544	1.0
109.10148	8.9
111.08107	2.3
115.05438	1.0
117.07014	8.5
119.08572	11.2
121.06530	0.9
121.10132	13.3
123.08123	1.2
123.11697	2.0
124.11272	0.8
129.07030	2.7
131.08583	14.0
133.10149	9.9
135.11687	8.5
137.09599	1.0
143.08583	4.1
145.10114	7.7
146.60121	0.9
147.11703	4.4
149.13243	15.1
155.08534	1.3
157.10127	4.0
159.11670	10.3
161.13280	3.0
163.14832	1.3
163.83144	0.8
169.10141	2.1
171.11731	2.7
173.13272	4.5
175.14896	1.5
177.12805	3.0
183.11710	2.1
185.13284	2.4
187.14836	1.9
191.30478	0.9
195.12016	1.3
195.13863	4.6
197.13309	1.2
199.14731	1.9
211.14775	1.2
256.26373	5.0
261.22235	2.9
299.23926	0.9
317.24948	1.2
437.34024	4.1
455.35144	2.1
471.23657	0.8
511.37717	3.4
529.38940	100.0
530.39270	1.5
548.86536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01864	1.8
55.05513	15.2
57.03438	4.0
57.07073	2.7
59.04993	0.5
65.03944	3.4
67.05507	54.1
69.03421	0.6
69.07071	16.6
69.39774	0.9
69.40181	2.7
71.04996	2.5
71.08623	0.6
77.03917	1.0
79.05494	43.9
81.03423	3.2
81.07058	60.2
83.04988	3.9
83.08141	0.7
83.08622	9.3
83.09118	0.6
85.06549	2.4
86.96754	0.4
91.05481	26.4
93.07047	57.1
95.04980	5.3
95.08607	28.8
96.64764	0.4
97.06533	6.8
97.10175	2.2
99.08095	1.9
103.05475	0.7
105.04508	1.6
105.07034	14.9
107.08597	26.7
109.06535	1.7
109.10155	7.8
111.08076	4.5
111.10443	0.5
111.11758	0.8
113.05991	0.4
115.05450	0.6
117.07020	8.1
119.08581	10.5
121.06521	1.3
121.10145	22.4
123.08068	0.9
123.11725	3.0
125.09639	0.8
129.07027	1.6
131.08569	14.2
131.09529	0.9
133.10135	10.0
135.08060	0.8
135.11694	11.2
137.13213	0.6
141.07010	0.5
143.08534	2.6
145.10120	6.5
147.11670	5.4
149.09555	0.6
149.13263	21.8
151.11197	0.7
153.09129	0.6
154.63713	0.5
157.10167	1.9
159.11694	11.0
161.13232	3.3
163.14828	0.9
165.12769	1.1
167.14375	0.4
169.10129	1.3
171.11694	2.1
173.13301	4.0
175.14882	1.6
177.12781	4.2
177.16415	0.5
179.14320	0.5
181.10059	0.8
182.64061	0.4
183.11667	0.8
185.13261	1.9
187.14787	2.2
189.16501	1.0
193.12372	0.5
195.13808	6.6
199.14845	1.4
201.16449	0.9
207.17482	0.4
209.13298	0.5
213.14787	1.1
215.18135	0.5
217.15965	0.6
219.17632	0.6
237.16327	0.5
243.21175	1.4
257.19113	0.5
261.22168	4.5
269.17502	0.7
299.23541	0.5
317.24802	1.8
323.11966	0.4
419.33197	0.5
437.34219	2.5
455.35190	1.3
473.36261	1.0
483.34760	0.9
493.36841	0.4
511.37854	1.6
529.38940	100.0
530.39349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21739	1.3
55.01842	1.2
69.03428	1.5
69.07069	1.4
69.58507	8.5
79.05473	2.4
81.07018	1.5
85.02891	3.1
88.11253	1.5
91.05486	9.3
93.07042	4.5
93.21270	1.3
95.04954	3.0
95.08588	2.2
97.02898	2.3
98.97576	3.2
103.05470	10.2
105.07024	5.6
106.04164	5.2
107.04321	1.5
107.04973	15.0
107.08575	1.3
109.06548	1.4
119.04903	2.5
121.06518	11.3
123.04414	2.9
123.08041	1.7
124.07577	2.2
128.06212	2.6
129.07001	4.3
130.04195	1.7
131.04909	7.1
131.08556	2.6
132.05675	2.0
133.02791	2.2
133.06488	3.2
133.10165	1.6
135.08058	4.3
137.05972	6.2
138.09109	1.5
145.02718	1.5
146.07220	2.7
148.05151	5.1
149.06020	10.0
149.09660	1.6
151.07542	3.7
151.11319	1.4
153.05435	2.6
153.09071	3.6
157.06546	2.9
158.36279	1.6
158.99615	1.3
160.05251	2.8
161.05983	89.7
161.09595	22.2
163.03857	1.5
163.07536	18.3
164.10674	1.5
165.05453	3.2
166.08656	2.4
167.07050	30.6
173.09717	1.9
174.06735	3.9
175.07492	7.8
177.05428	6.3
177.09169	2.6
179.07034	1.7
180.07832	6.8
181.08588	18.4
189.07404	2.8
189.09105	54.3
191.07022	14.4
192.07817	7.3
192.10199	1.7
193.08609	2.5
197.08035	2.3
207.10175	100.0
209.06317	1.9
209.08109	19.2
209.15344	8.9
213.07785	1.7
219.01773	2.0
219.10158	5.2
249.11240	5.4
249.77769	1.6
250.11487	7.3
257.11768	1.9
263.10306	1.8
263.13037	1.3
271.09738	1.3
275.70520	1.3
279.09991	3.2
285.11142	2.4
301.07285	4.1
315.12280	3.0
317.13852	6.3
323.12506	3.3
341.13776	2.9
343.15466	7.5
361.16428	40.6
373.16687	6.7
500.20157	2.4
512.20093	2.2
521.19446	1.5
530.27051	50.2
557.19031	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	530.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36769	0.7
53.03955	4.3
55.01880	3.7
55.05263	1.4
55.05518	17.6
55.28136	0.7
57.03160	0.9
57.03443	16.6
60.04527	1.8
62.10373	0.8
65.03947	2.0
67.05511	26.1
69.03429	4.5
69.07074	9.2
69.87692	3.0
71.04990	6.1
74.77894	0.8
79.05502	33.5
81.03426	78.6
81.07065	32.1
83.04992	18.2
83.08144	1.6
83.08627	25.6
84.28269	0.8
85.02913	26.5
85.06543	2.5
87.04444	0.9
91.05488	40.7
93.07050	22.5
95.04978	29.9
95.08620	11.6
97.02901	3.1
97.06537	4.8
97.10183	4.0
98.20897	1.2
99.08116	1.6
105.07045	31.7
107.04965	8.0
107.08605	8.2
109.06527	5.7
109.10174	3.5
111.04462	2.3
111.08094	13.4
113.06024	3.4
115.05453	2.0
117.07036	2.4
119.08594	21.8
121.10159	9.6
123.08073	3.7
123.11736	2.4
125.09647	1.2
128.06219	0.9
129.07024	14.7
131.08583	12.7
133.06517	3.1
133.10159	14.8
137.09634	1.6
142.07808	4.3
144.06577	1.0
145.10155	2.2
147.08066	4.4
147.11708	16.7
149.09657	8.3
157.10149	17.3
159.27452	0.9
163.11287	1.2
165.12779	2.3
175.11209	18.0
178.70099	0.8
193.12263	63.2
211.13319	100.0
249.14865	0.9
267.15933	25.2
285.16998	93.2
364.55624	0.8
367.23026	1.4
385.23813	1.8
459.27393	8.4
477.28525	12.7
495.29605	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62633	2.2
55.01860	3.4
55.05516	17.8
57.03435	17.3
58.42633	2.2
61.90737	2.9
67.05510	24.0
69.03409	4.5
69.07049	11.3
71.04979	7.2
71.92795	2.5
72.74810	2.3
79.05489	28.1
81.03420	78.5
81.03913	3.8
81.07052	33.3
81.67563	2.4
83.04977	24.1
83.08620	32.3
85.02908	30.0
85.06541	4.5
91.05480	34.8
93.07049	16.5
95.04970	29.7
95.08605	13.5
97.06538	3.3
97.10167	5.7
105.07024	25.0
107.04939	10.2
107.08611	13.6
109.06496	5.0
109.10105	2.8
111.04450	4.1
111.08067	9.1
113.06021	2.6
119.08581	22.1
121.10144	11.4
123.08072	4.6
129.06995	15.5
131.08578	15.1
133.06444	4.2
133.10143	12.3
137.09648	3.9
143.95660	2.5
147.11684	18.2
149.09613	7.7
157.10147	14.3
165.12737	3.3
175.11227	19.6
193.12238	58.9
211.13293	90.9
229.47539	2.9
267.16010	30.6
281.59396	2.4
285.16965	100.0
357.08612	2.5
385.23276	3.1
438.30457	2.6
459.27341	10.1
477.28525	24.8
495.29517	72.8
525.13007	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	530.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01861	1.1
55.05513	2.9
57.03439	2.8
57.07075	7.7
61.02949	0.3
67.05510	2.7
69.03428	3.6
69.07067	5.1
69.40170	2.6
71.01345	0.6
71.04988	1.5
72.08126	0.4
73.02910	1.8
73.06540	0.5
74.04011	0.3
75.04472	0.3
75.42809	0.3
79.05496	5.1
81.03409	1.5
81.07055	6.0
83.04980	2.2
83.08640	1.7
85.02914	4.0
85.06543	10.0
85.21487	0.3
86.56525	0.3
87.04474	4.2
87.08116	1.1
91.05482	20.9
93.07049	2.8
94.27422	0.3
95.04972	1.0
95.08607	1.7
97.02887	0.9
97.06532	1.1
97.10156	0.3
99.04449	1.1
99.08096	1.3
103.03960	0.7
103.05487	0.4
103.07585	0.4
104.06271	1.0
105.07040	4.1
107.08620	1.7
108.33983	0.3
109.06535	2.4
109.10145	0.6
111.04437	0.7
111.08076	6.1
115.03922	0.9
115.07554	0.4
117.05466	0.6
117.07018	0.8
121.10162	0.5
123.08057	1.9
125.09650	1.8
127.07558	6.7
129.05515	0.5
129.09132	1.7
131.08611	0.5
133.10133	100.0
134.10468	0.4
135.08040	0.9
135.50352	0.3
137.09668	0.4
141.09062	0.7
143.08551	0.4
145.10181	0.4
147.08051	3.4
147.11728	0.5
149.09625	22.5
153.09097	6.2
159.11769	0.4
169.08589	0.6
171.10175	15.8
185.13223	0.5
187.09641	0.9
187.11223	0.6
187.14813	0.4
189.11221	20.7
201.16409	0.7
217.15759	0.4
229.12247	0.3
247.13582	0.5
255.17740	0.4
319.19064	0.6
337.20111	5.0
411.00409	0.3
435.32419	0.5
485.29001	5.5
504.68466	0.4
530.39972	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	531.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.5
64.11153	1.3
69.03415	4.0
69.87247	5.0
78.68719	1.1
81.03419	2.5
81.84966	1.3
82.99840	2.1
84.04493	1.5
85.02908	7.9
96.02636	1.0
97.02888	4.4
101.00892	16.5
101.35493	1.1
113.00866	3.6
119.01926	24.8
127.02386	6.5
127.03866	2.8
131.01913	10.3
136.75993	1.1
137.02969	1.4
139.02406	2.1
143.01913	28.5
145.03476	20.7
145.04756	2.2
147.01439	1.9
149.02954	1.3
155.01923	15.4
157.03503	9.7
159.01407	4.3
159.04973	1.3
161.02969	27.7
163.04536	1.7
167.01881	10.5
169.03467	5.4
171.01408	5.5
171.05029	3.5
173.01575	2.1
173.02988	21.0
175.04497	2.0
177.02455	8.3
179.01901	4.8
183.01427	4.5
184.04558	1.1
185.02972	36.9
187.04509	3.9
189.02428	19.5
191.04027	1.4
197.03001	13.6
199.04469	1.5
201.02489	11.0
203.04041	11.3
207.03508	9.8
209.02979	1.7
211.00955	1.3
213.02388	1.9
215.04048	8.4
219.03468	4.6
221.05112	4.6
225.04430	2.3
227.04041	10.6
231.03513	23.2
233.05087	1.2
237.02589	1.7
243.03391	3.3
245.05093	100.0
246.05145	2.0
249.02338	2.2
249.04596	23.2
249.29384	1.3
256.06366	3.7
257.05109	4.0
261.04568	12.1
263.06192	16.7
264.07486	1.1
267.05673	1.6
270.07077	2.2
273.04694	3.1
275.06149	17.4
279.05429	7.0
285.04602	2.6
287.06046	1.7
291.05682	17.4
293.07156	4.2
303.05573	1.7
305.07175	14.0
309.06668	6.5
317.06323	1.4
321.10254	2.7
333.06705	18.7
335.08389	7.6
339.09790	1.4
347.08249	1.4
351.04413	0.8
351.07730	31.1
365.09341	32.3
369.08649	4.4
383.10181	2.1
397.10931	1.5
459.67795	1.3
460.75015	1.4
513.13068	18.8
531.14514	6.0
531.68768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85461	1.2
53.03941	3.9
55.01871	3.1
55.05274	1.0
55.05513	13.8
55.55253	0.9
57.03433	2.8
57.07076	3.2
60.00894	0.9
62.55132	1.0
65.03932	1.9
67.05506	55.8
69.03416	1.4
69.07072	14.9
71.04987	3.9
71.54929	1.7
73.06559	1.2
74.48110	1.2
79.05067	2.1
79.05495	33.7
81.03419	2.8
81.07057	50.6
83.04988	5.7
83.08635	6.6
85.06539	3.2
87.04472	7.3
91.05484	44.4
92.90891	1.1
93.07050	38.2
95.04952	5.8
95.08613	25.1
97.06535	3.5
97.10172	3.6
99.04431	1.9
99.08059	1.6
105.04541	1.3
105.07034	37.1
107.04941	1.3
107.08601	39.0
109.06496	4.2
109.10158	53.6
113.06042	1.5
113.26271	1.5
117.06992	5.9
119.08571	11.4
121.10132	15.5
123.08063	2.6
123.11724	8.9
127.07579	2.4
129.07004	2.3
131.08562	9.6
133.10139	58.1
134.10379	1.1
135.11697	11.1
145.10114	7.0
147.11670	5.6
149.13255	4.6
151.11186	30.3
159.11708	5.5
161.13225	2.9
163.14877	1.5
169.12224	7.5
173.13269	5.4
177.05527	1.2
187.14713	1.9
189.16341	1.9
193.12206	1.7
201.16406	1.1
215.12836	3.4
243.21062	3.2
253.14349	61.3
261.22147	15.7
271.15448	2.4
317.24783	3.4
439.31964	1.9
457.33154	3.3
513.35883	10.1
513.89801	1.3
531.37524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
51.02384	1.1
53.03944	4.3
55.01875	3.2
55.05269	1.7
55.05519	28.6
57.07092	3.8
65.03946	3.0
67.05511	53.1
69.07077	19.2
70.10714	1.6
70.11061	5.2
71.01360	1.5
71.05003	3.2
79.05502	42.4
81.03423	3.8
81.07066	48.6
83.04996	4.3
83.08626	14.0
85.06567	3.5
91.05494	41.3
93.07051	44.8
95.04980	6.8
95.08617	34.5
97.06512	6.6
97.10189	11.4
99.08089	3.0
103.05450	1.3
105.07036	37.9
107.04948	2.3
107.08610	29.9
109.06539	2.4
109.10170	16.7
111.08096	3.2
113.09712	1.5
115.05494	2.0
117.07031	19.0
119.08595	40.3
120.82834	1.3
121.06494	2.1
121.10152	20.4
123.08114	3.6
123.11736	3.2
125.09636	6.3
127.83530	1.3
128.06282	4.4
129.07022	11.1
130.07848	1.9
131.08578	30.4
133.10149	31.9
135.08058	2.4
135.11711	25.9
137.09669	2.5
137.13263	1.5
139.11174	1.6
141.07031	1.6
142.07829	3.7
143.08586	21.8
145.10141	35.8
145.11287	1.8
146.10963	1.4
147.08107	2.3
147.11694	23.1
149.09642	2.2
149.13300	7.7
151.11247	2.5
153.12778	1.7
155.08554	8.7
156.09436	1.6
157.10141	20.4
159.11720	29.2
159.13019	1.9
161.09663	2.8
161.13258	19.1
163.11240	3.6
163.14861	3.0
165.12729	2.4
167.08629	2.7
169.10153	9.3
171.11708	21.9
173.13271	18.0
175.11255	2.8
175.14894	8.6
177.12727	1.8
181.10173	5.9
181.12206	6.1
183.11766	11.5
185.13280	18.6
187.14856	10.5
189.16434	1.6
193.10269	2.0
193.12338	1.6
195.11728	5.4
197.13315	8.5
199.13223	2.1
199.14809	10.7
201.16295	2.6
207.11778	1.4
209.13329	4.3
211.14839	4.8
213.13200	1.6
213.16449	5.4
215.17984	1.8
221.13362	2.1
223.14957	2.4
225.16391	2.7
231.21187	2.6
235.16931	1.5
237.16417	2.7
241.19562	13.5
243.21222	1.5
253.14429	5.6
255.15881	24.0
257.19299	2.4
259.20618	28.2
261.22186	3.8
275.20374	1.7
277.21857	1.5
285.22235	4.4
287.23611	2.0
295.20630	1.7
297.18692	1.4
297.22122	3.1
299.20044	1.5
299.23822	1.6
301.21609	2.6
309.22150	1.6
313.21759	2.0
315.23141	3.3
323.23862	2.4
327.23300	1.7
329.24738	2.1
333.24304	11.9
341.24872	2.1
353.24765	1.4
393.31631	2.3
403.30066	6.3
409.31049	3.5
411.32700	6.8
413.79681	1.4
421.31055	20.8
427.32129	2.6
429.33881	4.0
439.32220	18.7
457.33249	15.8
485.36154	6.2
495.34808	8.1
501.35974	6.1
503.37354	26.9
503.44031	2.5
513.35834	100.0
531.36902	55.8
538.01447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Rubianol b
Peak:m/z	Relative Intensity
50.05690	1.2
53.03941	6.0
55.01869	2.8
55.05512	16.0
57.03434	6.7
57.07076	2.7
62.78966	1.4
65.03949	2.5
67.05507	48.9
69.03432	3.6
69.07064	11.1
69.86823	6.6
71.04977	5.1
74.09684	1.9
79.05063	3.0
79.05495	42.8
81.03419	32.5
81.07065	41.0
83.04993	7.5
83.08624	18.0
85.02906	15.9
85.06575	1.3
91.04910	2.1
91.05485	35.8
93.07048	40.8
95.04969	18.1
95.08616	28.7
97.06520	5.0
97.10175	4.4
105.07037	27.3
105.07686	2.3
107.04923	2.9
107.08592	25.8
109.06555	4.7
109.10167	14.3
111.04440	1.4
111.08064	7.3
117.07043	6.6
119.06126	1.7
119.08574	18.6
121.06516	3.1
121.10146	17.8
123.08089	2.7
123.11718	5.5
125.09631	3.3
129.07031	7.2
131.08559	13.9
133.06511	3.3
133.10135	17.5
135.11674	6.5
143.08572	2.7
145.10124	9.0
147.08078	1.6
147.11700	12.4
147.12727	1.7
149.09645	2.8
149.13298	3.9
151.11185	3.6
155.08548	2.2
156.85547	1.5
157.10136	8.2
159.11676	6.8
160.97003	1.2
161.13280	3.0
165.12843	1.5
169.10123	2.5
171.11693	3.6
173.13295	2.6
175.11215	5.6
175.14832	2.1
183.11717	1.9
185.13249	2.5
187.14847	1.9
189.11134	1.7
193.12250	25.4
195.00089	1.4
211.13293	32.4
211.15254	1.7
227.12804	2.1
247.20607	3.1
253.14339	3.1
267.15976	3.3
271.20605	2.3
287.23764	2.7
303.23160	1.8
321.24530	3.7
396.14307	1.6
421.31113	3.4
439.32098	2.6
446.06625	1.7
457.32950	2.4
501.97577	1.5
513.35846	17.5
531.36835	100.0
532.37085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27777	1.1
53.03954	2.9
55.01868	4.0
55.05517	11.1
57.03435	2.5
57.07066	3.4
65.03952	3.2
67.05513	55.7
69.03437	1.3
69.07076	12.6
71.04987	3.0
71.08609	1.2
71.39269	1.7
79.05504	33.8
81.03416	3.8
81.07065	49.4
83.04991	5.0
83.08622	6.4
83.25769	1.1
85.06562	3.9
87.04484	6.6
87.94377	1.2
91.05489	39.8
93.07053	39.2
95.04976	4.3
95.08624	21.6
97.06538	2.5
97.10175	2.1
99.04445	2.5
103.75652	1.3
105.07040	34.2
107.04932	1.3
107.08604	38.9
109.06526	4.3
109.10171	47.1
109.10935	2.3
111.08086	1.9
113.06037	1.7
117.07023	4.6
119.08590	11.3
121.10162	12.4
123.08081	1.5
123.11745	7.7
127.07542	1.9
129.07060	1.8
131.08566	10.2
133.10146	54.0
135.11693	10.6
137.09592	1.7
143.08548	1.4
145.10146	6.1
147.11720	5.7
147.82288	1.3
149.13257	5.6
151.11201	32.8
159.11723	4.1
161.13290	2.7
163.14871	2.7
169.12218	7.8
170.53905	1.4
171.11731	1.5
173.13286	4.5
175.14819	2.4
187.14880	2.4
189.16457	2.2
215.12802	2.6
243.21109	2.7
253.14378	51.3
261.22186	13.8
271.15323	2.2
317.24814	3.3
412.35861	1.2
439.31982	2.6
457.33154	3.6
469.33307	1.4
513.35675	8.0
531.37628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05518	11.9
57.03428	4.3
57.07075	3.5
61.02920	4.7
63.71083	1.1
65.03935	2.3
67.05507	63.4
69.03423	2.4
69.07067	11.6
71.04979	1.9
71.08640	1.8
71.53600	1.3
71.54067	1.8
74.09737	1.8
75.04462	1.8
79.05494	42.5
81.07059	70.2
83.08639	6.6
85.02912	5.8
85.06539	3.2
91.03967	2.9
91.04969	2.0
91.05485	23.6
93.07046	54.5
93.07635	2.9
95.04972	2.1
95.08607	54.1
97.02881	2.7
97.06518	3.5
97.10161	3.9
99.08102	2.1
105.07027	19.0
107.08598	36.8
109.10158	30.3
111.63846	1.1
113.09608	1.6
117.07018	9.0
119.08601	19.5
121.09322	2.6
121.10151	34.1
123.08109	1.9
123.11707	16.3
125.09613	2.3
131.08578	21.0
133.10130	13.3
135.11690	30.7
136.39957	1.1
137.09650	2.0
137.13243	5.9
139.11174	1.6
145.10117	15.3
147.11693	10.2
149.09703	1.5
149.13271	21.7
151.11177	2.3
151.14803	2.3
153.12738	2.3
159.11702	15.1
161.13235	11.9
163.11298	1.4
163.14810	17.4
165.12735	2.8
171.11707	1.3
173.13257	14.3
175.14827	4.4
177.12743	2.4
177.16382	7.1
179.14322	1.8
187.14816	12.8
191.14229	1.4
201.16402	2.9
205.15871	1.7
209.91617	1.3
215.18002	2.3
233.15337	1.5
233.22705	3.5
243.21100	36.4
261.22153	100.0
263.23822	2.1
279.23306	2.9
335.25793	16.1
353.26865	35.6
421.81448	1.3
514.35889	1.5
532.38007	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	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13531	1.0
53.03939	2.9
55.05516	11.3
57.03433	6.0
57.07051	2.4
61.02899	4.7
65.03934	1.9
67.05505	69.4
68.34190	1.0
69.07071	10.3
69.27557	8.3
71.04982	2.5
71.08602	1.0
73.02903	1.7
75.04484	1.2
77.03912	1.2
79.05493	38.9
81.07056	76.9
83.04987	1.5
83.08606	6.9
85.02903	3.1
85.06533	4.0
91.03945	2.9
91.05481	21.9
93.07043	53.1
95.04942	1.4
95.08604	60.5
97.02882	3.7
97.06506	2.9
97.10136	3.1
99.08072	3.6
105.04541	1.2
105.07026	14.0
107.08592	32.8
107.17525	1.1
109.06506	2.6
109.10154	36.9
111.08076	2.2
111.11700	1.5
113.09657	1.4
117.07014	7.6
119.07812	1.2
119.08589	15.6
121.10148	32.6
123.08105	1.4
123.11712	17.3
125.09637	1.6
127.03897	1.1
131.07610	1.3
131.08571	19.6
133.10129	13.4
135.11688	25.9
137.09566	2.1
137.13231	7.1
139.11179	2.2
145.10126	13.7
147.11681	12.9
149.13261	20.4
151.11160	2.9
151.14790	2.9
153.12782	1.8
159.11674	14.4
161.13263	11.5
163.11130	1.3
163.14824	14.5
165.12726	2.6
173.13258	15.8
175.14774	4.4
177.12778	1.2
177.16344	4.1
179.14265	3.7
179.98503	1.0
187.14803	8.8
194.65472	1.1
200.42432	1.2
201.16368	4.2
205.15897	2.6
215.17966	2.0
216.68916	1.1
222.68138	1.0
233.22606	3.0
238.98947	1.0
243.21065	31.8
245.22726	1.4
261.22131	100.0
279.23248	5.0
298.71997	1.1
335.25827	32.0
353.26852	37.9
426.58597	1.1
469.32480	1.4
497.30920	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	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
51.10614	0.6
53.03942	3.0
55.01863	4.1
55.05505	1.4
56.39676	0.6
57.03434	10.0
59.04991	0.9
61.02927	10.6
67.05495	2.1
69.03429	29.6
69.07070	7.7
70.07206	2.8
71.01325	1.0
71.05001	4.3
72.94250	0.7
73.02915	2.9
73.58680	0.6
74.90183	0.8
79.05489	2.5
81.03415	13.8
81.07043	3.6
83.01332	1.6
83.04975	0.6
83.08620	1.9
85.02904	93.5
87.04460	4.6
91.03967	5.0
91.05475	2.8
93.07029	3.3
93.77187	0.6
95.04977	6.5
95.08594	3.7
97.02891	31.2
97.06516	3.7
99.04440	5.3
101.02377	0.7
105.07043	2.7
107.08591	5.6
109.02879	10.1
109.06523	4.4
109.10122	1.4
113.05984	0.8
115.03915	1.4
119.08580	2.9
121.06510	3.0
121.10155	2.9
122.07281	3.7
123.08067	19.2
123.11722	1.5
127.03915	24.5
131.08591	1.3
133.10126	5.1
135.08055	29.5
135.11646	3.2
135.92624	0.7
137.09631	2.1
145.04959	37.6
145.10091	1.1
147.11681	2.2
148.08841	1.5
149.09624	2.0
149.13240	1.2
161.09637	1.1
163.06004	6.4
165.12753	21.2
171.06531	2.5
173.13345	1.2
175.14803	4.7
176.12009	4.5
177.12581	1.1
189.07588	3.8
191.14304	100.0
192.14705	0.9
193.15881	13.7
207.13838	3.0
209.15367	15.9
309.17117	1.1
353.19666	3.0
371.20679	10.7
533.25916	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03935	7.7
55.01850	3.4
55.05518	28.9
55.12730	3.5
57.03431	10.6
57.07069	8.1
67.05510	91.5
69.07079	29.5
71.04971	5.7
71.23315	5.8
75.06509	4.2
78.45983	3.2
79.05498	54.1
81.03417	8.5
81.07063	74.8
83.04980	10.8
83.08635	16.8
85.06562	5.9
89.27113	3.5
91.05492	42.6
92.51477	3.3
93.07047	61.0
95.04959	6.0
95.08066	3.9
95.08614	50.2
97.06500	5.9
97.10177	10.0
99.08115	3.8
105.07044	30.4
106.93033	3.1
107.08594	42.7
109.10165	31.9
111.08107	3.3
112.07066	3.7
117.07022	9.8
119.08590	29.1
121.10177	26.2
123.08134	3.7
123.11688	11.1
129.07005	7.2
131.08565	22.3
133.10147	25.4
135.11711	35.4
145.10147	19.8
147.11697	17.8
149.09584	3.5
149.13257	10.5
151.11203	5.9
157.10115	7.4
159.11708	14.4
161.13318	9.1
163.11096	5.1
163.14819	5.9
173.13258	10.9
175.14751	5.4
176.83963	3.6
177.16583	4.0
181.12231	11.1
187.14760	6.1
193.12213	5.7
243.21114	4.3
255.15944	31.4
261.22046	22.0
296.15686	4.1
317.24765	5.9
335.25803	29.3
423.00668	3.8
423.32532	12.9
441.33649	9.3
459.34512	6.7
497.36163	4.0
507.82809	3.8
515.37347	100.0
533.38458	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.05519	21.7
57.03434	6.4
57.07079	10.7
61.02921	6.8
63.00589	1.8
63.77201	1.8
65.03953	2.6
67.05505	80.6
69.03431	3.4
69.07074	31.3
69.07423	3.8
71.04993	3.1
71.08627	6.8
71.54516	1.8
71.54945	3.3
73.02883	2.6
74.09734	3.0
75.04495	3.0
75.89241	2.1
78.52638	2.1
79.05492	27.4
81.07058	100.0
83.08627	21.6
83.87257	1.9
85.02905	6.3
85.10176	3.0
86.09712	2.3
88.11258	3.0
91.05484	17.6
93.07048	29.5
95.08608	83.7
97.02874	4.2
97.06519	8.1
97.10145	11.3
99.08097	4.9
104.10757	6.4
105.07005	14.1
107.08604	21.0
109.06588	3.0
109.10161	43.6
111.08090	5.8
111.11720	5.7
113.09659	3.2
119.08559	16.5
121.10153	27.1
123.11726	23.0
125.09622	3.1
127.11199	3.1
130.09657	2.0
131.08572	4.3
133.10143	16.0
135.11679	19.4
137.13257	9.5
141.12753	5.5
147.11673	10.6
149.13266	13.2
151.11143	2.2
151.14835	7.9
155.14319	4.6
161.13252	12.8
163.14810	11.7
165.16405	9.2
175.14836	10.0
179.17958	8.8
189.16402	5.3
196.42815	2.3
217.19496	2.5
245.22630	70.1
263.23706	96.7
265.81320	2.2
328.51181	2.1
337.27365	73.8
355.28445	8.9
398.31561	2.4
534.38373	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	535.109
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03744	0.2
53.03955	1.6
55.01884	1.6
57.03442	1.1
61.02921	1.0
65.03931	0.2
68.99796	1.1
69.03437	6.1
69.03815	0.4
69.07071	0.2
69.23692	1.8
70.62078	0.2
71.04989	0.9
73.02917	1.5
79.05492	0.4
79.72585	0.2
81.03431	7.2
81.07068	0.3
82.88128	0.2
83.01347	0.2
85.02916	10.1
85.06522	0.2
87.00840	4.6
87.04498	0.2
91.03954	0.5
91.05493	0.3
93.07066	0.4
95.04980	0.3
97.02908	4.1
99.04470	2.2
105.01881	2.5
105.07005	0.2
107.04950	0.4
107.08604	0.2
109.02896	6.1
109.10153	0.4
111.00815	0.6
117.01910	0.9
119.04926	0.2
119.08589	0.2
120.26059	0.2
121.02886	2.3
121.10152	0.3
127.03932	9.0
129.01826	0.4
133.02881	0.4
133.10144	0.3
137.02354	0.8
137.05991	0.3
137.09621	0.2
145.04971	2.8
145.06285	0.3
145.06476	0.2
147.02913	0.4
147.04382	0.6
149.09520	0.2
153.01857	3.3
157.06526	0.3
159.02917	3.9
161.05994	0.4
165.01862	1.6
167.07001	0.2
171.04407	0.3
183.02924	0.7
185.06017	0.2
193.15688	0.2
203.06995	0.3
211.16988	0.4
213.05557	1.3
231.04996	0.7
231.06721	0.6
241.04996	0.6
258.05276	1.0
286.04883	0.2
287.05533	100.0
288.06039	0.4
329.06531	0.4
446.15125	0.2
450.85968	0.2
535.21313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.0
55.47416	1.9
61.02911	2.2
69.03438	3.1
79.05507	2.3
81.03432	2.7
81.07036	2.6
83.04989	2.2
83.15318	1.9
85.02906	7.8
91.05486	5.3
95.04964	2.4
95.08598	2.4
97.02900	4.5
103.19391	2.1
105.07047	3.4
107.04947	4.6
107.08658	2.1
109.02933	2.7
109.10135	2.4
119.04971	10.0
121.02876	39.8
121.10117	2.1
129.07011	2.5
133.06500	2.1
137.05994	7.3
145.02850	6.2
147.04417	3.6
151.07596	6.6
161.06004	3.8
163.03958	3.9
163.07663	2.0
167.07037	3.4
175.03836	2.3
177.01880	4.3
179.07071	3.0
187.03917	3.0
189.01859	10.0
191.03432	5.1
195.02931	3.4
199.03882	3.3
203.03401	13.5
205.05035	2.4
207.02914	5.6
210.97246	2.1
215.03406	8.6
217.04959	4.9
221.04482	2.5
223.13383	3.0
227.03384	4.0
229.05052	2.8
231.02742	2.3
233.04515	3.7
241.14462	4.8
243.02895	5.2
245.04384	3.2
253.04927	2.6
268.07068	2.2
273.04010	2.6
279.06625	3.6
281.08087	3.5
283.06058	4.3
291.06644	2.4
292.07364	3.4
293.08099	3.6
294.05222	13.6
295.06036	56.6
296.06760	4.5
297.07617	8.6
305.08014	4.7
306.08899	2.7
307.06012	44.2
308.06784	13.7
309.07538	19.6
313.11942	4.7
317.08231	3.1
319.06027	6.5
320.06808	11.5
321.07605	40.5
322.08417	6.2
323.05750	3.4
323.09238	7.0
325.07077	37.6
325.10577	3.9
329.08145	4.1
333.07584	24.1
334.08395	5.7
335.09192	16.4
336.06177	3.8
337.07092	33.8
339.08728	5.0
345.07635	15.5
347.09229	6.3
349.07071	41.3
349.10812	2.3
351.08664	20.2
359.09183	4.7
361.07034	24.0
362.07678	3.0
362.17648	2.3
363.08694	26.5
367.08102	10.5
373.07034	18.3
373.13937	13.8
375.08630	10.8
379.08130	66.1
387.08609	8.1
389.10144	5.5
391.08163	47.4
393.09662	4.8
397.09268	40.1
399.08621	6.3
403.08267	12.2
405.09778	8.1
409.09180	47.5
415.08258	11.5
417.09470	7.7
421.08997	5.3
427.10315	30.8
433.09155	28.7
445.09802	19.2
451.10187	27.2
463.04279	2.9
463.10281	25.9
469.11313	43.4
481.11362	100.0
499.12402	89.1
517.13403	26.3
535.14331	6.1
535.22858	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	535.145
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01883	8.1
61.02923	3.0
69.03435	2.0
71.21085	2.3
78.46992	1.2
81.03416	1.5
81.07083	2.4
85.02913	3.7
91.05470	1.4
93.03488	1.2
93.70153	1.2
95.04932	2.1
97.02906	1.9
103.05491	1.5
105.07037	2.0
107.04945	2.8
109.02877	1.5
117.93304	1.4
118.46162	1.1
119.04938	9.7
121.02868	42.8
123.08041	1.2
127.04023	1.2
135.04466	1.8
135.24942	1.1
136.78438	1.3
137.05988	1.5
145.02856	5.5
147.04434	2.4
149.09726	1.3
159.04436	2.4
161.06027	1.8
163.03896	2.7
171.04385	1.6
175.03938	2.6
177.01828	2.6
179.03442	2.7
187.03891	3.8
189.01865	7.1
189.05598	1.2
190.02541	1.4
191.03404	5.4
195.02901	4.6
199.03909	2.3
201.05516	1.4
203.03409	19.2
205.04971	2.8
207.02869	6.9
209.15552	1.6
211.03946	1.5
213.05507	1.6
215.03386	9.8
215.51468	1.2
217.05016	5.0
219.02966	2.6
221.04550	3.4
223.13390	1.4
227.03348	2.4
229.04980	3.7
231.02902	1.7
233.04532	2.7
241.04967	2.1
241.14359	2.2
243.02879	5.3
245.04451	2.5
252.09242	1.4
253.04936	2.5
255.02777	1.9
257.04279	1.3
261.03885	2.0
267.06558	1.8
268.07327	4.1
269.04718	1.7
273.03864	2.4
279.06528	5.2
281.04538	1.5
281.07986	2.9
283.06088	6.4
291.06372	2.9
292.07318	2.8
293.08035	3.4
294.05228	13.4
295.06021	58.7
295.09280	2.0
296.06802	4.3
297.04459	1.6
297.07440	6.7
305.08026	4.6
306.08923	3.9
307.06015	45.7
307.09335	1.8
308.06693	13.5
309.04092	2.4
309.07553	17.2
313.07233	1.9
317.08047	4.4
319.06091	6.9
319.09561	1.8
320.06735	8.4
321.07599	53.7
322.04971	1.8
322.08170	7.0
323.05920	1.5
323.09164	6.2
325.07037	42.8
329.08173	4.2
331.05972	2.5
333.07666	31.9
333.11594	2.9
334.08368	5.4
335.05334	2.4
335.09085	18.3
336.06281	5.4
337.07050	42.2
339.08682	4.5
345.07553	18.2
345.11185	0.9
346.08441	2.2
347.09174	7.9
348.06317	2.6
349.07089	49.1
350.07703	2.3
351.08624	19.5
355.08273	3.5
357.07571	1.4
359.09216	5.5
361.07022	29.0
361.11105	2.4
362.07541	2.2
363.08603	26.9
365.10413	1.6
367.08188	12.5
371.09027	2.5
373.07077	19.2
375.08636	16.4
377.10312	2.8
379.08127	69.2
381.09677	1.6
385.08920	1.6
387.08621	8.8
389.10162	4.8
391.08142	52.4
393.09583	4.2
397.09183	35.9
399.08597	4.3
403.08127	14.1
405.09726	13.2
409.09195	52.3
415.08359	11.1
417.09647	8.4
421.09134	6.1
427.10336	34.3
433.09204	29.9
435.10498	1.7
439.10526	1.4
445.09476	22.7
451.10291	31.7
463.04364	1.0
463.10248	23.4
469.11337	63.2
481.11304	100.0
499.12357	94.0
517.13416	36.1
535.14099	17.3
535.21277	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	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.3
55.05494	3.6
58.99464	2.6
60.56651	2.2
61.02919	5.2
61.64402	2.1
62.14912	2.4
65.90241	2.5
66.26349	2.5
67.05501	4.6
68.99773	3.5
69.03429	5.4
69.07063	2.8
69.62691	11.5
73.97114	3.4
75.40143	2.3
81.07048	6.7
83.05017	2.6
85.02905	12.5
85.06528	3.0
91.03984	3.0
91.05462	4.9
93.03413	2.9
93.07087	5.4
95.04960	2.5
95.08599	8.2
97.02899	5.6
98.20821	5.9
98.97580	8.9
105.07079	6.1
107.04976	6.1
107.08601	8.5
109.02892	2.9
109.10155	9.8
119.04935	10.6
119.08575	3.3
121.02874	51.0
121.10142	9.0
123.08084	8.3
123.68002	2.5
125.09647	4.7
129.06929	3.0
133.10124	3.5
135.04381	2.9
135.11711	7.3
145.02821	5.3
158.99658	6.0
163.03865	4.3
165.01942	2.7
167.07031	2.9
171.04369	3.7
175.03813	3.0
177.01892	4.9
177.16388	2.9
179.03360	3.0
179.10643	2.7
185.03897	3.0
189.01839	6.2
190.10289	2.4
191.03419	3.3
193.15874	3.1
195.02898	3.7
203.03471	18.5
205.05020	3.3
207.02905	6.8
207.09697	6.2
207.59712	4.1
209.15405	2.3
211.09679	3.6
211.17038	3.8
215.03424	9.4
217.04993	9.9
219.02751	3.4
221.04436	4.3
227.03474	4.5
233.04491	4.1
241.04840	3.6
243.02837	3.5
257.04483	3.5
267.06583	3.5
273.11652	15.5
273.61929	18.0
279.06689	4.6
283.05969	6.0
292.07315	4.6
293.07785	5.5
294.05338	13.4
295.06027	60.4
295.09338	2.9
296.06799	7.9
297.07529	7.7
301.29669	2.4
305.07953	5.1
306.08844	3.5
307.06030	56.1
307.09476	5.1
308.06705	15.9
309.07590	16.0
313.06863	5.0
317.07996	5.2
319.06012	7.5
320.06870	11.6
321.07565	56.2
322.08347	6.5
323.05606	3.8
323.09177	6.9
325.07043	47.5
329.08148	7.6
333.07596	32.6
334.08215	8.3
335.09106	22.6
336.06219	4.2
337.07071	40.8
337.11002	3.6
345.07590	23.5
347.09177	7.6
349.07025	46.7
350.07507	4.3
351.08670	22.7
355.08179	5.6
359.09048	5.7
361.06955	25.5
361.10733	3.6
363.08597	29.5
367.08020	11.3
370.50784	2.6
373.07004	24.2
375.08743	12.5
377.10590	3.1
379.08145	76.8
386.97720	2.5
387.08716	8.1
389.10229	3.6
391.08133	61.0
393.09537	5.3
397.09213	40.7
399.08655	2.9
403.07919	13.5
405.09680	7.6
409.09210	77.0
415.08499	10.9
417.09680	10.6
421.09402	5.9
427.10260	55.2
433.09201	23.3
445.09665	19.5
451.10361	42.9
463.10361	17.6
469.11325	77.0
481.11346	91.8
499.12396	100.0
517.13464	37.8
535.14380	19.2
546.23444	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	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.2
57.03446	1.7
57.07067	2.4
59.04998	1.5
61.02923	1.0
61.96886	0.9
67.05510	13.5
69.03434	7.4
69.07076	9.9
70.70697	2.2
70.71055	1.3
71.04999	2.7
78.15712	0.9
79.05499	2.0
81.03437	1.1
81.07063	15.2
82.10764	1.0
83.04987	7.9
83.08618	7.7
85.02920	11.4
85.06533	3.3
87.08162	1.0
91.05473	3.1
93.07053	10.7
95.04995	2.4
95.08617	27.5
97.02869	3.3
97.06546	1.2
97.10181	1.8
98.97585	1.5
99.04479	1.1
99.08082	3.8
105.07048	5.8
107.04961	1.2
107.08604	18.0
109.02824	1.7
109.06519	7.9
109.10167	81.4
111.08064	3.4
111.11677	1.1
112.75517	1.1
113.09619	1.7
119.08599	33.5
121.10152	10.0
123.08087	9.9
123.11729	8.0
124.48852	1.0
125.09629	2.4
127.03928	2.8
131.08672	1.4
133.10139	21.8
135.11711	86.3
137.05952	1.7
137.09628	14.0
139.11200	2.3
145.04967	2.3
147.11696	2.1
149.13266	4.8
151.11186	7.3
151.14836	11.3
153.12741	3.5
159.40166	1.0
163.06090	1.1
163.07582	1.1
165.12724	1.4
165.16403	2.9
167.07056	1.3
175.14847	40.2
177.05396	1.1
193.15898	64.3
211.16954	100.0
273.11523	1.0
282.12057	1.8
288.69012	1.2
319.22751	1.6
337.23724	1.9
339.83948	1.1
355.25076	1.5
373.12958	1.6
373.22412	1.4
455.16061	1.0
535.17822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2751
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
52.72566	0.6
53.03941	1.4
55.01865	0.9
55.05494	2.1
57.03440	1.2
57.07066	0.9
61.02919	1.6
67.05512	3.0
68.99786	1.3
69.03422	8.5
69.07054	2.9
71.04980	2.1
71.54770	0.6
73.02924	1.1
79.05482	2.0
80.49251	0.7
81.03400	4.7
81.07058	6.8
83.04980	1.5
83.08588	1.9
85.02902	12.4
85.06535	1.8
87.00835	3.0
87.04481	1.0
91.03936	0.7
91.05477	2.1
93.07045	4.7
95.04955	1.8
95.08610	7.8
97.02890	4.5
97.06507	2.3
97.10153	1.8
99.04446	2.0
105.01831	1.6
105.07037	3.3
107.04946	1.3
107.08585	4.8
109.02870	3.2
109.06514	3.0
109.09460	1.2
109.10154	14.2
111.08079	5.6
111.11656	0.9
113.05976	0.7
115.03922	0.9
119.08588	7.6
121.02873	2.8
121.06478	0.9
121.10133	5.1
123.08073	5.1
123.11741	3.0
125.09635	1.9
127.03918	6.0
128.45322	0.6
131.08527	1.2
133.10123	7.7
135.04399	1.1
135.08009	1.1
135.11693	8.8
137.02386	0.6
137.05978	1.9
137.08652	1.0
137.09621	11.3
139.11176	0.6
143.08551	1.1
145.04990	3.2
147.04404	1.2
147.11703	1.7
149.05946	2.4
149.09605	1.1
149.13321	1.3
151.11212	1.3
151.14842	1.4
153.01819	3.1
159.02858	2.6
161.06003	0.8
161.09607	0.8
163.11217	0.7
165.01860	1.2
165.12727	2.3
165.16409	1.3
167.07043	2.2
175.14828	10.7
176.62486	0.7
185.05945	0.8
193.15877	8.9
205.12294	1.1
206.12558	1.7
211.16927	61.4
231.04875	1.7
241.04895	1.2
287.05490	100.0
288.05869	1.0
301.21606	0.7
319.22659	1.7
337.23563	2.0
373.13214	0.7
386.08160	0.7
442.05008	0.7
535.18457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2753
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	0.9
55.05511	5.3
57.03430	1.1
57.07071	1.6
59.04985	1.6
61.02929	0.9
67.05509	11.0
69.03092	0.7
69.03436	10.2
69.07068	10.1
70.88796	1.3
70.89131	1.4
71.04990	2.6
72.21829	0.8
79.05483	3.1
81.03406	2.8
81.07059	13.0
83.04993	6.6
83.08607	3.9
84.64556	0.7
85.02911	12.5
85.06550	3.5
87.00803	1.0
91.05476	2.3
93.07050	8.0
93.24761	0.7
95.04984	1.9
95.08612	25.4
97.02895	5.7
97.06528	1.6
97.10175	2.3
99.04440	1.6
99.08099	4.7
99.59180	0.7
105.01897	0.9
105.07046	6.0
107.08598	16.1
109.02864	2.5
109.06525	6.8
109.10162	77.8
111.08075	2.8
111.11714	0.9
113.09646	1.0
119.08591	31.7
121.02962	1.6
121.10138	11.2
123.08060	10.5
123.11694	7.1
125.09587	1.5
127.03925	4.7
127.11238	0.7
133.10138	15.0
135.11699	83.2
137.09621	13.8
138.10435	1.0
139.11172	3.0
145.04971	2.3
147.11707	1.4
149.13240	5.7
151.11186	8.5
151.14824	8.5
153.01826	2.1
153.12749	2.6
159.02809	0.8
165.16370	2.2
175.13284	1.5
175.14838	37.7
193.15887	64.2
211.16943	100.0
212.17227	0.8
244.47160	0.7
287.05505	38.6
301.21921	0.8
373.22018	1.3
412.23865	0.7
535.20789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2754
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01866	1.1
55.05510	7.1
57.03437	2.3
57.07074	2.3
59.04974	1.8
61.02917	1.8
67.05509	15.2
69.03426	9.1
69.07067	10.3
69.84761	0.9
69.85089	4.8
71.05001	4.7
72.05733	1.0
73.02921	1.1
79.05482	3.5
81.03403	1.7
81.07059	15.7
83.04977	5.2
83.08632	5.7
84.28764	0.9
85.02909	12.3
85.06543	4.0
91.05467	3.8
93.07044	11.0
95.04939	2.4
95.08612	28.3
97.02916	5.8
97.06510	2.0
97.10179	1.8
98.97592	3.6
99.08079	3.7
103.05447	1.1
105.07029	5.6
107.04942	1.6
107.08595	20.2
109.02917	1.4
109.06508	8.8
109.10159	85.2
111.08062	4.0
113.09628	1.1
115.03887	1.6
117.06947	1.0
119.08586	33.7
121.10142	12.5
123.08070	11.1
123.11697	7.3
125.09635	1.9
127.03927	1.9
127.11176	1.0
131.08583	1.2
133.10132	21.8
135.11694	78.8
137.05994	2.9
137.09628	14.6
138.10413	1.5
139.11197	1.7
145.04942	2.4
145.10089	1.1
147.11674	2.6
149.05891	1.0
149.13292	5.9
151.11176	7.6
151.14832	8.1
153.12735	2.5
161.06009	1.0
161.09619	1.0
165.12703	1.2
165.16385	2.6
167.07100	2.2
175.07494	1.2
175.14830	38.0
177.05438	1.3
193.15880	60.6
201.00867	1.2
207.06683	1.0
211.16937	100.0
232.07030	2.1
237.91991	0.8
273.11859	1.3
281.11432	3.1
281.61542	3.7
282.12030	3.0
301.21570	1.1
319.22708	1.2
337.23599	2.3
355.24738	1.4
373.12759	2.3
373.21899	1.0
535.15460	1.9
535.22430	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	535.2878
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05503	0.5
55.67217	0.2
57.03425	1.0
57.70477	0.2
67.05497	1.0
69.07056	0.3
69.35162	1.1
71.04998	0.2
78.93868	0.1
79.05500	1.1
81.03428	1.6
81.07060	1.1
83.04979	0.5
83.08633	0.6
84.55341	0.2
85.02910	1.8
91.05480	1.6
93.07022	0.8
95.04958	1.0
95.08604	0.5
97.06500	0.2
97.78853	0.2
98.20712	0.3
105.07030	1.0
107.04967	0.2
107.08579	0.2
113.06016	0.2
119.08578	0.9
121.10149	0.5
129.07002	0.4
131.08592	0.4
133.10126	0.6
147.11687	0.6
157.10144	0.6
175.11208	0.7
184.07352	0.3
193.12273	0.7
204.60941	0.2
251.12553	6.2
285.16968	0.7
307.15128	5.2
316.98422	0.2
479.41046	0.2
535.28784	100.0
536.29028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71448	0.5
55.05511	0.7
57.03438	5.3
59.05007	1.1
67.05511	1.2
69.03084	1.0
69.03439	14.3
73.02936	0.8
79.05486	1.1
81.03422	0.6
83.04993	2.7
84.04516	0.6
85.02916	10.7
87.04478	10.1
91.05529	0.5
93.07069	0.9
95.04955	1.1
95.08629	1.4
97.02903	11.9
97.06528	1.2
99.04441	0.6
99.08089	1.1
105.07050	1.0
107.08614	1.2
109.06513	2.8
111.04470	1.6
115.03944	15.5
119.08625	0.9
121.06506	0.8
121.10152	3.6
123.08086	100.0
127.03970	1.5
133.04988	14.1
133.10083	0.6
135.11711	1.0
145.05009	1.4
147.11726	0.8
149.09636	3.4
151.11177	3.2
163.06078	1.0
163.11206	2.1
167.10648	2.4
181.12263	13.3
189.12738	1.2
207.13835	6.1
211.16832	0.5
225.14885	45.0
227.45123	0.5
231.29419	0.5
259.08130	1.3
277.09250	0.9
295.10327	0.8
357.19180	0.8
387.20261	0.8
472.10928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
62.43502	3.2
67.05488	9.8
69.07062	10.9
70.36209	10.8
71.05009	4.1
79.05505	5.4
81.07072	20.5
83.08627	3.9
85.06548	8.1
86.09707	4.4
91.05469	16.4
93.07077	22.2
95.04971	5.3
95.08608	17.1
97.06526	3.4
99.08127	3.5
105.07026	27.1
107.08623	32.1
109.10152	9.2
117.07059	7.0
119.08587	58.4
120.46013	3.4
121.10148	38.9
123.08070	3.7
123.11674	4.7
129.07022	4.7
131.08598	12.4
133.10139	41.8
135.08098	4.3
135.11708	37.2
143.08583	10.3
144.09314	3.8
145.10129	23.7
147.11684	19.6
149.13289	11.0
156.09317	4.3
157.10159	17.2
159.11685	28.8
161.13272	29.9
163.11206	8.1
163.14816	28.1
165.12788	5.0
169.10146	6.0
170.10902	4.8
171.11768	8.2
173.13260	27.3
175.11293	5.7
175.14836	92.2
177.12680	5.6
177.16399	4.6
179.14305	15.3
184.07379	3.5
185.13297	12.6
187.14873	7.0
189.12823	7.2
191.14326	22.2
193.15898	40.2
197.13341	7.2
199.14809	10.4
201.12813	11.7
201.16389	3.8
203.14345	17.9
205.15884	4.4
207.13846	15.2
211.14734	7.8
213.16385	3.8
215.14357	15.0
217.12343	4.5
217.15851	17.0
219.13814	8.1
221.15408	10.7
231.17503	3.9
233.15427	5.4
245.15326	6.4
261.14706	5.5
263.16443	7.4
299.06213	12.7
309.16885	3.6
316.95844	3.5
401.28580	4.7
419.29709	9.6
425.26773	4.4
437.30597	20.2
443.28107	5.5
447.29095	4.0
455.31604	11.7
464.53824	4.6
465.30206	33.5
483.31155	66.9
501.32187	100.0
510.59772	3.3
519.33295	8.3
536.35620	4.3
537.30188	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	537.3041
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
67.05495	0.3
69.82555	0.7
69.82955	0.5
79.05499	0.3
81.07053	0.2
82.57979	0.2
97.02894	0.2
128.42860	0.2
138.51157	0.2
185.04250	0.4
200.28831	0.2
203.05338	0.9
259.08020	0.4
301.20175	1.0
379.85797	0.2
434.43442	0.2
444.06647	0.2
537.30408	100.0
538.30396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33587	0.2
52.14312	0.2
63.53666	0.2
67.05499	0.6
69.07073	0.3
69.53399	1.5
75.51530	0.2
79.05500	0.3
80.63077	0.2
81.07068	0.4
84.72166	0.2
86.89164	0.2
95.08591	0.5
99.08133	0.2
105.06962	0.2
107.08617	0.3
109.10202	0.2
119.08553	0.3
120.98859	0.2
121.10158	0.3
136.36354	0.2
183.92508	0.2
185.04309	0.3
238.81683	0.2
242.90318	0.2
301.20230	0.9
331.51443	0.2
376.55890	0.2
531.61719	0.3
537.30341	100.0
538.31018	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	537.3272
Annotation	glas#24
Peak:m/z	Relative Intensity
50.51847	2.3
53.03936	7.3
55.01868	5.1
55.05509	23.9
56.05837	2.9
57.03418	6.7
57.07080	5.2
59.04986	3.5
61.02918	3.3
65.03934	3.0
67.05499	37.7
69.03435	20.3
69.06714	4.6
69.07066	48.1
70.84184	6.6
71.04985	20.7
79.05492	26.5
81.03403	12.0
81.06591	5.3
81.07057	100.0
81.30924	2.4
82.07372	4.2
82.17270	2.5
83.04985	15.9
83.08613	12.0
84.06354	2.5
85.02902	23.9
85.06541	17.1
87.04465	5.8
91.05474	25.3
93.07047	63.9
95.04966	37.1
95.08608	75.6
97.02905	12.6
97.06540	15.9
97.10171	27.6
98.09634	3.7
98.97589	2.7
99.04447	8.5
99.08080	6.0
103.05497	4.1
105.04572	3.1
105.07031	43.7
107.04948	5.9
107.08595	61.2
109.02880	7.4
109.06529	16.0
109.10159	63.6
110.05042	2.7
110.10485	5.3
111.04475	4.2
111.08083	16.6
111.11697	8.6
113.09708	3.2
115.05402	4.5
117.06998	6.5
119.04961	3.9
119.08577	33.9
121.06506	6.6
121.10138	52.4
123.04430	7.6
123.08066	22.4
123.11695	45.8
124.08386	6.5
125.05981	4.9
125.09613	13.4
127.03912	8.0
127.11157	4.6
131.04858	4.1
131.08559	9.6
133.04938	3.6
133.06453	4.1
133.10126	25.0
135.08041	7.3
135.11673	36.9
136.08414	3.0
137.05984	18.6
137.09602	12.7
137.13260	11.3
139.03917	5.6
139.07622	3.8
139.11168	18.8
141.09148	2.8
141.12709	4.2
143.08597	6.6
143.10654	5.7
145.10107	16.6
147.04401	8.4
147.08055	5.9
147.11691	31.1
147.24863	2.7
149.05995	4.7
149.09604	8.3
149.13252	10.3
151.03906	3.6
151.07552	5.2
151.11183	9.7
153.01817	6.9
153.12762	13.7
155.10651	3.9
157.10150	7.4
157.12245	11.5
159.08139	3.5
159.11708	20.6
161.05986	3.5
161.09575	10.1
161.13306	16.1
163.03952	3.2
163.07507	7.0
163.11200	12.7
163.14764	3.5
165.12744	9.2
167.07030	8.8
167.10748	3.3
169.10085	4.0
169.12210	7.6
171.11655	4.2
171.13788	7.0
173.13283	8.4
175.11247	4.9
175.14867	6.3
177.09154	2.8
177.12772	7.3
179.07045	2.8
179.10641	5.4
181.12276	4.8
183.13760	3.4
187.13289	13.1
187.14790	5.7
189.12686	3.4
191.14278	5.5
193.04811	3.4
193.12128	2.8
193.15874	4.3
197.11728	3.6
201.16409	4.5
205.15863	3.0
207.06480	6.4
207.10043	3.0
207.17407	5.5
208.17854	3.3
209.15303	4.0
213.16438	3.6
221.15462	3.5
225.18605	5.0
226.14471	3.1
231.13742	4.0
235.07469	2.5
253.17880	3.9
257.22662	6.4
260.08331	2.7
275.23700	9.6
285.22104	11.4
291.23126	10.0
293.24765	12.3
303.23157	80.5
304.23520	11.1
309.24390	12.4
321.20663	4.9
321.24219	53.0
322.24496	8.3
339.25314	22.0
340.25595	5.5
357.26389	4.5
358.26910	4.9
375.21362	5.6
383.31503	2.9
478.65817	3.6
537.21942	19.7
537.30109	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	537.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43061	4.5
54.13871	4.2
55.01860	11.2
55.05504	21.5
57.03432	10.6
57.07059	8.6
61.16232	5.1
65.03932	6.6
67.05503	40.2
69.03413	21.4
69.06794	4.9
69.07066	53.8
71.04971	19.5
71.54461	6.4
79.05489	27.1
81.03403	17.2
81.07056	100.0
83.04979	10.2
83.08602	8.6
85.02895	21.3
85.06527	13.4
91.05446	23.7
92.63701	4.6
93.07046	71.6
95.04951	24.6
95.08601	58.3
97.02894	10.3
97.06520	16.2
97.10145	5.8
99.04472	8.1
99.08097	11.4
103.05443	9.1
105.07026	39.8
107.04998	11.5
107.08588	58.9
109.02847	6.6
109.06513	18.5
109.10153	80.9
111.08088	11.6
111.11694	11.1
117.06982	8.9
119.04984	6.4
119.08572	43.0
121.02842	7.7
121.10145	57.5
123.04436	10.4
123.08063	26.9
123.11695	54.9
125.09598	15.6
127.03892	11.2
127.11195	10.7
131.04935	13.8
131.08548	14.9
133.10121	28.3
135.08093	10.7
135.11681	28.1
137.05972	68.1
137.09590	17.5
139.03877	13.7
139.11180	26.0
141.08963	4.7
145.04965	5.6
145.06476	7.9
145.10127	16.3
147.04417	11.1
147.11723	23.0
149.09596	10.0
149.13223	11.8
151.07478	12.5
151.11208	11.2
153.01831	6.2
153.12712	6.0
155.10687	7.2
157.12202	8.4
159.08101	6.1
159.11668	12.5
161.05928	6.8
161.09668	7.9
161.13303	7.2
163.03891	15.0
163.07504	9.6
163.11154	14.3
165.12762	9.2
167.07043	32.1
167.10629	9.2
171.11688	6.8
171.13818	8.3
173.06068	7.3
175.07542	15.9
175.14763	12.0
177.05394	7.2
179.10664	7.3
181.12321	5.6
185.13258	4.5
187.07549	7.1
187.13252	6.4
187.14851	7.0
189.05411	6.1
189.09114	7.2
193.08592	5.7
199.07407	6.1
205.08643	11.5
209.15358	9.5
215.80824	5.1
217.08624	7.3
221.15306	11.1
229.05029	7.6
238.08965	5.1
239.07155	5.6
247.09769	8.4
277.21671	28.5
285.07852	7.0
285.22000	11.9
291.23077	8.2
293.11380	5.4
303.23300	37.9
309.24194	17.8
321.11246	5.4
321.24222	67.7
339.25195	22.5
351.24380	7.7
357.26819	5.3
365.19495	5.9
371.14532	5.6
374.13367	8.9
383.20193	9.1
445.18527	7.9
448.16919	5.5
519.21869	6.6
526.63922	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	537.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
54.70325	1.6
55.01864	2.5
55.05518	17.2
57.03445	11.6
57.07082	35.8
65.03941	2.6
67.05508	47.2
68.58520	1.4
69.07067	14.5
71.04990	1.7
71.08642	25.4
75.82120	1.7
79.05499	53.5
81.03429	6.8
81.07061	45.3
83.04987	11.5
83.08620	14.6
85.06530	2.3
85.10184	13.9
91.05488	45.6
93.06480	3.2
93.07051	49.7
95.04977	12.9
95.08611	31.0
97.06535	3.2
97.10177	7.1
98.20702	2.7
105.04487	2.5
105.07037	34.2
107.04951	4.7
107.08590	12.6
109.06517	2.7
109.10159	13.9
117.07024	5.2
119.08583	21.8
121.10152	3.3
123.08077	3.6
123.11727	2.7
128.06241	3.4
129.06992	10.3
133.10194	7.9
143.08562	7.3
145.10117	8.2
147.07945	1.5
147.11705	30.5
161.09619	2.1
161.13225	9.4
171.11703	24.1
189.12753	10.1
207.13823	29.3
239.23669	3.2
281.17484	58.4
299.06165	1.7
309.57635	1.6
313.27383	72.2
519.40503	100.0
520.41058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01881	2.4
55.05506	1.1
55.17984	0.3
57.03433	5.3
57.07066	0.4
57.72249	0.3
59.04986	0.9
61.02930	2.0
64.57336	0.3
67.05493	1.0
67.24356	0.3
69.03432	7.7
69.07061	1.4
69.86996	1.9
71.01343	1.1
71.05000	2.4
73.02915	5.8
79.05486	0.9
81.03424	1.0
81.07063	2.5
83.04983	1.6
83.08618	1.2
85.02906	12.5
85.06525	1.0
87.04477	1.3
88.54148	0.3
89.06028	1.0
91.03973	0.4
91.05482	1.0
93.07050	2.3
95.04965	0.9
95.08625	3.2
97.02901	7.6
97.06536	1.2
99.04451	0.8
99.08060	0.7
103.03938	0.8
105.07023	3.6
107.08599	7.4
109.02892	0.8
109.06513	1.3
109.10160	6.2
111.08105	1.7
115.03931	3.9
119.08604	2.1
121.06535	0.5
121.10149	42.0
123.08049	1.4
123.11713	2.2
125.09642	3.4
127.03952	3.2
129.09149	0.4
131.08554	2.0
132.06558	0.4
133.04979	4.4
133.10121	5.5
135.08083	1.7
135.11676	3.4
137.09637	4.0
139.11205	2.7
143.10674	0.4
145.04948	3.6
145.10152	0.9
147.11699	5.2
149.09612	1.5
149.13260	4.6
150.07619	0.7
151.11186	6.0
153.09091	1.3
157.04893	0.4
158.10893	1.1
163.05997	1.3
163.14828	4.4
165.12718	0.5
169.12241	2.2
173.13266	8.8
179.40231	0.3
183.66188	0.4
191.14314	22.2
209.15376	14.4
224.07025	1.0
227.16423	100.0
241.07018	0.8
259.08179	0.8
346.51920	0.4
376.11765	0.4
389.21622	0.5
459.64041	0.3
467.75119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
57.03178	0.7
57.03436	6.3
59.05000	1.2
60.04490	0.6
61.02919	0.5
67.05496	1.1
67.96900	0.5
69.03432	18.2
69.07061	1.2
70.09509	0.5
71.01336	0.5
71.04985	2.2
75.04499	0.5
79.05478	0.6
81.07062	1.6
83.04983	1.5
83.08643	0.5
84.07083	0.5
85.02908	10.8
85.06530	0.8
87.04008	0.8
87.04476	11.3
89.06035	1.1
91.05462	0.8
93.07034	1.9
95.08595	3.1
97.02895	16.2
97.06532	1.1
97.10200	0.8
99.04440	0.7
105.07028	3.2
107.08595	6.6
109.06509	0.7
109.10155	5.4
111.08080	1.3
112.42638	0.5
115.03933	19.2
119.08569	2.2
121.06509	0.6
121.10146	32.0
123.08038	0.7
123.11718	2.0
125.09635	2.2
127.03930	1.3
131.08575	1.7
133.04977	13.5
133.10129	4.4
135.08055	1.8
135.11697	2.5
137.09608	3.4
139.11172	2.3
145.04971	1.5
145.10132	1.2
147.11693	2.8
149.09576	0.7
149.13255	4.4
150.07603	1.1
151.11198	6.7
153.09041	0.8
158.10928	1.1
163.14806	3.9
169.12225	2.3
173.13264	7.5
191.14311	19.0
209.15376	10.7
223.06056	0.5
227.16426	100.0
241.07089	0.8
259.08191	1.2
277.09125	0.7
295.10223	1.1
359.20703	0.9
389.21393	0.9
530.85431	0.6
538.30121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05507	1.2
57.03435	6.1
57.07053	0.4
59.04992	1.0
61.02928	1.2
61.42327	0.4
67.05489	1.4
69.03079	0.6
69.03432	7.9
69.03807	0.5
69.07060	1.3
70.82189	0.8
71.01356	0.7
71.04980	1.5
73.02919	5.2
75.04487	0.4
79.05489	0.9
81.03400	0.9
81.07061	1.9
83.04981	2.6
83.08607	1.6
85.02910	12.0
85.06524	0.6
87.04467	1.3
91.05466	0.5
93.07044	2.1
95.04960	1.0
95.08627	2.8
97.02898	7.9
97.06519	1.0
97.10183	0.8
99.04445	0.5
103.03922	0.8
105.07030	1.0
107.08597	9.0
109.02874	0.8
109.06516	1.8
109.09466	0.6
109.10168	8.9
111.08077	1.2
111.15894	0.3
115.03929	5.8
119.08585	1.1
121.06509	0.7
121.10146	9.4
123.08063	2.9
123.11686	1.3
124.08413	0.8
125.09657	2.9
127.03902	3.3
129.09164	0.4
131.08554	1.5
133.04979	5.3
133.10114	3.2
135.08089	2.2
135.11668	2.6
137.06021	0.5
137.09625	5.2
139.07516	0.5
139.11168	0.8
143.10728	0.5
145.04945	3.2
145.10115	0.8
147.11676	1.9
149.09621	1.3
149.13266	6.4
150.07640	0.5
151.09959	0.6
151.11180	9.0
153.09114	1.3
158.10880	0.7
163.06027	1.2
163.14810	8.2
165.12733	1.0
167.14331	1.0
169.12251	3.2
173.11794	0.4
173.13272	7.7
191.14319	28.9
201.20773	0.3
209.15376	18.1
215.00804	0.5
223.06068	0.7
224.06888	0.4
225.14847	0.7
227.16426	100.0
241.06985	0.7
259.08093	0.8
295.10248	0.6
352.97629	0.4
359.20706	0.4
467.12222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05513	2.6
57.03442	3.9
57.07086	0.9
59.05010	1.4
60.04538	0.8
61.02935	0.8
67.05509	2.3
68.40161	0.5
69.03437	13.7
69.03815	0.7
69.07075	5.2
71.05008	1.5
71.08650	0.8
73.02923	1.0
79.05496	1.0
81.03425	1.3
81.07057	7.8
83.04989	0.6
83.08615	4.1
84.76084	0.4
85.02914	10.1
85.06548	14.3
87.04477	8.0
91.05488	0.9
93.06567	0.4
93.07034	2.6
93.37099	0.4
95.05014	0.6
95.08614	16.9
97.02896	9.4
97.06582	0.6
97.10184	1.7
98.97624	0.5
99.08125	1.7
105.07056	1.0
107.08599	4.8
109.02850	0.9
109.10165	12.2
111.08112	0.9
111.11739	3.3
113.09702	0.5
115.03940	9.3
121.10155	9.4
123.04415	0.5
123.11720	4.6
125.09644	0.5
127.03912	1.4
133.04979	9.2
133.10187	0.5
135.08102	0.5
135.11720	5.3
137.06026	0.8
137.13266	8.3
145.04976	1.1
147.04437	0.6
147.11656	0.5
149.09744	0.5
149.13246	2.8
150.07646	1.7
151.14818	3.0
163.14844	3.1
165.16408	6.3
167.14249	0.6
181.12111	0.4
191.17966	12.1
191.19626	0.9
209.19023	77.7
210.19334	0.5
227.20073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.05519	15.6
56.96568	4.5
57.03444	3.3
57.07065	8.6
59.05006	6.1
61.02926	3.5
67.05515	24.4
69.03451	12.2
69.06726	3.1
69.07081	41.7
69.48519	4.2
69.48927	11.2
71.01347	2.1
71.05000	19.3
73.02914	7.6
79.05508	26.1
81.03423	4.0
81.07068	79.1
83.04979	7.8
83.08624	9.2
85.02935	11.4
85.06557	6.7
87.04446	2.8
91.05479	23.5
93.07053	75.0
95.04992	10.6
95.08619	56.2
97.02889	6.5
97.06528	11.2
97.10188	5.6
98.21541	4.2
98.97604	4.1
99.04459	4.0
99.08118	4.2
103.05440	2.5
105.07039	23.0
107.04965	3.2
107.08611	44.6
109.06533	5.8
109.10168	44.6
111.04483	2.1
111.08083	5.6
111.11716	7.0
115.03923	2.7
117.07092	3.0
119.04981	11.3
119.08598	18.6
121.06528	4.8
121.10159	96.8
123.08116	4.1
123.11726	56.2
125.06010	5.7
125.09634	4.6
131.08597	4.9
133.10161	15.1
135.11713	32.9
137.05978	5.7
137.09630	7.8
137.13234	5.3
139.11217	11.9
145.10146	17.3
147.03355	4.3
147.04428	36.7
147.11711	11.5
148.04750	11.0
149.13304	11.2
151.11194	7.3
153.12761	13.2
155.10715	4.0
157.10167	3.2
159.11697	5.5
161.09581	2.6
161.13344	4.6
163.11200	19.2
163.14865	3.8
165.12701	6.5
167.07069	9.3
167.10718	4.4
168.07465	2.9
173.13287	4.7
175.14830	4.6
177.12801	2.6
177.16425	2.8
181.12254	25.1
187.14810	3.6
191.14247	3.3
199.13322	3.0
201.16463	3.3
209.15353	3.9
209.31825	2.3
219.01834	3.2
227.16359	3.2
237.02873	4.6
247.20862	3.4
269.22607	7.9
287.04895	2.4
287.23712	33.8
293.24792	12.9
305.24796	86.5
309.34521	2.2
311.25589	3.2
323.25842	100.0
341.26913	7.2
539.24609	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	539.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01847	2.5
55.05499	5.1
57.03421	1.5
59.04955	1.7
67.05490	7.7
69.03424	5.2
69.07067	8.9
69.32052	4.3
69.32450	13.2
71.04975	4.1
73.02902	5.5
79.05502	9.8
81.03418	4.7
81.07065	18.3
81.79939	1.6
83.04971	3.3
83.08587	2.2
85.02886	7.7
85.06525	6.3
91.05486	19.2
93.07043	16.2
94.04178	4.1
95.04959	7.3
95.08611	13.9
96.19666	1.9
97.02898	3.7
97.06532	3.5
97.10183	3.5
98.20675	3.5
98.97588	2.0
99.04446	3.5
100.46743	1.8
103.05461	5.2
105.07030	13.8
107.04951	5.2
107.08599	14.0
109.02889	1.8
109.06498	5.8
109.10158	8.5
110.42483	1.5
111.08076	3.1
115.05446	3.5
117.06992	5.0
119.04939	9.7
119.08562	8.0
119.37656	2.0
121.06497	8.2
121.10144	10.4
122.03632	6.3
123.04433	2.2
123.08063	6.2
123.11672	6.4
125.05975	1.8
125.09658	4.3
127.03947	2.8
128.06216	2.9
129.06979	8.2
131.04938	4.9
131.08562	5.6
133.06479	3.2
133.10077	8.2
135.04457	3.1
135.08023	6.5
135.11653	5.2
137.05983	100.0
137.09624	3.3
138.06377	1.8
139.03899	5.4
139.07504	2.5
141.09113	3.1
143.04897	2.1
143.08525	2.4
145.06461	4.9
145.10141	5.4
146.03645	2.6
147.04395	10.5
147.08067	3.7
147.11656	2.1
147.43393	1.9
148.04704	2.0
149.05978	5.6
149.09589	5.0
149.13245	5.5
151.03941	3.0
151.07558	47.8
151.11119	2.2
153.01830	5.7
153.05547	1.7
153.09134	1.9
153.12712	2.4
157.06464	4.5
159.08067	4.0
159.11691	2.4
160.05203	2.2
161.05995	33.3
161.09631	10.1
161.13281	1.8
162.06720	2.8
163.07561	12.1
163.11217	2.8
165.07001	4.2
165.09111	5.9
167.07043	9.1
169.06474	1.9
173.09653	3.4
173.13254	2.0
174.06747	4.6
175.07558	28.4
177.05443	2.3
177.06981	2.5
177.09065	9.5
178.07794	2.4
179.07091	2.2
179.08528	2.3
179.10666	2.5
181.05103	2.0
181.12183	1.8
185.04253	2.1
187.07616	2.3
189.09103	19.1
189.12700	2.4
191.10654	2.2
191.14250	2.8
193.06412	2.3
194.07321	5.2
195.10182	20.1
205.06548	2.9
205.08545	3.2
206.07161	2.5
207.08289	2.8
207.10040	8.3
209.15260	2.9
211.07588	3.4
219.08154	3.4
219.10188	3.8
220.08803	2.0
221.05998	5.9
222.06685	4.9
223.07574	2.9
225.09109	3.4
227.16408	4.1
233.05850	2.6
234.06772	2.8
235.07620	3.2
237.09070	8.0
239.07005	3.9
239.10646	3.4
245.09721	2.1
247.07622	2.5
248.08354	2.1
249.09145	6.9
250.06287	2.4
251.06865	2.2
251.10530	2.1
252.07750	2.1
253.08563	7.5
254.09612	2.2
255.10184	2.0
263.10712	2.2
264.07779	2.7
265.08600	20.7
267.10239	4.7
269.07861	2.5
270.08914	3.5
271.09872	2.8
273.10980	7.6
277.08585	9.0
277.12076	2.7
279.10187	6.2
282.08914	3.1
283.09604	5.7
285.11255	11.5
287.12943	2.4
293.08405	2.5
293.11694	2.3
295.09567	3.9
296.10681	4.0
297.11182	30.4
299.12869	5.7
305.24731	7.6
307.09851	2.0
309.11237	9.0
311.09488	3.0
311.12741	19.6
313.11008	3.4
315.12347	9.7
317.13809	3.2
323.12741	12.7
323.25708	5.5
325.14243	2.4
327.12231	4.4
333.13144	13.2
337.14307	19.7
341.13837	2.1
343.15463	4.0
349.14178	3.9
355.15414	37.4
359.21899	2.4
367.15381	16.5
377.12070	56.0
379.15341	2.7
385.16599	2.7
391.17099	3.3
433.16559	2.1
447.18079	2.0
461.19690	4.8
479.20541	6.3
491.20618	3.7
495.18491	2.8
509.21548	6.5
539.17120	45.8
539.25623	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	539.343
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.03955	4.0
55.01860	4.4
55.05511	25.1
56.96559	3.3
57.03425	3.8
57.07072	5.8
59.04979	3.4
65.03960	2.7
67.05508	29.5
69.03417	11.1
69.07074	41.4
70.88121	4.0
71.04979	8.2
79.05502	15.7
81.03397	4.5
81.06586	5.2
81.07058	100.0
82.07361	2.6
83.04963	6.1
83.08579	13.0
85.02901	10.7
85.06553	13.6
91.05488	17.8
93.07045	50.0
95.04961	11.8
95.08606	80.6
97.02892	6.3
97.06520	11.4
97.10172	31.3
98.97588	3.3
99.04447	4.5
99.08082	9.0
105.07037	17.5
107.08592	50.0
109.02895	3.7
109.06520	5.9
109.10162	40.0
110.10510	2.7
111.08083	15.4
111.11705	9.2
117.07036	3.2
119.04943	2.4
119.08598	14.1
121.02858	2.4
121.06530	3.8
121.10144	35.4
123.04382	4.0
123.08052	7.0
123.11716	62.7
125.06062	2.8
125.09612	10.9
127.03867	3.0
127.07542	3.4
127.11153	3.2
131.08551	4.3
133.06482	3.3
133.10121	20.7
135.08070	4.8
135.11725	17.4
137.05960	11.1
137.09596	5.6
137.13269	30.1
139.03934	26.6
139.07489	3.6
139.11150	17.5
141.06955	3.8
141.09175	4.1
141.12701	4.7
143.08546	4.4
143.10672	13.3
145.10094	8.2
145.91362	3.0
147.04402	3.6
147.08141	3.4
147.11679	8.8
149.09589	7.5
149.12190	3.6
149.13280	43.3
151.03850	4.3
151.07603	5.5
151.11139	7.4
153.01839	4.4
153.12744	5.8
155.10660	4.9
155.14255	5.9
157.10127	4.1
157.12221	12.1
159.11687	4.2
159.98364	2.8
161.06036	3.7
161.09648	6.3
161.13223	9.4
163.03947	3.0
163.11189	5.2
163.14845	8.6
165.09090	3.4
165.12650	3.0
167.07018	8.1
169.09851	3.7
169.12216	5.4
173.13161	3.2
175.07466	4.2
175.14810	3.0
177.05504	3.3
177.16425	3.8
179.14305	4.1
181.05003	3.3
181.12222	2.8
185.11742	8.4
187.07481	3.0
187.13327	12.7
187.14764	2.9
203.12799	10.3
207.17458	3.6
209.15549	3.7
219.10152	3.1
235.13098	3.5
235.16959	4.1
237.18468	2.9
245.07892	6.7
249.18462	4.2
277.25369	4.3
287.23734	7.5
293.24686	13.0
305.24750	60.3
306.25006	6.9
311.25757	11.1
317.08429	14.0
322.24094	2.9
323.25851	64.0
324.26120	6.3
329.26788	4.3
341.26782	10.5
342.27081	6.9
357.75354	2.5
359.21872	6.9
359.27914	13.6
377.22839	7.7
539.17334	22.0
539.27838	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3431
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.57115	2.4
53.03951	3.5
55.05515	16.9
57.07061	5.0
67.05505	28.2
68.59338	1.9
69.03423	7.8
69.07072	33.1
69.57004	14.7
71.05000	7.4
73.02904	3.1
75.22134	2.1
79.05495	17.5
81.03439	3.5
81.06583	5.0
81.07062	100.0
83.04990	7.4
83.08611	8.0
85.02908	6.1
85.06552	9.2
91.05483	12.2
93.07053	38.0
95.05000	13.9
95.08609	50.9
97.02869	3.8
97.06548	8.3
97.10187	4.7
98.21476	4.6
99.08079	5.4
105.07054	20.8
107.08598	32.5
109.06525	7.8
109.10166	52.3
111.08090	7.4
111.11717	2.9
117.07032	2.4
119.08577	12.5
121.10161	32.9
123.08062	3.7
123.11713	42.2
125.09625	3.3
127.07574	3.8
131.04933	4.4
131.08604	3.2
133.10136	7.5
135.08092	2.6
135.11702	24.3
137.05960	5.6
137.09578	4.2
137.13274	10.3
138.14908	2.4
139.11191	9.5
141.12656	2.2
145.10143	4.9
147.08041	3.0
147.11720	12.6
149.09586	4.0
149.13284	10.0
151.11192	5.4
153.01828	9.9
153.12788	8.2
157.10127	4.1
157.12280	3.5
159.11707	6.7
161.13254	5.9
163.11156	2.3
163.14812	5.1
165.12819	7.1
167.07027	9.1
167.10695	5.3
169.12288	5.2
171.13834	6.2
173.13295	4.3
175.14780	4.1
177.09085	4.5
177.16415	3.5
183.13861	3.0
187.13269	3.0
187.14833	2.5
193.15991	2.6
199.14793	2.8
213.16452	4.3
269.22742	3.7
277.25290	2.7
287.23697	14.6
293.24771	7.2
305.24710	32.5
311.25876	5.3
323.25751	20.8
331.15268	3.3
341.27081	5.3
569.73932	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	539.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91043	1.9
53.03957	3.3
55.01862	5.1
55.05514	29.5
56.05849	2.3
57.03445	11.6
57.07078	12.2
59.05003	5.7
61.02919	2.4
65.03956	2.7
67.05511	44.9
69.03077	3.1
69.03432	36.2
69.07075	60.4
70.03761	3.2
71.04996	17.1
71.45227	3.5
73.02958	2.3
73.44756	1.9
79.05491	29.0
80.47810	2.0
81.03449	3.3
81.07063	99.9
83.04981	20.4
83.08624	24.2
85.02906	30.6
85.06548	34.3
87.04472	7.8
91.05479	17.7
93.07050	94.6
95.04976	50.0
95.08612	65.9
96.05330	10.7
97.02906	14.0
97.06534	19.1
97.10175	7.9
98.03254	2.3
99.03365	1.8
99.04466	9.0
99.08106	19.7
100.04827	2.6
103.05494	2.6
105.04568	2.4
105.07031	31.0
107.08604	64.7
109.06510	8.9
109.10161	100.0
110.10488	4.8
111.08095	17.6
111.11761	3.3
113.09675	3.3
115.03909	12.5
115.07643	3.1
116.04220	2.1
117.07057	4.4
119.08597	26.8
121.02894	5.4
121.06499	5.3
121.10148	51.5
122.10515	1.9
123.08077	8.5
123.11715	38.4
124.08405	3.1
125.05984	3.3
125.09633	25.1
125.13290	4.2
127.03937	5.7
127.07527	4.3
127.11200	22.3
131.08583	7.1
133.04971	9.9
133.10129	21.3
134.05251	3.0
134.10472	4.7
135.08121	3.1
135.11700	46.5
137.06012	5.0
137.09622	9.8
137.13295	5.6
139.11183	18.3
141.12689	3.5
143.08525	3.4
143.10709	2.1
143.14316	10.2
145.04951	4.0
145.10133	22.9
147.11742	14.6
149.09682	2.9
149.13271	17.4
151.11201	19.2
152.11520	7.5
153.09142	11.0
153.12746	21.2
154.09445	5.5
155.10675	6.7
157.10150	5.0
157.12151	2.2
159.11693	12.7
161.13277	12.6
163.11197	16.2
163.14844	4.1
165.12747	6.7
167.07008	5.3
167.14301	10.4
168.14650	10.2
169.12271	17.7
171.13814	76.0
173.13252	6.9
174.13649	2.2
175.07510	2.8
175.14836	7.0
177.09126	4.6
177.12817	5.5
177.16415	4.4
179.14407	3.9
181.12230	25.4
183.11818	2.8
183.13686	2.8
187.14848	6.1
189.16409	6.0
191.14252	2.8
192.14636	2.4
193.12343	2.7
193.15887	4.8
199.13313	13.8
199.14886	3.9
209.15378	61.1
210.15715	59.8
211.16951	9.3
213.16408	7.1
225.18661	2.2
227.16309	4.8
228.16768	6.7
251.93993	2.2
267.46509	2.1
269.22675	8.0
275.23697	4.5
287.23703	20.7
293.24792	6.6
305.24750	38.4
311.25836	20.0
323.25830	46.8
341.26953	17.2
359.27817	8.7
377.28961	5.4
451.39941	2.0
539.21631	3.4
539.41541	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01875	21.7
55.05514	20.1
57.03436	6.2
57.07077	46.2
57.38135	1.4
64.59768	1.4
67.05505	31.2
69.03441	8.0
69.07076	14.3
71.08634	31.6
71.53629	1.6
71.54047	3.0
73.02921	2.9
74.99366	1.8
79.05498	22.8
79.44370	1.5
81.03419	6.0
81.07059	36.6
82.04191	4.0
83.04990	16.1
83.08627	16.4
85.02914	4.3
85.06551	2.5
85.10178	15.4
91.05476	14.0
93.07038	14.7
95.04961	9.4
95.08606	34.6
97.02894	7.8
97.06511	7.6
97.10175	9.5
98.07310	4.5
105.07060	5.4
107.04986	5.7
107.08577	10.4
109.10157	13.6
111.04435	24.7
111.08092	5.8
116.95087	1.8
117.07050	5.2
119.08569	7.6
121.10129	7.2
123.08054	2.1
123.11728	5.2
125.09623	2.5
127.11189	2.0
129.07016	3.4
130.80864	1.3
131.08569	5.1
133.10152	5.0
135.08032	3.0
135.11732	5.4
136.74321	1.6
137.09703	2.4
139.03824	1.5
145.10156	3.5
148.98590	1.7
156.52931	1.5
157.10197	2.2
163.11229	6.3
171.06488	8.1
175.11249	2.3
181.12253	2.4
185.08173	3.0
191.10727	4.8
199.09605	2.3
200.71356	1.6
209.11728	100.0
227.12775	23.6
239.23705	9.9
255.16017	5.6
283.15393	40.3
283.18512	2.4
297.20636	1.9
311.22321	5.5
313.27341	23.9
367.28583	8.6
381.30115	3.4
395.31732	6.9
409.33157	3.5
438.37399	4.7
468.49643	1.7
493.38953	2.0
521.38440	28.3
539.31830	3.6
539.39587	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
54.83799	0.9
55.01629	1.7
55.01876	26.4
55.05270	1.5
55.05515	19.2
57.03433	4.9
57.07079	44.8
65.03947	1.7
67.05510	30.6
69.03437	10.5
69.07073	15.2
71.04990	1.4
71.08636	30.2
73.02905	3.9
73.89908	0.8
79.05496	18.1
81.03416	4.4
81.07063	28.9
82.04204	6.5
83.04990	9.3
83.08144	1.4
83.08624	17.7
84.05724	1.0
85.02903	1.8
85.06588	1.2
85.10194	17.3
85.12034	0.9
91.05483	13.7
93.07053	11.1
94.07803	1.6
95.04982	10.3
95.08613	34.6
97.02910	2.1
97.06548	8.9
97.10173	10.6
98.07314	6.5
99.08090	1.5
99.11736	1.7
105.07027	7.3
106.83707	0.9
107.04952	2.6
107.08622	4.4
109.06528	2.5
109.10162	15.6
111.04467	2.4
111.08063	5.6
111.11780	1.2
117.07027	1.9
119.08558	4.5
121.06506	1.0
121.10145	4.5
123.08057	5.5
123.11715	5.1
125.09634	4.7
127.11200	4.5
129.07014	3.0
131.08553	2.3
133.10139	5.0
135.08067	1.9
135.11711	2.9
136.08859	0.9
137.09645	1.6
137.13249	3.2
144.24515	0.9
145.10156	1.8
147.11700	3.8
149.09538	1.2
150.10451	1.2
153.09123	1.4
157.10146	2.5
158.05786	4.8
163.11227	2.2
164.12000	2.5
165.12877	1.3
171.06522	9.9
175.11081	1.2
185.08133	3.7
193.12257	1.4
199.09711	2.3
209.11711	2.8
210.12448	1.7
213.11192	2.6
227.12793	6.4
239.23712	10.1
242.15038	1.4
255.15939	8.4
266.15091	1.1
269.17450	1.5
283.15509	2.4
283.18875	1.4
297.20709	2.8
311.22116	6.7
313.27438	7.6
325.23776	1.3
339.25284	1.6
353.26776	1.2
354.27664	3.9
367.24380	1.6
367.28482	16.3
381.30020	6.1
395.31561	12.2
409.33105	2.6
423.34711	2.5
437.36411	2.1
438.37018	11.4
465.36124	1.5
493.38901	2.1
515.74780	1.0
521.38623	1.7
522.38727	1.0
539.39471	100.0
540.53528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03943	2.6
55.01877	30.8
55.05514	22.2
56.02639	0.8
57.03441	5.4
57.07080	55.2
60.04060	0.8
63.61044	0.7
65.03938	1.5
67.05507	34.5
69.03430	10.3
69.06725	1.3
69.07071	18.8
69.93884	3.6
70.04206	1.1
71.01373	1.1
71.04985	3.0
71.08636	35.2
73.02921	3.6
73.06544	0.8
77.03838	0.7
79.05500	20.1
80.06255	0.9
81.03426	6.8
81.07060	37.6
82.04202	8.0
83.04991	13.0
83.08624	19.0
84.02126	0.8
84.05769	1.7
85.02895	1.5
85.06548	2.2
85.10186	19.4
87.04433	0.8
89.06052	1.8
91.05476	16.8
92.06210	0.7
93.07047	13.5
94.07821	2.3
95.04976	8.8
95.08611	37.4
97.02907	2.9
97.06530	9.2
97.10168	12.0
98.07316	9.9
99.08078	1.8
99.11747	1.4
105.04499	1.0
105.07040	7.0
107.04990	3.7
107.08591	6.7
108.05713	0.6
109.06542	2.3
109.10163	20.1
111.04454	3.0
111.08086	5.8
111.11721	2.4
113.05987	0.8
113.13298	0.7
115.03947	1.3
115.05543	1.0
116.04696	2.0
117.07034	2.2
119.08604	6.0
121.06541	1.4
121.10157	3.6
122.07339	1.0
123.08087	5.3
123.11707	7.4
125.09628	5.6
125.13280	0.9
127.11215	5.1
129.05476	1.1
129.07011	2.8
131.08618	3.9
133.10133	4.7
135.08061	1.9
135.11731	2.9
136.08823	1.5
137.09624	1.4
137.13283	2.1
145.10146	2.7
147.11691	5.0
149.09627	2.4
157.10194	3.0
158.05789	4.6
162.39749	0.6
163.11200	2.8
164.11952	1.6
165.12796	1.4
165.16405	0.7
171.06509	12.1
175.11186	2.0
181.12245	0.8
185.08141	3.6
190.04793	0.7
192.11459	1.5
193.12309	2.0
199.09712	3.2
209.11716	7.1
210.12526	1.3
211.13251	1.6
213.11195	3.9
227.12762	7.3
239.23701	9.9
241.14342	1.1
242.15170	1.5
255.15904	8.3
269.17465	2.8
283.15509	2.9
283.19095	2.4
297.20624	2.4
311.18713	1.2
311.22226	6.2
311.25629	1.1
313.27304	8.1
313.30124	0.7
323.29123	0.8
325.23810	1.0
339.25525	2.0
353.26941	1.4
354.27808	3.8
367.28470	20.7
381.30002	5.3
395.31631	11.6
409.33160	3.7
423.34763	2.2
437.36380	1.6
438.37006	11.9
449.89514	0.7
493.39078	1.9
521.38116	3.5
522.39288	1.6
539.39484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65023	2.5
55.01875	9.0
55.05511	23.5
57.03436	19.9
57.06827	4.0
57.07082	50.8
59.04997	2.7
59.93317	3.6
67.05511	25.6
69.07064	12.4
71.04994	5.3
71.08646	28.6
71.35268	4.7
79.05507	22.2
81.03416	8.6
81.07062	35.9
83.01342	6.2
83.04990	13.6
83.08611	16.8
83.94189	2.7
85.02905	8.3
85.10202	17.2
89.06052	4.0
91.05476	15.3
93.07050	27.7
95.04960	7.8
95.08611	22.2
97.06548	6.9
97.10181	6.6
99.04471	3.5
104.55930	3.0
105.07050	8.0
107.04970	7.2
107.08591	17.7
109.06512	6.3
109.10162	12.7
111.04446	8.2
117.07021	6.8
119.08633	6.8
121.06504	3.0
121.10142	6.4
123.08099	5.9
123.11697	3.3
125.09615	3.4
129.84329	3.1
135.11700	12.9
145.10132	19.3
153.12708	4.4
155.08528	4.0
163.11205	33.2
181.12338	3.0
190.71336	2.8
191.10713	7.5
209.11705	14.9
227.12764	14.8
239.23749	5.4
283.15433	87.1
313.27393	100.0
430.24548	2.8
521.38483	55.8
539.32532	6.1
539.40680	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	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01862	6.6
55.05515	20.1
57.03438	14.6
57.07076	45.1
67.05506	38.2
67.66772	2.0
68.33506	2.0
69.03430	2.7
69.07075	15.5
69.20042	19.9
69.20455	4.9
71.05004	4.7
71.08287	2.8
71.08639	32.8
78.75742	1.9
79.05495	32.5
81.03410	3.2
81.07054	34.6
83.04961	6.1
83.08625	20.9
85.10191	18.5
89.06028	2.9
91.05467	13.2
93.07053	33.5
95.04954	3.7
95.08610	55.9
97.06476	4.1
97.10152	9.2
99.04441	4.4
103.07544	2.7
105.07023	8.6
107.04953	5.6
107.08601	25.8
109.10150	17.4
111.04420	4.9
111.11729	3.0
117.07000	9.2
119.08582	10.7
121.06512	6.8
121.10117	15.1
123.11698	2.7
125.09668	4.3
127.80551	2.2
133.10170	4.0
135.11690	44.2
143.08528	3.0
145.10132	23.5
157.10208	3.5
163.11192	58.4
164.82819	2.2
169.23962	2.1
181.12090	12.2
191.10709	2.8
206.41006	2.2
209.11768	7.2
227.12788	100.0
239.23660	4.2
259.20789	2.3
262.47980	2.2
283.15399	57.9
310.74249	2.3
313.27383	98.4
467.37549	3.0
521.38434	73.4
539.39691	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25311	0.6
53.03939	0.8
55.05498	1.2
57.03418	0.8
67.05502	2.6
69.03423	2.2
69.07070	2.9
69.27999	5.2
69.95409	0.6
70.07401	0.9
79.05482	1.4
81.07060	6.2
82.07388	1.3
83.08627	0.7
85.02914	3.3
85.06527	1.3
87.04463	0.8
91.05491	3.2
93.07048	3.8
94.04150	0.7
94.07394	0.8
95.04976	1.7
95.08614	5.1
96.08950	0.8
97.02883	1.8
97.06519	0.9
98.20785	1.3
103.05476	6.6
105.07043	2.9
107.04984	0.8
107.08581	2.6
108.08916	0.8
109.06518	1.2
109.10154	4.3
110.10492	1.0
115.03915	0.7
115.07586	0.9
117.07025	2.0
119.04939	1.9
119.08579	1.7
121.06491	1.3
121.10150	1.7
122.03636	1.3
122.10534	0.7
123.08037	0.8
123.11699	2.5
124.07600	0.8
124.12035	1.2
128.06190	0.9
129.06987	1.0
131.04932	14.9
131.08514	0.7
133.04997	0.6
133.06487	0.8
133.10106	1.4
134.10435	0.7
135.11691	1.8
136.12033	1.1
137.05972	22.5
137.09619	1.5
139.11192	0.8
143.08556	1.2
147.11681	0.9
149.05971	1.9
149.13295	1.2
150.13631	0.6
151.03957	0.7
151.07555	15.7
151.11217	0.8
152.07034	1.8
153.12766	1.4
157.06471	1.3
161.06004	2.9
162.06789	1.8
163.07552	42.9
165.09062	0.9
167.07076	0.7
167.08511	1.2
175.07564	2.7
175.14827	1.2
177.09111	100.0
189.09093	3.6
193.15916	2.6
195.08076	1.8
195.10179	2.6
200.13208	0.6
203.10654	1.2
210.06697	0.5
211.16951	6.9
221.05988	0.7
221.09746	1.2
221.11714	19.5
223.07631	0.9
225.09128	1.5
227.10704	3.9
249.09146	0.6
253.08496	1.4
253.12289	1.7
255.10135	4.8
265.08609	1.0
267.10330	0.8
281.11737	1.3
285.11310	2.1
287.12842	6.5
299.12766	1.3
306.24994	1.9
311.12714	0.9
313.14316	6.1
315.58606	0.7
323.25598	1.1
324.26083	1.7
331.15387	24.9
343.15375	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01872	1.3
55.05509	3.6
56.96583	1.4
57.03437	9.7
61.02913	1.2
65.03944	1.4
65.24395	0.9
67.05508	3.5
68.92101	0.9
69.03435	8.6
69.07070	5.3
71.04996	71.4
71.53586	1.5
73.02915	1.2
74.38995	1.0
75.04482	2.2
75.40600	0.8
79.05507	3.4
81.03429	1.7
81.07059	11.2
83.04987	4.6
83.08626	1.8
85.02909	73.6
87.04480	2.0
91.05481	10.0
93.07036	7.2
93.40753	1.0
95.04971	4.0
95.08609	7.4
97.02898	3.3
97.06538	1.8
98.97598	1.3
99.04472	1.7
100.11279	1.3
103.05473	21.8
105.03391	1.5
105.07048	6.1
107.04951	4.3
107.08602	4.4
107.35369	1.0
109.02851	1.7
109.06543	2.8
109.10144	5.5
110.18767	0.9
111.04459	2.0
115.05509	1.1
119.04963	6.5
119.08620	3.0
121.06486	2.7
121.10131	4.9
123.04429	2.0
123.08083	3.4
123.11684	3.9
124.07649	1.1
127.03954	1.8
129.05489	16.6
129.06960	1.2
130.04199	1.6
131.04932	92.1
133.02832	2.4
133.06483	4.2
133.10133	2.8
135.04352	1.4
135.08072	1.9
135.11703	2.9
137.05997	12.2
137.13289	1.8
138.06799	1.4
139.03877	1.1
145.06494	1.7
147.04433	11.2
147.06523	5.0
147.08086	1.1
147.11742	1.9
149.05997	7.4
149.13290	2.2
150.06763	1.1
151.03992	1.1
151.07558	8.9
151.11189	1.1
152.07013	1.2
153.05463	5.5
153.12759	2.4
155.10777	1.2
159.08008	1.1
161.06006	6.9
161.09634	2.0
162.06746	7.6
163.07547	100.0
163.14784	1.4
165.05502	4.2
167.07019	9.0
167.10632	1.3
173.06082	2.4
175.07617	2.1
175.14752	1.2
177.05469	3.4
177.08977	1.0
179.07033	19.0
181.08618	9.2
181.12167	1.1
185.06058	1.7
187.07501	1.2
189.09106	1.3
191.07074	3.5
193.04948	3.6
193.08627	2.6
193.15971	1.0
195.10168	1.1
197.08105	13.4
199.09726	1.5
203.07036	3.0
205.08669	2.4
207.06589	1.8
209.08134	2.3
211.16862	2.1
217.08646	1.9
219.06641	1.9
221.08066	7.5
223.09689	3.3
229.17947	1.4
233.08231	1.6
239.09158	5.2
245.08055	1.8
246.08528	1.1
247.09708	1.5
259.09848	1.2
261.11371	1.4
263.09167	6.6
271.10034	1.3
277.10883	1.3
279.12286	1.8
289.10675	5.2
289.25351	2.4
291.61707	0.9
307.11844	8.4
307.26245	2.9
315.12421	1.5
325.12845	10.4
325.27396	2.3
327.12177	10.3
329.85367	1.1
341.13858	1.3
347.14694	1.1
353.14014	1.1
359.15030	5.1
371.15103	2.3
377.15967	7.3
389.15906	1.8
401.15784	1.1
413.15872	2.9
434.41513	1.1
457.18076	1.2
469.18585	5.5
487.19708	1.9
540.17346	3.0
540.28644	4.0
544.91254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01849	0.8
55.05520	4.1
57.03447	5.4
57.07077	1.7
59.04995	2.3
61.02922	0.9
66.34863	0.7
67.05516	4.5
69.03440	15.7
69.07078	10.1
71.05009	6.1
71.33575	0.7
71.54144	1.2
72.13309	0.7
73.02917	0.8
79.05491	4.5
81.03432	1.3
81.07071	13.4
83.04996	1.8
83.08630	5.5
85.02921	13.0
85.06548	2.8
87.04478	13.7
91.05490	3.8
93.07060	9.5
93.82449	0.8
94.70906	1.0
95.04966	2.6
95.08621	20.7
95.48257	0.9
97.02907	14.4
97.06548	8.3
98.97564	1.1
99.04491	4.7
101.66608	0.8
103.03961	0.9
105.07039	5.4
107.04918	0.9
107.08615	14.6
109.02908	1.6
109.06548	5.9
109.10173	25.7
111.08117	1.9
111.11751	2.3
113.06020	0.8
115.03165	1.3
115.03951	18.1
115.05460	0.7
115.07601	5.7
119.08596	14.6
120.08131	1.4
121.10157	6.9
123.08104	3.2
123.11721	11.9
125.09594	1.8
127.03922	2.4
127.11209	4.0
133.04977	16.3
133.10152	29.7
135.11720	24.8
137.05995	4.0
137.09628	6.0
138.06317	1.5
141.09137	0.9
145.04984	1.5
147.04456	1.5
147.11700	2.4
149.13300	6.0
150.07628	1.0
151.07539	1.0
151.11174	1.4
151.14818	1.4
153.01950	0.8
153.12766	3.0
155.10724	1.4
163.07539	1.0
165.12732	1.7
167.07042	2.2
175.14856	39.5
177.09079	1.1
177.16417	5.2
181.51558	0.9
193.15913	57.9
209.15366	1.0
211.16962	100.0
212.17175	0.9
241.06964	1.1
259.08246	1.5
270.40485	0.8
295.10315	3.0
355.21075	1.4
378.13211	1.1
379.80884	0.8
540.16644	1.1
540.24689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
53.79712	1.3
55.05523	6.6
57.03444	6.8
57.07067	2.1
59.05007	3.3
67.05518	8.0
69.03437	20.3
69.07070	14.6
70.34978	1.2
70.64537	2.5
71.04995	7.8
73.02920	2.7
79.05484	5.3
81.03407	1.9
81.07070	19.0
82.07394	3.8
83.04965	1.6
83.08613	6.7
85.02917	20.6
85.06548	5.1
85.23260	1.1
85.25314	1.2
87.04465	10.4
91.05459	6.3
93.07056	15.8
94.07401	1.3
95.04971	6.9
95.08617	22.1
96.08936	1.8
97.02911	15.5
97.06548	9.3
97.97775	1.1
98.97574	4.3
99.04467	5.9
99.08096	11.0
105.07031	9.7
107.08611	19.5
109.06521	6.1
109.09473	1.9
109.10168	28.0
111.04480	1.4
111.08106	2.7
111.11761	2.0
115.03936	13.2
115.05507	1.2
115.07573	8.0
117.07009	1.3
119.08604	14.1
121.02892	10.3
121.10174	10.6
122.03214	3.4
122.10426	1.6
123.08047	4.0
123.11724	11.6
125.09624	2.8
126.93411	1.2
127.03926	3.4
127.11192	2.8
127.45278	1.2
133.04971	14.2
133.06497	1.9
133.10133	28.1
135.11708	26.0
136.12042	1.5
137.05977	6.6
137.09612	7.8
139.03955	1.9
141.09003	1.9
141.12746	1.5
145.04939	2.1
147.04396	2.5
147.11720	3.1
149.05992	2.3
149.13275	6.7
151.07553	2.7
151.11209	1.5
151.14828	2.5
153.12772	3.4
155.10689	4.7
159.11707	2.2
160.12338	1.4
161.05998	3.5
163.11237	1.5
165.16469	1.3
167.07050	4.5
167.14349	6.0
175.07515	2.3
175.13293	2.5
175.14848	44.9
177.16389	6.0
179.10587	1.7
181.08604	1.5
189.09102	3.2
193.15898	54.9
196.22693	1.3
207.10100	1.4
211.16954	100.0
217.55757	1.4
229.17975	2.9
237.03032	1.5
259.07950	1.8
279.04037	1.4
284.08340	1.4
287.11301	1.6
289.14951	1.7
294.24960	1.6
295.10144	2.4
296.11899	1.9
306.25360	1.8
324.26077	4.2
325.20084	3.0
331.15320	4.0
342.18079	1.3
343.21088	1.4
347.14944	6.8
356.09833	1.2
474.73718	1.3
540.24487	3.6
545.22607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66961	0.9
55.01848	1.2
55.05505	4.0
57.03429	3.6
57.07058	1.6
59.04986	1.5
60.55761	0.9
66.71043	1.0
67.05492	6.5
69.03423	9.6
69.07064	6.7
71.04995	3.6
71.54648	1.2
73.02909	4.0
79.05472	2.8
81.07061	11.1
82.07346	1.3
83.04971	2.8
83.08141	0.9
83.08614	4.5
85.02899	10.0
85.06541	5.4
87.04456	3.5
87.15517	1.2
91.05479	3.1
93.07031	10.8
94.07360	2.0
95.04970	3.3
95.07993	1.6
95.08606	31.9
95.09201	1.2
96.08981	1.2
97.02892	6.6
97.06543	2.2
97.10157	1.0
99.04441	2.7
99.08089	7.5
99.95464	1.0
100.08392	1.0
105.07014	3.5
107.08578	11.3
109.06485	1.9
109.10150	15.3
110.10493	2.0
111.08084	1.6
111.86940	1.0
115.03907	6.7
115.07562	1.7
119.08587	5.3
121.10131	7.8
123.08069	1.7
123.11710	4.5
125.09634	3.6
127.03952	1.5
127.11143	1.3
133.04964	5.7
133.10150	5.4
135.11694	8.6
136.11990	1.1
137.09601	4.1
137.13280	2.1
139.11197	3.4
145.04852	1.7
147.04388	2.5
149.13264	7.6
151.11171	1.5
153.12753	1.3
155.10599	1.9
163.14795	5.5
165.16544	1.2
167.14320	13.3
171.13820	1.8
172.14177	3.0
175.14848	10.4
181.12196	1.2
181.15857	6.2
189.09091	1.1
193.15855	18.2
199.16876	1.1
208.36938	1.3
209.15410	3.4
210.15764	1.2
211.16931	100.0
212.17250	1.2
212.75934	1.2
219.10208	1.1
229.17972	34.0
229.20186	1.9
295.10333	1.4
297.96567	1.2
306.25000	2.1
324.26117	2.4
373.22122	4.2
467.53571	1.3
505.26169	2.7
541.21930	3.9
557.61176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05523	18.1
56.14943	2.9
57.03432	7.5
57.07072	9.6
59.05020	3.6
62.07403	2.9
63.44537	2.7
65.03963	3.9
67.05510	21.0
69.03456	15.4
69.06728	4.5
69.07074	57.6
69.73234	3.1
71.04990	9.1
71.54361	3.1
71.81582	2.7
79.05518	19.8
81.03415	6.5
81.07065	100.0
82.52686	3.1
83.04982	9.7
83.08620	10.4
85.02916	34.8
85.06554	9.5
87.00835	4.5
87.04466	3.0
88.02280	2.8
91.05499	17.0
93.06561	4.0
93.07061	46.5
95.04979	11.3
95.08614	64.4
97.02885	12.4
97.06551	5.5
97.10146	6.2
98.97590	4.1
99.04441	6.0
99.08102	9.3
104.54819	2.9
105.07037	18.9
107.04983	30.9
107.08595	30.2
107.43941	3.2
109.02888	8.5
109.06509	8.8
109.10166	41.8
110.37535	2.7
111.04433	4.0
111.08080	8.9
111.11729	15.4
113.09601	3.5
117.07042	3.4
119.04939	4.3
119.08614	18.2
121.02901	3.6
121.10155	30.8
122.10497	4.2
123.08088	10.3
123.11713	39.5
125.09646	3.5
127.03917	12.3
127.11157	5.3
131.05017	2.9
131.08524	5.7
133.10130	11.5
135.11705	24.3
137.05980	13.1
137.13284	21.7
139.11203	8.1
141.12726	3.5
145.05003	8.2
145.10168	6.9
147.04419	4.6
147.11687	11.9
149.13254	12.7
151.07526	12.6
153.12761	12.0
155.14366	3.6
159.02818	4.5
159.11632	7.3
161.06009	4.1
161.09660	5.8
161.13261	5.6
165.12775	7.5
167.07031	6.1
173.13261	5.4
175.14862	3.6
177.16438	3.3
178.05054	5.3
181.12297	6.8
198.31566	3.4
201.16470	3.2
203.19836	3.0
209.19080	3.7
211.14902	3.8
211.16933	10.5
215.18254	3.3
229.17944	6.8
231.05066	4.1
253.55833	3.0
271.24243	5.6
277.25360	8.5
281.14999	3.4
289.25317	17.7
295.26346	21.7
299.12695	4.1
307.26358	55.4
313.27414	4.3
325.27295	24.3
343.28519	5.3
493.19785	5.9
540.28131	14.0
541.22687	14.8
541.29681	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	541.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05895	0.9
53.03938	1.4
55.01858	1.6
55.05515	1.7
56.53888	0.9
57.03431	2.0
59.05006	1.0
61.02932	1.8
66.02333	1.0
66.55891	1.1
67.05495	3.0
68.99757	1.1
69.03426	10.4
69.07064	2.1
71.04991	1.8
71.53807	1.6
73.02929	1.9
81.03422	4.7
81.07039	1.6
83.08640	1.6
85.02912	16.3
87.04467	2.9
91.05475	3.3
93.07032	3.6
93.16281	1.1
94.06575	1.4
95.04973	8.6
95.08600	2.4
96.03979	1.1
96.04499	7.1
97.02885	7.0
97.06506	1.3
99.04455	1.7
99.08103	9.8
105.07019	1.8
107.08633	1.8
108.08157	2.7
109.06532	1.0
109.10172	4.7
111.08096	4.2
113.06035	2.0
115.03954	3.5
119.08573	1.5
120.04475	4.9
122.02460	1.5
122.06049	4.8
123.04397	2.3
124.03939	1.0
124.07616	1.3
127.03912	3.3
133.04984	2.0
133.10118	2.4
134.06013	1.1
134.09644	2.7
135.11745	3.1
136.03964	2.1
136.07591	4.3
137.05984	3.5
137.09587	5.7
138.01881	3.8
138.05530	2.5
138.09122	3.2
140.07072	6.0
145.04996	1.6
147.04498	1.5
152.10715	1.5
153.01848	4.0
154.08667	2.1
155.10732	3.8
162.05536	1.7
162.09129	13.1
163.07581	1.4
164.03409	5.1
164.07037	1.1
172.06047	8.3
175.14833	1.7
180.10197	14.1
187.93025	1.2
190.04996	2.7
190.08606	6.2
192.10287	1.2
193.15875	6.3
196.06094	5.5
206.04495	3.4
208.09692	47.8
210.09422	1.4
210.11263	2.5
211.16943	25.9
219.10234	1.6
224.05606	2.9
229.18010	6.8
237.02831	1.4
239.08136	1.7
240.08849	1.5
243.11195	1.7
255.11208	2.2
259.10727	1.4
265.09793	2.4
266.10596	1.5
267.11261	5.6
269.09335	1.5
273.12314	1.4
275.17679	1.1
281.09232	1.1
283.10831	3.7
293.09232	3.1
298.10788	1.5
301.11783	3.2
311.10349	4.2
312.08789	3.1
313.11996	1.4
316.12018	1.1
323.09998	1.5
325.12036	4.1
329.11356	4.6
330.09827	3.1
334.13174	1.5
343.12860	17.9
344.11432	5.6
347.12375	6.6
361.13971	16.9
362.12396	2.9
370.14972	1.2
379.15012	100.0
385.14136	1.8
427.15042	1.6
433.15887	1.4
487.17194	2.2
505.18195	2.4
523.19415	8.7
541.20380	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.226
Annotation	Erizomycin
Peak:m/z	Relative Intensity
50.90140	0.2
55.05506	0.5
57.32357	0.2
65.47747	0.2
67.05497	0.7
69.03435	0.6
69.07067	0.9
70.87801	0.2
70.88118	0.5
71.04997	0.3
79.05496	0.5
81.07073	2.4
85.02911	0.6
85.06553	1.4
91.05506	0.3
93.07056	1.1
95.04969	0.2
95.08633	1.5
97.02918	0.2
97.06516	0.2
99.08105	0.4
105.07049	0.7
107.08604	1.4
109.10170	1.6
111.08073	0.6
119.08596	0.5
121.10184	1.1
123.08144	0.3
123.11730	1.4
125.09647	1.1
127.03925	0.3
133.10179	0.3
135.11705	0.7
137.06036	0.5
137.13298	0.3
139.11226	0.5
147.11688	0.5
149.13315	0.4
151.11189	0.2
153.12778	0.4
159.11702	0.4
165.12721	0.4
168.22392	0.2
168.76831	0.2
169.12360	0.3
171.13824	1.9
189.16396	0.3
239.20226	0.2
289.25339	0.3
298.26465	0.3
307.26199	1.5
325.27307	0.5
343.28445	0.7
361.29535	0.4
409.18335	2.4
472.85220	0.2
499.57620	0.2
541.22638	100.0
542.22986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81981	0.9
55.05517	4.8
55.18491	0.8
57.03432	2.1
59.05000	1.1
67.05503	6.2
69.03431	12.3
69.07059	3.2
71.04990	2.9
71.53671	1.3
79.05495	1.9
81.03432	1.9
81.07057	5.0
83.04970	2.2
83.08620	2.5
85.02911	8.8
85.06532	2.4
87.04474	6.0
91.05483	1.2
93.07037	7.3
95.04975	30.2
95.08606	9.1
97.02895	10.0
97.06496	1.1
98.97596	2.6
99.04446	3.2
99.08098	39.2
105.07018	1.7
107.08589	6.0
109.10161	18.3
111.08099	1.3
113.09676	1.1
115.03935	7.3
119.08586	3.8
120.00094	0.9
121.10136	3.6
122.05954	1.1
123.04440	1.0
123.11707	1.5
124.74607	0.8
125.09608	1.1
127.03907	1.9
127.11205	0.9
133.04985	7.0
133.10155	8.1
135.11696	11.9
137.05981	1.6
137.09628	16.6
139.11108	0.9
145.04947	2.0
149.13252	1.7
150.05527	0.9
151.11218	1.2
151.14720	1.0
153.01865	2.2
153.12718	1.9
155.10680	16.5
175.14836	7.5
178.05031	0.9
178.27541	0.9
180.10211	1.4
190.09557	0.9
192.06566	1.2
193.15895	23.2
208.09767	1.2
211.16940	100.0
212.17235	1.2
219.10237	1.8
220.10382	1.6
229.17992	26.5
230.26825	1.2
235.07487	0.9
241.09741	1.6
255.11247	1.9
297.12289	1.2
329.11206	1.1
343.12646	1.5
361.13858	2.4
367.13068	1.2
373.22235	1.7
379.15012	5.8
385.14014	1.3
427.15289	1.4
433.15607	1.2
445.15845	1.4
469.16495	1.2
487.16608	2.5
523.19263	5.8
541.20557	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	541.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12783	1.2
53.03942	2.5
55.01871	3.3
55.05518	17.3
56.96944	1.2
57.03437	3.6
57.07105	1.2
59.04998	1.1
63.94278	1.4
65.03933	1.5
67.05177	1.5
67.05512	20.9
69.03433	2.4
69.07060	8.2
71.04991	2.1
71.53394	2.1
79.05495	16.4
81.03433	5.9
81.07065	19.4
83.04980	4.3
83.08639	7.8
91.05493	18.7
93.07045	10.9
95.04977	4.4
95.08619	12.2
97.06538	2.7
97.10180	9.7
105.07050	12.7
107.04967	3.4
107.08611	10.2
109.06554	1.4
109.10170	6.5
111.08128	2.1
115.05460	1.3
117.07030	9.4
119.08601	13.4
121.06507	2.3
121.10162	3.6
123.08099	1.2
125.09653	9.8
128.06255	3.2
129.07013	11.9
131.08551	14.4
133.06500	2.0
133.10150	7.1
135.08095	2.0
135.11717	2.4
136.31348	1.1
141.07025	4.1
142.07817	3.2
143.08549	11.2
144.57295	1.1
145.06505	2.2
145.10150	9.1
147.11751	3.1
149.09650	1.3
150.56892	1.3
153.12737	1.2
154.07753	1.6
155.08583	9.3
157.06458	1.4
157.10170	10.7
159.08118	1.6
159.11717	4.9
161.09706	2.1
161.13293	2.4
163.11172	2.1
165.07050	1.7
167.08609	3.3
169.10175	9.7
171.08028	2.1
171.11665	8.4
173.09746	2.1
173.13347	1.9
175.11247	1.5
179.08589	2.3
179.58734	1.1
181.10240	5.6
181.12149	1.0
183.11774	5.0
185.09613	2.6
185.13321	4.3
189.11292	5.0
192.85704	1.1
193.10185	2.1
195.07994	1.7
195.11714	4.4
197.13321	3.9
199.14876	2.3
201.12694	1.7
207.11752	1.7
209.13284	3.4
211.11368	1.9
211.14946	2.6
213.12665	1.6
213.16460	1.4
219.11714	1.8
221.13322	1.6
223.14883	1.9
227.12685	5.5
275.20197	2.2
279.21210	1.2
295.20602	1.3
297.19095	1.4
297.22092	6.4
337.21658	1.6
413.28339	1.6
421.31461	1.6
431.29642	6.3
449.30624	9.9
467.31741	3.5
485.33063	2.6
505.33194	2.3
523.34418	11.8
541.35370	100.0
542.36078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01857	3.2
55.05507	14.3
57.03434	3.9
57.07074	8.9
58.95845	1.4
59.05013	1.6
59.45087	1.9
61.02901	1.6
67.05502	29.7
69.03428	13.6
69.07069	47.0
70.98820	4.2
71.05003	7.5
73.06555	2.7
79.05493	16.8
81.07059	83.4
83.04969	4.1
83.08628	15.7
85.02908	13.3
85.06545	30.6
91.05459	9.9
93.06467	3.3
93.07042	42.5
95.04978	2.5
95.08608	52.3
97.02887	5.4
97.06546	11.2
97.10184	3.2
98.97563	3.9
99.08087	13.6
105.06383	2.3
105.07034	25.2
107.08601	45.2
109.06521	4.6
109.10156	64.9
111.08074	18.2
111.11691	3.0
113.09623	3.0
119.08573	21.0
120.19958	1.7
121.10143	29.8
123.08066	1.9
123.11713	41.6
125.09641	28.2
125.13279	2.9
127.03942	1.9
127.11197	17.9
127.99311	1.5
131.08624	2.5
133.10126	6.3
134.34541	1.7
135.11690	29.8
137.06004	3.2
137.13240	12.6
139.11174	17.1
143.14389	2.6
145.10120	4.5
147.11691	19.5
149.13254	11.9
149.49487	1.6
151.07579	3.0
151.11201	5.7
152.07877	2.4
153.12746	17.9
158.99774	1.9
159.11682	4.3
161.13257	6.4
162.65472	1.4
163.14804	12.0
165.12752	27.9
169.12231	11.8
171.13803	100.0
171.36617	1.6
173.13290	3.7
175.14865	2.0
177.16318	3.9
179.14410	2.3
183.13786	12.7
185.03952	2.9
189.09157	3.5
189.16389	3.0
190.09622	2.1
191.17848	2.8
193.16003	1.8
201.14851	5.1
201.16461	2.4
203.17990	2.0
211.07388	1.8
215.18042	2.8
219.10118	4.9
219.17398	2.4
220.10495	5.3
221.19113	2.3
237.18599	2.5
239.20007	3.9
255.19490	1.8
271.24185	5.9
273.11725	6.7
277.25305	6.6
288.13107	1.9
289.25235	19.0
295.26318	12.3
307.26318	49.4
313.27396	20.1
325.27347	21.0
331.15524	3.9
332.15860	7.5
343.28381	34.8
361.29431	15.5
407.26550	1.8
409.18484	2.1
454.34943	2.3
541.22510	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	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.9
53.03946	7.7
55.01861	2.6
55.05512	18.7
56.01161	0.6
57.03431	2.1
57.07074	8.2
59.05009	0.9
64.04140	0.6
64.04490	0.6
65.03944	3.7
67.05505	62.8
69.03425	2.1
69.06721	1.0
69.07067	14.7
70.06601	3.6
71.04976	2.4
71.08637	3.5
72.08961	0.6
75.09570	0.6
77.03928	1.0
79.05493	76.6
81.03419	6.9
81.07056	50.0
81.07436	0.6
83.04979	8.5
83.08606	8.0
85.06538	2.0
85.10177	1.8
86.15746	0.7
88.07629	5.2
89.06028	0.7
89.07992	1.0
89.48778	0.7
91.05480	52.7
93.07042	68.2
95.04965	17.1
95.08605	34.6
97.02894	0.8
97.06537	4.5
97.10172	3.7
97.42900	0.6
102.09179	4.3
103.05501	1.5
105.04516	2.7
105.07030	36.1
107.04961	4.4
107.08595	25.5
107.09164	0.5
109.06520	4.9
109.10155	8.9
111.08053	2.5
115.05460	1.4
116.82085	0.6
117.07031	9.7
119.08576	21.5
121.06490	2.3
121.09311	1.3
121.10146	17.4
121.11031	0.9
123.08082	3.6
123.11716	2.3
125.09635	0.7
127.07590	0.9
128.06213	1.8
129.07007	12.0
130.07726	0.8
131.08568	9.4
133.10138	11.2
135.11694	9.1
137.13374	0.7
141.06975	1.1
143.08565	6.3
143.12288	0.6
145.10121	11.6
147.08034	1.2
147.11685	25.2
149.13275	3.3
155.08591	1.5
156.09396	0.9
157.10152	2.3
159.11656	3.9
161.09668	3.2
161.13264	10.9
163.14893	1.5
169.10092	2.0
169.43039	0.7
171.11674	19.2
173.13286	2.5
175.14742	1.1
179.14343	1.2
181.10164	0.8
183.11703	1.7
185.13289	1.7
187.14804	1.4
189.12726	8.5
194.30286	0.6
195.11562	0.8
197.13193	1.0
207.13809	24.2
225.14882	2.3
243.21307	1.0
256.26331	10.0
257.26743	6.7
261.22064	3.2
281.17590	1.9
283.26379	2.3
284.26694	1.7
284.29636	1.9
285.17090	0.7
285.29944	1.5
311.29468	7.3
312.29742	7.1
312.84125	0.7
317.24603	1.7
449.33981	1.7
485.36169	0.9
523.38031	1.4
540.53473	7.5
541.38965	100.0
541.53461	33.4
542.38904	1.2
561.14093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01868	1.3
58.30170	0.5
69.03431	0.7
69.38235	4.0
75.04498	0.8
78.04724	0.7
79.05486	4.7
85.02908	1.8
90.04695	0.7
91.05486	7.4
93.03400	2.3
93.07053	2.1
94.04224	0.8
95.04965	1.7
95.08553	0.7
97.06522	1.2
103.05474	7.1
104.06239	0.7
105.07040	19.9
106.04195	5.2
107.04983	4.1
108.05762	0.8
109.06506	2.2
115.05484	0.9
118.04164	5.6
119.04963	3.7
120.05702	1.0
121.06516	8.6
122.03637	1.7
122.07300	1.0
123.04438	1.2
123.08071	2.5
124.05192	1.6
125.06016	2.1
127.08791	0.6
131.04950	4.4
132.05664	1.0
133.06499	21.1
134.03615	0.8
134.07219	0.8
135.04420	2.5
135.08052	4.9
137.05989	32.5
139.07515	1.0
143.08636	0.7
145.06485	1.1
146.03613	1.2
147.04341	1.2
148.05196	1.8
149.05997	11.5
150.06776	11.4
151.07550	6.0
153.09088	3.2
161.05986	3.0
162.01260	1.2
163.03926	2.1
163.07552	9.9
165.09117	13.5
167.07059	11.6
171.08031	0.7
175.07591	0.7
177.05492	6.6
177.09105	2.8
178.06285	1.3
179.07051	1.8
179.10655	0.6
181.08603	5.2
189.09096	0.6
191.07054	1.9
192.07872	0.7
193.08620	58.5
194.08987	0.6
195.06453	0.6
197.11755	1.0
203.10629	1.1
209.08109	39.4
210.08553	0.8
211.09669	100.0
221.11681	0.9
223.04256	6.9
295.13293	4.7
320.62885	0.8
327.15903	7.7
345.17014	1.0
403.17618	1.5
416.20969	0.7
420.25128	0.6
542.22650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
53.03954	0.5
56.96576	0.3
57.03429	0.4
61.02928	0.3
66.82158	0.2
69.03427	0.5
69.90559	1.3
71.04992	0.2
71.53655	0.3
73.02931	0.3
77.03940	0.3
79.05497	1.0
81.03423	0.7
85.02898	1.9
91.05489	1.1
91.79570	0.2
93.07033	1.3
97.02897	1.0
98.97590	0.9
103.05474	6.9
107.04954	2.1
109.02877	0.5
110.97574	0.3
116.98615	0.6
119.04976	1.4
120.08109	100.0
121.06513	0.4
127.03919	0.5
131.04921	2.7
135.04425	0.8
137.05974	1.3
143.07265	0.3
145.04932	0.5
146.99539	0.3
147.04395	2.5
148.06180	0.3
149.06010	2.2
153.01848	0.5
165.05502	0.3
166.08647	54.2
166.40744	0.3
167.07101	1.4
167.09013	0.4
179.07025	3.7
193.04497	0.4
219.01805	0.4
228.01944	0.3
237.02779	0.7
240.78397	0.3
268.24759	0.3
303.01151	0.4
348.09698	0.6
372.10577	0.7
542.18042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38306	1.9
55.01856	3.6
55.05501	7.4
56.96575	2.9
57.03427	8.0
57.07051	2.2
61.02913	2.3
61.51844	1.8
67.05492	9.5
69.03441	11.2
69.07069	7.2
70.98177	4.9
71.01339	2.2
71.04655	3.2
71.05000	45.6
73.02915	3.7
75.04473	4.8
75.21270	2.2
79.05479	3.5
81.07056	18.4
82.07396	2.9
83.04977	9.7
83.08585	2.2
85.02906	70.3
85.06534	3.5
87.04452	4.6
90.25162	2.1
91.05479	12.6
93.07030	7.3
95.04994	10.4
95.08616	10.0
96.08935	3.0
97.02885	2.8
97.06517	3.8
98.97595	3.5
99.08028	1.9
103.05461	11.3
105.07042	14.1
107.04939	7.4
107.08580	5.3
108.08887	3.1
109.06488	2.6
109.10162	12.4
111.04435	13.0
111.08032	2.9
113.05984	4.9
115.05431	4.0
117.07034	3.5
119.04942	11.4
121.06470	7.5
121.10147	2.4
122.03648	4.1
122.10497	2.2
123.11678	8.8
124.12048	5.2
127.03802	2.3
129.05484	16.4
129.06975	7.5
131.04947	24.4
133.02876	3.3
133.06493	15.2
135.04320	3.1
135.08017	2.8
135.11743	3.3
137.05980	100.0
141.06937	2.9
143.04962	4.4
145.06509	10.5
147.04428	17.7
147.06520	4.5
149.05972	27.1
149.13251	4.0
151.07559	40.2
157.06505	7.7
159.04408	7.8
159.08022	3.2
160.05180	5.3
161.05972	31.8
161.09592	4.8
162.06709	10.5
162.09224	2.7
163.07541	57.0
165.09100	7.6
165.12747	3.1
167.07129	2.7
169.06488	4.4
171.04347	3.0
171.08031	3.5
173.05916	3.1
174.06825	3.5
175.07564	29.6
176.04691	5.0
177.05493	19.7
177.09117	7.8
179.07079	18.8
181.08609	6.2
183.10167	3.4
185.06053	6.2
187.07541	8.5
189.09106	24.0
191.07040	43.9
193.08591	9.1
195.06535	4.1
197.06042	2.8
197.07811	2.4
199.07500	8.6
201.09116	7.6
203.07011	13.5
203.10471	2.7
205.08589	10.4
207.10117	14.6
211.16985	3.1
213.09258	2.9
213.18365	2.7
215.07042	7.8
215.10704	3.9
217.08556	28.8
219.10153	5.0
221.08037	12.5
225.08955	2.5
227.10751	2.9
229.08612	8.2
231.10152	9.9
233.08098	20.1
241.08548	3.4
243.10136	4.2
247.09596	3.8
249.11226	5.1
257.11581	2.4
259.09662	12.1
263.08997	2.7
263.94812	2.2
266.14630	3.7
271.09689	5.1
275.12805	6.0
277.10739	15.9
289.10684	12.0
289.14661	2.9
289.65112	4.0
290.15506	5.9
293.13867	5.5
295.11905	16.8
299.12802	2.9
307.11798	39.8
307.26379	3.6
308.26730	9.4
311.12851	2.6
313.14038	2.5
326.27719	4.5
331.15311	9.6
341.13602	2.4
343.15366	2.9
367.15332	3.0
510.18442	2.6
541.77875	2.7
542.21710	16.9
543.21802	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	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.8
57.01511	2.7
57.03450	16.1
59.04993	2.9
62.07479	3.2
67.05489	9.5
69.03426	15.8
69.07059	11.1
69.92317	2.8
70.70417	9.1
71.05000	50.8
73.02905	3.2
73.47242	2.8
75.04482	5.2
79.05497	5.3
81.07070	15.2
82.07391	2.9
83.04983	12.5
85.02425	5.3
85.02911	67.4
85.06522	4.1
87.04474	5.6
90.41296	2.6
91.05494	16.1
93.07046	6.1
94.94360	2.8
95.04964	10.9
95.08601	7.6
96.34393	2.6
97.02893	3.5
97.06508	5.0
98.00914	2.8
99.04412	3.9
101.06021	3.1
103.05466	9.3
105.07043	14.8
106.81454	3.0
107.04972	10.6
107.08615	5.4
109.10149	9.8
111.04449	11.2
111.08121	3.2
113.05997	4.2
115.05440	7.8
117.07001	4.4
119.04938	10.6
119.08611	4.3
119.70246	2.5
121.06485	5.9
122.03649	3.5
123.11744	6.2
124.12018	5.2
129.05496	22.1
129.07008	4.7
131.04921	28.1
133.06487	15.0
135.08034	3.3
135.11728	3.9
137.05981	100.0
143.04930	5.4
143.08620	3.6
145.06474	13.4
147.04422	20.2
147.06506	6.5
149.05988	25.7
151.07555	44.9
157.06487	7.1
159.04366	3.5
160.05147	6.2
161.05968	35.3
161.09587	5.6
162.06741	7.3
163.07542	54.8
165.09073	8.8
169.06477	4.6
171.08066	4.7
175.07556	32.4
177.05475	22.0
177.09148	10.9
179.07039	20.3
181.08604	4.9
185.05963	4.5
187.07556	10.2
189.05597	3.9
189.09109	23.6
191.07034	43.1
193.08551	6.4
195.10167	5.6
197.06053	3.4
199.07561	6.8
201.09094	6.6
203.07002	12.1
205.08585	10.3
207.10139	14.0
213.09090	4.2
215.07031	7.0
215.10620	4.6
217.08614	24.9
219.10197	5.9
221.08018	16.0
229.08589	12.4
231.10211	8.3
233.08055	15.3
235.09596	4.6
243.10248	6.8
247.09511	5.3
255.10144	3.3
256.31067	3.3
259.09653	16.6
261.11243	4.8
275.12778	4.2
277.10886	16.3
289.10675	7.3
289.14874	5.9
289.65067	5.3
290.15561	9.5
293.13870	4.0
295.11829	23.4
297.11139	3.4
307.11792	43.1
331.15286	8.2
343.15421	4.3
442.44064	3.2
542.21503	9.0
543.22345	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58774	0.5
55.46984	0.4
71.53580	0.7
77.77863	0.5
88.28138	0.5
94.87242	0.4
98.17765	0.4
107.78941	0.5
114.36660	0.7
242.00256	0.5
316.97821	0.5
363.06882	1.0
381.07901	9.4
381.12454	1.0
543.13239	100.0
544.13916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.74074	2.2
57.03427	4.6
57.19452	2.4
61.02931	16.4
63.30652	3.1
65.33191	2.3
67.05501	2.8
69.03439	23.2
71.01358	3.7
71.04974	4.0
71.90696	2.4
73.02910	19.0
78.39162	2.1
79.05452	2.0
81.03413	20.5
81.07001	3.4
85.02909	43.6
91.03973	11.5
95.01320	6.0
96.78757	2.5
97.02905	23.8
99.04455	9.8
103.03970	5.6
109.02885	21.4
115.03946	5.5
125.99731	2.3
127.03921	59.4
128.87651	2.3
133.04955	14.9
141.01813	21.6
145.04982	24.9
159.02869	4.4
163.06047	17.0
186.54726	2.4
187.06029	51.0
205.07082	100.0
255.14778	2.3
318.13190	2.6
354.61783	2.7
363.08997	3.4
509.61267	2.7
543.30273	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	543.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05486	3.3
57.03418	4.8
61.02927	31.1
67.05499	3.1
68.18122	2.9
69.03435	27.6
71.01344	4.6
71.04995	5.4
71.54037	3.1
73.02921	11.7
79.05508	5.3
81.03420	73.4
81.07039	3.8
85.02905	72.1
91.03968	23.4
91.79131	2.4
93.07014	5.8
95.01321	28.6
95.08591	2.7
97.02894	100.0
97.03524	5.8
99.00793	3.7
99.04462	18.3
103.03909	3.9
107.04935	3.2
107.08552	3.0
109.02888	24.0
111.04483	2.8
113.02378	6.1
115.03902	3.6
119.08532	3.9
127.03919	65.6
133.04955	4.1
133.10156	3.6
141.01831	59.1
145.04958	27.0
158.66022	2.5
159.02866	11.4
163.06012	24.9
173.04442	7.9
179.76027	2.4
187.04398	5.2
187.06017	67.2
189.62410	3.1
205.07086	40.0
329.71118	2.8
543.28723	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	543.242
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27619	0.1
63.64104	0.2
69.20845	1.5
81.07050	0.2
97.02898	0.2
105.07050	0.2
133.06529	0.3
137.05995	0.2
138.09198	0.2
149.06018	0.2
167.07019	0.3
193.08635	0.4
194.09001	0.2
209.08195	0.2
210.08519	0.2
211.09711	1.0
212.10057	0.5
317.08490	0.2
335.09518	0.4
367.02277	0.2
411.19962	5.8
543.24188	100.0
544.24719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.2
69.82366	0.3
69.82773	0.2
81.03382	0.1
81.07041	0.3
85.02892	0.3
85.06558	0.1
85.48477	0.1
93.07067	0.2
95.08591	0.2
95.75024	0.1
97.02895	0.2
98.21484	0.2
105.07056	0.2
107.08575	0.1
109.10220	0.1
111.08138	0.1
115.02319	0.1
115.05272	0.1
119.08613	0.1
120.57774	0.1
121.10175	0.1
127.03934	0.1
131.04933	0.3
133.06433	0.1
136.36777	0.1
137.05959	0.7
138.06334	0.2
145.88255	0.1
150.34094	0.1
153.01830	0.4
161.06079	0.1
163.03860	0.1
163.07512	0.6
164.07922	0.3
167.07088	0.3
177.09126	1.4
178.09489	0.8
181.08603	0.2
182.11493	0.1
194.08914	0.1
211.09720	0.2
212.09831	0.1
221.11768	0.4
222.12080	0.3
233.32034	0.1
249.14586	0.2
317.08380	0.2
335.09604	0.4
411.19910	3.0
453.21030	0.2
495.21091	0.1
543.24109	100.0
544.24579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01855	2.5
55.05506	5.9
57.03413	2.2
57.07039	2.3
57.82166	1.0
59.04977	1.7
67.05512	7.5
69.03430	11.5
69.07030	2.2
71.04962	2.7
71.55215	1.2
79.05445	4.7
81.03402	6.9
81.07072	8.1
83.04922	3.7
83.05408	1.2
83.08607	1.6
85.02907	12.5
85.06541	14.6
86.09718	1.3
87.00783	4.5
91.05421	3.8
93.07053	6.8
95.04942	2.5
95.08595	5.7
97.02837	5.1
97.06480	2.2
97.10127	2.7
99.04400	4.2
99.08098	9.8
105.01817	3.1
105.07052	8.3
107.08607	7.9
109.02823	4.7
109.06464	2.7
109.10189	5.7
111.07998	1.1
118.65134	1.2
119.08577	6.1
121.06429	2.3
121.10156	5.8
123.04403	1.8
123.08083	5.4
123.11658	2.2
125.05948	1.2
125.09592	2.6
127.03920	10.7
131.08485	2.9
133.06488	1.3
133.10147	6.8
135.07928	1.8
135.11594	4.6
137.05930	1.5
137.09570	1.8
139.11104	1.3
143.08418	1.4
145.04924	1.8
145.10028	5.1
147.08040	1.4
147.11627	3.6
149.09557	1.6
151.07573	8.8
157.10083	2.4
159.02808	2.6
159.07935	1.5
159.11746	5.3
159.12695	1.1
161.09587	2.3
161.13278	1.4
163.11057	4.4
171.11694	2.2
173.09515	1.1
173.13176	3.0
175.11079	1.6
175.14832	1.5
177.09142	1.7
177.12720	2.6
179.14183	1.8
181.12283	8.3
185.13107	3.2
189.12546	2.7
191.14288	1.5
199.14711	1.5
203.14149	2.5
207.13756	5.4
217.15881	1.1
221.15332	7.3
259.20541	5.8
277.21686	11.0
295.22601	5.7
355.41815	1.3
372.86478	1.1
379.10992	1.2
381.26196	5.9
388.43747	1.2
411.23318	2.9
525.26727	7.6
543.27325	100.0
544.28302	1.7
544.61298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.3
53.03942	3.1
55.01873	3.2
55.05513	14.3
57.03412	2.6
57.07048	1.6
65.03941	1.3
67.05509	32.6
69.03413	1.3
69.07071	8.1
69.49884	3.1
71.04984	3.0
73.02892	1.2
77.03901	1.1
79.05494	41.6
80.80688	0.6
81.03392	2.4
81.07059	29.6
83.04981	3.5
83.08624	7.6
85.06544	1.2
85.21780	0.5
91.05482	19.4
93.07047	54.5
95.04977	6.1
95.08610	41.9
97.02884	2.9
97.06528	4.3
97.10152	2.0
99.04471	3.0
99.08054	0.7
103.05434	1.1
105.04483	1.7
105.07030	14.7
107.04298	0.6
107.04962	6.6
107.08599	33.2
109.06510	1.9
109.10157	7.0
111.04409	1.2
111.08072	1.4
111.47672	0.5
113.05977	0.7
115.05482	0.9
117.06242	0.7
117.07024	13.0
119.07807	1.0
119.08583	13.3
121.06532	4.3
121.10146	19.9
123.11686	1.5
125.05990	2.0
125.09641	0.6
129.06960	1.2
130.07765	1.8
131.08571	6.3
133.10132	6.2
135.08035	1.7
135.11697	42.4
139.07530	1.1
139.11215	1.0
143.08540	1.2
145.10127	23.6
147.11667	2.5
149.13223	1.8
152.34166	0.6
153.12813	0.8
155.08609	0.7
157.10118	0.9
159.11705	3.3
161.13280	1.3
161.65126	0.7
163.11186	50.1
173.09601	0.7
173.13278	2.5
181.12234	11.1
209.11717	1.9
227.12788	100.0
240.20216	0.6
243.21106	1.8
261.22171	5.1
275.20044	0.7
317.24826	0.9
359.96542	0.6
525.35437	1.3
533.08868	0.6
543.36847	80.4
544.37115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03930	1.8
55.01866	1.9
55.05510	13.2
56.96564	0.8
57.03444	3.6
57.07073	0.9
59.04984	1.1
65.03934	2.0
67.05505	22.4
69.03431	1.7
69.07074	7.4
69.78107	1.9
69.78511	2.2
70.90637	0.7
71.04987	2.2
79.05485	14.4
81.03422	5.9
81.07057	18.1
83.04977	4.1
83.08625	8.9
85.02905	1.5
85.06545	1.5
89.79707	0.6
91.05478	16.8
93.07043	14.4
95.04971	4.5
95.08606	12.1
97.02884	1.2
97.06528	2.5
97.10166	5.9
99.08102	0.8
105.07027	14.5
107.04950	2.7
107.08598	9.3
109.06522	1.4
109.10157	8.5
111.08097	2.0
115.05442	1.5
116.06209	0.8
117.07021	10.9
119.08587	11.1
121.06511	2.2
121.10145	5.3
123.08073	1.4
123.11694	1.8
125.09621	5.3
128.06204	2.2
129.06989	9.2
131.08562	14.0
131.63446	0.7
133.06499	1.4
133.10146	6.9
135.08064	2.8
135.11694	3.5
137.09615	1.0
139.03882	0.7
141.06981	3.3
142.07768	2.0
143.08560	8.9
145.06496	2.1
145.10110	9.6
147.08070	2.3
147.11684	4.8
149.09631	2.3
149.13313	1.5
151.11189	0.7
153.07031	1.2
155.08575	5.9
157.10115	9.0
159.08052	2.3
159.11705	7.0
161.09608	1.6
161.13289	2.5
163.11218	1.6
167.08615	2.8
168.09355	0.7
169.10104	8.1
171.08121	1.4
171.11690	7.0
173.09676	1.6
173.11865	1.3
173.13298	5.1
175.11093	1.5
175.14871	1.8
179.08607	0.8
181.10094	3.6
182.10957	0.6
183.11697	5.1
185.09569	1.0
185.13232	4.1
187.11192	1.2
187.14864	2.1
189.11264	2.3
189.12784	0.7
193.10208	1.3
193.12279	2.2
195.11665	3.4
197.13260	4.4
199.11162	1.2
199.14783	3.9
201.12762	1.0
201.16393	1.3
207.11795	1.1
208.12903	0.7
209.13332	3.2
211.14899	2.0
213.16490	1.0
215.14252	1.0
222.68127	0.6
223.14816	1.8
227.12799	3.0
229.14389	1.3
237.16447	1.4
241.19537	1.6
257.18961	0.7
259.20541	3.7
265.19577	0.8
267.15817	3.1
283.20609	1.7
288.84552	0.7
297.22205	2.1
299.23608	5.2
301.21832	0.7
311.23486	0.7
315.23477	1.3
321.22458	1.0
327.23300	1.2
333.24393	2.0
339.23383	1.0
352.72726	0.7
353.24890	1.0
357.24463	1.0
371.25842	0.9
415.30048	1.3
421.25595	0.7
423.32535	1.0
433.31049	6.0
435.27441	1.0
451.32043	9.3
469.33160	4.7
507.34653	2.0
515.37354	2.4
525.28198	0.6
525.35724	19.0
543.36853	100.0
544.37549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3687
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.02385	0.4
53.03945	1.7
55.01865	1.9
55.05516	13.1
57.03443	3.8
57.07078	1.3
59.04993	0.8
65.03951	1.5
67.05511	22.5
69.03415	1.1
69.07069	7.3
71.04989	1.7
71.22230	1.0
79.05068	1.0
79.05499	14.3
81.03427	5.4
81.07064	17.8
83.04991	2.2
83.08628	7.4
85.06527	0.8
91.05488	16.2
93.07052	12.8
95.04997	4.3
95.08612	10.4
97.06545	2.5
97.10175	6.5
98.20870	0.6
99.08100	1.2
103.05477	0.8
105.07036	12.5
107.04966	2.2
107.08604	9.2
109.06526	1.2
109.10162	7.8
111.08089	1.9
115.05467	1.0
117.07024	7.7
119.08596	10.1
121.06530	1.9
121.10154	4.1
123.08097	1.2
123.11719	1.7
125.09640	5.2
127.00786	0.5
128.06235	1.9
129.07002	7.0
130.07793	1.2
131.08575	14.2
133.06512	1.6
133.10147	7.5
133.72752	0.5
135.08083	2.4
135.11705	2.8
137.09604	0.7
141.06987	2.5
141.08931	0.5
142.07805	2.0
143.08566	8.7
144.09377	0.9
145.06491	2.4
145.10138	11.9
145.11295	0.6
147.08055	1.9
147.11676	5.1
149.09657	1.8
149.13211	1.2
153.07089	0.8
153.08981	0.5
154.07776	0.8
155.08591	5.3
157.06519	0.8
157.10132	8.2
159.08054	2.5
159.11702	7.8
161.09654	1.3
161.13257	2.1
163.11189	1.9
165.07002	0.9
165.12737	0.6
167.08565	2.6
169.10127	5.1
171.08076	1.4
171.11690	6.8
173.09647	1.7
173.11845	0.8
173.13223	4.7
175.11192	1.3
175.14848	1.5
177.12939	0.5
179.08582	0.8
179.14435	0.7
181.10132	3.5
183.11696	4.7
185.09637	2.0
185.13283	5.1
187.11186	1.5
187.14874	2.1
189.11264	1.8
193.10196	0.9
193.12254	1.5
193.47112	0.5
195.11710	3.6
195.13649	0.5
197.09750	0.5
197.13319	3.3
199.11179	1.1
199.14786	3.1
201.12695	0.8
201.16374	0.8
205.15970	0.5
207.11771	0.8
209.13228	3.3
211.11414	0.7
211.14899	2.3
213.12807	1.1
213.16483	1.1
215.14403	0.8
219.11844	1.0
220.12466	0.6
221.13293	1.3
223.14824	2.1
225.16412	1.0
227.12682	2.7
229.14333	1.2
233.13286	0.7
233.15439	0.8
235.14783	0.6
237.16446	1.1
239.18068	0.8
241.19673	1.0
243.15813	0.5
257.19162	1.0
259.20551	3.6
263.18063	0.8
265.19598	0.6
267.15784	3.2
271.17148	0.7
275.20227	0.8
281.18933	0.6
281.22699	0.7
283.20435	1.1
287.16602	0.7
295.20581	0.7
297.22049	3.2
299.20639	0.7
299.23724	3.6
301.21799	1.1
305.22491	0.6
309.21909	0.6
313.21725	0.9
315.23218	0.7
321.22128	0.7
325.21655	0.6
327.23480	0.6
333.24286	1.6
335.23596	0.8
339.23416	1.1
353.25079	0.8
371.25980	0.9
372.89337	0.5
390.32745	0.5
415.30191	1.8
421.25653	0.9
423.32635	1.9
433.31015	6.7
441.33633	0.8
451.32162	8.3
452.93851	0.5
469.33160	4.9
487.34387	0.8
499.34457	0.6
507.34653	1.7
515.37231	2.5
525.35773	19.3
543.36853	100.0
544.37311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01861	3.2
55.05266	1.5
55.05510	15.4
57.03426	4.6
57.07075	1.9
59.78402	1.0
61.02917	1.7
65.03931	1.2
67.05505	29.0
69.03431	2.6
69.07076	9.8
71.05000	2.4
72.58507	1.1
73.02914	1.2
73.31806	1.1
79.05494	20.2
81.03415	10.3
81.07056	26.4
83.04997	3.7
83.08622	8.2
84.62118	1.0
85.02907	3.8
85.06518	1.7
91.03972	1.7
91.05482	20.4
93.07039	17.3
95.04982	7.1
95.08606	15.5
97.02910	2.0
97.06537	3.5
97.10150	7.2
98.20715	2.3
99.08130	1.6
105.07023	17.1
107.04975	3.1
107.08612	10.6
109.06569	1.5
109.10148	10.4
111.08103	2.3
117.07013	11.4
119.08581	15.0
121.06547	2.2
121.10140	6.9
123.08090	1.1
123.11720	2.3
125.09631	5.7
127.55123	1.0
128.06239	2.6
129.07016	8.9
131.08582	16.4
133.06509	1.7
133.10147	8.5
135.08046	2.5
135.11694	4.1
137.05949	1.5
137.09624	1.5
141.06984	4.8
142.07774	2.4
143.08545	8.9
145.04944	1.2
145.06448	1.8
145.10121	13.2
147.08072	2.2
147.11719	6.3
149.09669	2.9
149.13309	1.7
151.11224	1.3
154.07820	1.1
155.08524	5.2
157.06473	1.5
157.10135	10.0
159.08087	3.0
159.11674	8.0
161.13208	2.4
166.07817	1.2
167.08603	1.5
169.10138	7.7
171.08098	2.0
171.11679	7.2
173.09700	1.5
173.13219	7.0
175.11198	3.0
175.14899	1.9
179.08650	1.6
181.10170	3.7
183.11703	4.2
185.09677	2.3
185.13281	4.8
187.11205	1.8
187.14822	2.3
189.11241	2.0
193.10324	0.8
193.12341	4.4
195.11681	3.0
197.13324	3.7
199.11166	1.4
199.14903	3.8
201.12811	1.5
204.31172	1.0
209.13345	3.5
211.11443	1.3
211.13249	2.0
211.15004	1.5
211.97014	1.1
215.14392	1.6
219.11766	1.5
223.14818	2.6
227.12801	1.9
241.15680	1.1
241.19644	1.8
247.35237	1.2
251.11398	3.0
253.13101	1.8
257.18991	1.7
259.20685	3.8
260.14294	1.2
267.15915	2.3
269.12436	13.4
270.12634	2.4
275.20227	1.3
283.20737	2.2
292.14047	1.4
297.22162	3.4
299.20877	1.1
299.23758	5.9
301.22043	1.2
313.21848	1.8
331.22137	1.1
333.24179	1.7
351.20288	1.5
357.24344	1.4
363.23459	1.5
366.09213	1.3
415.30038	2.6
423.32602	2.1
433.30994	6.2
451.32092	9.3
469.33398	5.4
487.34097	2.4
515.38013	1.3
525.35706	18.9
543.36957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2166
Annotation	Nobilin E
Peak:m/z	Relative Intensity
53.03944	0.4
55.05518	0.4
57.03427	0.7
58.99569	0.6
61.02912	1.5
67.05510	2.5
69.03436	4.8
71.04990	0.9
71.54031	0.4
71.54399	0.5
73.02910	1.6
78.94193	0.4
80.47856	0.3
81.03417	2.0
81.07040	0.8
83.04993	0.5
85.02911	7.1
85.06521	0.4
86.00660	0.6
87.04476	1.6
91.05436	0.8
93.07013	0.7
95.08614	4.0
97.02894	3.5
98.00653	0.5
98.97581	0.8
99.04436	0.9
104.08885	0.4
105.07030	0.7
107.08596	0.5
109.02874	0.7
109.09574	0.4
109.10161	4.8
111.02628	0.5
112.02148	0.5
114.03770	0.4
116.01672	1.7
116.98572	0.5
119.08571	1.6
121.10143	0.5
126.03723	0.8
127.03932	1.7
129.06938	0.4
133.10143	0.7
137.05971	0.8
138.03676	1.2
140.05330	1.0
142.03146	0.4
143.08569	0.6
145.04994	0.7
145.08929	0.7
145.10072	0.7
146.09653	0.4
147.04424	0.5
147.11681	1.5
149.04268	0.4
150.03740	1.1
152.05278	1.8
154.03189	1.4
154.06787	0.5
157.10135	0.6
157.13817	0.4
159.11687	0.5
160.05055	0.4
161.13242	0.5
162.02176	0.5
162.12759	0.5
163.05661	0.5
164.05331	3.0
166.03198	1.2
166.06847	0.9
168.04791	4.9
169.10092	0.4
171.11678	0.8
172.11201	0.5
177.07390	0.6
178.06863	3.7
180.04774	3.9
180.08406	1.2
182.06361	0.9
185.13339	0.5
186.12819	0.7
187.13513	0.5
188.05252	1.1
190.06850	0.5
194.06331	1.1
196.11166	0.5
198.12785	1.1
203.07466	1.9
204.08452	4.0
206.06372	1.3
206.09911	0.7
211.13567	0.7
212.14395	1.1
213.15123	1.2
215.76067	0.4
216.08376	1.2
218.09969	1.6
220.11557	2.9
221.11775	0.5
224.07307	0.5
230.09969	4.1
231.10818	0.7
238.12663	0.7
244.11577	4.6
245.12439	2.4
246.10597	0.6
246.13132	11.3
253.06355	0.5
257.08725	0.4
262.12689	2.0
264.14053	0.8
267.08069	1.0
269.06134	0.9
271.07391	3.1
272.11038	3.4
280.80148	0.4
281.09604	2.3
282.10367	1.4
283.07510	5.5
283.10663	0.5
285.09122	0.4
290.11896	0.5
297.08972	1.4
307.11209	0.9
309.08896	1.4
322.13745	2.0
323.14255	1.3
325.12274	0.4
327.10474	0.6
332.11789	1.9
347.14252	25.8
365.15311	9.9
383.16409	5.5
545.21539	100.0
546.21875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.217
Annotation	Nobilin E
Peak:m/z	Relative Intensity
57.03436	1.4
58.11578	0.7
60.75296	0.6
61.02934	2.0
67.05512	2.8
69.03437	5.2
69.66408	1.4
69.66783	3.6
73.02920	1.3
79.05519	0.8
81.03436	2.1
81.07069	1.2
85.02916	8.1
87.04513	1.6
95.08604	5.0
97.02911	5.3
98.00647	1.0
98.97598	1.2
105.07034	1.0
109.02943	1.5
109.10160	7.0
109.72394	0.6
116.01691	1.3
119.08598	1.0
121.10179	1.7
126.00063	0.8
127.03954	1.6
131.07379	0.9
137.05888	0.7
138.03748	0.7
140.05388	0.9
142.03215	0.8
147.11736	1.6
150.03714	1.1
152.05379	0.8
153.01810	1.6
154.03253	1.4
157.10115	0.9
161.13264	0.6
164.05232	3.1
166.03337	1.3
166.06854	1.0
168.04816	4.4
170.10960	0.7
172.11200	0.8
173.50919	0.7
176.33755	0.9
176.63409	0.7
177.06015	0.8
178.06850	3.3
180.04749	3.9
180.08464	1.1
182.06482	0.8
185.68065	0.6
187.13614	0.8
188.05348	1.4
190.06953	1.0
194.06346	1.1
194.10106	1.2
198.12862	1.1
202.06795	1.1
203.07477	1.5
204.08408	4.8
206.06458	1.2
211.13571	0.7
212.14485	1.4
216.08540	1.2
218.10072	1.8
220.11517	4.1
227.09286	0.9
230.09998	6.6
235.98979	0.7
244.11517	5.8
245.12413	2.3
246.13123	10.5
253.06639	0.8
262.12598	3.1
264.14301	1.2
267.07950	0.8
269.05975	2.3
271.07562	2.7
272.11008	3.4
275.07422	1.0
281.09625	2.8
282.10349	1.5
283.07523	9.4
283.10529	1.1
297.09174	2.0
307.11276	1.2
309.09305	1.7
314.16327	0.8
322.13574	3.1
323.14236	2.1
332.11942	2.6
347.14276	27.4
365.15308	16.3
383.16360	13.5
418.46649	0.8
545.21716	100.0
546.22180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2366
Annotation	10-Deacetylbaccatin III
Peak:m/z	Relative Intensity
56.66850	0.5
56.96563	2.0
69.03456	0.6
70.02396	2.1
72.56568	0.5
78.66600	0.5
81.03395	0.6
81.07045	0.6
83.04952	0.9
85.02919	0.7
86.98158	0.5
91.05466	0.7
93.07066	0.8
95.04978	5.1
98.97598	4.2
107.08585	1.2
107.92931	0.5
110.97559	0.9
113.06004	1.1
116.98621	1.5
120.18090	0.5
121.06506	0.8
126.97077	0.5
128.98605	0.6
133.10123	0.5
136.97095	0.6
137.06012	0.8
140.98560	0.7
146.99617	0.8
147.53368	0.5
149.06024	0.6
151.03911	0.8
155.74767	0.5
158.99696	1.4
177.00706	0.5
177.05493	0.9
201.00667	0.6
219.01753	2.6
237.02925	3.2
249.11679	1.2
267.12701	4.3
269.14267	1.4
285.13824	1.4
293.14136	1.0
395.17633	1.3
413.18372	3.9
419.88336	0.5
527.22119	3.1
545.23621	100.0
546.24146	0.8
566.30762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66850	0.5
56.96563	2.0
69.03456	0.6
70.02396	2.1
72.56568	0.5
78.66600	0.5
81.03395	0.6
81.07045	0.6
83.04952	0.9
85.02919	0.7
86.98158	0.5
91.05466	0.7
93.07066	0.8
95.04978	5.1
98.97598	4.2
107.08585	1.2
107.92931	0.5
110.97559	0.9
113.06004	1.1
116.98621	1.5
120.18090	0.5
121.06506	0.8
126.97077	0.5
128.98605	0.6
133.10123	0.5
136.97095	0.6
137.06012	0.8
140.98560	0.7
146.99617	0.8
147.53368	0.5
149.06024	0.6
151.03911	0.8
155.74767	0.5
158.99696	1.4
177.00706	0.5
177.05493	0.9
201.00667	0.6
219.01753	2.6
237.02925	3.2
249.11679	1.2
267.12701	4.3
269.14267	1.4
285.13824	1.4
293.14136	1.0
395.17633	1.3
413.18372	3.9
419.88336	0.5
527.22119	3.1
545.23621	100.0
546.24146	0.8
566.30762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34182	0.3
59.04489	0.3
67.05495	0.4
81.21266	0.3
83.04975	0.8
85.02917	0.6
91.19798	0.3
93.07039	0.4
95.04978	2.7
97.02884	0.5
98.97592	0.4
121.10195	0.5
167.07108	0.4
184.40640	0.4
191.25983	0.4
202.46974	0.3
219.01855	0.3
237.02982	0.4
239.34163	0.4
267.12701	0.5
275.07434	0.6
335.09515	2.9
335.15543	0.3
383.11206	0.6
383.20377	1.4
413.21213	0.7
440.76654	0.3
515.24646	51.9
516.24860	0.4
545.25690	100.0
546.25702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05494	0.4
56.96560	0.5
57.03426	1.0
59.57222	0.3
67.05502	1.0
69.03413	1.4
69.07063	0.8
70.06598	4.0
71.04974	0.6
71.06898	0.4
71.53633	0.4
71.54024	0.4
73.02914	1.4
76.64497	0.4
79.05498	0.8
81.03418	0.5
81.07047	0.9
83.04995	0.4
85.02906	2.0
86.09708	0.7
87.04442	0.5
89.03900	0.4
91.03897	0.3
91.05474	0.8
93.07055	1.0
95.04988	0.5
95.08614	1.0
97.02883	0.7
98.97581	0.8
105.07042	1.1
107.04978	0.7
107.08604	1.1
109.06532	0.5
109.10169	1.0
111.08081	0.4
112.99091	0.5
117.07085	0.4
119.04981	0.4
119.08586	1.0
121.02918	0.4
121.06464	0.5
121.10166	0.5
123.04482	0.4
127.03960	0.8
130.06561	0.6
131.08490	0.4
133.10117	0.7
135.04413	0.6
135.08121	0.4
137.06004	0.7
143.00238	0.4
145.02878	0.5
147.04448	0.6
147.11650	0.3
151.03900	0.3
153.01843	0.6
157.07495	0.6
158.99576	0.3
159.08067	0.4
161.09666	0.9
161.13216	0.3
163.03911	4.5
163.11243	0.4
167.06995	0.6
167.10660	0.3
175.08775	0.7
176.08994	0.8
177.00757	0.5
178.04803	0.4
179.10608	0.4
183.15021	0.5
193.15858	0.3
197.06165	0.3
211.14503	0.4
219.01895	0.3
233.15231	0.5
251.16393	0.4
268.12000	0.5
272.13690	0.4
275.07394	0.5
312.06836	1.1
317.08530	0.4
317.16824	0.4
333.07928	0.9
335.03183	0.4
335.09531	7.6
335.13574	0.4
335.17963	0.4
361.02524	0.7
365.26590	1.5
402.09943	0.4
413.21613	2.7
432.23480	0.7
479.10172	0.4
513.21033	0.8
527.24561	2.3
545.25732	100.0
545.32465	5.7
546.26196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50804	0.2
70.54735	0.3
70.55058	0.4
71.25987	0.2
81.07032	0.5
84.29061	0.2
95.08613	0.3
107.08572	0.2
289.83615	0.2
383.15829	0.2
383.27780	0.9
393.14386	0.3
515.31775	0.6
545.32959	100.0
546.33069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01859	3.0
55.05272	1.3
55.05510	19.3
55.29811	0.8
57.03430	6.5
57.07043	1.0
58.07382	0.7
59.04991	0.9
65.03925	3.0
67.05505	39.1
69.03413	2.2
69.07066	9.6
70.58340	2.5
71.05003	4.1
71.08627	0.8
71.73107	0.9
77.03919	1.2
79.05494	40.0
81.03420	28.1
81.07055	40.3
81.90554	0.8
82.33386	0.7
83.04997	5.7
83.08615	14.7
85.02907	14.5
85.06540	2.0
87.36659	0.8
91.05478	30.4
93.07046	35.7
95.04964	15.0
95.08611	25.4
97.02925	0.9
97.06522	3.6
97.10143	4.6
99.08067	0.9
105.04552	1.1
105.07027	21.8
107.04951	3.8
107.08592	18.3
109.06521	2.7
109.10171	8.8
111.04474	1.2
111.08074	6.7
113.06008	2.1
117.07013	4.2
119.08585	16.7
121.06503	1.8
121.10133	17.7
123.08049	1.7
123.11708	3.3
125.09630	2.6
129.07001	6.7
131.08563	13.9
133.06544	1.4
133.10129	10.8
135.08119	1.5
135.11682	6.8
137.09599	1.1
137.13179	0.8
141.06966	1.3
142.07806	1.7
143.08554	2.6
145.10133	6.7
147.08032	1.6
147.11673	9.6
149.09616	3.1
149.13260	3.7
155.08577	1.3
157.10126	7.0
159.11700	4.4
161.13257	3.1
165.12717	1.7
171.11702	0.9
173.13226	3.9
175.11188	8.4
175.14848	1.7
183.11574	1.0
185.13219	1.6
187.14822	1.3
193.12244	28.3
211.13280	31.7
227.12825	2.2
230.18106	1.1
243.21181	1.4
249.14642	1.0
261.22144	4.0
267.15897	6.4
301.22192	0.9
301.25314	3.4
335.25848	6.3
435.32516	1.8
453.33572	2.4
471.34647	1.9
509.36484	1.4
524.60925	0.8
527.37280	14.4
545.38361	100.0
546.38678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
51.71088	0.8
53.03963	4.1
55.01872	2.9
55.05262	1.5
55.05517	18.8
57.03450	6.5
57.07084	1.8
59.05008	0.9
65.03941	2.1
67.05511	44.7
69.03436	2.5
69.07076	12.3
70.78491	2.0
71.04994	4.6
77.03913	0.9
79.05499	41.3
81.03425	31.2
81.07066	42.0
83.04993	6.1
83.08628	16.8
85.02914	16.0
85.06550	2.6
89.98936	0.8
91.04907	1.2
91.05010	0.6
91.05486	30.3
93.07053	37.4
95.04984	16.3
95.08619	23.6
97.02898	1.7
97.06551	4.6
97.10194	6.8
99.08163	0.9
103.05499	1.3
105.07043	25.1
107.04995	3.2
107.08608	20.7
107.09302	1.4
109.06548	3.6
109.10168	11.9
109.31426	0.8
111.04477	0.9
111.08095	6.8
115.05473	1.4
117.07035	6.0
119.08590	18.7
121.06503	2.1
121.10165	15.8
123.08094	3.0
123.11692	4.8
125.09626	4.2
129.07025	7.6
131.08568	16.4
131.42665	0.8
133.06520	1.3
133.10141	12.2
135.08110	1.6
135.11720	8.5
137.09639	1.0
137.13274	1.4
141.06964	1.0
141.82211	0.8
142.07805	2.0
143.08578	3.2
145.10161	8.6
147.08078	2.7
147.11702	8.8
149.09627	3.3
149.13310	3.8
151.11235	1.3
155.08574	1.7
157.10143	9.0
159.11734	6.5
161.13329	3.3
163.11165	0.9
163.14839	1.8
165.12805	2.1
171.11745	2.9
173.13277	5.1
175.11235	6.5
175.14888	2.4
183.11765	1.8
185.13373	2.5
187.14809	2.2
189.11230	2.1
193.12277	27.6
195.11742	1.2
197.13361	1.2
199.14835	1.0
201.16333	1.0
211.13301	32.7
211.15248	2.1
227.12837	3.8
243.21109	1.5
261.22095	4.6
267.15952	7.9
285.22189	2.6
301.25116	4.5
303.23315	1.3
317.24805	1.3
335.25833	5.8
417.31525	1.3
435.27420	1.3
435.32675	4.6
453.33521	4.1
471.34860	3.4
509.36591	1.6
527.37317	23.1
539.12195	0.9
545.38428	100.0
546.38708	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01862	2.9
55.05274	1.5
55.05516	21.4
56.13552	1.0
57.03440	7.6
57.07063	1.6
65.03924	2.2
67.05506	47.6
69.03426	3.5
69.07076	9.8
69.39606	7.3
71.04980	3.8
79.05494	44.3
81.03418	34.3
81.07056	40.1
83.04996	7.5
83.08620	18.3
85.02911	16.4
85.06550	1.6
87.69868	1.2
91.04899	1.5
91.05486	37.9
93.07047	43.1
95.04967	18.0
95.08606	29.4
97.06541	2.9
97.10194	5.4
98.20714	2.0
99.08093	1.2
105.04506	1.5
105.07030	23.8
107.04972	3.3
107.08597	18.0
109.06550	2.3
109.10165	10.3
111.04447	1.3
111.08080	7.2
113.06012	1.8
115.05484	1.5
117.07045	5.7
119.08583	17.5
121.06512	1.8
121.10162	17.6
123.11730	3.2
123.97501	1.1
125.09622	2.4
129.07011	7.6
131.08563	13.3
133.06554	2.1
133.10126	12.0
135.08043	1.6
135.11699	10.6
137.09622	2.7
138.28624	1.0
139.37022	1.0
141.07060	1.2
142.07756	1.6
143.08636	2.5
145.10121	7.3
147.08052	1.7
147.11671	12.1
149.09636	4.3
149.13277	3.7
157.10129	7.2
159.11795	5.2
161.13263	4.0
163.14857	1.5
165.12793	2.5
169.10170	1.7
171.11684	1.9
173.13295	4.0
175.11205	6.2
175.14890	2.3
183.11896	1.7
185.13269	2.0
187.14815	1.9
193.12250	29.5
193.13870	2.1
199.14822	1.1
201.16315	1.4
211.13292	36.4
211.15257	1.8
227.12781	1.6
243.21208	1.8
261.22073	6.7
267.15912	6.2
301.25290	3.9
303.22897	1.0
317.24789	1.8
335.25851	3.4
336.26212	1.2
435.32568	2.5
453.33499	2.4
471.35388	1.7
509.36551	1.3
527.37225	15.8
545.38385	100.0
546.38916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
53.83143	0.8
55.01870	2.4
55.05258	1.5
55.05512	16.6
57.03437	7.2
57.07080	1.3
65.03930	1.5
67.05507	41.2
69.03431	3.3
69.07074	10.7
71.04988	3.3
79.05496	36.4
81.03423	29.6
81.07059	39.3
83.04984	5.9
83.08623	14.4
85.02908	13.6
85.06551	1.9
86.37989	0.9
91.04911	1.0
91.05486	30.3
93.07050	35.7
95.04974	14.9
95.08610	21.2
97.02917	1.1
97.06537	4.0
97.10178	3.6
97.31915	0.9
99.08094	1.0
105.04570	1.2
105.07038	23.2
107.04975	2.6
107.08602	19.6
109.06531	2.2
109.10152	10.5
111.04441	1.8
111.08089	6.6
113.06021	1.7
117.07026	6.1
119.08587	19.0
121.10155	17.2
123.08048	2.2
123.11704	4.3
125.09640	3.4
129.07016	6.1
131.08559	14.9
133.06528	1.0
133.10127	10.6
135.08078	1.4
135.11719	8.4
137.09656	1.3
138.86113	1.2
142.07831	0.9
143.08580	2.8
145.10141	7.7
147.08083	1.8
147.11690	11.8
149.09651	3.0
149.13255	4.4
155.08554	1.5
157.10103	7.2
159.11664	5.4
161.13261	3.4
165.12743	2.1
169.10161	2.0
171.11699	2.6
173.13332	3.1
175.11215	6.1
175.14871	1.2
183.11710	1.4
185.13286	2.0
187.14851	2.5
189.11252	1.7
190.20973	0.9
193.12247	27.3
197.13356	1.4
211.13292	30.9
227.12798	2.9
243.21005	1.0
261.22043	4.9
267.15836	5.8
285.21948	1.8
301.25256	3.0
303.23212	1.5
335.25824	3.1
435.32599	2.8
453.33777	4.3
471.34808	1.6
473.53436	0.9
527.37408	16.9
542.76599	1.0
545.38385	100.0
546.38593	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	1.1
53.03940	3.9
55.01861	3.9
55.05260	2.0
55.05513	25.8
57.03438	6.5
57.07068	2.8
59.04985	1.7
65.03941	2.4
67.05507	47.5
69.03427	5.2
69.07069	15.5
69.51776	7.6
71.04984	2.8
71.08674	1.2
77.03890	1.2
79.05494	30.8
81.03422	23.4
81.07058	48.9
83.04992	6.1
83.08623	17.8
85.02905	1.4
85.06549	1.6
87.55971	1.1
88.08640	1.1
91.05487	24.6
91.06013	1.0
93.07044	36.4
95.04971	13.4
95.08608	32.2
97.06548	3.9
97.10161	13.6
103.05504	1.5
105.07031	25.3
107.04964	7.4
107.08588	24.4
109.06526	5.0
109.10162	20.7
111.08107	3.5
117.07034	12.5
119.08588	20.4
121.06526	7.4
121.10148	17.1
123.08064	5.2
123.11725	7.3
125.09634	11.1
129.07025	9.0
131.08560	23.5
133.06496	3.4
133.10129	14.2
135.08067	6.1
135.11688	9.2
136.67351	1.1
137.09598	2.8
141.06972	1.8
143.08595	7.0
145.06479	2.3
145.10138	12.5
147.08067	3.0
147.11699	9.6
149.09637	3.7
149.13275	4.1
151.11180	1.4
153.09105	1.3
153.12875	1.3
154.79205	1.3
155.08577	3.2
157.10123	8.5
159.08017	2.1
159.11711	10.5
161.09560	1.8
161.13290	6.5
163.11127	1.6
163.14792	2.4
169.10150	3.4
171.10469	1.2
171.11687	5.8
173.09708	1.4
173.13242	9.0
175.11253	2.6
175.14868	3.3
177.12769	1.7
183.11702	3.6
185.13268	3.2
187.13316	1.3
187.14848	4.6
189.11221	7.3
193.12247	8.2
197.13235	3.1
199.14828	4.1
201.16428	3.3
203.14407	1.5
211.13293	2.0
221.13358	1.3
227.12772	9.5
243.21204	3.1
247.16823	1.5
261.22180	10.9
267.13080	1.6
267.15894	18.8
267.21021	1.3
279.23172	2.2
283.24283	1.6
285.22046	2.1
299.23721	3.2
301.21927	2.2
301.25195	14.3
303.23227	2.3
317.24847	1.7
325.21371	1.3
329.21152	1.8
335.25818	15.8
359.25879	2.0
417.26254	1.4
421.25986	3.9
435.27795	1.9
435.32648	6.4
453.33691	11.1
471.34735	6.9
509.36264	2.6
527.37354	52.8
545.38379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
55.01869	17.0
55.05513	31.5
57.03436	24.9
60.29842	1.9
67.05170	3.6
67.05505	44.2
69.03427	11.9
69.07077	11.6
70.11523	4.7
70.11922	4.7
71.04975	6.3
73.02918	6.0
75.84395	2.3
79.05070	2.7
79.05495	39.6
81.03418	67.6
81.07055	43.6
82.04202	3.8
83.04980	25.4
83.08619	28.4
85.02885	19.9
91.05479	42.7
93.07040	35.7
95.04973	40.2
95.08607	18.2
97.02893	7.8
97.06537	11.2
97.10180	17.6
98.07322	5.3
98.21433	3.0
105.07034	30.5
107.04921	10.4
107.08600	14.8
109.06544	10.6
109.10135	10.0
111.04442	5.1
111.08086	12.6
115.03911	2.9
115.05373	2.7
116.04741	13.5
117.07021	4.1
119.08585	26.5
121.06512	4.5
121.10127	11.7
123.08062	11.7
125.09641	15.5
129.05492	31.9
129.07008	14.9
131.08566	15.4
133.04945	3.1
133.06479	3.8
133.10135	16.7
135.08076	2.6
135.11652	2.9
143.07013	6.3
145.10118	5.4
147.07982	5.3
147.11700	18.6
149.09608	6.4
157.08592	13.7
157.10104	18.8
158.05788	2.9
163.11174	7.7
165.12729	5.0
171.06425	2.8
171.10149	7.3
173.09575	2.2
174.46800	2.1
175.11171	21.0
189.11230	6.2
193.12251	61.6
199.09406	2.1
199.13304	9.3
211.13290	93.3
219.64630	2.4
227.12810	12.0
267.15891	22.3
283.15445	4.5
285.16956	72.8
301.16452	100.0
388.29480	2.4
405.29474	3.5
436.24789	2.1
439.27054	2.2
470.39944	2.6
477.28290	3.8
493.27975	7.2
509.68155	2.5
511.29089	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2158
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
54.09233	0.2
55.90842	0.3
56.96568	0.3
58.33538	0.2
67.68356	0.3
69.03423	0.8
69.21745	1.8
69.22152	0.4
72.91609	0.2
81.03410	0.4
83.04963	0.3
85.02920	2.3
95.04987	0.4
95.08591	0.5
95.47287	0.2
97.02902	0.9
98.97617	0.7
107.08620	0.5
109.02860	0.3
109.10168	0.7
121.06495	0.5
123.08078	0.9
127.03927	0.6
128.98593	0.3
135.11685	0.5
137.06009	0.3
145.04953	0.5
149.09686	0.3
151.11275	0.3
159.04213	2.7
165.09155	1.4
175.14905	0.3
177.12766	0.5
193.16068	0.4
205.12277	0.5
211.17114	0.3
223.13367	1.2
279.03934	0.3
294.10553	0.4
294.60559	0.3
307.09329	0.3
321.13150	0.7
335.11011	1.8
349.12646	0.4
350.13443	3.8
363.14368	0.3
385.18680	0.5
388.13220	0.3
401.15817	0.5
437.56854	0.3
546.73303	0.8
547.21521	100.0
548.21844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
54.46387	1.0
55.01876	4.2
55.05515	7.4
56.12912	1.0
56.16530	1.0
57.03441	5.8
61.02928	10.0
61.70959	1.0
67.05504	3.0
69.03436	27.4
69.07068	1.5
70.30779	2.4
70.31137	1.9
71.04995	3.7
73.02911	3.7
79.05509	4.8
81.03429	10.8
81.07076	2.6
83.01340	1.1
83.04987	5.1
83.08622	1.6
85.02912	100.0
87.04465	4.1
90.24616	1.0
91.03970	5.3
91.05486	5.4
93.07046	4.4
95.04970	4.1
95.08629	6.0
97.02903	30.5
97.06535	1.7
98.20779	1.2
99.04481	5.6
105.04504	1.0
105.07008	3.1
107.08620	2.3
109.02894	10.8
109.06541	5.0
111.04458	1.5
111.08090	2.1
115.03906	1.4
119.04962	0.9
119.08578	3.0
121.06507	37.9
121.10135	3.4
122.07368	1.7
123.08079	52.1
125.06005	2.3
127.03928	26.2
129.07091	0.9
133.10139	2.8
135.08070	2.9
135.11736	2.6
137.05998	3.7
137.09595	1.7
139.07555	8.7
145.04979	31.5
147.11714	1.5
149.05986	4.4
149.09631	13.2
151.07533	1.5
158.00327	1.2
159.11723	1.6
161.09555	1.5
163.06058	6.5
163.07341	1.7
163.11198	6.0
165.09131	76.9
167.07068	3.2
171.06641	1.0
177.05612	1.0
177.12788	10.7
179.10680	6.3
179.14211	1.2
187.11137	1.9
189.12917	1.3
191.10699	1.9
196.41734	1.0
205.12256	38.1
207.13824	14.8
221.11775	1.6
223.13321	78.0
283.11636	1.3
289.14297	1.4
311.11304	2.1
349.16379	2.2
367.17490	3.4
385.18658	18.5
498.14102	1.1
547.22046	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	547.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07530	0.2
55.01868	0.3
55.05501	0.3
57.03431	0.5
57.40689	0.2
64.98995	0.3
67.05495	0.3
68.08182	0.2
69.03419	1.2
69.07069	0.5
69.89260	1.0
70.04083	2.3
71.04993	0.6
72.28217	0.2
73.02900	0.5
74.10352	0.3
78.30610	0.2
79.05496	0.4
81.03423	0.5
81.07059	1.0
85.02912	1.9
88.09245	0.2
91.05492	0.8
93.07057	0.7
95.04950	0.4
95.08615	0.9
97.02916	0.6
97.06492	0.3
98.97575	0.4
99.04487	0.6
99.08134	0.3
103.05491	0.4
105.07032	1.3
107.08565	0.7
109.02887	0.6
109.06501	0.3
109.10172	0.7
119.08571	0.7
121.10149	0.5
121.94291	0.2
123.11738	0.4
124.07583	0.2
125.01538	0.4
127.03916	0.7
130.07779	0.2
131.04956	0.5
131.08583	0.4
133.10115	0.6
135.08047	0.3
135.11662	0.3
137.05989	0.8
139.03885	0.5
143.08424	0.3
145.04982	0.5
145.10062	0.4
147.04414	0.5
147.11679	0.4
151.03946	0.3
153.01859	0.6
157.10031	0.2
158.99696	0.3
161.05992	0.6
161.09642	0.5
163.11223	0.3
166.04976	0.5
167.07071	0.4
175.07562	0.2
179.25717	0.2
187.07539	0.3
193.15984	0.2
203.05283	4.3
205.12308	0.3
252.09013	2.4
253.09335	2.8
254.08727	0.4
287.05499	0.4
293.10504	0.2
299.09134	0.3
354.18771	0.3
367.28180	14.2
385.29279	1.1
414.14124	0.3
415.14462	1.8
547.34509	100.0
548.35095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.01884	3.2
55.05517	25.1
57.03442	4.9
57.07077	4.9
65.03957	1.7
67.05511	39.8
69.03460	1.5
69.07079	19.8
71.05006	3.6
71.53604	1.6
72.25047	1.4
74.09724	1.6
79.05501	25.2
81.03429	10.0
81.07066	39.4
81.07527	2.4
83.01360	2.4
83.04990	5.7
83.08628	16.6
85.02908	2.4
85.06541	2.5
91.05492	17.8
92.61350	1.3
93.07054	26.2
95.04989	10.3
95.08617	34.5
97.06542	2.5
97.10181	15.1
98.13609	1.3
99.08125	1.3
105.04538	1.3
105.07026	13.2
107.05018	4.0
107.08598	18.9
107.09290	1.5
109.06550	3.7
109.10170	16.9
111.08135	4.4
111.11749	2.2
117.07073	5.7
119.08583	13.0
121.06521	3.1
121.10160	12.5
123.08121	3.2
123.11758	3.0
125.09647	4.3
129.07011	1.8
129.09514	1.4
129.82158	1.4
131.08563	7.4
133.10130	8.4
135.11696	12.1
137.09673	2.5
137.13295	2.4
143.08568	2.8
145.10135	9.4
147.08130	2.0
147.11751	3.3
149.09650	1.6
149.13301	3.5
151.14888	2.0
153.12860	1.6
155.08591	2.9
157.10190	3.8
159.11688	3.2
161.13348	2.7
163.11188	12.1
163.14876	1.9
165.12978	1.3
169.10214	3.1
171.11749	1.6
173.13310	2.4
175.11086	2.2
177.12762	1.4
177.16496	1.4
181.12260	2.7
184.65520	1.6
185.13464	1.7
189.11330	3.7
191.10683	1.3
193.12270	6.9
209.11798	2.1
211.13406	5.0
227.12758	10.4
227.14586	1.3
235.15071	1.5
263.23752	1.9
267.16092	5.4
279.23511	1.5
303.26935	2.7
337.27551	5.4
340.18146	1.4
437.34293	2.1
455.35379	4.7
473.36572	3.0
517.33636	1.7
529.39026	14.5
547.40131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4002
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03949	4.6
55.01879	5.1
55.05516	27.5
57.03437	15.6
57.07074	7.4
65.03934	4.2
67.05512	93.8
69.07076	29.1
71.05008	6.7
71.08599	3.4
79.05496	59.3
79.05915	5.2
81.03424	12.6
81.06583	6.2
81.07060	100.0
83.05001	5.5
83.08624	18.0
85.02913	5.1
85.06551	4.5
85.27825	2.6
91.05486	38.3
93.07053	68.0
93.34948	2.9
95.04959	12.1
95.08617	63.7
97.06541	7.4
97.10174	9.4
99.08101	4.3
105.07040	34.0
107.04971	5.2
107.08600	33.9
109.06508	2.8
109.10157	34.2
111.08085	3.2
117.03184	2.4
117.07027	10.8
119.08593	25.5
121.10149	28.1
123.11716	11.0
129.07008	5.1
131.08585	23.9
133.10136	20.2
135.11726	20.2
143.08562	5.4
145.10132	15.0
147.11694	14.5
149.13263	29.6
155.08603	3.9
157.10190	4.7
159.11661	16.5
161.13268	7.7
163.14900	3.8
165.12811	2.7
171.11670	5.6
173.11795	3.2
173.13258	7.8
177.12810	5.0
187.14789	4.2
193.12263	7.0
195.13820	8.9
199.14856	5.6
211.13327	7.0
243.21170	3.4
261.22208	14.9
267.15933	3.3
269.17435	29.5
301.25262	5.1
317.25027	3.5
335.25806	28.5
387.74835	3.0
419.32910	3.6
430.82254	2.7
437.34091	8.3
455.34924	10.0
456.57108	3.2
473.36362	5.0
503.37054	3.3
511.37262	5.3
529.38916	80.1
547.39996	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01866	2.5
55.05511	16.6
57.03444	5.2
57.07081	7.1
57.11907	0.6
59.04995	0.5
65.03941	3.4
67.05508	50.6
69.03436	2.2
69.07072	14.5
71.01376	0.6
71.05001	3.5
71.08634	4.1
71.53578	0.9
71.53973	0.8
72.20953	0.6
79.05499	23.6
81.03423	29.3
81.07063	51.1
83.04990	6.6
83.08144	1.0
83.08624	15.9
85.02916	12.7
85.06551	1.7
85.10176	2.1
89.92004	0.5
91.05486	22.8
93.07050	22.8
95.04974	16.9
95.08615	32.8
97.02893	0.8
97.06512	2.7
97.10188	5.6
99.08099	1.0
100.58325	0.6
103.05479	1.1
105.04572	1.1
105.07039	16.2
107.04965	3.8
107.08601	9.4
109.06517	3.7
109.10167	13.2
111.04450	0.8
111.08099	5.5
113.06018	1.0
115.05453	0.9
117.07037	2.3
119.08591	14.2
121.06517	1.5
121.10148	9.4
123.04435	6.5
123.08084	1.4
123.11716	6.0
125.09650	2.0
129.07014	5.5
131.08575	6.3
133.06538	1.1
133.10133	7.7
135.08096	0.8
135.11662	3.9
137.09579	1.3
137.13263	1.5
142.07793	1.8
143.08585	0.6
145.06509	0.6
145.10150	4.3
147.08073	1.6
147.11691	7.6
149.09637	3.8
149.13303	2.0
151.14870	0.8
157.10139	4.9
159.11711	1.0
161.13329	2.0
163.11217	2.5
163.14832	1.6
165.12796	1.4
171.11710	0.9
173.09668	1.4
175.11205	6.1
175.14806	1.3
180.41267	0.6
189.11255	0.8
189.12846	1.6
192.12944	0.6
193.12259	23.9
199.14809	0.6
207.13814	1.5
211.13295	27.3
217.12294	0.8
223.13359	0.6
227.12782	0.7
235.13277	7.9
239.23820	1.1
245.22794	1.2
263.23752	3.5
267.15921	6.3
276.33157	0.6
285.17053	0.7
291.16144	1.0
301.25201	0.6
303.26984	0.6
319.26526	0.8
337.27325	4.5
437.34158	1.3
455.35339	2.1
473.36484	1.2
515.38354	0.9
529.38916	10.6
547.40027	100.0
548.40326	0.9
559.77356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01870	2.3
55.05514	16.9
57.03223	0.5
57.03442	5.4
57.07087	4.2
65.03938	3.3
67.05508	59.1
69.03445	2.4
69.07071	14.7
69.48514	3.9
71.05001	4.5
71.08630	1.9
79.05497	24.9
80.91113	0.6
81.03423	30.3
81.07061	53.7
82.97218	0.5
83.04986	7.2
83.08624	17.8
85.02908	15.9
85.06551	1.4
85.10178	1.2
91.05487	24.7
93.07048	23.4
95.04974	17.1
95.08610	36.1
97.02895	1.3
97.06524	3.4
97.10180	6.1
99.08104	1.4
103.05481	0.6
105.04507	0.8
105.07036	17.3
107.04974	3.4
107.08604	11.9
109.06522	3.3
109.10162	13.5
111.04456	1.1
111.08083	6.0
111.11710	1.1
113.06008	1.4
115.05527	0.8
117.07008	2.6
119.08582	15.4
120.36594	0.5
121.06507	1.4
121.10151	10.5
123.04438	1.9
123.08089	1.1
123.11705	6.5
125.05977	0.6
125.09652	2.3
129.07007	5.7
131.08574	7.7
133.06506	1.1
133.10136	9.9
135.08073	1.3
135.11693	4.9
137.09654	0.9
137.13281	1.9
139.11214	0.6
142.07819	1.0
143.08546	1.2
145.10136	3.4
147.08095	1.7
147.11693	9.2
149.09610	4.2
149.13274	3.1
151.14915	0.7
157.10132	5.8
159.11687	0.9
161.13309	2.4
163.11224	1.9
163.14876	1.8
165.12804	1.9
171.11729	1.2
173.09659	0.8
173.13335	1.4
175.11221	5.8
175.14861	1.9
177.16406	1.0
183.11763	0.9
185.13275	1.3
187.14891	0.7
189.16454	1.3
193.12251	25.3
203.18163	0.6
207.13898	1.3
211.13300	30.4
227.12872	1.4
235.13362	2.3
236.84462	0.5
245.22708	1.4
249.14973	0.7
263.23743	3.5
267.15970	7.2
285.17102	0.6
287.23480	1.0
303.26886	1.4
305.24921	0.8
319.26398	0.9
337.27319	4.7
343.26584	0.6
437.34171	1.4
455.35397	2.9
473.36401	1.5
529.39014	13.3
547.40015	100.0
548.40643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01878	2.2
55.05514	18.0
57.03439	5.8
57.07080	4.2
59.04998	0.5
65.03939	2.6
67.05508	56.7
69.03435	2.1
69.06723	0.9
69.07074	14.6
69.24725	5.5
71.05002	3.4
71.08630	1.8
79.05496	24.7
81.03422	31.0
81.07059	58.4
83.04986	5.9
83.08139	1.1
83.08620	18.6
85.02909	15.5
85.06544	2.2
85.10183	0.8
91.05481	25.9
93.07050	22.5
95.04972	17.2
95.08611	35.8
97.02872	1.0
97.06536	4.7
97.10182	5.8
97.58767	0.6
99.08125	1.7
105.04465	0.7
105.07031	18.8
107.04961	3.4
107.08602	11.6
109.06524	2.6
109.10163	14.2
109.10915	0.7
111.04452	1.7
111.08087	6.3
111.11736	0.9
113.05984	1.2
113.09638	0.6
115.05431	1.0
117.07001	3.0
119.08578	14.5
121.06516	2.0
121.10152	10.0
123.04466	1.7
123.08064	1.8
123.11720	6.2
125.09634	3.5
127.11210	0.7
128.06235	0.7
129.07011	4.9
131.08559	7.0
133.06534	1.3
133.10135	10.6
135.08083	1.2
135.11697	5.5
137.09639	1.3
137.13249	2.3
141.07069	0.5
142.07820	2.0
143.08571	1.3
145.10120	3.2
147.08047	1.4
147.11688	10.5
149.09621	3.7
149.13275	2.7
151.11205	0.7
153.12724	0.5
157.10127	7.0
159.11716	1.7
161.13287	2.0
163.11215	1.2
163.14900	1.7
165.12807	2.0
171.11713	1.2
171.69212	0.6
173.02592	0.6
173.13306	1.0
175.11188	6.8
175.14851	2.1
177.12793	0.7
177.16454	1.0
185.13220	0.6
187.13297	0.7
187.14839	1.0
189.11226	1.1
189.16396	1.9
193.12248	29.3
203.18001	0.7
211.13292	30.4
227.12807	1.9
235.13345	1.1
245.22757	1.7
249.14793	1.1
263.23651	4.0
267.15921	6.3
285.17029	1.4
303.26895	1.5
319.26321	0.9
337.27335	4.9
343.26273	0.7
423.03421	0.5
437.34198	2.1
455.35251	3.6
473.36179	1.9
499.94836	0.6
529.38965	16.1
547.39948	100.0
548.40259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
53.46879	1.4
55.01866	3.9
55.05511	17.2
57.03425	5.0
57.07066	6.7
65.03939	1.8
67.05507	56.0
67.60952	1.5
69.03418	1.9
69.07072	15.3
69.64723	2.3
69.65131	8.6
71.05002	3.4
71.08635	3.5
79.05058	2.5
79.05499	30.4
81.03419	31.0
81.07059	56.1
83.04980	6.4
83.08617	16.0
85.02914	15.2
85.06540	2.9
85.10178	1.5
91.05483	21.8
93.07046	24.9
95.04971	14.8
95.08609	33.3
97.06548	3.7
97.10179	7.2
98.20817	2.2
105.07042	19.7
107.04948	2.8
107.08593	14.0
107.79489	1.5
109.06528	3.5
109.10147	14.3
110.19042	1.4
111.08087	6.0
113.06028	1.7
117.07034	3.6
119.08586	17.1
121.06514	1.8
121.10123	12.8
123.04404	2.9
123.11713	7.6
125.09647	4.3
129.07021	6.0
131.08543	7.3
133.06549	1.7
133.10130	13.4
135.08028	2.6
135.11729	5.8
137.13251	2.4
143.08580	1.5
145.10114	4.7
147.08029	2.2
147.11688	9.4
149.09624	3.7
149.13301	2.8
153.29469	1.4
157.10152	6.8
159.11713	1.7
161.13316	1.5
163.11169	2.3
165.12811	2.8
175.11179	7.0
175.14844	2.2
193.12257	24.8
211.13293	27.8
235.13400	4.1
247.16574	1.5
263.23776	4.4
267.15930	6.1
337.27438	5.1
362.96909	1.6
437.34235	2.0
529.38751	12.1
547.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01852	1.3
56.05045	8.1
64.31750	0.4
64.81187	0.3
65.03903	0.3
67.05501	0.6
68.05034	0.4
68.99771	0.7
69.03418	0.4
69.68179	2.1
70.29009	0.4
71.68443	0.3
77.03897	0.3
79.05481	0.8
81.03395	0.8
81.07036	0.4
82.06583	3.2
83.01311	0.5
84.68668	0.4
85.02882	0.5
87.54748	0.4
91.05460	1.1
94.06528	0.6
95.04930	0.9
97.02858	0.8
98.21400	0.5
98.81254	0.4
98.97535	0.4
103.05457	0.8
105.03356	1.1
105.07024	0.6
107.04964	0.8
109.02851	0.6
110.06046	0.7
115.05447	0.4
118.06539	0.6
119.04958	2.2
120.08099	0.4
121.02875	0.3
121.06464	0.9
122.06010	0.8
122.72063	0.4
123.04443	17.9
124.07578	0.5
125.02358	0.8
127.03901	0.3
128.06262	0.5
129.06989	1.1
131.04903	0.8
133.06464	0.8
134.06021	1.7
135.04381	1.2
136.07539	1.2
139.03917	3.1
140.07103	0.4
141.01759	0.4
141.07042	0.8
142.08649	0.3
143.08572	0.7
145.06491	0.5
146.06004	1.3
147.04424	5.6
148.03922	0.6
148.07588	1.9
149.05974	1.2
150.05516	2.8
150.52116	0.3
151.03920	19.0
152.06065	0.4
153.06975	0.9
155.08513	0.5
157.06468	0.7
159.04465	0.6
161.05980	1.7
162.05460	1.3
163.03944	3.7
164.07051	1.3
165.05531	4.6
165.06906	0.8
167.07158	0.6
167.08572	1.8
169.06479	0.4
171.08043	0.6
173.05933	1.3
174.05531	6.2
175.03923	2.3
175.07491	1.0
176.07098	0.5
177.05502	5.4
177.06900	0.7
178.07762	0.4
179.08624	1.0
181.04959	0.8
181.06477	0.9
183.08081	1.1
185.05965	1.8
187.03911	1.1
187.07532	1.0
189.05505	1.6
192.06561	1.0
193.04968	0.8
193.06514	0.5
194.08165	0.6
195.08122	1.7
197.05975	2.7
197.09694	0.6
199.03880	0.6
199.07570	0.9
200.07091	0.5
201.05579	0.8
202.08698	0.4
203.07002	1.2
205.04903	0.6
207.08034	1.0
209.05930	0.8
210.07091	0.4
211.04068	0.5
211.07559	2.4
213.05444	0.9
213.09114	0.5
215.07098	1.7
217.05048	0.6
218.07951	0.4
220.09601	0.8
221.05949	0.6
223.07553	2.8
225.05481	1.3
225.09135	1.2
227.07021	2.0
228.08629	0.9
229.08656	0.7
231.06590	0.8
232.09927	0.3
235.07571	0.8
237.05504	1.5
239.07106	2.8
241.04970	1.5
241.08711	1.6
243.06570	2.3
249.05489	1.9
251.07060	3.9
253.04950	1.0
253.08623	2.4
254.08101	0.4
255.06520	1.6
257.04428	0.6
257.08228	1.0
258.09732	1.5
259.06055	0.7
261.07669	1.0
265.04959	1.2
267.06546	2.5
269.08133	3.3
271.06039	0.5
271.09561	0.7
273.07593	0.9
279.06586	1.4
280.09720	0.4
281.05283	0.3
281.08188	1.9
283.05978	2.3
285.07635	4.4
287.05582	0.8
287.08966	0.6
295.06000	2.6
296.09406	0.7
297.07657	1.9
298.10803	0.5
303.08646	1.6
306.07419	0.4
307.06027	1.0
309.07715	0.6
311.09244	0.4
313.07138	1.0
314.10355	0.4
315.08734	1.0
317.10208	0.4
323.07687	1.8
324.08688	0.6
325.07129	0.9
331.08273	0.8
333.09793	2.1
335.07544	0.5
343.08047	3.4
360.10703	2.0
361.09357	1.1
378.12152	1.6
385.09094	0.5
390.12195	0.6
396.12933	100.0
397.13284	0.5
397.41263	0.4
408.13086	1.3
498.18814	0.5
512.15668	1.5
528.71344	0.4
530.16431	3.2
548.17676	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01883	0.4
55.05505	0.6
57.03435	0.8
57.07078	20.1
61.02906	0.4
65.03938	0.4
67.05504	0.9
68.99802	0.4
69.03425	2.6
69.07065	0.9
71.04987	0.9
71.53391	0.4
73.02923	0.6
78.74992	0.3
79.05490	1.1
81.03422	2.0
81.07090	1.6
81.54188	0.4
83.04973	0.5
85.02909	4.4
85.06548	13.3
91.05470	1.1
93.07043	1.8
95.04967	1.4
95.08611	1.3
97.02905	2.6
97.06536	1.4
97.10175	0.6
99.04459	1.0
103.05516	0.5
103.07587	0.6
105.07031	1.6
107.04972	0.6
107.08595	1.4
109.02866	2.5
109.06507	0.8
109.10173	1.2
111.00816	1.0
111.04440	0.4
111.08090	0.3
114.86456	0.3
115.03918	0.4
117.07008	0.5
119.08590	1.0
121.02848	1.0
121.06445	0.5
121.10146	0.8
123.04427	1.3
123.08025	0.4
123.11707	0.6
127.03930	3.8
129.06955	0.4
131.02934	0.4
131.04938	1.0
131.08615	0.4
133.06468	0.5
133.10129	1.4
135.04373	0.5
135.08092	0.4
135.11714	0.5
137.02345	3.4
137.03331	0.5
137.05984	2.2
137.09540	0.5
139.03896	1.8
145.04935	2.1
145.06569	0.6
145.10167	0.6
147.04411	1.2
147.11752	0.6
149.02303	0.5
149.09618	0.5
151.03888	0.7
151.07532	0.4
153.01833	3.7
157.10161	0.4
159.11707	0.7
161.05968	0.7
161.09581	0.9
163.03932	1.2
163.11157	0.4
165.01852	2.0
165.05513	0.9
165.09093	0.4
167.07030	1.0
167.10542	0.5
169.08653	0.5
171.08125	0.3
171.11632	0.4
173.06052	0.9
173.13310	0.5
175.07550	0.5
175.14975	0.4
177.05455	0.6
177.12970	0.3
179.03445	0.6
181.05061	0.4
183.02902	0.6
189.09142	0.6
191.07060	0.6
201.05489	1.4
201.09105	0.6
205.05162	0.4
217.08543	0.4
219.10191	0.7
219.17450	0.5
229.04990	3.6
229.10680	4.4
247.06070	0.9
247.11789	3.6
257.04398	3.0
285.03903	1.2
291.10489	0.4
303.04996	100.0
304.05219	0.5
326.03162	0.4
329.16080	0.5
369.13364	0.6
502.97693	0.5
549.20612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
55.05479	1.0
57.03419	1.5
67.05448	0.9
69.03443	5.3
69.77589	0.6
70.06512	0.6
71.04947	1.2
71.54515	1.2
73.02846	0.8
74.18466	0.6
75.61274	0.6
79.05462	1.4
79.26216	0.6
81.03371	2.5
81.07004	1.9
83.04911	0.8
83.53506	0.6
85.02908	15.5
91.05434	1.7
91.89745	0.7
93.07007	0.9
94.06544	0.8
95.04915	1.1
95.08541	0.9
97.02895	4.5
99.04389	1.3
101.02377	0.6
105.06985	2.4
107.08540	2.9
109.02823	2.1
109.06488	1.7
109.10080	1.6
119.08563	1.0
120.08039	0.8
121.06445	1.9
121.10098	1.8
123.08070	6.2
125.05943	1.0
127.03889	4.6
127.29710	0.6
132.31136	0.7
133.10121	1.0
135.07988	1.0
137.05919	2.7
137.09508	1.2
139.03867	0.8
145.04973	4.4
145.10025	1.0
147.11659	1.4
149.09587	1.6
151.03900	0.7
151.07550	7.2
151.11191	1.1
161.13293	0.7
162.05428	0.9
163.06107	0.8
163.11131	2.7
165.09117	1.9
165.12776	1.1
167.06966	1.5
171.11638	0.8
177.12697	1.6
181.12149	1.3
189.07565	0.7
189.12718	2.9
196.11192	0.8
197.10660	2.0
198.07884	1.6
198.11566	1.4
199.08672	11.0
201.00760	0.7
201.10217	1.0
207.13837	13.9
209.15311	1.5
211.08661	10.0
211.12112	1.0
212.09448	4.5
213.10217	11.1
214.07361	1.8
214.10930	3.4
223.13330	1.6
224.13405	0.8
225.06763	0.7
225.10201	14.0
225.14922	4.9
226.07382	13.0
226.10834	4.4
227.08165	16.6
227.11665	5.4
228.08856	0.8
239.08115	1.2
239.11760	6.0
240.08984	3.4
240.12555	4.2
241.09727	16.9
241.13354	1.9
242.10507	13.7
242.13144	0.9
242.13965	0.9
243.11333	0.9
251.07994	0.9
251.11794	1.0
252.09903	0.7
253.06084	1.0
253.09702	8.7
254.10431	2.5
255.11322	13.2
257.10376	1.2
257.12881	18.0
267.07648	0.7
267.08160	0.9
267.11273	11.1
268.08490	2.1
268.12070	13.9
269.09253	2.2
269.12738	3.9
271.10770	0.9
273.12262	1.0
279.11166	1.3
280.12140	1.9
281.09238	2.0
283.10818	1.5
284.11588	1.8
285.12302	4.9
286.09482	1.5
286.13019	2.6
295.10727	7.7
296.11551	12.4
297.12408	3.3
298.13116	1.4
299.10318	1.9
300.11053	1.7
301.11725	0.8
313.11823	30.9
313.15469	1.6
314.12640	16.2
315.13220	1.4
319.02762	0.7
323.10269	1.2
324.10959	0.9
341.11267	4.6
342.12119	59.1
345.14249	1.3
354.14206	0.9
373.13950	6.7
374.14532	2.3
383.12439	1.2
387.19824	1.7
401.09790	2.6
411.11819	1.9
413.13031	0.8
417.12936	1.1
425.13730	0.8
429.12994	2.8
433.16104	1.2
443.14822	4.6
455.14587	1.4
457.12305	3.7
471.14191	4.0
473.15622	4.0
475.13791	0.9
487.81100	0.8
489.15039	27.3
499.13452	2.5
517.14557	100.0
518.15198	0.8
531.15814	1.8
549.17163	76.4
549.24994	5.5
550.17261	1.3
574.79895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01867	3.5
55.05516	2.6
57.03239	0.9
57.03446	9.4
57.07076	1.9
57.62940	0.9
59.05005	1.7
61.02909	11.0
62.32519	0.8
66.03733	1.0
67.05510	4.4
69.03436	33.3
69.07070	2.0
70.48729	1.8
70.49094	2.0
71.04990	5.3
73.02913	3.2
79.05491	3.6
81.03431	13.7
81.07059	5.2
83.04986	4.0
83.08627	1.6
85.02914	100.0
85.06539	1.2
85.13203	0.8
87.04478	5.1
91.03970	5.1
91.05484	4.1
93.07053	3.9
95.04960	2.6
95.08620	7.0
97.02291	2.1
97.02909	36.9
97.06529	7.0
98.97561	1.1
99.04485	7.5
105.07032	10.5
107.04948	1.4
107.08595	6.6
108.05748	1.3
109.02894	11.4
109.06531	9.7
109.10184	3.6
111.04466	3.0
111.08065	2.0
115.03930	1.2
119.04982	1.1
119.08593	5.2
121.06522	2.8
121.10152	6.4
123.04426	1.3
123.08086	42.6
125.06007	4.0
127.03926	23.5
129.05573	1.1
131.08575	4.1
133.06525	4.8
133.10162	7.0
135.08087	1.8
135.11731	2.6
137.05981	6.1
143.08546	2.1
145.04974	40.7
145.10167	4.0
147.08113	1.2
147.11726	3.7
149.09621	3.6
151.07556	65.5
151.11133	1.7
153.09129	4.6
160.05104	1.7
161.13292	2.5
163.06024	6.3
163.11191	15.7
163.14854	2.7
165.09102	2.7
171.06534	2.5
171.11542	1.3
173.13229	2.4
174.10480	1.7
181.12251	11.4
189.05185	1.3
189.07637	2.2
189.12753	18.7
191.14336	8.2
192.07617	1.2
192.11507	2.9
201.12662	0.9
203.62494	0.9
207.13826	77.1
209.15344	11.9
223.13368	2.7
225.12613	1.1
225.14879	22.5
257.13748	3.3
261.78326	1.0
295.07037	1.0
302.10217	2.4
351.18097	2.3
369.19202	4.8
369.64990	1.3
387.14868	1.8
387.20197	20.8
517.14868	1.2
531.24103	1.4
549.19019	8.4
549.26099	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09876	1.0
52.77056	1.1
53.03942	3.8
53.28246	0.9
55.01863	4.4
55.05518	1.4
57.03425	6.9
59.05008	1.9
61.02896	10.4
67.05499	4.1
69.03432	26.7
69.07097	1.8
71.04981	3.7
71.54987	1.7
73.02916	4.8
74.98407	1.0
79.05489	2.9
81.03416	13.2
81.07086	5.8
83.01352	1.2
83.04987	3.0
83.08616	1.2
85.02907	100.0
85.06529	1.6
87.04456	3.9
91.03955	6.0
91.05496	3.4
93.07043	3.4
95.04974	2.3
95.08603	8.5
97.02895	33.5
97.06540	3.6
99.04466	5.8
99.05025	1.0
105.07044	7.3
107.04915	1.5
107.08594	4.2
109.02885	12.7
109.06499	8.3
111.04477	1.7
119.08573	2.7
121.06511	3.6
121.10162	5.9
123.08073	47.6
125.05997	2.4
127.03925	28.2
131.08527	2.5
133.06480	4.5
133.10130	5.3
135.08066	2.6
135.11710	1.3
137.05975	3.5
137.09589	1.3
138.78734	1.2
143.08589	1.5
145.04962	39.5
145.10100	2.6
147.08138	1.4
147.11674	3.2
149.09615	5.0
151.07544	80.5
153.09138	3.4
161.13318	1.7
163.06055	7.1
163.11174	19.8
163.14914	1.2
165.09105	3.0
165.12817	1.7
167.07008	1.6
171.11699	1.4
173.13194	1.7
174.10368	1.6
177.12674	1.8
181.12241	10.6
189.07622	3.0
189.12752	17.7
191.14314	5.4
199.08693	3.9
207.13811	79.1
209.15404	9.1
211.08731	4.0
212.09352	1.3
213.10231	4.3
214.11002	2.0
223.13274	4.7
225.08191	1.9
225.10088	6.9
225.14902	17.7
226.07423	4.9
226.10986	2.3
227.08150	7.8
227.11813	1.7
239.11797	2.5
240.08963	1.7
240.12422	1.9
241.09731	7.6
241.13248	1.1
242.10558	8.7
253.09624	2.7
254.10457	1.7
255.11327	4.0
257.12857	9.7
267.11310	5.4
268.08850	1.2
268.12027	7.2
269.12921	1.9
285.12381	2.7
295.10751	2.4
296.11551	4.7
297.12201	1.4
299.10239	1.5
303.10397	1.1
313.11859	16.5
314.12631	7.7
341.11368	1.6
342.12115	25.7
369.18991	4.3
373.13882	3.5
381.41440	1.2
387.20062	12.5
388.57281	1.3
401.09564	2.1
419.22156	1.6
429.12784	2.0
443.14728	1.3
457.12143	2.0
489.15131	11.7
517.14532	46.5
531.24384	6.0
549.17114	34.8
549.25244	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01877	2.8
55.05519	3.4
57.03439	7.9
57.81168	1.5
60.69488	1.7
61.02893	11.1
63.34838	1.6
67.05500	2.9
69.03078	2.3
69.03432	30.0
69.07062	2.4
70.71073	5.0
71.05002	3.9
73.02915	4.9
78.99180	1.6
79.05495	4.5
81.03413	11.5
81.07039	8.1
82.52613	1.4
83.04979	2.7
85.02907	100.0
87.04472	5.1
91.03951	4.8
91.05484	4.5
93.07055	5.7
95.04986	3.9
95.08598	6.2
97.02892	38.0
97.06544	5.4
99.04483	7.9
105.07037	9.0
107.08612	8.0
108.05724	1.6
109.02887	10.1
109.06534	6.8
109.10124	2.9
109.85924	1.5
111.08107	1.9
119.08517	4.2
119.22568	1.6
121.06504	5.5
121.10133	5.9
121.48487	1.6
122.07249	2.8
123.08070	55.5
125.06005	2.5
127.03926	27.7
131.08597	3.6
133.06519	3.1
133.10138	8.0
135.08110	2.2
135.11694	2.3
137.06004	4.8
145.04955	43.7
145.10156	3.0
147.11702	3.5
149.09619	4.4
151.07549	83.7
151.11162	2.0
153.09099	4.6
154.50586	1.6
156.09343	1.6
163.06007	9.9
163.11163	17.7
163.15038	1.7
165.09195	2.1
169.08606	2.0
171.11665	2.1
174.10442	1.8
177.12788	2.8
179.14311	1.6
181.12262	9.4
189.07588	3.8
189.12712	19.0
191.14275	5.9
199.08693	7.1
205.12114	2.0
207.13814	79.4
209.15390	10.1
211.08638	6.7
212.09468	4.0
213.10275	6.8
214.10999	4.1
223.13272	5.0
224.13490	1.8
225.10245	11.2
225.14934	17.0
226.07359	11.8
226.10776	4.2
227.08191	13.5
227.11710	3.7
239.11914	2.7
240.08984	2.8
240.12666	2.9
241.09715	13.5
242.10532	7.2
253.09755	6.5
254.10638	2.3
255.11415	8.8
255.13577	1.7
257.12878	16.1
267.11206	8.1
268.12134	6.7
269.09082	1.9
285.12418	3.5
295.10812	5.8
296.11627	8.0
297.12158	2.0
313.11801	20.5
314.12570	9.4
341.11337	2.3
342.12079	35.9
369.19064	7.5
373.14044	3.7
374.14529	3.2
382.01547	1.6
387.20166	14.6
443.14362	3.3
457.12509	1.9
489.15106	18.8
517.14563	67.2
531.16949	2.1
531.24316	8.6
549.17010	57.2
549.25281	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01871	1.8
55.05513	24.7
57.03444	5.4
57.06871	0.5
57.07079	6.3
65.03932	1.4
67.05507	35.1
69.03443	2.9
69.07070	29.3
70.11009	2.8
71.05000	3.9
71.08637	2.8
79.05494	17.9
81.02927	0.7
81.03422	30.4
81.07058	33.5
83.04977	5.2
83.08620	26.8
83.09125	1.3
85.02907	14.2
85.06557	1.8
85.10163	1.5
91.05484	14.9
93.07048	14.8
93.99286	0.6
95.04968	13.6
95.05566	1.0
95.08607	28.4
97.02901	1.7
97.06548	2.8
97.10171	11.1
98.20818	0.7
98.61446	0.5
99.08111	1.8
105.07030	11.7
107.04960	2.4
107.08598	9.6
109.06527	1.9
109.10158	11.9
111.04437	1.0
111.08081	5.7
111.11716	2.4
113.06031	1.4
115.05431	0.9
117.07036	0.9
119.08572	9.0
121.06474	0.9
121.10137	11.5
121.11012	0.6
123.08060	1.2
123.11677	4.2
125.09628	1.3
129.07014	4.2
131.08566	5.6
133.06522	1.5
133.10139	5.3
135.11700	4.6
137.09647	1.0
137.13246	0.9
142.07790	1.4
145.10138	1.1
147.08058	1.6
147.11687	7.1
149.09657	3.1
149.13263	2.7
151.11188	1.7
157.10117	5.1
163.14830	1.3
165.12811	1.6
175.11180	5.8
177.16451	0.9
193.12248	28.9
211.13292	34.4
217.19501	0.7
238.34811	0.6
247.24257	1.2
249.14908	1.0
253.14397	2.0
265.25235	5.9
267.15912	6.3
285.17029	0.7
339.28961	5.8
346.79630	0.7
457.36859	2.2
531.40906	5.1
532.92023	0.7
549.41522	100.0
550.41351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01864	1.2
55.05512	24.6
55.61207	0.7
57.03435	5.7
57.07072	6.5
65.03931	1.9
67.05506	32.0
68.29894	0.7
68.46740	0.7
69.03440	1.4
69.07071	28.4
71.04997	3.7
71.08622	2.9
79.05495	22.0
81.03421	31.5
81.07059	38.0
83.04991	4.7
83.08622	26.4
85.02906	14.4
85.06544	2.3
85.10184	1.7
87.87280	0.6
91.05485	17.7
93.07048	20.3
95.04970	14.1
95.08609	26.9
97.02881	2.4
97.06529	2.9
97.10172	10.8
98.20710	1.6
99.08096	1.1
105.04573	0.6
105.07037	12.2
107.04945	2.7
107.08601	9.4
109.06498	1.9
109.10163	10.9
111.04448	0.9
111.08100	6.4
111.11709	2.8
113.06035	1.2
117.07001	1.0
119.08597	9.4
121.06540	0.9
121.10148	13.3
123.08057	1.7
123.11684	3.3
125.09619	1.2
129.06992	5.4
131.08585	5.1
133.06532	1.1
133.10132	4.8
135.11693	8.3
137.13268	1.3
142.07787	1.3
145.10112	1.3
147.08110	1.7
147.11697	7.7
149.09599	3.2
149.13284	1.9
151.14894	0.7
153.12793	0.9
157.10120	5.9
163.11276	0.9
165.12738	1.7
165.16374	0.7
175.11197	7.2
193.12254	28.6
211.13290	33.1
247.24281	1.0
249.14954	1.3
265.25327	5.9
267.15897	7.6
285.16931	1.0
339.29007	7.9
409.26294	0.7
457.36752	1.9
490.47137	0.7
531.40466	7.2
549.41522	100.0
550.41931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01874	1.3
55.05512	27.8
57.03440	5.6
57.07075	7.5
65.03937	1.6
67.05505	31.2
67.07204	0.5
69.03424	2.1
69.07068	28.7
71.05009	2.9
71.08651	2.9
74.17995	0.5
77.03933	0.7
79.05495	17.5
81.03418	33.1
81.07055	33.1
83.04985	5.7
83.08621	26.0
85.02905	14.7
85.06536	2.3
85.10193	1.7
88.14845	0.5
91.05481	15.4
93.07044	15.0
95.04971	12.5
95.08606	28.1
97.02906	1.6
97.06532	3.4
97.10167	10.4
99.08095	1.6
105.07035	11.8
107.04966	2.5
107.08592	9.5
109.06516	2.6
109.10158	9.6
111.04445	1.0
111.08069	5.8
111.11726	2.1
113.05999	1.5
113.09635	1.0
117.07021	0.9
119.08572	11.3
121.06454	0.8
121.10142	10.8
123.08070	1.4
123.11679	3.2
125.09632	0.9
125.13239	0.7
129.06963	4.5
131.08560	4.8
133.06491	0.8
133.10100	4.4
135.11705	4.2
137.09621	1.3
142.07779	1.4
145.10147	1.1
147.08064	1.7
147.11684	5.8
149.09613	2.4
149.13261	2.4
151.14879	1.3
157.10146	7.3
163.14786	0.8
165.12767	1.3
171.11687	0.5
175.11188	5.7
191.18134	0.7
193.12245	28.5
195.73811	0.5
211.13293	30.9
247.24277	2.2
249.14970	1.2
265.25305	5.0
267.15872	6.5
295.10458	0.6
339.28952	4.5
457.36725	1.8
513.59552	0.6
527.89960	0.7
531.40558	5.8
549.41510	100.0
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
50.90645	0.5
55.05495	2.1
57.07072	0.9
59.59500	0.5
61.02911	0.5
67.05511	3.3
69.03418	2.6
69.07071	3.4
71.04982	1.6
71.54930	0.6
71.55271	0.7
72.08142	1.0
74.60179	0.5
77.83572	0.5
79.05490	1.1
81.03452	0.5
81.07062	5.8
83.04993	3.1
83.08604	2.3
85.02908	2.9
85.06535	1.5
91.05475	1.4
93.07038	3.5
93.59721	0.5
95.04967	1.1
95.08603	10.8
97.02895	1.2
97.10172	1.1
98.97583	0.8
99.04411	0.6
99.08089	1.6
105.07023	4.0
107.08596	7.0
109.06517	3.3
109.10156	36.0
111.08054	1.8
113.09634	0.9
119.08583	14.8
120.08096	1.0
121.10147	5.0
123.08063	5.0
123.11723	2.6
131.08638	0.7
133.10139	10.8
135.11694	38.4
136.07574	1.9
137.05972	0.8
137.08659	0.8
137.09616	9.2
139.11122	0.8
147.11691	1.1
149.13284	2.9
151.11185	2.7
151.14821	3.9
153.08932	0.5
153.12752	1.1
161.09621	2.0
163.11180	0.7
165.05457	0.8
165.12695	0.7
165.16412	1.0
167.06944	1.4
175.13303	1.0
175.14835	18.6
182.08130	1.1
193.15883	32.1
193.74142	0.6
198.76759	0.5
206.04535	0.9
207.08080	1.0
211.16933	100.0
212.17213	0.5
221.15276	0.6
297.60031	0.7
338.07315	0.6
367.08231	0.7
373.22189	9.0
404.10480	1.3
410.09778	0.6
449.18024	0.6
550.21454	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	550.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.05507	2.0
55.31689	0.5
57.03429	0.7
59.04998	0.8
59.82603	0.5
59.94194	0.5
67.05509	4.7
69.03432	2.6
69.07075	5.1
70.06600	0.6
70.54790	0.8
70.55127	0.8
71.04991	1.3
72.08157	0.6
79.05489	1.2
81.03430	0.9
81.07061	5.6
83.04565	0.5
83.04987	3.4
83.08614	2.4
85.02915	2.6
85.06547	1.2
91.05497	1.7
93.07039	2.6
95.08615	11.1
97.02901	1.2
97.06555	0.9
97.10169	1.1
98.20862	0.5
98.97586	1.1
99.04456	0.9
99.08092	1.5
105.07047	3.8
107.08607	8.1
109.06537	3.4
109.10168	37.9
111.08083	1.9
113.09650	0.5
119.04910	0.8
119.08598	15.5
120.08101	1.6
121.10166	5.9
123.08074	5.6
123.11702	3.4
125.09628	0.8
127.03931	0.8
133.10143	10.2
135.11708	40.7
136.07579	1.9
137.05988	0.8
137.09624	8.1
139.11143	0.9
147.11736	0.8
149.13263	2.8
151.11232	3.6
151.14835	5.1
153.12778	1.1
161.09616	1.1
165.12791	0.8
165.16408	1.5
166.08704	0.7
167.07057	1.3
175.14841	19.1
178.04987	1.0
179.10715	0.6
182.08168	1.0
189.09164	0.7
193.15895	36.3
211.16951	100.0
212.17242	0.7
280.64493	0.5
297.59766	0.5
322.07828	0.6
337.07043	0.7
338.07404	0.8
344.97839	0.5
351.14258	0.5
368.08414	0.7
373.22235	8.2
380.08591	0.6
392.08707	0.6
404.10568	0.9
410.09357	0.7
514.14355	0.8
550.22205	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	550.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28844	2.2
55.05501	5.1
57.07043	2.9
57.61453	2.2
67.05489	6.8
69.07054	7.6
69.48225	16.4
77.30711	1.9
79.05484	7.8
81.07050	13.4
83.08603	2.6
91.05454	6.6
92.57369	2.3
93.07031	9.7
95.04988	3.6
95.08597	25.0
97.06519	2.8
98.21526	4.4
105.07027	9.9
107.08581	21.7
109.10178	14.9
111.08067	4.2
112.37902	2.2
119.08569	25.3
121.10147	16.6
123.08061	3.4
123.11694	20.7
133.10132	37.9
135.11725	20.9
137.13228	6.5
139.07510	6.6
147.11700	13.4
149.13216	7.8
159.11693	6.3
161.13252	8.3
173.13239	6.3
175.11281	2.6
175.14809	7.9
179.10754	3.2
189.16391	43.7
191.14333	14.5
191.17909	4.0
207.17403	20.4
209.15388	7.4
217.15886	12.2
235.16920	100.0
253.17992	62.5
262.21573	5.2
280.19803	3.1
280.22729	30.5
298.23779	41.3
347.04260	2.5
410.47626	2.4
463.50220	2.3
550.30365	5.2
550.40631	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	551.1037
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	1.7
55.01880	1.5
55.93267	0.2
57.03433	1.0
61.02936	1.0
68.99796	1.4
69.03439	6.4
69.78565	0.8
69.78982	0.3
71.04996	0.8
73.02915	1.1
81.03426	7.1
83.01342	0.3
83.25834	0.3
84.78250	0.2
85.02914	10.1
87.00838	5.8
87.04471	0.3
91.03955	0.7
95.08561	0.3
97.02900	4.3
98.20810	0.3
99.04466	2.4
105.01869	2.7
107.08624	0.3
109.02895	6.0
111.00801	0.8
117.01867	1.4
121.02857	0.5
121.10149	0.3
123.04433	0.4
123.08060	0.2
127.03928	9.5
129.01860	0.7
135.04390	0.2
137.02367	2.6
139.34560	0.3
145.04973	2.9
147.02898	0.5
149.02330	0.4
153.01845	3.7
159.02904	4.9
161.05956	0.4
163.03954	0.5
165.01854	1.6
173.06018	0.3
183.02885	0.6
183.04453	0.3
187.03885	0.3
195.02928	0.4
201.05444	1.5
209.15379	0.3
227.16463	0.6
229.04970	3.9
231.05029	1.6
247.06039	0.8
257.04456	2.3
273.28363	0.3
274.04816	0.5
275.28949	0.3
285.00916	0.2
285.03903	1.2
303.05017	100.0
304.05356	0.5
480.59027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95221	1.0
63.22600	1.0
63.93029	1.1
67.05509	1.3
69.77726	5.3
77.88631	1.1
80.78483	1.1
81.03411	1.1
81.07024	1.2
82.03302	1.0
82.93910	1.0
88.85817	0.9
92.06960	1.1
98.20767	1.2
121.07504	1.0
136.41472	1.0
170.12637	0.9
207.67691	1.1
309.82001	1.0
342.04831	1.1
347.09720	1.4
372.33707	1.1
533.27051	1.2
548.51898	1.1
551.16333	6.7
551.26221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20612	0.8
55.05503	3.0
57.03453	1.1
61.02901	1.6
67.05505	2.1
67.18826	0.8
68.99792	1.0
69.03435	8.9
69.07063	3.8
71.04996	1.2
71.23171	1.3
71.23507	1.0
76.88469	0.8
79.05494	2.1
81.03421	2.1
81.07052	3.6
83.04992	4.4
83.08604	2.5
85.02924	6.7
91.05483	1.7
93.07063	4.1
95.04955	2.3
95.08605	5.0
97.02891	3.2
97.06506	1.2
97.10170	3.6
98.97594	2.0
99.08111	5.4
102.34586	1.0
105.07014	3.3
107.04913	0.9
107.08607	12.5
109.02871	0.9
109.06498	2.2
109.10163	5.7
111.08052	4.0
113.06035	0.9
119.08549	1.1
121.10151	7.5
123.04355	1.7
123.08055	1.5
123.11691	1.9
125.06010	2.1
125.09642	37.6
127.03894	3.3
131.04962	0.9
131.08475	1.0
133.10126	4.6
135.08037	4.1
135.11684	1.4
137.06030	1.5
137.09605	3.1
139.07552	1.6
139.11197	1.5
145.04979	2.0
145.10054	0.9
147.11710	3.0
149.09636	44.8
149.13268	4.7
151.11201	12.5
153.01862	1.6
153.09134	9.6
154.09920	1.6
160.05075	2.8
163.14842	4.6
165.12741	1.7
167.07051	0.9
173.13242	3.5
191.14317	22.4
192.07674	1.8
205.04611	1.1
207.10265	0.9
209.15385	100.0
219.01691	1.3
227.16452	22.2
279.07544	0.9
297.08722	1.7
321.08704	1.2
331.11426	0.8
371.20425	1.1
389.13129	1.9
533.17322	2.6
551.17255	3.4
551.23419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.05510	13.4
57.07075	9.6
65.03938	2.6
67.05505	30.0
69.07072	19.7
69.69479	4.1
69.69882	2.8
71.08637	1.8
77.03953	1.5
79.05057	2.1
79.05493	24.7
81.07056	41.7
83.08630	7.8
85.06547	2.7
91.04903	1.7
91.05479	43.4
93.07044	57.4
93.07635	2.7
95.04969	3.4
95.08611	44.3
97.06546	1.5
97.10163	1.9
98.21449	2.4
103.05471	3.9
105.04525	3.1
105.07033	67.9
107.08591	54.5
109.06522	3.0
109.10154	35.9
115.05466	4.0
116.06258	1.4
117.07019	13.6
119.08582	100.0
121.10143	52.9
121.11037	2.1
123.08092	3.1
123.11698	11.3
126.07146	1.3
126.56233	1.1
128.06212	7.4
129.07024	9.1
130.07809	6.3
131.07585	2.2
131.08572	30.2
133.10133	60.1
135.11688	35.1
137.09625	2.7
141.06976	6.6
142.07787	14.0
143.08545	24.3
144.09332	7.2
145.10126	63.6
147.11694	22.0
149.09616	1.9
149.13278	4.0
151.11179	1.2
153.06996	2.6
154.07722	1.6
155.08566	10.1
156.09344	10.6
157.10133	31.4
158.10947	5.9
159.11707	36.6
159.13031	2.0
161.13280	10.9
163.11221	3.0
165.07050	3.4
166.07784	1.4
167.08595	3.9
168.09390	3.7
169.10130	18.9
170.10889	6.6
171.11682	21.7
172.12476	3.0
173.13266	19.6
175.14827	35.1
179.08553	5.3
180.09384	4.1
181.10115	9.0
182.10889	5.4
183.11703	14.6
184.12485	2.1
185.13264	16.6
185.42500	1.3
186.14099	1.6
187.14818	15.1
189.16418	3.2
191.14270	1.7
192.09451	1.2
193.10104	7.6
194.10883	5.1
195.11655	10.9
196.12471	4.7
197.13223	18.9
199.14830	8.4
201.16383	14.5
205.10194	2.5
205.15929	1.4
206.10896	2.2
207.11646	7.5
208.12502	2.4
209.13254	14.1
210.13983	1.4
211.14883	9.7
213.16368	6.2
215.18010	2.4
217.10281	1.5
217.15831	1.3
219.11754	1.3
219.17476	4.0
220.12585	2.0
221.13202	7.6
222.13846	2.1
223.14851	9.0
225.16420	6.3
227.17981	2.5
228.44780	1.3
231.11755	1.8
233.13225	3.4
234.13861	1.3
235.14813	4.8
236.15785	1.4
237.16376	5.0
239.17903	3.8
241.19485	3.3
245.13298	3.2
246.14066	1.4
247.14743	3.0
249.16327	2.8
251.17972	3.5
253.19606	3.8
257.18921	1.3
259.14856	1.7
259.20514	2.1
261.16376	3.1
263.17844	2.8
265.19479	5.2
267.21124	6.0
273.16504	1.5
275.17859	1.8
277.19492	2.9
279.21008	2.8
281.22583	1.6
283.20593	3.4
285.22165	3.3
287.17969	2.1
289.19528	2.9
291.21124	2.5
319.24252	2.3
329.22601	1.5
333.25800	1.5
337.25354	1.7
345.25778	3.7
349.25253	1.6
359.27444	1.4
369.25696	1.4
429.31332	2.8
451.88153	1.3
459.35999	2.1
495.35907	1.7
533.41522	5.1
551.42450	33.4
552.42578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
53.69083	3.2
55.05495	11.1
57.07079	15.8
65.03942	4.4
67.05495	25.7
69.07069	20.5
71.08635	4.5
71.55117	5.6
71.55516	3.5
79.05499	19.9
81.07058	36.9
83.08609	10.5
83.89510	2.8
91.05483	35.8
93.07051	57.2
95.04994	5.8
95.08614	40.5
97.10201	3.4
103.05451	3.2
105.04555	3.0
105.07038	61.7
107.08593	54.0
107.20700	2.8
109.10152	37.5
116.72081	3.4
117.07016	15.2
117.09122	3.1
119.08583	100.0
121.10151	46.4
123.11698	19.4
127.18529	3.5
128.06184	4.7
129.06998	8.9
130.07759	6.1
131.08565	27.5
133.10123	51.7
133.95724	3.3
135.11703	38.7
142.07814	8.3
143.08549	24.2
144.09346	5.8
145.10117	67.4
147.11710	22.2
149.13255	4.9
155.08607	4.3
156.09343	10.9
157.10133	35.0
158.10913	4.9
159.11691	32.8
161.13301	9.3
163.14903	4.4
163.92619	3.4
165.06958	3.8
167.08609	6.6
169.10089	18.5
170.10918	5.8
171.11732	22.6
172.12451	5.5
173.13283	27.4
175.14815	41.8
179.08566	6.4
181.10165	9.0
182.10872	6.9
183.11691	13.0
185.13274	14.2
187.14841	17.5
189.16333	4.5
193.10155	8.1
194.10847	3.8
195.11676	11.5
196.12497	5.2
197.13216	19.7
198.14064	3.7
199.14819	11.8
201.16388	23.0
207.11659	6.0
208.12589	4.5
209.13248	12.2
211.14813	11.2
213.16315	3.6
219.11685	4.0
220.12463	5.7
221.13289	7.2
221.75267	3.8
223.14821	12.7
225.16466	7.8
235.14995	3.7
237.16315	5.0
239.18137	4.8
241.19524	3.9
249.16379	4.9
251.18094	4.1
253.19450	4.8
257.19156	3.7
261.16452	4.2
263.17941	5.2
265.19470	5.7
267.20987	6.6
280.55127	3.5
285.22208	5.8
289.19431	4.3
297.21994	3.6
327.07901	7.6
345.25934	4.7
383.13986	4.3
495.26379	10.7
495.36142	3.8
551.42358	43.6
551.49927	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	551.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01875	1.2
55.05513	12.4
57.03437	4.5
57.07078	27.5
60.00925	0.9
65.03960	1.1
67.05509	22.8
69.03436	1.5
69.07070	8.6
69.73331	3.8
71.04993	2.6
71.08636	19.5
79.05494	10.7
79.94509	0.7
81.03422	28.9
81.07063	22.9
82.03764	0.8
83.04984	6.8
83.08627	14.6
85.02910	14.7
85.03381	1.5
85.06547	1.3
85.10194	10.3
91.05486	13.1
91.14838	0.7
93.07050	6.2
94.07372	0.7
95.04980	11.9
95.08610	20.7
97.02890	1.0
97.06551	1.6
97.10174	7.0
105.04502	1.0
105.07043	8.3
107.04957	3.0
107.08612	3.4
109.06516	3.0
109.10163	9.2
111.04435	1.2
111.08060	3.8
111.11708	2.2
113.06035	1.0
119.08576	8.3
121.06514	1.3
121.10164	3.4
123.08086	1.4
123.11732	3.2
125.09635	1.1
129.06995	5.1
131.08580	4.6
133.06516	1.4
133.10153	3.0
137.09605	1.0
137.13242	1.5
147.08112	1.1
147.11658	5.3
149.09668	4.3
157.10121	5.4
165.12802	1.3
175.11206	4.6
193.12267	25.6
211.13300	36.0
267.15912	7.0
267.26929	3.4
341.30475	4.9
416.16595	0.8
533.42505	4.0
551.43060	100.0
552.43414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55949	1.1
53.03951	2.6
55.05507	3.5
56.27734	1.1
57.03445	8.6
59.05006	1.5
60.04548	1.2
65.06396	1.3
67.05502	3.0
69.03434	22.2
69.07064	7.3
70.06602	2.1
71.05004	1.6
73.02915	2.8
75.82609	1.2
78.35946	1.2
79.05488	3.5
81.03431	2.8
81.07075	6.3
83.05007	1.5
83.08611	7.0
85.02433	1.8
85.02913	20.3
87.04480	15.1
91.03969	1.3
91.05480	3.5
93.07056	9.1
95.08609	12.6
97.02901	20.7
97.10166	1.4
99.04507	2.2
105.03389	1.5
105.07035	3.9
107.08602	28.1
109.02893	1.6
109.10166	10.6
111.08091	3.0
115.03941	19.9
119.04931	1.4
119.08578	3.0
121.10161	35.3
123.04485	1.7
123.08039	1.8
123.11729	3.0
125.09649	2.5
127.03932	3.1
129.05470	2.0
133.04984	19.2
135.11713	7.4
137.06012	1.6
139.03073	2.0
139.07549	1.8
144.06586	1.7
145.04941	2.7
147.04405	2.2
149.13217	2.9
150.07634	4.6
153.09117	5.4
159.11731	1.2
163.22887	1.2
166.08731	2.8
167.10680	1.5
172.46236	1.2
177.16403	100.0
187.14876	3.0
205.15891	18.2
223.16943	91.1
241.09816	1.6
241.18002	57.1
287.05334	1.6
337.23666	1.5
408.11740	1.6
436.11139	5.6
447.18933	1.3
454.11993	2.6
500.61609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2777
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
51.60669	1.0
56.96550	4.6
69.22795	8.2
69.23203	1.7
87.81101	1.3
98.97592	12.9
103.71733	1.0
109.10233	1.4
110.97555	2.0
112.99144	4.4
116.98592	5.0
131.00151	6.8
131.62662	1.0
134.99672	1.3
143.00208	2.0
147.04396	1.3
149.01227	3.0
158.99652	5.3
177.00673	5.1
185.01180	1.3
189.00639	1.3
199.02748	2.2
200.02451	1.3
203.02266	1.2
219.01685	1.6
227.02402	1.2
237.02972	1.8
275.04333	3.9
293.05453	7.8
311.06461	1.8
316.07068	1.1
317.17902	18.3
335.18906	4.4
358.20654	1.9
358.74173	1.3
553.27698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05506	3.2
57.03443	6.8
64.42119	1.2
67.05505	1.7
67.78337	1.1
69.03445	2.7
69.07069	2.2
69.62621	2.1
69.63027	5.3
70.06600	1.8
71.05003	42.6
71.40427	1.1
73.02917	3.2
75.04482	2.6
79.05518	1.8
81.07065	5.0
83.04972	5.3
83.08619	1.4
85.02915	55.7
85.06576	1.5
87.04477	3.0
91.05499	7.6
93.07034	5.4
95.04973	2.9
95.08617	5.1
97.02864	2.1
99.04459	2.0
100.11245	2.1
103.05453	3.4
105.07050	7.0
107.04965	8.8
107.08604	3.8
109.02922	2.5
109.10159	4.7
111.04429	2.1
115.05453	1.9
117.07030	3.0
119.04929	2.6
119.08588	2.8
121.02836	1.4
121.06516	3.5
121.10144	1.7
123.04421	4.1
123.11703	3.2
125.05968	1.7
127.03913	3.3
128.06262	2.3
129.05496	12.7
129.06978	5.8
131.04950	3.6
131.08591	4.0
133.06488	3.0
133.10124	2.0
135.08047	2.0
137.05974	8.3
139.03925	1.6
145.06480	2.8
147.06506	4.9
147.07893	1.2
149.05968	3.0
149.13174	1.3
151.03917	1.9
151.07553	10.8
153.05530	1.6
157.06490	5.2
159.08032	2.0
161.06009	14.1
161.09630	5.1
163.07556	5.8
163.11168	1.3
165.07016	1.8
165.09109	4.2
166.06276	2.2
167.07060	61.7
171.08011	2.3
173.06015	3.1
174.06793	3.3
175.07564	9.3
177.05525	1.9
177.09126	27.1
179.07011	2.0
179.08598	1.6
179.10654	1.5
181.08612	21.8
182.15431	1.5
183.08168	1.5
187.07542	3.3
189.09114	25.1
191.07025	4.4
191.08662	1.4
191.10538	1.4
193.08600	13.4
195.08192	2.3
195.10172	8.0
197.09708	2.2
203.07002	1.6
203.10707	1.7
205.08679	6.0
207.06563	3.7
207.08403	1.6
207.10202	8.6
209.08072	3.0
215.07083	1.3
217.08675	2.2
219.08243	2.4
219.10199	5.3
221.08005	1.7
221.11639	6.7
223.11276	1.6
223.35974	1.2
225.09135	4.6
225.11145	1.9
225.18518	8.5
229.18095	1.4
233.11716	1.6
236.08417	1.3
237.08974	1.3
243.19537	3.3
249.08913	1.4
249.11288	2.3
251.10764	1.5
253.08601	3.6
257.11713	3.3
261.11261	3.5
283.09598	3.9
283.13275	2.1
285.11200	4.9
299.12555	1.4
311.12820	3.0
315.12265	5.7
317.13907	5.7
327.12183	1.9
329.13635	1.9
333.11243	1.5
341.13889	4.3
343.15366	4.3
355.15573	1.4
359.14792	2.5
361.16498	100.0
365.13806	4.6
371.14865	2.2
373.16507	11.5
383.15015	1.6
385.16489	5.5
387.18048	2.2
397.16504	9.8
415.17715	7.6
427.17404	3.8
453.19138	5.5
471.20181	4.5
489.21039	1.8
507.22058	3.5
554.42419	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
56.96566	1.0
57.03442	8.0
59.04995	1.7
61.02911	1.1
67.05521	1.2
69.03434	31.0
70.70419	2.9
71.04993	1.7
71.21988	1.0
73.93562	1.0
75.04488	1.1
81.03391	1.5
81.07054	5.0
83.04967	3.7
85.02434	1.8
85.02908	20.8
87.04469	18.2
91.92464	1.1
95.08608	8.8
97.02298	1.4
97.02896	23.2
97.06521	2.3
98.97552	1.1
99.04457	1.3
99.08064	3.0
105.07026	2.0
107.08604	2.3
109.06515	13.8
109.10152	3.6
111.04439	3.9
113.06011	1.0
115.03933	30.8
119.08521	1.0
121.10168	2.3
123.08073	39.8
123.11667	1.2
125.09636	3.4
125.21526	1.1
127.03925	2.6
127.07562	2.0
133.04967	29.5
139.11209	2.7
141.08051	2.2
141.09102	31.4
145.04953	3.2
149.09569	3.4
150.07588	2.1
151.07553	7.2
151.11122	1.9
160.05063	2.1
163.11191	1.0
165.12756	2.6
167.06982	2.3
167.10640	1.6
169.08629	3.0
181.12270	5.7
189.12801	2.3
192.07742	2.0
207.13861	10.2
210.44919	1.0
213.11237	2.1
225.14857	100.0
238.58324	1.0
241.07054	1.5
243.15930	57.6
259.08133	1.3
277.09131	1.7
295.10086	2.0
303.01254	1.9
386.09958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.2
57.03437	6.8
57.07083	37.4
61.99794	2.0
67.05507	14.2
69.07075	13.3
70.06595	14.9
70.65418	6.2
71.08640	20.6
79.05494	13.8
81.03439	2.8
81.07060	19.5
83.08632	13.5
85.10177	13.2
88.07635	6.6
89.06045	17.4
91.05494	4.3
93.07049	23.1
95.04957	3.4
95.08615	36.7
97.02895	2.7
97.06521	3.2
97.10176	4.7
97.63649	1.7
99.04455	2.7
102.09177	3.9
102.57123	1.9
105.07050	4.8
107.04974	7.6
107.08590	19.5
109.10138	10.0
116.54105	2.1
117.07038	3.3
119.08621	9.5
119.89536	1.9
121.06535	3.8
121.10160	8.5
125.05997	3.0
132.10211	4.7
133.08644	6.5
133.10124	2.1
135.11696	25.8
145.10123	16.7
146.11816	5.3
163.11206	38.2
168.80414	1.8
181.12277	4.2
201.02643	1.8
227.10574	2.8
227.12808	44.1
256.26477	8.2
257.24805	3.6
271.08435	2.0
272.25748	3.0
283.15402	55.0
283.26309	45.5
300.28922	25.9
311.29410	4.1
313.27383	70.0
371.22882	7.6
521.38391	54.0
556.53064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.96562	12.1
57.03427	0.4
67.05501	1.6
68.96217	0.3
69.07047	0.4
71.53590	0.4
71.95226	0.4
79.05492	1.2
81.03413	0.9
81.07062	1.2
83.08591	0.4
84.96024	3.5
86.09695	0.5
91.05473	1.3
91.94002	0.3
93.07050	0.8
95.04956	0.5
95.08585	1.0
96.65948	0.3
98.97581	53.8
105.07025	0.6
107.04964	0.6
107.08562	1.0
109.10178	0.6
110.97565	11.6
112.99103	1.9
116.98618	16.8
117.06994	0.4
119.08570	1.1
123.08089	0.5
123.11715	0.3
124.99116	7.6
126.97027	1.2
127.00641	0.7
128.98604	9.9
128.99565	0.5
129.06935	0.4
131.00172	1.3
131.08572	0.5
133.10130	0.5
134.99652	2.2
135.11662	0.6
138.96996	1.6
140.00195	2.8
140.98576	4.2
143.00162	18.5
143.08571	0.3
144.98119	2.2
145.10162	0.7
146.99622	3.0
149.01186	0.4
150.97105	0.3
152.00201	0.8
152.98605	3.9
155.00150	0.7
156.98082	6.1
157.10155	0.4
158.01262	0.5
158.99655	30.7
159.11708	0.4
161.01222	9.4
162.99142	1.4
166.01747	1.7
168.98141	0.6
170.01189	0.4
170.99657	19.2
173.01212	2.1
174.99146	8.3
177.00705	20.3
179.02292	0.7
179.99738	0.6
182.01230	0.8
182.99631	2.6
184.02786	0.8
185.01216	9.8
186.99190	1.5
189.00708	13.6
190.98622	0.4
191.02254	0.7
193.00253	1.5
194.01218	0.5
194.99681	4.3
195.01775	1.3
198.00658	0.7
198.99121	3.4
200.02310	2.6
201.00694	6.5
202.98737	0.4
203.02307	3.5
205.00189	0.9
206.99707	0.7
207.01778	1.2
210.99223	0.5
212.02277	2.7
213.00710	5.6
214.98643	1.0
215.02353	0.4
217.00212	3.6
219.01762	15.9
222.99150	0.7
225.00772	0.7
226.03940	0.7
229.00212	1.1
231.01724	3.0
232.99728	1.1
234.99118	0.7
235.01251	0.5
236.02371	0.8
237.00453	0.8
237.02808	11.0
238.98683	0.4
240.01910	0.6
241.00153	1.9
242.03352	1.6
243.01874	1.2
245.03307	0.4
247.01210	0.4
253.00195	0.6
254.03288	0.5
255.03918	0.9
259.01355	0.8
260.04437	0.8
261.02826	12.7
268.97174	0.3
271.01291	0.5
273.02945	0.8
273.18311	0.4
275.00671	0.5
275.20316	0.4
279.03867	31.0
289.02429	0.9
291.03864	1.0
293.01794	6.3
301.02304	11.5
302.05435	3.4
303.03839	0.9
311.03043	1.0
319.03357	13.2
321.04965	1.0
327.85910	0.3
334.04514	0.7
335.02859	6.7
337.04349	3.8
339.06091	1.2
342.05014	2.7
359.03043	0.8
362.12350	0.3
377.03912	8.6
391.05478	0.7
395.04950	5.5
399.08069	1.1
400.05325	0.4
413.06128	2.5
418.06665	1.7
436.07669	0.5
467.07053	2.7
539.33417	0.7
557.10229	100.0
557.34155	2.7
558.10608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.0
56.96590	0.6
57.03458	1.2
58.99886	1.0
61.02971	0.6
62.16371	0.4
62.16727	0.4
68.98323	0.5
69.03433	4.1
70.99905	1.4
71.52639	0.4
71.53035	0.9
73.02953	1.2
77.00921	0.5
78.41183	0.4
78.63242	0.4
81.03475	1.6
82.99936	2.6
85.02912	8.8
86.99366	1.0
87.04490	0.9
90.88014	0.4
94.99390	0.6
94.99912	1.1
95.04981	0.5
97.02895	4.2
98.97613	1.1
99.04528	1.4
101.00889	20.8
103.02460	0.8
109.01492	1.6
109.02921	2.4
113.00891	4.9
115.02499	1.9
115.03990	0.5
116.98663	0.6
117.04049	1.6
119.01933	34.6
121.02916	1.0
122.06026	0.5
123.04475	0.9
127.02439	9.0
127.03886	4.1
127.23206	0.4
128.98740	0.5
129.00374	0.6
129.04039	1.4
131.01921	15.1
133.03554	1.7
135.05086	0.6
137.00870	0.7
137.02077	0.5
137.03009	2.9
137.06029	0.7
139.02464	1.9
139.03998	0.6
141.03987	2.7
142.03587	0.7
143.01912	32.6
145.03485	38.5
145.04979	2.7
146.95041	0.4
147.01416	2.2
147.05049	1.5
149.03006	1.6
151.02579	0.6
153.01881	1.4
153.03990	2.6
155.01906	21.6
156.02919	0.5
157.03490	10.4
158.99651	0.7
159.01480	0.6
159.05052	10.9
161.02977	29.0
162.03116	0.8
163.04547	5.6
167.01917	11.6
167.03276	0.9
167.07085	1.0
168.05162	0.9
169.03484	43.0
171.01443	4.0
171.05051	13.2
173.02983	28.3
173.06697	0.9
175.04562	2.1
177.06108	0.6
179.01875	5.7
181.03477	5.5
183.05092	3.3
184.04678	1.0
185.02979	46.9
185.06528	1.2
186.03209	0.7
187.04539	52.8
188.04834	0.5
189.00774	0.7
189.02457	9.6
189.04108	0.9
189.06058	2.4
191.02037	0.5
191.03995	1.4
193.03520	1.5
194.06676	0.8
195.01453	1.8
195.05096	1.3
196.04657	0.6
197.02986	21.3
197.06621	1.3
197.08104	0.7
199.02808	0.5
199.04533	9.7
201.00708	0.8
201.02390	1.0
201.06068	2.4
203.04027	17.4
205.03667	1.5
207.03502	1.3
208.04625	1.4
209.02779	2.4
209.71964	0.5
210.06166	1.7
211.04541	9.8
212.04352	0.5
213.02473	11.7
213.06004	2.7
215.00452	1.7
215.04033	16.7
215.05792	0.6
215.07553	0.6
215.09959	0.6
216.83774	0.5
217.05617	1.2
219.07201	0.5
221.03001	0.8
221.04997	6.7
223.04532	4.1
225.02432	3.2
225.05981	0.7
227.04037	10.8
227.06145	0.7
229.05539	3.8
231.03532	18.0
231.07050	1.0
233.01462	1.0
233.05113	1.5
237.02687	0.6
239.04071	1.5
239.06020	1.1
241.05598	1.0
243.03693	2.5
245.05099	100.0
246.05251	1.5
247.04759	0.9
251.02431	0.9
253.05493	0.8
254.05254	0.6
255.03539	1.5
255.07242	0.6
257.01495	4.6
257.05042	5.0
259.06595	0.6
261.04871	0.8
261.08148	0.6
263.06134	13.7
267.03525	0.9
267.07065	0.7
271.06671	8.8
273.04532	1.8
273.08206	1.8
275.02515	34.4
275.06107	64.4
276.02844	0.5
276.06454	0.7
277.03345	1.1
280.18515	0.6
281.09018	0.9
284.06653	1.0
286.07703	0.7
287.02478	10.1
287.06085	6.3
287.09073	0.7
289.07642	2.0
291.05600	1.3
293.03522	6.2
293.07175	7.0
296.08759	1.0
297.04584	1.4
299.05841	0.6
303.01480	0.7
304.59305	1.0
305.03488	11.9
305.07153	16.8
305.10455	0.9
315.05685	3.2
316.05185	0.8
316.08780	1.2
317.03400	1.6
317.07169	3.1
319.08618	0.8
321.10239	2.0
322.10565	0.7
323.10208	1.3
333.06714	2.1
335.04498	13.9
335.08237	11.0
337.09891	0.6
341.03650	2.9
341.07135	0.6
347.08203	1.7
351.07455	1.5
351.11221	1.3
358.66721	0.5
359.04553	12.0
359.08423	0.5
365.09329	16.6
375.11914	1.0
377.05594	33.1
377.09308	2.0
383.10400	1.4
383.18274	0.6
385.63190	0.7
386.11880	0.5
395.06702	45.4
425.11099	0.7
481.13504	0.5
521.09735	0.7
539.10516	6.2
557.11664	23.7
574.10364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34977	0.9
60.46733	0.9
69.18330	5.8
69.18748	2.6
75.13703	1.0
82.99459	0.9
82.99895	3.4
98.20789	2.0
101.00883	19.2
109.01387	1.8
109.02874	1.2
113.00869	5.0
119.01926	20.5
122.01332	1.1
127.02422	7.0
129.04030	1.0
131.01920	9.9
131.31953	0.9
137.02960	1.0
139.02345	1.7
141.03934	1.9
143.01906	27.8
145.03467	25.8
147.01408	1.4
147.05069	1.5
153.03954	2.9
155.01913	17.7
157.03438	7.9
159.05078	4.3
160.62225	0.8
161.02979	20.9
161.04324	1.4
163.04434	1.9
167.01898	12.2
169.03468	37.7
171.01436	2.0
171.05031	9.3
173.02975	22.4
179.01906	6.0
181.03479	3.6
183.05035	2.1
185.02968	43.9
187.04539	30.7
189.02477	3.4
193.03488	1.4
195.01273	1.7
195.04999	1.4
197.02968	24.6
199.04536	4.0
201.06160	1.2
203.04028	10.0
205.03595	1.0
209.02972	2.4
210.06206	1.1
211.04558	7.7
213.02483	6.4
213.06090	1.2
215.04013	18.3
221.05127	2.1
223.04541	2.0
225.02541	1.3
227.04042	10.3
229.05516	2.2
231.03539	6.2
233.05156	1.5
239.04025	2.0
243.03720	1.0
245.05093	100.0
257.01498	1.9
257.05042	5.8
263.06186	11.3
271.06589	3.6
275.02579	16.2
275.06107	98.3
287.02502	4.5
287.06143	10.0
289.07773	1.1
293.03827	1.7
293.07162	7.7
305.03604	4.4
305.07089	23.4
315.05417	1.1
317.03638	1.6
317.07025	5.0
335.04550	5.2
335.08218	16.9
359.04532	5.2
365.05206	1.3
365.09335	18.7
377.05411	12.6
377.09421	2.7
395.06546	17.3
395.10489	1.6
539.10742	1.8
557.11560	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	557.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01861	3.4
55.05519	8.7
56.96558	1.1
57.03436	2.0
57.07095	1.0
57.86228	0.9
66.70901	1.0
67.05510	12.3
69.03407	3.4
69.07079	4.8
71.05000	1.8
71.14941	0.9
71.53538	1.3
78.24556	0.9
79.05494	11.1
81.02992	1.9
81.03425	23.0
81.07066	12.1
83.04972	3.2
83.08640	6.4
85.02893	1.1
85.06516	0.9
91.05489	10.6
91.25546	1.1
91.83347	1.0
93.07045	12.0
95.04984	8.8
95.08624	7.4
97.06547	2.4
97.10178	6.6
98.98483	2.3
105.07045	8.4
106.15759	0.9
107.04963	8.0
107.08585	6.7
109.02857	1.3
109.06522	3.8
109.10193	4.7
111.04435	1.1
111.08073	3.0
115.05477	0.9
117.07025	4.4
119.08572	6.8
121.06517	8.3
121.10142	4.4
123.08063	3.7
125.09647	8.3
127.03870	1.1
129.07007	5.8
131.04941	1.6
131.08582	6.6
133.06503	3.5
133.10138	4.0
135.08051	4.6
135.11656	1.4
137.05984	1.4
137.09712	1.4
141.06978	1.6
142.07838	1.2
143.08582	2.3
145.06505	4.0
145.10172	5.2
147.04424	1.4
147.08046	3.6
147.11714	2.7
149.09637	2.6
151.07623	1.1
153.09071	3.4
155.01019	1.3
155.08562	1.3
157.10129	4.0
159.08083	2.2
159.11681	1.6
161.05984	1.0
161.09608	1.6
163.11206	2.5
165.12799	1.0
169.10098	1.6
171.11667	2.7
173.09697	1.6
173.13242	2.2
175.11198	3.4
177.12724	1.8
183.11723	1.3
185.09589	1.2
185.13313	1.7
187.11151	1.7
187.14716	1.3
189.11293	2.2
189.12791	1.7
191.10527	1.3
193.12260	14.2
199.11232	1.2
203.79491	1.1
215.14290	2.0
225.12671	1.6
227.12732	2.8
231.13870	1.4
233.15331	4.0
237.02748	1.0
237.12653	1.1
249.14899	1.6
267.16080	1.2
273.14844	1.3
281.95172	1.0
339.23038	1.9
347.12454	1.7
352.41699	1.0
357.24255	2.6
367.22672	6.0
385.23837	9.3
395.23807	2.2
403.24680	2.7
415.24768	4.0
441.26361	3.5
459.27460	100.0
477.28513	1.4
539.24066	1.2
557.23700	1.4
557.32263	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	557.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.6
55.01883	16.1
55.05517	32.5
56.83050	1.9
57.03440	5.4
59.05014	4.8
63.46716	2.0
65.03941	4.6
67.05513	44.2
67.55314	1.7
69.07075	35.0
71.04998	5.2
71.53537	2.6
77.31483	1.8
77.96943	1.8
79.05505	48.8
81.03439	15.5
81.07066	54.5
83.01363	6.8
83.04992	16.0
83.08629	17.3
85.02898	2.5
91.05495	56.5
93.07060	47.2
95.01345	9.5
95.04984	14.8
95.08616	37.6
97.06539	19.5
97.10203	2.9
103.05488	2.5
105.07047	80.3
107.04960	22.6
107.08624	27.0
109.06565	5.8
109.10178	11.5
109.18762	1.9
111.04473	2.5
111.08092	5.3
115.05475	3.9
117.07026	21.7
119.08596	43.8
121.06548	5.8
121.10149	11.3
122.51165	1.9
123.04482	2.9
123.08095	7.0
123.11732	3.7
125.09586	3.6
129.07022	8.1
131.08588	21.7
133.10146	39.6
133.11092	3.0
135.08058	4.9
135.11696	12.2
137.09674	2.9
141.07082	2.9
143.08607	7.1
145.06499	3.7
145.10117	24.6
147.08102	3.6
147.11713	16.6
149.09618	8.0
149.13283	6.2
151.11276	2.3
153.12805	2.9
155.08620	4.2
157.10213	5.8
159.11710	11.3
161.09602	2.8
161.13292	6.0
163.11209	19.5
169.10117	4.3
171.11719	3.3
173.09694	3.1
173.13319	5.0
175.11227	2.2
177.12761	3.5
177.71201	1.9
179.14334	17.9
183.11731	4.4
187.11195	3.6
187.14871	3.5
197.13321	4.3
205.12361	2.1
205.32913	2.2
209.11845	3.1
227.12862	4.2
229.19496	2.8
239.18048	3.3
245.44615	2.2
247.20480	2.7
257.19086	8.8
275.20105	100.0
279.04086	2.6
283.15475	2.4
293.21234	8.4
349.23758	4.8
447.28940	2.5
465.30026	3.0
539.33948	6.2
557.34888	90.2
576.47662	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	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01870	2.4
55.05515	16.8
57.03442	6.4
57.07070	2.2
65.03942	1.9
67.05511	34.8
69.07077	15.9
71.05003	3.7
77.03920	1.3
79.05499	31.8
81.03440	4.2
81.07067	35.0
83.05000	3.4
83.08624	7.6
85.06555	1.8
91.05489	30.1
93.07056	34.7
95.04970	5.6
95.08616	26.6
97.06560	3.6
97.10210	3.1
99.08112	1.7
103.05441	1.3
105.04559	1.4
105.07041	28.7
107.04977	3.6
107.08598	16.0
109.06532	3.2
109.10168	7.5
111.08102	2.5
113.51969	0.9
115.05504	1.5
117.07034	16.6
117.12945	1.1
119.08601	25.4
120.19343	1.0
121.06537	3.0
121.10165	10.4
123.08094	3.4
123.11746	1.2
125.09625	1.1
128.06250	3.9
129.07028	16.3
130.07930	1.1
131.08586	24.2
133.06546	1.7
133.10147	14.6
135.08105	3.0
135.11707	7.3
137.09703	1.3
141.06981	6.3
142.07813	2.9
143.08586	19.9
145.06544	1.2
145.10127	25.3
147.08041	1.4
147.11711	14.1
149.09674	1.8
149.13300	2.9
154.07805	1.7
155.08578	17.2
156.09418	2.5
157.10152	18.3
159.11687	16.2
159.12862	1.4
161.09702	1.4
161.13266	10.1
162.34972	1.2
163.11282	1.7
167.08588	4.8
168.09433	1.6
169.10153	22.0
170.10939	1.2
171.08096	1.9
171.11705	19.0
173.09666	1.7
173.13277	11.8
175.11279	1.9
175.14886	4.8
179.08650	3.2
181.10158	10.4
182.10976	2.2
183.11717	15.9
185.09753	1.7
185.13284	11.6
187.11246	2.7
187.14886	4.3
189.12776	2.3
193.10251	3.0
194.10881	1.5
195.11714	11.7
197.13287	14.0
199.14847	7.5
201.16458	2.5
207.11751	3.6
207.13860	3.5
209.13324	8.8
211.14835	7.8
213.12976	1.6
213.16431	5.7
219.11766	1.9
221.13411	3.7
223.14972	5.5
225.16530	2.0
227.17899	1.1
229.49800	1.6
231.17473	1.5
233.13208	1.5
235.14909	2.5
237.16518	2.4
239.17970	2.3
241.19510	5.5
247.14694	1.3
247.17067	3.1
251.18039	2.1
257.19202	1.3
259.20593	12.0
263.18008	1.5
265.19571	1.3
279.16019	3.1
281.17410	9.1
285.18710	1.5
285.22275	1.1
297.22107	2.6
307.20786	1.4
313.21872	2.5
321.22153	2.0
323.23801	2.8
325.21863	1.4
325.25421	1.6
327.22610	1.4
333.24493	7.0
335.23889	2.5
339.23288	1.4
341.24982	1.6
349.25369	2.0
353.24860	3.5
373.25360	1.6
379.26096	1.0
392.35559	1.2
419.33328	3.0
429.31641	4.9
437.34204	9.5
447.32632	19.7
447.38535	1.4
455.35260	1.4
465.33752	23.0
483.34775	15.7
501.35657	2.8
503.35242	1.7
509.36523	1.5
511.38098	3.1
521.36188	8.9
525.35944	1.3
527.37677	1.3
529.39020	7.3
539.37390	100.0
540.37299	1.1
557.38519	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	557.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64331	2.7
55.01888	14.1
55.05513	24.2
55.10294	2.8
57.03439	23.2
57.07076	60.3
58.71957	2.9
67.05507	35.4
69.03419	6.6
69.07075	14.2
71.08640	42.1
72.52999	3.0
73.02934	6.4
73.06593	3.0
79.05479	16.5
81.03422	9.9
81.07063	28.1
82.04189	7.3
83.04983	10.7
83.08632	16.9
85.10189	23.0
87.04427	2.9
87.41517	2.6
89.06036	46.8
90.06360	6.6
91.05489	14.0
93.07051	18.8
95.04962	5.9
95.08612	24.9
97.06527	4.2
97.10146	17.7
98.07320	8.5
105.07028	13.1
107.04961	3.6
107.08606	11.3
109.10130	15.3
111.08077	4.6
111.99603	3.4
116.04708	18.1
117.07035	2.9
119.08603	9.3
119.45944	3.5
123.08080	5.7
123.11713	4.6
125.09637	10.8
129.05469	38.4
129.06990	3.8
131.08566	3.0
133.08606	26.6
133.10136	7.4
134.08945	5.3
137.09618	4.6
143.07042	7.5
145.10147	3.0
147.11676	3.2
149.09627	3.7
157.08603	15.4
157.09940	4.8
171.10152	5.6
177.11253	10.5
178.11629	4.7
189.11267	7.6
193.12286	8.5
199.13243	4.4
208.68132	3.3
209.11403	3.0
210.12494	3.5
211.99965	3.2
227.12744	18.8
239.23665	8.2
255.15952	3.9
257.24603	3.9
267.15820	3.7
301.16461	83.4
313.27383	100.0
367.28354	4.0
371.23022	4.5
372.23239	5.0
409.93973	3.4
539.39459	65.0
540.41711	9.4
557.53003	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	558.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	4.0
57.03435	3.8
61.02934	4.8
64.48054	2.8
69.03442	16.1
70.58266	10.5
79.05503	6.2
79.63549	3.6
81.03431	8.5
85.02903	22.3
85.06579	3.3
91.05492	15.2
93.07047	3.7
95.04971	3.4
97.02885	7.4
98.20798	4.8
98.97595	4.4
103.05471	11.4
105.07063	19.9
107.04968	32.2
119.04980	15.1
121.06509	10.9
121.10121	4.0
122.03681	5.9
127.03941	7.1
129.07022	5.0
130.04166	3.3
131.04950	16.1
131.08649	3.9
133.02870	11.0
133.06528	16.8
135.08052	7.9
135.83633	3.0
137.06001	100.0
146.07285	3.9
147.04364	14.7
148.10811	3.2
149.05978	24.3
151.07564	33.4
157.06526	6.0
158.99715	4.4
161.05998	77.4
161.09663	22.1
162.06798	9.1
163.07562	54.1
165.09134	7.6
167.07030	7.2
171.08064	3.1
175.07590	8.8
177.05557	7.3
177.09132	3.7
179.07057	23.5
181.08652	19.2
189.09128	49.8
191.07062	8.9
195.08083	4.9
203.07083	5.5
207.08247	4.6
207.10199	94.8
217.08636	3.3
219.10168	5.4
225.11162	3.9
227.10651	4.2
229.08800	4.6
253.12219	3.4
255.10141	5.8
258.08368	3.1
266.08032	3.7
273.11243	6.6
285.11169	4.7
287.12854	8.5
288.12247	6.0
291.12228	15.7
297.11203	4.6
313.14395	13.5
331.15451	56.9
343.15305	9.1
363.12057	13.2
425.18033	3.8
507.46054	3.7
514.19702	6.7
538.04926	3.3
545.48218	2.9
558.19025	10.1
559.26648	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	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88275	1.5
52.72304	1.6
55.01889	1.7
63.44395	1.4
69.03423	3.9
69.17824	14.2
69.18230	2.8
77.45680	1.4
79.05479	4.6
81.03474	1.7
85.02914	6.9
91.05483	17.7
93.07050	2.7
94.04186	3.0
95.04980	3.4
97.02912	2.7
98.21613	2.5
103.05461	17.2
104.31644	1.5
104.52929	1.8
105.07008	10.1
107.04965	26.6
109.06531	2.7
115.05458	3.9
117.07000	3.5
118.04187	1.6
119.04956	17.8
120.95068	1.6
121.06519	5.0
122.03658	5.4
125.89007	1.6
127.03851	2.1
129.07002	6.4
131.04929	26.0
133.06473	7.5
135.08075	8.8
137.05983	100.0
140.14877	1.7
145.06500	1.8
146.07323	2.2
147.04417	11.6
147.08043	2.9
148.05220	3.0
149.06001	10.7
151.07556	54.6
152.97792	1.5
157.06499	5.4
160.41528	1.5
161.05991	87.6
161.09631	20.2
162.06743	10.4
163.07556	71.1
165.09161	1.9
167.08569	2.6
174.06769	6.0
175.07542	14.0
177.05493	1.9
177.09108	15.1
179.07089	6.5
181.08632	13.4
184.62939	1.5
189.09116	62.2
193.06401	2.1
195.08107	7.0
195.10083	2.6
196.33118	1.6
201.09177	1.8
207.10173	89.0
219.10152	9.8
221.06033	2.7
221.09631	3.9
221.11656	3.5
223.07541	5.3
227.10666	11.2
249.09029	3.5
251.42456	1.7
252.07777	1.9
253.08707	4.6
253.12260	5.7
255.10106	9.5
265.08725	2.6
267.10269	2.7
272.10370	1.8
281.11758	3.5
285.11337	9.0
287.12781	38.1
287.15814	2.5
291.12314	2.0
293.11966	1.7
297.11108	4.2
297.14325	1.7
299.12854	6.3
301.14395	2.4
311.12814	17.6
313.14328	36.1
325.14349	2.8
331.15411	81.5
343.15482	8.8
391.67715	1.6
477.27911	1.7
488.68268	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79897	1.4
55.01852	1.5
56.05006	1.5
60.26232	1.4
64.57595	1.8
69.03432	3.3
70.78388	4.5
74.27747	1.5
79.05482	3.3
79.21061	1.4
80.28735	1.4
81.07063	2.6
85.02893	6.9
91.05492	19.8
93.07047	3.2
95.04949	3.9
97.02869	4.5
103.05464	11.0
105.07059	8.2
107.04286	2.3
107.04955	25.4
109.06522	1.9
115.05463	3.7
115.30097	1.4
119.04956	13.8
120.20090	1.5
121.06511	5.2
121.10106	1.9
122.03629	4.4
122.07294	1.6
122.29749	1.5
127.03899	1.8
129.06990	6.2
131.04919	17.5
133.02814	4.0
133.06479	6.4
135.08023	6.4
137.05981	76.3
145.06494	2.4
146.07320	2.1
147.04405	13.1
147.11703	2.0
148.05206	1.8
149.05983	11.1
151.07544	45.5
157.06456	6.1
161.05986	84.7
161.09616	19.4
162.06775	7.4
163.07549	53.4
165.05365	1.7
165.09109	2.6
167.08568	3.9
174.06725	3.3
175.07593	7.8
177.09087	4.1
179.07016	7.3
180.03543	1.7
181.08644	10.8
189.09122	58.0
191.07057	2.4
193.06392	2.2
193.10162	2.4
195.08089	7.0
195.09972	1.9
207.10181	100.0
209.09621	2.0
219.10129	6.7
221.09668	3.1
223.07483	3.8
224.08365	1.7
227.10674	11.8
249.09282	1.8
253.08611	3.4
253.12207	5.4
255.10199	10.5
269.07877	2.3
271.09836	1.7
285.11115	9.0
287.12772	26.6
297.11206	2.2
299.12686	4.5
311.12839	11.3
313.14386	32.7
331.15417	93.1
343.15469	10.5
558.20502	11.2
559.21387	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01867	3.1
55.05509	15.0
57.03435	16.8
57.07075	39.2
65.03934	2.1
67.05508	26.1
69.03438	2.7
69.07072	12.8
70.06590	2.5
71.04993	4.5
71.08630	25.5
79.05491	20.3
81.03416	48.2
81.07061	38.0
82.56520	1.3
83.04986	15.1
83.08623	23.3
85.02912	16.1
85.06544	2.1
85.10178	11.3
89.06020	3.9
90.72500	1.2
91.05482	30.1
93.07037	15.2
95.04973	17.6
95.08606	25.5
97.06526	2.8
97.10168	6.0
98.20736	3.7
99.29092	1.4
105.07048	18.6
107.04967	4.8
107.08585	7.5
109.06504	5.6
109.10143	8.4
111.04440	1.9
111.08090	6.0
113.05988	1.9
117.07043	1.4
119.08582	16.4
121.09392	1.4
121.10117	6.7
123.08068	2.9
123.11752	2.8
126.91639	1.4
129.07034	7.1
131.08536	8.5
133.06418	1.5
133.10098	7.3
137.09651	3.1
142.07788	1.6
145.10100	1.8
145.96541	1.6
147.08008	2.4
147.11707	9.9
149.09634	4.5
157.10120	10.9
165.12834	2.6
174.62112	1.2
175.11179	10.1
193.12245	40.8
206.64494	1.5
211.13283	64.1
229.50165	1.3
239.23723	2.6
257.24387	1.3
267.15912	18.1
284.26602	3.3
285.16956	72.5
285.26825	2.1
301.29364	2.1
313.27368	100.0
505.38882	14.9
523.39929	75.7
558.53577	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	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.4
57.03441	8.5
57.06826	2.0
57.07075	27.6
63.00032	2.3
67.05502	15.9
69.03407	2.3
69.07051	9.5
69.52240	11.9
70.00867	1.7
71.04981	3.3
71.08633	15.5
74.09710	1.8
79.05478	9.1
81.03416	44.2
81.07046	24.0
83.04978	9.8
83.08617	23.1
85.02906	12.9
85.06521	2.3
85.10184	9.6
89.06018	4.4
91.05478	14.2
93.07037	10.2
94.07320	1.5
95.04973	17.0
95.08604	20.4
97.02910	2.2
97.06519	3.2
97.10171	5.6
98.20795	3.1
100.88048	1.4
103.72736	1.7
105.07027	14.8
107.04949	3.2
107.08588	6.0
109.10157	9.7
111.08064	6.5
113.05969	3.0
115.05437	1.9
119.08556	9.3
121.10126	4.7
123.11672	4.3
129.06990	7.2
131.08539	7.5
133.10124	6.0
135.11646	1.7
144.03189	1.5
145.10126	2.2
147.11665	9.5
149.09605	4.1
157.10156	9.1
165.12747	1.6
175.11191	11.4
187.69745	1.7
193.12238	33.1
211.13283	55.1
239.23642	2.6
267.15961	7.7
285.16928	43.0
310.03427	2.1
313.27365	58.5
505.38925	5.2
523.39954	100.0
558.53674	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	559.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10752	0.1
69.03437	0.2
69.87894	0.7
81.03403	0.2
85.02913	0.5
91.05484	0.3
97.02900	0.2
98.97562	0.3
102.15386	0.1
107.04988	0.1
123.04475	0.4
127.03898	0.2
137.06003	0.2
147.04417	0.2
153.01920	0.2
157.07843	0.2
161.06073	0.2
167.07043	0.2
288.10275	0.2
310.96024	0.1
317.08362	0.3
335.09503	0.2
391.12283	0.3
427.19412	2.3
529.23053	0.2
559.23694	100.0
560.23901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37935	0.1
61.02925	0.2
64.05001	0.2
69.03431	0.4
71.53246	0.3
80.12370	0.1
81.03435	0.2
85.02914	0.6
86.09810	0.2
91.05497	0.7
97.02915	0.2
98.97580	0.3
100.75876	0.2
107.04958	0.2
123.04413	0.9
127.03907	0.2
137.05992	0.3
139.03879	0.2
145.04782	0.2
147.04399	0.2
153.01898	0.5
158.99765	0.2
160.05130	0.2
166.79404	0.2
167.07085	0.3
181.08641	0.2
192.07643	0.2
193.05058	0.2
222.08443	0.2
317.08459	0.4
335.09540	0.3
367.08383	0.2
407.07632	0.4
409.09082	0.2
427.19403	2.6
541.11066	0.3
559.23682	100.0
560.24243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01862	9.9
55.05508	43.4
57.03427	5.6
65.03934	3.1
67.05504	65.7
69.03403	5.5
69.07062	26.9
70.71182	6.0
71.04987	7.5
75.55595	3.2
79.05489	53.3
81.03424	24.4
81.07052	50.0
83.04980	11.2
83.08599	21.2
85.02889	5.0
85.06546	6.1
91.05484	48.1
92.11259	3.1
93.07043	53.9
95.01331	4.1
95.04954	15.3
95.08604	32.8
97.06518	7.7
97.10179	25.6
103.05399	3.5
103.06543	3.7
105.07031	50.4
107.04978	10.2
107.08588	31.0
108.58768	3.2
109.06519	8.0
109.10165	18.4
117.07019	28.1
119.08569	42.4
121.06473	4.5
121.10144	18.1
123.08030	7.8
123.11667	5.2
123.45623	3.5
125.09602	18.7
128.06232	9.1
129.07011	21.0
129.07796	3.3
131.08565	32.9
133.10123	30.2
135.08006	5.7
135.11684	7.3
137.09683	4.3
141.06972	8.3
142.07849	3.9
143.08530	18.3
145.10114	29.7
147.07980	4.3
147.11665	22.1
149.09625	4.4
149.13249	8.1
151.11208	3.9
155.08530	9.8
157.10126	14.3
159.08098	5.5
159.11716	17.1
161.09608	3.8
161.13229	8.3
162.95686	3.8
163.11162	7.7
169.10118	9.9
171.11673	14.3
173.09624	5.8
173.13226	8.3
175.11235	5.6
175.14737	5.8
179.14386	4.6
181.10132	5.1
183.11674	9.7
185.13219	10.6
187.14832	5.1
189.11258	12.8
193.12335	4.0
195.11620	4.9
197.13258	4.0
199.14850	7.0
203.14279	3.5
209.11703	4.9
227.12732	17.8
241.19577	3.5
259.20624	10.4
267.15942	8.8
273.18674	4.5
275.20056	22.2
283.15335	11.4
295.20575	4.7
297.22107	10.9
315.23166	14.7
333.24515	4.2
365.22702	4.0
421.30957	4.2
431.29446	9.5
449.30612	7.9
461.28625	5.8
467.31531	14.9
485.32349	14.2
523.34137	15.0
531.36395	4.5
541.35242	100.0
559.28619	4.7
559.36340	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01866	3.8
55.05262	2.2
55.05515	30.0
57.03420	3.4
57.07068	2.6
64.22957	1.7
65.03940	1.6
67.05506	43.9
69.03446	1.8
69.07071	13.0
69.85175	3.9
69.85581	6.3
71.01354	1.5
71.04981	3.4
71.08633	2.4
73.80202	1.7
77.03960	1.7
79.05489	42.8
81.03415	5.6
81.07056	45.0
83.04974	6.3
83.08623	13.1
85.06547	2.6
91.04966	3.1
91.05489	32.9
93.07043	40.2
93.07627	2.0
94.97122	1.4
95.04946	4.9
95.08607	29.5
97.02887	4.1
97.06535	2.4
97.10177	14.0
99.00808	4.8
99.08105	1.7
105.07027	27.3
107.04934	2.7
107.08598	26.1
109.02875	5.6
109.06521	2.2
109.10173	12.1
111.04405	3.0
111.08089	4.3
114.29514	2.0
115.05438	2.0
117.07012	10.1
119.08579	22.1
121.06512	4.1
121.10149	16.2
123.08066	3.0
123.11695	5.0
125.09631	11.3
129.07016	6.0
131.08569	17.3
133.06450	3.1
133.10132	28.7
135.08063	2.6
135.11705	12.2
137.09615	2.0
138.47586	1.7
139.07524	2.0
142.07770	2.9
143.08571	10.5
145.10089	12.5
147.04378	1.7
147.08107	2.6
147.11699	11.1
149.09583	2.4
149.13235	5.0
151.11198	3.2
153.12735	2.4
155.08511	4.0
157.10161	6.3
159.11688	8.2
161.09619	12.8
161.13255	6.6
163.11212	3.6
163.14847	2.9
167.08566	2.0
169.10129	4.0
171.08047	2.9
171.10298	2.3
171.11694	6.0
173.13304	5.1
175.14854	2.4
179.10696	4.6
181.10139	3.7
183.11626	6.3
185.13211	4.4
187.14828	2.8
189.09160	5.8
189.11186	4.4
195.11743	3.0
197.13301	4.4
199.14882	4.0
211.14841	2.3
225.11171	7.9
227.12833	3.9
243.21069	3.3
259.20612	3.2
261.22076	5.0
277.21606	2.8
281.13828	6.0
283.15607	2.5
284.42752	2.0
285.22052	1.7
287.23688	6.8
297.22012	2.9
299.20059	3.7
313.21674	2.4
315.23193	14.4
316.56882	1.7
341.20956	1.9
421.30881	4.7
431.29770	2.4
439.31638	3.6
449.30490	8.7
457.33096	4.9
467.31677	17.3
475.34415	2.4
485.32791	12.2
495.34393	2.0
513.35870	12.8
515.37659	3.0
523.34052	3.5
531.36743	13.0
541.35205	47.7
559.36243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.1
55.01869	13.9
55.05515	38.0
57.03446	14.5
65.03947	6.1
65.38322	2.3
67.05511	75.5
69.03427	7.1
69.07072	31.9
71.04992	5.7
79.05499	67.1
81.02937	2.6
81.03423	67.8
81.07064	81.4
83.04993	14.8
83.08620	32.0
85.02923	13.4
85.06590	6.8
88.56046	2.3
91.05486	59.3
91.06013	4.1
93.07049	44.3
95.04980	29.0
95.08613	30.9
97.02921	2.7
97.06528	17.4
97.10155	20.2
98.20781	4.8
99.08107	3.6
101.09711	2.7
105.04578	3.2
105.07041	57.5
107.04963	21.6
107.08601	46.6
109.06531	17.8
109.10163	28.6
111.08131	8.3
115.05476	4.1
117.07016	18.4
119.08595	41.0
121.06528	5.5
121.10143	22.6
123.04451	2.5
123.08098	6.8
123.11755	10.6
125.09632	14.7
128.06235	4.3
129.07025	16.8
131.08577	29.8
133.06529	4.4
133.10132	31.7
135.08078	7.0
135.11729	7.3
137.09607	5.8
141.07004	5.4
142.07838	3.4
143.08621	9.9
145.06523	3.5
145.10114	21.2
147.08075	4.4
147.11705	30.4
149.09650	14.2
149.13304	4.1
151.11206	4.6
153.09164	3.6
155.08609	5.1
157.10172	14.6
159.08124	2.7
159.11688	15.7
161.09688	5.3
161.13232	6.2
163.11192	12.8
165.12767	6.6
169.10139	6.4
171.11760	8.9
173.09669	5.8
173.11810	5.3
173.13245	5.5
175.11240	10.8
175.14902	3.2
179.14291	6.0
183.11790	6.4
185.09656	2.6
185.13281	4.6
187.11215	3.4
189.11302	7.5
193.10533	4.5
193.12222	24.6
195.11806	2.8
197.13368	5.2
199.11415	2.7
211.13280	20.7
219.14015	4.2
221.13362	2.6
227.12903	7.9
229.14482	3.9
229.19571	4.4
247.20618	3.8
257.19070	12.4
267.15900	23.2
275.20071	62.8
285.16998	3.1
291.89682	2.7
293.21219	5.1
299.20236	4.9
313.21558	3.9
315.23260	3.3
321.89789	2.7
331.22745	2.4
349.23767	15.0
431.29120	3.5
448.26999	2.5
449.30566	9.6
467.31659	7.2
485.32593	6.7
523.34363	5.9
541.35321	52.1
559.36499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.8
55.01875	22.1
55.05515	41.9
57.03438	14.4
57.07069	2.3
59.04995	2.1
65.03948	4.6
67.05510	79.4
69.03433	6.2
69.07074	44.5
69.07458	1.7
69.46506	8.6
71.04993	5.8
71.08636	2.3
79.05498	63.2
81.03425	68.4
81.07063	82.3
83.04984	16.0
83.08624	26.0
85.02911	12.8
85.06001	1.5
85.06511	3.3
91.05489	88.3
93.07052	57.7
95.01348	11.0
95.04975	30.9
95.08611	47.4
97.02912	3.1
97.06538	33.0
97.10160	13.3
98.21474	2.9
99.08102	2.4
101.05977	1.5
103.05495	3.4
105.04539	3.1
105.07040	90.4
107.04961	28.3
107.08598	27.4
109.06541	7.6
109.10154	18.7
109.10821	1.5
111.04461	2.6
111.08089	11.3
113.09644	1.7
115.05479	4.0
117.07023	26.9
119.04938	2.5
119.08595	51.0
121.06529	9.3
121.10159	19.7
123.04459	5.1
123.08099	8.2
123.11707	4.5
125.09653	8.8
128.06238	5.3
129.07018	16.3
131.04936	2.3
131.08580	39.9
131.09534	2.8
133.06503	4.1
133.09125	2.7
133.10139	49.4
135.08080	6.7
135.11691	10.8
137.09627	5.8
141.07059	4.4
142.07808	5.4
143.08574	10.9
145.06483	5.0
145.10133	25.8
147.08064	6.0
147.11703	28.1
149.09648	14.7
149.13199	6.5
151.11211	3.7
155.08607	6.2
157.10138	17.4
159.08070	4.0
159.11703	18.2
161.09644	2.1
161.13274	6.6
163.11214	8.7
165.09157	2.4
165.12820	3.0
167.08548	3.4
169.10184	7.7
171.10390	1.8
171.11726	7.7
173.09668	2.5
173.11998	1.8
173.13252	8.6
175.11206	8.2
177.12781	5.6
179.14313	14.1
181.10112	2.1
183.11749	6.1
185.13332	6.0
187.11241	6.4
187.14890	3.0
189.11182	3.3
191.14297	1.6
193.12257	24.9
193.13846	1.8
195.11812	2.3
195.13681	1.5
197.13319	4.0
199.14980	1.7
200.47389	1.5
201.12805	3.2
201.16498	1.6
205.12352	3.3
211.13292	18.4
211.15007	2.2
223.13176	1.8
227.12804	4.0
229.19614	3.4
239.17990	3.2
247.20563	3.0
249.14958	1.8
250.88486	1.4
257.18988	10.2
259.20633	1.7
267.15915	50.4
269.12238	1.7
273.18372	1.6
275.20078	100.0
278.00745	1.2
279.15894	3.0
291.19647	1.7
293.21078	12.0
297.22235	1.6
299.20255	3.0
313.21655	3.8
315.23325	2.6
317.21176	2.1
325.22098	1.5
331.22937	2.6
349.23764	22.1
367.65610	1.4
387.25534	1.8
431.29526	1.9
447.27844	1.4
449.30566	3.6
467.31546	5.4
476.30121	1.4
485.32642	2.9
523.34253	3.0
541.35309	68.8
559.36353	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.5
55.01865	4.2
55.05510	32.2
57.03434	10.9
57.07056	3.3
61.34525	2.9
62.75185	2.7
65.03938	6.6
67.05511	95.1
69.00558	2.8
69.07082	17.5
69.31528	10.8
69.31959	13.2
71.04987	2.8
79.05495	97.6
79.05967	4.8
81.03422	9.0
81.07060	77.9
83.04993	14.2
83.08610	10.0
85.06551	5.2
91.05486	75.4
93.07052	100.0
95.04958	17.6
95.08607	60.6
97.06522	7.2
97.10158	5.7
105.04548	4.3
105.07038	51.8
107.04970	6.8
107.08612	28.6
109.06502	8.0
109.10131	17.1
111.08076	3.3
117.07028	14.9
119.08582	41.2
121.06511	3.8
121.10148	19.9
123.08047	7.9
123.11728	5.6
129.07018	13.1
131.08565	9.9
133.10091	18.6
135.11681	14.0
143.08559	9.7
145.10139	17.1
147.11694	44.2
149.13268	6.2
157.10139	3.4
159.11697	5.4
161.09669	5.6
161.13252	21.4
171.11707	31.8
173.13300	6.3
185.13248	4.3
189.12750	9.9
207.13802	30.7
211.13486	3.0
216.76273	2.8
261.22217	12.6
279.15839	3.4
281.17493	61.0
289.21942	2.8
333.23892	3.1
335.25842	61.5
467.35385	3.9
485.36176	4.1
529.39117	3.7
539.34998	2.9
541.38989	89.6
559.39587	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	560.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
58.99580	0.8
59.08723	0.8
62.69881	0.7
67.05496	0.8
70.48326	2.2
70.48675	1.0
75.04486	1.9
78.04713	1.0
79.05490	3.4
85.02908	2.0
91.05488	8.2
93.03399	3.7
93.07064	1.4
95.04962	2.1
97.06507	1.3
103.05475	6.2
104.95354	0.8
105.06390	1.4
105.07041	16.9
106.04191	7.8
107.04929	4.6
108.05765	1.4
109.06512	2.4
114.06983	0.8
117.74992	0.8
118.04157	5.9
119.04958	2.5
120.38755	0.8
121.06513	12.4
122.07285	1.2
123.04410	1.0
123.08098	1.4
124.05202	1.9
125.05991	3.5
131.04915	1.9
132.05692	1.6
133.06488	19.1
134.07289	1.3
135.04419	3.3
135.08031	4.2
137.05998	7.3
139.07558	0.9
146.03632	1.1
147.04405	0.9
148.05113	2.0
149.05992	20.2
150.06787	10.7
151.07570	4.8
153.05482	1.2
153.09109	4.6
159.01132	0.9
161.05998	3.4
163.03917	1.8
163.07542	1.5
165.05482	3.4
165.09143	11.8
167.07037	12.5
175.07579	1.0
177.05486	13.3
178.06265	1.4
179.07056	2.2
180.20964	0.8
181.08603	10.4
191.07050	3.1
193.08612	63.6
195.06557	1.3
197.08105	4.2
197.11819	1.2
209.08095	68.7
211.09659	100.0
301.07440	2.7
308.66812	0.8
313.07440	2.3
403.17435	1.7
560.31445	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	560.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	41.0
55.61726	9.5
56.45302	8.1
57.03438	9.0
67.05517	82.0
69.07061	27.8
72.08155	18.2
74.09686	10.9
79.05496	37.2
81.03419	15.0
81.07063	82.1
83.08626	21.4
91.05473	40.9
93.07075	29.2
95.04981	17.5
95.08607	44.6
97.06537	8.4
97.10167	19.4
98.97636	10.8
105.07011	50.3
107.08601	40.1
109.10168	38.4
110.81996	10.8
117.07027	14.0
117.56814	9.5
118.07283	9.0
119.08595	23.5
121.10111	30.9
123.11679	19.8
131.08583	31.2
133.10141	24.9
135.11693	22.3
145.10146	18.7
147.11673	21.4
149.13313	15.8
151.55299	11.3
159.11719	22.0
161.13269	16.3
163.14824	11.4
173.13336	18.0
179.14316	13.3
187.14803	10.0
227.12859	14.2
243.21156	33.9
261.22134	100.0
279.23199	15.3
287.85986	11.6
323.40063	8.9
335.25839	38.1
353.26816	58.4
539.75385	10.3
542.35541	30.4
560.36298	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	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01855	1.2
55.05511	0.5
57.03442	0.4
61.33090	0.4
65.03945	0.4
67.05490	1.1
68.99790	0.7
69.03429	3.4
69.07070	23.7
69.20512	3.6
69.74866	0.3
71.04982	0.7
73.06554	0.8
79.05506	0.8
81.03432	2.5
81.07056	1.3
83.04962	0.4
83.08585	0.4
84.44564	0.3
85.02908	6.3
85.06563	0.8
91.05484	0.8
92.51365	0.3
93.07043	1.0
94.20986	0.4
95.04975	1.1
95.08611	1.3
96.10669	0.3
97.02900	2.9
97.06528	2.0
99.04459	1.1
99.08073	0.5
105.07030	1.3
107.08575	0.6
109.02898	2.1
109.10139	0.8
111.00818	0.7
115.07561	1.3
119.08562	1.1
121.02876	0.7
121.06526	0.4
121.10126	0.7
123.04426	0.5
127.03903	4.1
131.08598	0.4
133.10127	0.7
137.02342	3.3
139.03937	0.4
145.04996	2.2
145.10175	0.6
149.02347	0.4
151.03940	0.5
153.01831	3.3
161.06033	0.6
161.09659	0.4
163.03932	0.6
165.01842	1.8
173.05824	0.6
179.10645	0.4
181.08537	0.5
183.02921	0.5
189.09134	0.5
199.09712	0.6
201.05475	1.5
213.10803	0.4
228.04202	0.4
229.04982	4.3
241.10710	4.0
247.05981	0.6
257.04440	2.5
259.11804	1.4
274.04703	0.6
285.03839	0.9
303.04990	100.0
399.10602	0.5
408.17429	0.4
533.67004	0.4
561.34235	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64437	1.2
51.73566	1.3
53.03937	4.5
54.17835	1.2
55.01877	7.7
55.05515	38.9
56.21565	1.2
57.03444	6.8
57.07075	2.6
65.03932	1.7
66.07735	1.1
67.05509	51.0
69.03447	3.2
69.07072	17.2
69.26014	9.1
69.26423	2.1
70.44012	1.4
71.04996	4.7
71.08640	1.7
73.80756	1.1
75.34136	1.2
79.05502	43.7
79.05968	2.4
79.93029	1.4
81.03431	8.1
81.07063	58.2
83.04990	10.7
83.08626	21.0
85.06535	2.3
90.23911	1.1
91.04895	2.1
91.05482	35.3
93.06475	2.6
93.07051	40.8
95.04967	10.3
95.08615	42.0
97.06539	7.6
97.10175	27.1
99.04469	1.7
99.08080	2.3
100.65673	1.3
105.04488	1.7
105.06395	2.1
105.07039	32.1
107.04958	5.2
107.08603	34.5
109.06519	5.9
109.10163	23.7
111.04462	7.0
111.08091	6.2
111.11699	1.4
115.05492	2.8
117.07018	20.4
119.08601	26.3
121.06509	3.1
121.10141	20.5
123.08065	3.0
123.11734	6.3
125.09634	21.6
127.70550	1.2
128.06203	1.4
129.06992	10.9
130.07744	1.4
131.08569	26.6
133.06520	2.9
133.10141	16.5
135.08051	7.7
135.11688	18.0
137.09616	2.4
137.13135	1.6
139.11153	1.6
141.06964	2.1
143.08609	9.8
145.06502	2.0
145.10143	22.0
147.08040	3.4
147.11710	16.3
149.09619	4.7
149.13264	8.0
153.09123	3.5
153.12720	6.8
153.56516	1.3
155.08551	6.3
157.10153	8.2
159.11708	14.3
161.09630	2.0
161.13298	6.7
161.14462	1.2
163.11194	14.4
163.14909	2.8
167.08612	2.7
169.10127	6.0
171.11629	7.3
173.09706	5.1
173.11905	1.9
173.13257	10.8
175.11205	3.8
175.14877	2.8
177.12807	2.7
181.10178	2.7
181.12228	6.2
183.11731	3.8
185.13315	6.2
187.11115	1.4
187.14818	4.8
189.11232	12.2
191.10709	4.0
193.12254	4.4
195.11758	2.8
195.13687	1.2
196.68748	1.2
197.13268	4.8
199.14830	3.6
201.12819	1.7
201.16446	2.2
209.11749	3.7
209.13448	1.4
211.13277	3.2
211.15012	1.5
213.16475	2.9
223.14880	1.7
227.12793	30.2
241.19572	2.2
243.21039	2.5
245.13916	2.1
245.18665	1.7
259.20612	5.4
261.22113	10.9
267.15802	3.4
273.22104	2.5
275.20175	1.9
277.21823	3.0
279.23346	1.3
283.15393	15.9
283.20401	2.7
287.23904	1.6
297.22089	2.1
299.23651	14.7
301.21729	4.5
315.23123	1.7
317.24774	10.1
333.24200	4.0
335.25916	11.8
423.32532	2.8
432.03513	1.6
433.30933	7.6
451.32120	11.4
469.33136	12.7
487.34286	9.7
515.37036	4.2
525.35901	15.5
543.36835	100.0
561.38013	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01873	5.4
55.05510	34.8
57.03444	8.4
57.07068	3.9
59.05008	1.8
65.03953	1.5
66.41819	1.4
67.05506	56.5
69.03425	3.2
69.07069	16.0
69.26811	12.7
71.04984	3.7
74.78625	1.1
77.03917	1.5
79.05495	41.7
81.03426	10.4
81.06582	3.3
81.07056	54.5
83.04989	11.4
83.08627	18.4
85.02921	2.1
85.06535	4.6
91.05484	32.9
93.07047	41.1
95.04974	8.8
95.08611	37.3
97.06532	6.2
97.10170	24.5
98.21628	2.3
99.08076	2.4
103.05426	1.6
104.06361	1.4
105.07032	26.3
105.07692	2.3
107.04977	5.0
107.08595	27.7
109.06527	6.1
109.10170	19.0
111.04440	8.1
111.08096	6.1
115.05477	2.6
117.07021	15.5
119.08583	21.6
121.06509	4.8
121.10151	18.1
122.34767	1.6
123.08105	4.5
123.11699	7.1
125.09628	18.0
129.06993	8.9
130.07744	2.0
130.09238	1.4
131.08578	20.2
133.06557	1.9
133.10139	20.5
135.08066	7.2
135.11687	17.3
137.09653	2.8
139.11240	2.3
141.06972	2.9
143.08516	8.7
143.10620	2.2
145.10123	23.3
147.08064	1.9
147.11676	12.9
149.09683	4.3
149.13306	5.0
153.09143	1.5
153.12773	5.0
153.92508	1.4
155.08594	5.1
157.10124	8.5
159.08011	1.7
159.11682	13.6
161.13214	7.2
163.11174	11.0
163.14868	2.8
165.71342	1.6
167.08635	2.2
169.10080	6.6
171.11717	7.8
173.09636	3.5
173.13242	9.4
175.11189	2.8
175.14862	2.5
178.88405	1.4
181.10144	2.7
181.12276	5.9
183.11757	5.9
185.13329	5.8
187.14856	4.9
189.11211	11.7
191.10712	3.2
191.14046	1.5
193.12263	3.7
195.11780	3.4
197.13309	3.1
197.43481	1.5
199.14853	3.6
201.16397	1.7
209.11758	4.2
209.13461	1.8
211.13226	2.9
213.12848	1.6
213.16479	1.7
217.15897	1.8
225.16380	2.3
227.12784	32.2
259.20593	4.5
261.18646	1.6
261.22217	9.5
267.16052	4.5
273.18774	1.5
277.21686	2.4
283.15387	17.1
297.22070	1.5
299.23682	13.8
301.21585	4.1
317.24802	8.5
333.24265	4.7
335.25949	7.5
357.24347	2.3
370.23199	1.6
415.29355	1.6
423.32687	4.2
433.31009	8.0
451.32047	13.0
469.33130	10.6
487.34271	8.6
515.37390	2.4
525.35803	22.0
543.36829	100.0
561.37946	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03941	4.4
55.01881	7.7
55.05513	37.7
57.03442	7.8
57.07073	2.3
59.04986	2.3
60.12774	0.9
63.55295	1.0
63.63270	1.1
65.03938	3.0
67.05505	61.3
69.03418	3.7
69.06722	1.6
69.07069	19.5
70.12138	3.7
71.04998	5.4
79.05495	44.0
79.05965	2.1
81.03418	11.0
81.07057	61.8
82.07380	1.3
83.01354	1.9
83.04984	12.4
83.08624	21.8
85.02899	2.2
85.06545	3.4
91.05481	36.6
93.07045	46.2
95.04955	8.7
95.08606	34.9
97.06532	6.7
97.10174	21.9
99.08071	1.8
103.05441	1.4
105.07032	31.4
107.04989	5.2
107.07865	2.1
107.08593	35.1
107.09299	2.4
109.06521	5.0
109.10156	24.3
111.04454	6.2
111.08064	5.3
115.05436	2.0
117.07012	17.4
119.08583	25.6
121.06520	3.8
121.10152	20.9
121.11017	1.3
123.08087	2.8
123.11726	6.5
125.05968	1.2
125.09624	18.4
128.06230	2.1
129.06989	9.6
130.07808	2.3
131.08578	25.5
133.06503	1.2
133.10138	22.7
135.08084	4.6
135.11697	17.4
137.09618	3.0
137.13232	1.4
141.07007	3.2
143.08569	9.9
145.10120	28.5
147.08070	2.3
147.11687	14.0
149.09648	3.6
149.13261	8.0
151.11110	1.4
153.09119	2.1
153.12732	5.2
155.08572	5.7
157.10136	9.8
159.08092	1.3
159.11705	16.8
161.09634	1.8
161.13214	9.0
162.29985	1.2
163.11203	12.6
163.14809	2.2
165.12804	1.2
166.90283	1.1
167.08667	1.9
169.10127	5.5
171.10245	2.5
171.11710	8.3
173.09636	3.3
173.13261	14.2
175.11185	2.5
175.14883	3.6
179.08585	2.1
181.10191	3.5
181.12242	4.8
183.11749	4.4
183.28952	1.2
185.13231	5.9
187.11157	1.5
187.14771	6.0
189.11191	12.7
189.12718	2.4
189.16385	1.4
191.10722	2.9
193.10443	1.2
193.12242	3.9
195.11766	2.9
197.13255	4.4
199.14841	4.7
201.16420	2.9
209.11710	4.0
209.13377	2.5
211.13210	2.6
211.14972	1.9
223.14891	2.0
225.16483	1.6
226.14352	1.0
227.12756	25.1
227.17970	1.7
241.19539	3.1
243.21136	2.7
245.13852	2.3
259.20624	5.2
261.22134	12.8
267.15930	3.6
273.22092	2.6
277.21658	2.3
281.22733	2.6
283.15359	12.3
283.20615	3.8
285.16968	1.4
297.22055	2.7
299.23706	15.1
301.21661	3.7
304.39743	1.2
311.23660	1.0
315.23132	2.5
317.24826	9.8
333.24326	3.9
335.25830	12.5
336.26215	1.1
355.26492	1.8
357.24423	1.4
365.24142	1.1
373.27811	1.4
415.29977	2.0
423.32205	2.1
433.30884	7.3
451.32040	11.7
469.33224	9.3
487.33994	8.4
499.34357	1.5
507.34787	2.0
515.37341	4.2
517.35559	1.5
525.35748	18.6
543.36816	100.0
561.38086	58.6
561.50287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51812	1.2
53.03936	5.1
53.42410	1.3
55.01876	7.9
55.05517	33.3
56.33587	1.4
56.97103	1.5
57.03422	5.0
57.07074	1.7
65.03934	3.5
67.05506	48.4
68.37502	1.4
69.03428	4.8
69.07071	14.2
71.04984	4.9
74.24290	1.4
79.05064	2.6
79.05497	39.7
81.03409	8.2
81.07059	53.2
83.04971	9.6
83.08621	17.0
91.05482	29.1
93.06476	2.6
93.07048	41.7
95.04989	8.1
95.08607	32.2
97.06533	6.0
97.10169	22.0
99.08086	2.1
103.05480	1.8
105.06384	2.7
105.07034	30.7
107.04952	4.4
107.08601	31.0
109.06508	3.7
109.10154	16.9
111.04432	6.1
111.08068	6.0
115.05424	2.8
117.07017	17.8
119.08585	24.3
121.06501	3.1
121.10133	18.9
123.08064	3.2
123.11694	6.3
125.09640	20.3
128.06239	2.5
129.07025	8.0
130.07906	1.6
131.08563	23.3
133.10152	16.1
135.08046	5.2
135.11699	19.4
137.09647	3.2
141.07024	2.7
142.07768	1.8
143.08574	8.7
145.06474	2.0
145.10132	23.0
147.08070	1.8
147.11711	13.4
149.09653	3.9
149.13251	3.5
151.11121	2.7
153.09079	1.6
153.12743	6.2
155.08540	3.2
157.10175	7.8
159.11694	15.6
161.09650	1.7
161.13304	6.8
163.11188	10.7
163.14853	2.1
164.47186	1.5
169.10132	6.4
171.10287	2.4
171.11696	8.2
173.09641	1.9
173.12018	1.8
173.13211	9.6
174.38673	1.5
175.11223	1.6
175.14856	4.6
177.12787	2.6
181.10129	2.7
181.12245	4.3
183.11752	4.4
185.13261	6.0
187.14818	5.5
189.11227	11.7
189.12767	2.3
191.10672	4.1
193.12111	1.4
195.11719	2.3
197.13290	2.6
199.14853	3.3
201.16461	3.3
203.18034	1.8
209.11693	3.3
209.13437	2.1
211.14880	2.9
213.16310	2.1
227.12737	23.1
243.21146	2.4
249.89337	1.5
256.47028	1.4
259.20633	4.2
261.18237	1.6
261.22083	9.5
267.16101	2.3
273.22147	2.2
279.23016	1.6
283.15454	11.8
285.17200	1.4
299.23639	13.0
301.21701	3.4
315.23273	2.5
317.24832	9.1
333.24261	3.7
334.69696	1.5
335.25919	12.6
345.24350	2.2
357.23990	1.8
431.15170	1.6
433.31000	6.4
451.32050	12.7
469.33301	12.4
487.34180	8.1
507.34692	2.8
515.37384	4.0
525.35699	17.6
543.36829	100.0
561.37860	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	561.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.5
53.03936	4.4
55.01865	7.5
55.05270	3.1
55.05515	40.0
57.03446	14.9
57.07046	3.8
65.03931	3.4
67.05511	75.0
69.03430	6.3
69.07075	26.5
71.04985	8.8
79.05062	4.6
79.05492	54.2
81.03426	31.9
81.07063	72.8
83.04976	12.4
83.08635	24.1
85.02905	9.3
85.06568	2.8
91.05488	58.0
93.07047	55.4
94.64767	2.4
95.04980	16.7
95.08618	44.4
96.61989	2.2
97.06538	6.4
97.10159	14.3
98.21526	6.2
99.08069	3.3
105.04543	2.5
105.07040	57.2
107.04974	7.7
107.08612	32.5
109.06506	5.5
109.10163	30.6
111.08065	7.9
115.05471	5.1
117.07021	26.3
117.68656	2.4
119.08582	45.4
120.98328	2.4
121.06551	3.1
121.10147	21.5
123.08051	5.9
123.11714	5.7
125.09629	9.7
128.06198	5.3
129.07024	27.6
130.07799	3.1
131.08583	43.0
133.06548	3.2
133.10144	34.1
135.08121	5.8
135.11723	16.8
137.09648	4.0
141.07011	3.9
142.07768	4.4
143.08568	24.9
145.10133	29.8
147.08069	7.2
147.11679	25.2
149.09584	6.4
149.13269	7.5
155.08612	11.8
157.10159	18.2
159.11693	19.2
161.09686	3.3
161.13261	14.5
163.11217	4.9
169.10115	12.9
171.11682	18.7
173.09598	2.5
173.11894	3.9
173.13214	13.6
175.11194	6.2
175.14857	7.5
177.12773	4.5
179.14374	2.8
181.10110	9.5
183.11687	14.9
185.13240	14.7
187.11131	2.5
187.14793	6.9
193.10524	3.8
193.12230	21.1
195.11635	6.2
197.13210	7.9
199.14848	3.2
205.12270	2.5
207.11769	3.2
209.13283	9.1
211.13258	26.0
211.14946	3.9
215.17969	2.8
221.13344	3.3
223.14880	4.9
227.12817	10.1
229.14395	8.6
235.14674	3.3
241.19499	8.5
249.94945	2.6
255.15979	2.9
259.20615	22.6
267.15900	5.4
275.20120	4.9
277.21680	7.3
285.16827	16.5
297.22083	4.1
299.23483	4.2
313.21579	4.9
315.23169	8.4
333.24356	16.8
353.24591	2.9
389.26660	4.3
405.31665	3.6
415.29886	3.1
423.32294	6.5
433.31033	14.2
451.31989	15.5
469.32858	12.4
487.33893	4.5
499.34515	2.9
507.34421	4.8
515.37195	4.3
517.35297	3.0
525.35840	24.2
543.36871	100.0
561.38098	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05510	8.0
57.03433	11.6
57.43347	1.1
65.03921	2.0
67.05176	1.5
67.05506	18.1
69.03413	2.8
69.07059	3.9
69.22783	8.9
69.23195	1.7
71.04973	3.5
75.02000	1.0
79.05075	1.1
79.05495	16.9
79.89632	0.9
81.03419	71.3
81.06596	1.3
81.07062	19.6
83.04996	8.6
83.08621	19.8
85.02905	9.0
85.06552	1.6
91.05482	22.1
93.07038	12.5
95.04974	24.1
95.08601	10.5
97.02873	1.8
97.06510	2.9
97.10173	4.2
105.07043	14.1
107.04964	5.7
107.08589	5.6
109.06516	3.6
109.10184	2.5
111.04429	2.4
111.08103	7.4
113.05996	1.3
115.05447	1.1
117.06989	2.6
119.08601	15.0
121.06498	3.1
121.10151	8.6
123.08099	1.6
125.09627	2.2
127.28222	1.2
128.23909	1.0
129.07004	11.7
131.08554	10.9
133.06482	4.3
133.10110	6.3
135.08009	1.3
137.09601	1.5
142.07767	3.0
143.08575	1.6
145.06459	2.9
145.10115	2.4
147.08031	3.6
147.11678	8.6
149.09642	5.8
157.10114	13.6
165.12750	2.3
175.11174	13.3
193.12247	31.3
211.13313	21.2
231.13518	1.2
233.15479	1.1
249.14870	2.2
255.13849	2.0
255.21236	1.3
262.41891	1.3
265.42249	1.1
267.15924	100.0
273.14789	3.4
285.16971	20.9
349.21695	2.6
367.22720	11.1
368.84314	1.2
369.11435	1.3
385.23743	10.3
403.24786	3.6
433.25864	11.6
441.26498	6.0
459.27414	54.2
477.28476	43.6
547.34546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1946
Annotation	Moromycin B
Peak:m/z	Relative Intensity
53.03939	8.3
55.01864	8.5
55.05511	8.6
56.96553	5.0
57.03416	4.4
61.02910	7.8
67.05491	19.3
69.03413	11.8
69.07049	13.3
70.68890	11.5
79.05489	10.4
81.03397	9.6
81.07075	24.8
83.08624	4.4
85.02903	25.3
85.06554	5.8
85.92479	4.6
91.05492	26.1
93.07042	20.5
95.04963	12.6
95.08606	37.7
97.02878	10.2
97.10189	6.9
97.99106	5.1
98.97573	10.5
99.08069	12.0
99.97950	4.2
105.07037	34.7
107.04954	8.8
107.08605	30.2
109.02876	6.4
109.06483	8.9
109.10136	13.3
116.98608	5.3
119.04950	20.2
119.08587	35.8
121.06499	11.2
121.10184	33.0
123.03576	7.0
123.04436	100.0
123.11701	10.5
125.09663	4.9
127.03901	10.5
131.08571	12.3
133.06439	6.6
133.10136	64.3
135.04402	5.1
135.08012	5.5
135.11670	15.6
137.05995	11.9
139.03931	32.1
143.08556	6.7
145.04951	6.4
145.10106	12.8
147.04398	49.5
147.08047	9.0
147.11708	14.3
147.65065	4.6
149.13295	10.0
151.03912	44.6
151.07555	6.0
155.08572	5.9
157.10126	8.0
158.99638	8.0
159.08054	7.9
159.11674	10.7
161.06006	10.7
161.09584	8.0
163.03850	7.9
163.07465	7.0
163.14774	8.6
165.05489	33.6
165.09152	5.6
167.07089	8.6
169.10197	5.5
173.09641	7.8
175.07571	4.7
175.11230	5.9
175.14827	26.4
177.05487	20.3
179.07002	8.7
181.05025	5.6
187.14742	7.6
189.05420	5.3
189.09039	7.3
189.16266	5.6
193.05020	7.5
193.15860	15.0
203.14262	9.5
204.14572	5.0
205.08670	7.5
207.06438	13.7
215.14282	4.5
215.18076	7.2
217.08609	9.9
217.15839	4.9
219.01749	11.2
221.05009	5.8
229.08502	8.2
245.05070	12.6
257.11667	27.5
261.02945	5.7
263.06198	7.5
271.13135	11.0
279.03860	8.6
285.07358	6.9
289.60892	5.9
303.05292	7.3
303.08597	37.7
305.07321	7.4
313.18005	60.2
331.19113	19.6
357.13147	5.9
405.31097	4.6
411.14700	32.1
422.01550	12.3
423.18530	5.5
423.32489	4.9
447.21518	4.8
465.22748	74.7
498.98645	6.1
529.92224	4.9
562.73303	9.3
563.18762	7.7
563.35437	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	563.2102
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
52.39931	0.3
59.51441	0.3
59.51738	0.3
71.52969	0.3
71.53384	0.5
79.05508	0.4
83.01097	0.3
95.01100	0.9
96.01877	0.5
97.60265	0.3
103.05492	0.4
107.04955	0.8
113.02152	1.3
119.04922	0.3
122.73975	0.3
131.04982	0.4
133.06448	0.4
137.06010	1.0
139.05818	0.4
147.04457	0.5
157.04799	0.3
159.04175	0.4
161.06007	0.4
163.05818	1.0
163.07562	1.0
179.08919	0.8
180.08434	1.8
185.04243	2.5
189.05264	0.4
201.03732	1.3
202.06078	1.7
203.05287	5.4
203.07097	0.5
204.07495	4.2
205.08376	0.5
221.09851	1.8
237.10684	0.4
262.12619	0.4
283.11163	5.1
283.14096	0.6
307.11078	1.5
353.13501	1.8
365.11710	0.5
365.15598	0.9
366.13190	0.3
383.16476	3.1
401.15894	0.9
457.69904	0.4
563.21051	100.0
564.21326	1.0
589.02356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44102	0.3
54.21965	0.3
56.68806	0.4
70.62082	0.9
85.02908	0.6
91.05523	0.3
98.97587	0.3
114.43361	0.3
127.03853	0.3
128.98801	0.3
134.91805	0.3
137.06006	0.5
139.03835	0.4
141.40469	0.3
159.04218	2.3
201.03802	0.5
203.05418	0.5
287.27979	0.3
289.03494	0.7
337.12665	1.1
351.10535	1.3
365.12259	1.1
366.12872	2.6
380.82916	0.3
401.08090	0.4
515.18536	0.4
563.21027	100.0
564.21088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20373	0.7
55.05521	0.9
57.07074	2.2
67.05504	1.0
69.07069	1.5
71.08642	1.1
71.54265	0.8
81.07035	1.6
83.08609	1.1
93.07053	0.8
95.08619	1.8
109.10163	1.3
110.03942	0.8
142.49702	0.7
175.95950	0.8
251.12624	3.0
307.15189	4.2
313.27554	0.8
563.39215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01855	6.3
55.05512	35.5
57.03433	11.1
57.07069	4.7
59.05005	1.8
65.03934	3.9
67.05506	85.1
69.03430	4.1
69.06727	2.2
69.07067	25.8
70.07205	7.8
71.04977	6.0
79.05495	51.2
79.05962	2.6
81.03426	28.4
81.07056	85.9
83.04975	14.0
83.08620	22.4
85.02888	10.3
85.06519	5.4
90.98051	1.8
91.05485	46.9
93.06481	3.9
93.07046	58.3
95.04966	13.0
95.08604	61.9
95.15087	1.7
97.06522	10.6
97.10171	14.9
99.08070	4.4
105.07036	43.5
107.04948	7.0
107.08599	38.6
109.06531	4.9
109.10157	33.5
109.32619	1.8
111.04424	7.2
111.08072	8.6
113.06005	2.4
115.05400	2.1
117.07010	11.7
119.07801	2.9
119.08574	35.7
121.06512	4.7
121.10159	25.2
123.08045	5.4
123.11705	12.9
125.09628	10.4
129.06999	11.9
131.08572	32.8
133.10144	27.9
135.08066	4.4
135.11688	21.9
137.09540	2.1
137.13248	3.2
141.07024	2.7
142.07825	3.8
143.08569	7.8
145.06509	2.0
145.10130	23.2
147.08040	2.5
147.11696	21.6
149.09625	6.4
149.13257	11.3
151.11110	2.5
153.12761	2.8
155.08511	4.6
157.10141	14.9
159.11722	16.3
161.13242	9.7
163.11185	6.1
163.14824	4.5
165.12737	2.1
169.10095	4.7
171.11668	6.9
173.09593	1.8
173.11850	2.9
173.13216	12.5
175.11151	6.0
175.14825	4.5
179.14436	2.5
181.10107	2.7
181.12224	5.3
183.11697	6.0
185.13258	7.2
187.14803	7.2
189.11206	3.8
189.12836	2.2
191.10648	4.3
193.12247	18.4
195.11772	2.6
197.13271	4.1
197.56306	2.1
199.14790	3.9
205.96344	2.4
209.13327	2.8
211.13258	32.0
211.14993	3.5
213.16418	3.1
221.15244	2.2
222.16571	1.8
227.12715	11.0
229.14278	5.8
243.16052	3.2
243.21130	2.7
261.22174	16.9
267.15878	4.9
275.19751	2.8
279.23071	5.5
283.15421	3.2
285.16824	15.4
285.22034	5.3
299.23642	2.4
301.25244	3.9
303.23138	7.0
317.24738	5.7
335.25754	30.9
341.24832	2.4
359.25720	3.5
369.87857	2.0
391.28552	2.1
435.32428	8.5
453.33597	10.9
471.34705	10.9
473.32373	5.2
481.44067	2.1
487.34085	5.0
509.36154	4.7
527.30054	3.5
527.37329	39.4
545.38385	100.0
547.19189	2.1
563.39606	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	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.8
55.01868	5.3
55.05273	2.2
55.05521	34.2
57.03435	11.6
57.07054	2.7
59.05016	2.6
64.96391	1.7
65.03931	4.7
67.05513	76.2
69.03432	3.4
69.06771	1.9
69.07078	18.3
70.85221	2.0
71.04985	7.0
71.08582	2.3
79.05070	3.0
79.05504	46.0
81.03423	27.7
81.07065	79.8
83.04984	8.7
83.08619	26.0
85.02910	8.7
85.06538	5.5
85.59655	1.9
91.04979	3.1
91.05494	42.6
93.07053	60.8
94.53925	2.5
95.04990	17.5
95.08618	55.9
97.06554	10.4
97.10181	19.0
99.08081	5.1
101.67415	2.2
103.05471	2.1
105.07045	40.1
107.04969	4.3
107.08613	30.5
109.06516	6.7
109.10166	33.8
111.04439	8.0
111.08092	7.9
114.17391	2.0
117.07053	13.2
117.07731	2.0
119.08595	36.6
121.10139	25.3
122.09893	2.0
123.08066	5.0
123.11735	13.6
125.09628	11.0
129.07018	12.5
131.08592	30.3
133.06465	2.9
133.10146	26.3
135.08002	5.2
135.11707	20.2
137.09654	4.4
137.13248	4.1
139.11208	3.5
141.06993	3.7
143.08578	9.0
145.10135	26.6
147.08031	3.2
147.11720	22.4
149.09657	6.2
149.13242	7.9
153.12823	2.7
155.08560	3.7
157.10135	15.4
159.11737	17.5
161.09694	2.4
161.13271	6.0
163.11116	5.5
163.14870	2.4
165.12791	2.3
169.10101	5.9
171.11700	8.0
173.09741	2.1
173.13275	16.6
175.11197	9.7
177.12785	3.8
181.10301	3.5
181.12175	4.0
183.11760	5.4
185.13297	7.9
187.11223	2.3
187.14847	6.6
189.11217	6.3
191.10732	2.7
191.14439	2.8
193.12213	20.2
195.11760	3.0
195.13913	2.8
197.13246	5.7
199.14841	4.2
201.16409	3.4
210.43974	2.1
211.13281	38.2
211.15002	3.9
223.14754	3.0
225.16373	2.9
227.12770	10.9
229.14410	6.5
243.21252	2.1
258.89490	2.2
261.22253	13.5
263.19891	2.3
267.16016	5.6
279.23163	3.5
283.15427	2.4
285.16968	24.5
285.22006	4.7
301.21399	2.5
301.25110	2.4
303.23325	10.2
317.24750	6.8
329.24725	2.6
335.25940	23.1
341.24924	2.6
359.25934	3.9
417.31830	3.1
417.98987	2.3
435.32663	11.9
446.33234	2.7
453.33994	10.8
471.34839	13.7
473.32840	6.4
487.34396	2.9
489.35745	3.9
505.35065	2.6
509.36111	4.8
527.37433	42.1
545.38379	100.0
563.39404	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28014	1.9
53.03934	4.4
55.01858	7.7
55.05514	33.5
57.03425	11.6
57.07057	2.5
59.04996	2.4
65.03941	4.7
67.05505	86.1
69.03415	4.3
69.07069	22.9
70.06853	4.4
70.07238	4.7
71.04975	7.3
77.81047	2.0
79.05071	3.9
79.05494	52.3
81.03415	25.0
81.07059	94.4
82.07368	3.0
82.31485	2.2
83.04984	14.3
83.08620	24.4
84.70020	1.8
85.02885	7.5
85.06533	5.6
91.05484	44.5
93.07044	66.4
94.07336	2.2
95.04987	14.4
95.08607	58.2
96.08990	2.4
97.06535	10.2
97.10178	18.2
99.04434	2.5
99.08104	3.5
105.07031	47.9
107.04937	3.3
107.08595	37.6
109.06516	6.0
109.09456	3.2
109.10152	33.2
111.04426	6.5
111.08067	12.2
115.05417	3.1
117.07008	15.5
119.07710	2.0
119.08578	39.9
121.06559	2.2
121.10133	28.8
123.08049	4.6
123.11720	10.9
125.09650	12.7
128.06169	3.5
129.07018	13.4
131.08562	33.9
133.05467	2.0
133.10139	26.6
135.08040	6.5
135.11674	20.1
137.09616	3.9
137.13254	2.9
143.08556	11.8
145.10126	24.5
147.10678	2.1
147.11699	24.6
149.09598	6.0
149.13290	10.6
153.12729	4.9
155.08546	3.5
157.10101	20.0
159.11710	16.4
161.09604	2.1
161.13248	8.5
163.11142	5.9
163.14874	3.2
165.12706	3.5
169.10107	8.2
171.11705	11.1
173.11855	3.4
173.13240	13.7
175.11176	6.7
175.14835	5.6
177.12769	4.3
179.14301	2.3
181.10178	2.8
181.12227	4.2
183.11685	4.6
185.13228	5.8
187.13297	2.7
187.14804	6.6
189.11203	3.9
191.10619	2.2
193.12244	19.7
195.11635	2.2
197.13304	5.5
199.14824	4.3
211.13243	22.0
211.14999	2.2
213.16440	2.9
215.17935	3.1
225.16202	2.5
227.12857	11.8
229.14302	6.8
243.21075	2.8
261.22128	14.5
267.15933	5.9
277.21848	2.2
285.16968	12.2
285.22049	5.2
301.25156	3.6
303.23163	5.3
315.23294	2.5
317.24771	4.0
335.25778	24.9
341.24655	2.6
351.25067	2.6
359.25659	3.3
405.40674	2.3
435.32599	11.6
453.33524	15.1
471.34671	11.3
473.32776	3.4
487.34418	5.7
509.36060	5.9
527.37280	39.5
545.38342	100.0
563.39502	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	563.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
53.14449	1.5
55.01867	6.7
55.05513	42.3
55.57492	1.3
57.03444	11.7
57.07079	2.8
58.76220	1.5
59.05010	1.8
65.03934	3.5
67.05506	88.1
69.03428	4.0
69.07066	25.5
71.05004	8.4
71.54749	2.9
71.55120	2.1
77.03928	1.7
79.05495	55.4
81.02991	1.8
81.03428	22.2
81.07060	95.5
81.92541	1.8
83.04985	14.9
83.08622	25.1
85.02912	8.4
85.06530	4.4
91.05483	53.2
93.07046	56.9
94.07377	1.9
95.04982	12.5
95.08609	67.6
97.06534	11.3
97.10177	14.7
99.08081	4.2
101.06036	1.6
105.07027	44.3
107.04940	5.2
107.08597	38.3
107.99956	1.5
109.06522	5.1
109.10162	34.8
111.04472	4.1
111.08096	9.7
113.16048	1.5
115.05454	2.5
117.07019	19.9
117.57037	1.5
119.04862	1.7
119.08585	41.3
120.08944	1.5
121.06486	3.6
121.10149	30.5
123.08062	5.2
123.11710	12.8
125.09641	12.2
128.06238	2.7
129.07018	13.2
130.07755	2.0
131.08569	33.1
133.06526	2.8
133.10141	29.6
135.08078	2.6
135.11694	19.3
137.09608	4.8
137.13248	3.9
139.11166	3.5
141.07007	2.5
142.07791	3.2
143.08592	12.5
145.10115	26.7
147.08051	4.1
147.11693	22.4
149.09634	7.5
149.13272	9.8
151.11163	2.9
153.12778	4.2
155.08586	6.8
157.10129	16.4
159.11703	22.5
161.13268	12.5
163.11206	6.9
163.14758	3.7
165.12743	4.4
169.10187	7.8
171.11710	10.8
173.09740	2.0
173.11850	2.3
173.13237	15.8
175.11171	7.7
175.14807	3.4
176.40332	1.6
177.12755	4.0
179.08548	1.8
181.10126	2.3
181.12263	4.6
183.11664	9.2
185.13260	7.0
187.14828	7.4
189.11249	8.1
189.12714	2.3
189.16261	3.4
191.10675	2.3
193.12239	18.1
195.11613	2.0
197.13284	5.7
199.14735	4.7
201.12700	1.7
201.16455	2.4
207.11737	2.4
207.44667	1.4
209.13448	1.9
211.13258	27.1
211.14938	2.4
213.16411	2.5
221.15379	2.0
223.14870	1.6
223.16911	2.0
227.12802	11.7
229.14362	7.2
233.15465	1.9
233.18967	1.6
243.15784	2.6
243.21114	3.3
245.19139	1.8
261.18839	1.9
261.22089	10.4
267.15894	5.4
269.17453	3.7
271.20410	1.8
277.21616	2.1
279.23135	3.7
285.16956	13.9
285.22089	3.2
287.23627	1.9
289.21677	3.2
299.23593	2.7
301.21799	2.6
301.25241	7.1
303.23099	6.8
305.21222	2.1
315.23306	2.1
317.21375	1.8
317.24854	4.9
327.23318	2.1
333.24268	1.7
335.25827	17.2
341.24826	1.6
359.25836	2.7
363.25391	2.3
373.27209	2.2
391.28662	1.6
403.42822	1.7
417.31360	3.7
433.29736	2.1
435.32654	11.9
453.33957	12.0
471.34760	9.7
473.32477	5.2
487.34116	5.0
505.35327	1.8
509.36215	2.2
527.37372	41.7
545.38428	100.0
563.39490	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	564.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
61.02925	4.2
63.53414	1.9
69.03429	6.2
69.26926	8.4
69.27350	8.4
81.03406	4.1
85.02899	14.0
94.01331	2.0
97.02892	5.3
98.21484	3.3
98.66765	2.0
103.05483	2.8
117.52338	1.9
118.04163	2.6
119.03465	3.3
123.04382	2.3
127.03953	4.0
131.04947	13.7
133.06410	2.3
139.03909	3.2
145.04887	2.6
146.03625	2.4
147.04390	2.6
157.06464	4.0
161.05959	5.9
169.06531	3.8
173.05994	3.8
176.04724	2.7
177.05501	2.7
180.07788	4.3
183.08289	2.1
185.05986	5.9
186.06770	3.3
187.03949	11.1
189.05490	9.6
191.07065	23.3
193.08603	3.4
197.06026	7.0
197.12170	2.0
203.07047	2.7
204.04289	9.8
204.05798	2.0
205.08563	4.4
207.06683	2.5
213.05502	3.8
214.06305	2.7
215.07133	9.4
217.04941	6.1
217.08653	4.9
218.05760	3.6
219.06543	18.5
229.08611	5.1
231.02896	2.9
231.06665	5.0
233.08084	1.9
242.05798	2.0
243.06548	8.5
245.04497	9.3
245.08150	5.7
247.09686	7.4
249.07710	2.9
257.08148	13.8
260.06711	15.9
263.05527	7.5
273.07568	6.7
275.09140	98.4
277.04129	2.9
277.07114	16.0
287.05493	6.7
293.10059	2.1
299.48029	2.1
301.07092	8.8
303.01257	3.8
304.21036	2.2
319.08145	35.6
337.09192	100.0
385.11218	9.3
504.08566	2.1
594.67004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1556
Annotation	Isomollupentin 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03956	0.6
55.01877	0.7
55.05504	0.8
57.03433	2.1
61.02926	2.4
67.05512	1.0
69.03434	6.1
71.04984	1.0
71.54103	0.8
73.02908	3.0
79.05504	1.1
81.03415	3.6
81.07053	0.9
85.02918	14.5
87.04458	1.6
89.60381	0.6
89.92252	0.6
91.05489	1.3
93.07041	1.3
95.04961	0.6
97.02906	5.9
97.06552	0.7
98.97587	1.8
105.07027	1.5
107.04926	1.3
109.02880	2.6
109.10204	0.7
111.04470	0.6
115.03925	2.9
119.01856	0.7
119.04923	3.6
119.08611	1.1
121.02883	11.4
121.10086	0.8
123.04457	0.8
123.08102	0.8
127.03902	2.8
133.06429	0.9
137.05966	2.1
137.09662	0.7
139.03886	1.1
145.02866	1.9
145.04903	1.5
147.04344	1.0
151.03908	0.7
153.01825	2.7
161.06056	0.9
163.03940	2.9
165.01854	3.6
167.03395	1.4
167.07021	2.6
171.03050	0.7
175.03932	1.3
178.99944	0.6
179.03314	0.9
181.04919	1.7
183.02928	1.3
187.03865	0.6
191.03381	1.3
193.05069	0.8
193.08560	1.1
195.02940	3.0
195.06473	0.7
203.03401	0.7
205.05003	2.6
207.02867	0.8
211.09598	1.3
213.05685	0.8
229.05026	1.0
231.02931	1.9
237.02853	0.8
239.07259	0.8
243.06648	1.1
249.03958	0.9
255.06601	2.0
256.07315	2.6
267.06552	3.4
270.05234	2.6
271.06049	49.9
272.05914	0.7
279.06680	1.4
279.10007	2.1
279.60123	1.2
280.10876	1.0
281.08051	4.4
283.06039	53.2
284.06818	18.9
285.07697	1.9
287.05566	4.2
293.08121	1.8
295.06067	14.6
297.07590	14.6
297.86902	0.7
299.05521	0.9
305.08206	0.9
307.06012	2.2
309.07574	14.7
311.05707	1.1
311.09192	5.0
313.07080	72.2
321.03925	0.9
321.07602	13.2
323.05475	2.1
325.07126	7.6
337.07083	33.8
338.07675	0.9
339.08536	3.5
343.08047	5.0
349.07101	15.1
355.08310	1.2
367.08142	59.5
380.63004	0.8
385.09235	24.3
403.10266	100.0
475.12448	1.0
505.19562	0.9
515.13129	2.3
545.47430	0.7
564.33990	1.6
565.14539	12.6
565.34821	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
55.01875	4.0
68.99791	1.9
69.50854	9.8
75.03238	1.5
85.02922	3.3
103.03922	2.0
107.04966	2.5
107.14626	1.8
119.04917	5.8
121.02874	29.4
137.16687	1.7
145.02834	3.1
163.03905	2.3
164.24965	1.5
177.01814	2.9
183.04408	2.0
187.03920	1.9
189.01862	9.8
191.03322	3.8
193.12756	1.6
195.02957	2.5
199.03842	2.7
201.01714	2.2
201.05440	1.9
203.03375	12.4
205.04889	1.7
207.02859	2.9
215.03395	4.4
217.04956	4.1
219.02838	4.7
225.05524	2.4
227.03418	3.3
233.04465	3.4
243.02765	2.6
245.04427	3.0
255.02902	3.2
257.04425	1.8
267.06403	2.3
268.07364	3.5
279.06488	2.6
281.08203	2.5
283.06058	4.8
293.08066	2.8
294.05405	12.6
295.06018	51.4
296.06601	5.0
297.07626	5.7
300.84784	2.0
305.07986	4.3
307.06009	40.3
307.09549	2.5
308.06839	15.9
309.07498	13.6
313.06979	1.9
319.06042	3.9
320.06854	4.4
321.07584	34.0
322.08426	5.7
323.05612	2.4
323.09250	5.1
325.07065	50.4
329.08002	3.4
333.07590	15.4
334.08304	5.0
335.09109	16.2
336.06345	2.7
337.07074	36.9
339.08786	4.4
345.07513	11.3
346.08228	2.0
347.09155	5.9
348.06308	1.9
349.03079	2.9
349.07068	39.7
351.08704	19.5
355.08215	7.1
359.08926	2.1
361.07037	20.0
361.10910	2.1
363.08615	28.3
367.08096	5.4
373.07083	11.5
373.10925	2.0
375.08664	8.1
379.08148	52.9
387.08719	4.7
389.10309	3.2
391.08142	45.2
393.34961	1.8
397.08987	4.1
399.08432	2.5
401.10373	3.4
403.08047	8.7
405.09698	3.4
409.09225	68.3
415.08395	6.6
417.09546	3.5
421.09225	5.6
427.10291	100.0
433.09091	8.6
439.10220	5.3
445.11026	9.3
451.10162	3.5
457.10971	11.2
463.10284	6.5
469.11334	5.0
475.11487	8.5
481.11343	30.4
493.11404	9.1
499.12418	27.7
511.12430	70.5
515.12787	2.6
529.13477	44.9
547.14618	23.1
565.15112	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	565.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65982	0.6
53.03929	1.6
55.01854	1.0
55.05515	6.2
57.03416	1.9
58.82735	0.6
59.04985	0.7
59.98812	0.6
61.02917	1.5
67.36931	0.6
68.99761	0.6
69.03448	4.5
70.98215	0.9
70.98573	1.3
73.02930	1.0
79.05480	2.7
79.51795	0.7
81.03431	3.8
83.04980	6.0
85.02906	7.4
89.03867	0.7
89.35883	0.7
91.05489	3.4
91.39061	0.6
93.07034	1.2
95.04964	1.6
97.02887	6.1
101.06007	1.8
103.05460	2.9
103.15807	0.7
105.07035	9.4
107.04922	1.9
107.08571	0.8
109.02898	3.1
109.06503	1.1
111.26759	0.6
118.04188	3.0
119.04940	2.3
121.02843	0.8
121.06505	2.0
122.30494	0.6
123.08071	1.0
124.05230	0.7
124.86663	0.7
125.05966	0.7
127.03915	5.2
131.04950	1.2
133.02948	0.7
133.06499	8.8
135.04407	1.2
135.08008	1.7
137.02310	2.7
137.06024	3.2
145.05016	3.9
145.06111	0.6
147.04369	1.5
148.05177	0.9
149.06026	3.0
150.06802	5.7
151.07542	1.2
153.01819	3.2
161.05981	1.9
163.03911	1.6
163.07547	0.8
165.01814	1.7
165.09117	7.2
167.07071	8.1
177.05441	2.2
178.06248	1.0
179.07024	1.3
183.02859	0.8
187.06012	1.1
189.05240	3.6
191.06946	0.8
193.08618	26.4
201.05460	1.7
205.07019	0.9
209.08025	1.1
211.09659	20.2
217.04738	0.8
219.06316	5.7
225.12233	0.7
227.09099	1.4
229.04959	3.8
232.07069	31.4
233.07785	2.1
234.08632	73.5
235.09416	9.7
245.10226	2.3
247.06059	0.8
257.04416	2.5
274.04639	0.8
275.11270	0.7
285.03827	0.9
287.05524	0.8
303.05008	97.2
317.06635	1.1
323.05615	0.8
345.06064	1.6
353.06580	1.1
413.15771	7.4
443.16797	6.5
545.87329	0.7
565.17120	100.0
566.17456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01875	1.2
57.03437	6.0
61.02924	1.1
67.09914	0.5
69.03421	1.2
69.50614	4.1
71.04993	9.7
73.02914	0.8
75.04485	3.5
75.86887	0.6
79.05511	1.4
81.03441	0.8
83.04975	1.5
85.02908	17.8
85.64532	0.7
87.04475	1.1
95.04975	1.6
97.02880	0.7
103.03963	0.6
103.05456	0.9
105.07032	19.1
107.04949	2.3
109.06556	1.0
111.04436	2.4
115.05491	0.8
117.07035	1.2
119.04963	0.8
121.02879	3.0
122.03608	1.3
129.05478	3.8
131.04951	0.6
133.06496	51.9
137.05978	88.0
145.04968	0.9
147.06523	2.3
148.51602	0.6
151.07521	2.9
161.05952	0.6
161.09602	0.6
163.07516	4.4
165.09122	30.5
175.07530	3.8
177.09131	1.9
181.08621	2.4
183.10172	23.8
189.09177	0.9
193.08623	0.9
203.03343	0.9
203.10712	2.0
209.11803	1.1
221.11720	4.1
221.72633	0.6
239.12807	2.9
251.13004	0.6
257.13840	100.0
281.09357	0.7
281.13885	1.4
294.05270	1.1
295.05936	4.3
297.07538	0.6
302.10132	1.6
307.05948	2.6
308.06589	0.8
309.07690	1.2
319.05832	0.8
320.06622	0.9
321.07544	2.1
325.07141	4.1
333.07687	1.3
335.09155	1.8
337.07092	4.0
339.09787	1.0
345.07574	1.0
349.06989	3.6
349.16299	2.9
351.08636	0.8
355.07944	0.7
361.06995	2.2
363.08609	1.1
367.07886	1.0
367.17429	1.0
369.67053	0.7
373.06900	1.6
375.08481	0.8
379.08005	4.4
391.08264	3.7
403.08188	0.7
409.09232	7.1
415.07751	0.8
427.10202	9.4
433.09039	1.2
457.10992	0.8
469.12524	1.0
475.12314	1.0
481.11099	2.0
499.12363	1.6
511.12509	5.5
515.12823	1.8
529.13525	2.8
547.14569	1.6
565.15454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4046
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03947	3.2
54.30798	0.8
55.05510	9.6
57.03446	1.2
57.07072	5.5
59.05006	1.9
65.03962	2.0
67.05506	15.4
69.03429	3.9
69.07073	11.0
69.43583	6.7
69.44755	0.8
71.04995	1.0
79.05493	13.2
81.07060	20.9
83.04981	4.5
83.08624	5.3
85.06551	2.8
87.04491	1.1
91.05484	20.7
91.06016	1.7
93.07047	25.2
95.04977	7.6
95.07985	1.4
95.08608	18.4
97.06534	3.8
97.10194	1.6
98.20724	1.2
99.08121	0.9
103.05483	2.6
104.06332	1.0
104.60403	1.0
105.07033	38.7
106.07868	1.0
107.04923	1.1
107.08605	23.0
109.06530	4.9
109.10165	14.9
115.05463	3.0
117.07033	10.7
119.08591	46.1
121.06502	2.2
121.10149	29.5
123.08087	7.3
123.11721	4.1
125.06004	1.6
125.09679	1.9
128.06253	8.1
129.07014	8.0
130.07796	4.7
131.08578	18.2
131.91093	1.2
133.06468	1.0
133.10143	28.0
135.08037	5.2
135.11682	9.6
137.09647	3.8
139.11215	1.7
141.06976	5.1
142.07793	11.1
143.08560	20.0
144.09384	3.5
145.06436	1.3
145.10129	30.1
145.98969	1.3
147.08073	6.6
147.11705	10.1
149.09616	6.2
149.13303	1.9
151.07568	2.5
153.07022	1.9
154.07846	1.7
155.08565	9.6
155.10680	2.3
156.09352	10.2
157.10150	28.8
158.10898	5.0
159.08067	3.2
159.11697	16.1
161.09695	2.6
161.13304	4.7
163.11234	4.6
165.07037	4.2
165.09100	8.1
166.07855	2.4
167.08554	5.2
167.10667	9.3
168.09387	3.7
169.10150	16.2
170.10878	5.6
171.11703	20.3
171.13158	1.4
172.12520	1.8
173.09651	2.3
173.13257	12.6
175.11189	2.1
175.14793	5.0
177.12776	1.2
178.07962	1.1
179.08583	8.7
180.09377	2.9
181.10107	11.7
181.12291	4.3
182.10916	5.8
183.11676	12.5
184.12558	1.5
185.09621	1.0
185.13261	13.5
187.11258	1.5
187.14818	5.9
189.12772	2.3
189.16479	1.1
191.14371	1.3
192.09380	3.1
193.10168	10.2
193.11928	1.6
194.10982	6.5
195.11717	12.9
196.12421	4.6
197.09595	1.1
197.13278	14.6
198.13991	1.9
199.11147	1.2
199.14833	7.8
201.12973	1.1
201.16406	4.1
203.14360	3.8
205.10176	3.4
206.10947	4.3
207.11763	11.3
207.13832	3.1
208.12447	4.6
209.13306	17.9
209.15172	1.3
210.14095	1.3
211.14873	8.1
213.16469	3.8
215.14415	2.2
217.10167	2.1
218.10941	2.8
219.11783	3.4
220.12508	4.1
221.13280	9.1
221.15434	16.9
222.13983	2.7
223.14812	9.4
224.15495	1.2
225.12851	1.5
225.16328	4.9
227.14479	1.4
229.15973	1.1
230.10925	1.4
231.11662	4.8
231.17569	1.3
232.12527	3.5
233.13315	8.0
233.15417	2.9
234.13966	2.4
235.14871	9.5
236.15637	1.4
237.16373	5.8
239.18045	3.6
241.19614	1.0
243.11804	2.2
245.13206	4.8
246.14162	3.9
247.14784	6.5
247.16954	1.0
248.15689	1.8
249.16443	4.4
250.17181	1.4
251.18024	6.0
253.19632	3.1
255.11784	1.4
257.13309	2.7
258.14160	2.1
259.14923	3.6
260.15759	1.2
261.16479	4.4
262.17041	1.3
263.17947	5.0
265.19540	7.0
269.13284	1.5
271.14847	2.9
271.20392	1.0
273.16425	3.0
274.17239	1.9
275.18021	4.4
277.19568	4.3
279.21011	1.5
281.13293	1.3
281.19156	2.2
283.15103	1.7
283.20605	2.6
285.16306	2.3
287.18008	2.7
288.18594	1.2
289.19684	4.3
291.21152	2.1
295.14853	1.1
301.19498	1.6
303.21161	2.0
307.20651	1.8
313.19482	1.4
315.21161	1.8
317.22711	2.6
329.22809	1.6
330.23703	1.0
331.24335	4.2
335.23645	1.0
343.24237	3.0
347.23792	2.1
355.24350	1.3
357.25830	2.7
365.24869	5.1
385.29034	1.5
409.29150	1.3
425.28445	1.4
459.32159	1.1
473.34058	6.6
491.33429	1.1
509.33914	2.3
529.38568	2.2
547.39484	15.2
565.40466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01881	17.9
55.05271	3.0
55.05519	43.2
57.03440	8.8
57.07079	29.3
65.03928	3.2
67.05510	71.4
69.03434	4.8
69.07072	40.0
71.01357	3.9
71.04991	6.4
71.08642	16.8
71.53613	3.0
72.26907	2.2
76.86120	2.2
77.74989	2.2
79.05502	38.9
81.03429	24.5
81.07069	72.1
82.04215	5.7
83.04995	13.0
83.08634	30.7
85.02917	3.5
85.10194	10.2
91.05492	28.1
93.07050	33.9
95.04984	41.0
95.08618	54.8
97.06549	9.7
97.10186	17.7
98.07308	3.4
105.07031	21.7
107.04984	10.4
107.08609	30.9
109.02895	4.0
109.06575	4.5
109.10158	33.5
111.08098	6.3
111.11715	3.7
117.06989	11.6
119.08591	20.0
121.10159	23.4
123.04453	38.8
123.08103	5.4
123.11742	7.3
125.09654	9.4
127.11240	3.9
128.06180	2.5
128.50656	2.6
129.07010	7.2
130.85512	2.5
131.08585	8.8
133.10123	13.5
134.00281	2.5
135.08081	4.6
135.11734	17.5
137.06027	3.7
137.09581	2.9
142.07755	3.3
143.08595	4.8
145.10141	15.0
147.08083	5.1
147.11707	10.3
149.09654	4.4
149.13252	5.6
153.09152	4.3
157.10184	8.6
158.05762	2.6
159.11719	2.5
163.11237	8.4
163.14896	3.1
165.12825	3.4
169.10222	3.6
171.06567	8.4
171.10419	2.7
171.11740	9.8
173.09683	5.6
173.13222	3.6
175.11197	3.0
183.11630	3.2
185.08134	4.5
189.12755	5.3
191.10724	3.5
193.12283	6.7
195.11810	3.9
197.13269	3.2
207.13925	4.5
209.11667	2.7
211.13409	6.4
217.12294	4.5
220.74625	2.4
227.12758	4.2
229.14439	2.6
235.13280	40.7
235.15236	3.5
253.25296	2.3
255.15976	5.7
267.16046	5.4
309.16980	27.5
310.30811	2.7
313.27386	44.0
313.30734	3.9
324.51465	2.9
325.24576	2.5
337.27554	6.1
341.27106	2.8
393.30127	6.2
421.33240	5.7
473.36627	2.7
547.39874	44.6
565.40997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43615	0.5
54.58270	0.4
54.73749	0.4
55.01868	0.7
55.05505	1.0
56.65351	0.5
57.03447	0.8
59.05002	0.9
61.02927	1.7
64.52951	0.5
67.05502	1.2
69.03133	0.4
69.03441	4.2
69.07072	1.2
69.26072	0.8
69.26478	3.1
71.04995	1.4
73.02908	0.7
74.51981	0.4
79.05505	0.7
81.03416	1.4
81.07060	2.2
83.01321	0.5
83.04984	4.6
85.02915	13.2
87.04489	1.3
91.05487	1.2
93.07047	1.5
95.04950	0.6
95.08619	3.0
97.02922	4.1
97.06542	1.5
99.04437	0.8
100.11256	1.2
101.06033	4.4
105.07034	3.0
107.08611	20.3
109.02887	1.0
109.06525	7.8
109.10174	4.1
111.08108	0.9
113.05898	0.4
119.08590	2.5
121.10148	5.8
123.08078	9.4
127.03934	2.9
127.07555	0.6
130.55713	0.5
133.06525	0.7
133.10132	1.7
135.08093	0.6
135.11719	1.7
137.09636	9.8
137.13280	1.5
139.11166	0.9
141.09126	0.7
145.04997	1.9
145.10120	1.6
147.08072	0.8
147.11694	2.2
149.09637	3.1
151.07552	1.5
151.11203	17.1
156.09314	0.9
161.09669	1.2
161.13283	4.8
163.11201	5.0
163.14847	0.5
165.12755	1.8
171.11707	2.0
179.14360	3.1
189.12794	4.6
191.14400	0.8
207.13834	41.5
211.17068	0.7
221.87401	0.5
225.14882	100.0
226.15485	0.6
237.02525	0.5
243.46046	0.5
309.17410	0.4
364.50070	0.5
387.20123	5.8
566.42645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
53.97348	1.6
55.01884	3.0
55.05513	9.5
57.03435	5.6
57.07074	2.5
59.04996	3.3
61.02925	2.5
64.28077	1.3
67.05502	11.8
69.03433	24.0
69.07082	8.4
69.48935	6.3
69.49356	3.3
71.04995	25.5
73.02915	3.3
73.06562	4.1
79.05497	14.1
81.03420	3.7
81.07059	38.9
83.04981	3.6
83.08630	5.1
84.96033	1.3
85.02916	20.2
85.06541	3.2
87.04469	13.3
91.05482	15.7
93.07050	24.3
95.04959	5.5
95.08616	23.5
97.02896	21.7
97.06526	6.3
97.10165	5.9
98.97599	3.5
99.04466	3.7
99.08089	14.8
103.05443	2.4
105.07039	57.6
107.04948	1.3
107.08599	24.2
109.02917	4.8
109.06524	4.2
109.10165	16.1
111.08069	3.1
115.03940	19.6
117.07024	4.6
119.04948	2.4
119.08594	25.1
121.02862	1.5
121.06514	4.0
121.10167	15.4
123.08121	2.4
123.11705	8.6
125.09635	41.0
127.03930	5.9
127.07564	6.3
127.11189	9.8
129.07053	1.6
130.07751	1.7
131.08575	11.8
133.04964	18.7
133.06503	1.5
133.10138	100.0
135.08063	2.4
135.11679	7.1
137.06029	3.1
137.09633	2.6
139.03917	2.2
139.11195	3.3
143.10684	96.6
145.04945	3.7
145.10127	16.9
147.04382	6.4
147.08012	1.8
147.11703	26.1
148.04788	2.0
149.09592	2.7
149.13252	15.6
151.11208	6.4
155.10760	1.9
157.10098	1.8
159.11719	14.5
161.09607	3.4
161.13214	8.3
162.44815	1.4
163.03879	1.5
163.11247	2.6
165.09106	1.5
165.12708	2.1
167.07019	3.5
167.14328	37.2
169.12280	5.4
171.11725	1.5
173.13269	3.3
175.14798	2.5
177.12836	1.6
185.08170	2.9
191.14290	2.0
191.18022	2.2
201.16376	16.3
203.14085	1.3
203.17960	1.7
207.13863	3.1
219.01871	1.9
219.10274	1.6
219.17448	91.2
225.14790	2.7
231.06712	1.4
237.18503	19.7
259.08438	1.4
261.18594	1.9
295.10153	4.4
304.05338	1.4
315.19748	1.9
333.20703	2.4
351.21707	3.0
369.23102	1.6
564.76971	1.7
566.22101	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	567.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01871	2.0
57.03441	2.7
59.23238	1.0
67.05517	1.8
69.03435	2.2
69.07075	1.4
70.84278	2.1
71.04991	3.7
73.02914	1.0
79.05495	8.1
81.03427	27.8
81.07055	4.8
83.04993	1.5
83.08668	1.2
85.02895	4.0
86.03303	1.1
89.03951	1.0
91.05496	7.0
93.07036	3.4
94.07374	1.4
95.04959	3.2
95.08615	2.8
97.02879	2.6
97.06539	2.6
100.11268	1.2
102.54764	0.9
103.05465	4.4
105.07051	7.0
106.04202	1.4
106.07346	1.3
107.04968	16.3
107.08611	3.1
109.02893	1.1
109.06505	1.4
109.10146	2.2
111.04497	1.1
115.05465	8.7
116.06246	1.6
117.03400	1.3
117.07035	14.2
119.04948	3.3
119.08590	1.7
121.06506	3.5
121.10155	2.6
123.04427	8.0
124.05192	3.3
125.06003	2.0
125.09633	1.1
127.05409	1.1
128.06181	2.0
129.07051	5.4
130.04152	1.2
131.04930	3.7
131.08553	6.4
132.05740	1.8
133.02835	1.1
133.04979	1.1
133.06494	4.4
133.10124	4.8
137.05998	9.8
140.04633	2.1
141.07004	3.2
143.10699	3.1
144.05713	6.0
144.10980	1.6
145.06499	23.4
147.04434	6.8
147.08052	2.1
147.11693	2.1
149.05997	3.0
151.03894	3.2
151.07533	2.8
152.04681	2.8
153.05455	4.2
155.06029	4.9
155.07085	2.6
156.05725	7.8
157.06451	1.7
158.07298	1.4
159.08086	11.7
159.11716	1.6
160.05188	2.1
161.06003	8.3
162.06819	1.1
163.03970	2.5
165.05493	2.2
167.07062	100.0
167.14326	2.9
169.06451	2.1
169.07715	2.6
170.07138	1.1
172.05194	1.4
173.06007	31.3
175.03915	1.5
175.07512	4.3
176.04558	1.7
177.05507	5.1
179.03410	4.5
179.07040	3.3
181.04971	5.6
181.08580	4.7
182.15405	1.4
183.06628	2.2
184.05206	1.8
187.07532	11.5
189.05533	2.6
189.09100	1.2
190.06271	21.8
191.05472	1.1
191.07031	8.0
193.08633	4.6
195.06532	4.2
199.07544	2.3
202.06229	3.3
203.07014	5.0
204.07764	2.4
205.08606	33.2
207.06517	5.0
207.10054	1.4
208.05147	2.6
209.08148	5.8
210.06790	1.4
215.06970	2.0
217.08606	24.9
219.08228	2.0
219.10098	8.5
219.17438	2.2
220.07243	9.3
220.17816	3.2
221.05969	2.2
223.09654	1.5
231.07983	1.7
231.10143	1.6
232.85658	1.3
235.07538	1.9
235.09641	12.5
241.08600	2.2
241.10628	5.7
247.07529	2.9
247.09712	28.1
248.08293	2.1
249.05450	1.6
254.05832	1.5
261.09134	1.8
262.09937	1.2
263.10825	1.7
264.07797	1.5
265.08356	1.9
265.10880	2.4
267.06476	1.8
269.08087	5.8
271.09647	3.5
276.07809	2.4
277.08487	2.4
279.10239	1.8
279.12479	13.4
282.08875	2.4
284.06967	1.1
285.07379	1.4
290.09396	1.3
291.06934	1.8
291.12656	8.8
293.08069	2.8
293.13821	1.5
296.10144	1.3
299.09122	2.6
301.10706	1.4
305.08127	1.1
307.09729	3.6
308.10419	2.4
309.13336	1.9
310.08441	1.9
315.08679	16.6
319.09546	2.9
321.07712	2.3
321.13538	2.4
323.09357	1.8
323.12759	5.2
325.10776	1.3
329.10303	7.2
330.10965	13.8
331.11783	3.0
335.09177	1.5
336.09979	1.7
337.10623	3.2
339.11740	1.4
343.11594	3.4
351.12299	8.8
353.10052	1.8
355.11859	1.4
356.12564	1.3
367.11670	3.3
368.12631	2.0
369.12909	3.0
371.14938	6.7
373.12686	2.4
382.14005	2.9
383.14896	11.2
399.14368	1.4
401.16022	6.9
403.13809	1.5
404.14737	14.1
405.15781	1.5
413.15591	2.2
417.15625	2.0
425.15982	3.4
443.16876	1.7
445.18604	3.8
447.16223	1.8
457.14005	1.1
457.18750	12.2
475.19705	14.8
478.18506	14.1
517.20728	1.9
531.22437	6.0
549.15509	1.5
549.23309	12.6
567.20911	3.7
567.42908	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.05498	0.8
57.03430	0.6
67.05499	1.9
69.07047	0.6
69.72228	1.3
71.04993	0.6
77.13134	0.2
77.33929	0.2
79.05502	1.2
81.03426	2.2
81.07068	1.7
83.04986	0.3
83.08602	0.5
83.33831	0.2
85.02906	1.6
91.05482	1.9
93.07043	1.1
95.04963	0.8
95.08599	0.8
97.02885	0.3
97.06506	0.3
99.04463	0.3
105.07034	1.4
107.08589	0.6
109.10162	0.5
119.08543	1.1
119.38551	0.2
121.10147	1.0
129.06993	0.6
131.08589	0.9
133.10132	0.7
147.11713	0.7
149.09647	0.5
149.13228	0.4
157.10123	0.7
161.33345	0.2
175.11209	0.4
193.12254	0.7
233.11488	0.7
238.28519	0.3
251.12604	1.3
283.11984	0.5
283.15155	10.5
285.17078	0.5
291.82391	0.3
307.15271	1.0
315.24170	0.2
339.17786	5.4
339.24078	0.3
567.31415	100.0
568.31799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05508	10.9
55.73042	1.3
57.07074	10.2
59.04992	2.3
65.03934	4.1
66.17333	1.4
67.05502	23.7
68.36758	1.4
69.07069	14.4
69.94704	8.2
77.57909	1.4
79.05495	22.6
81.07059	34.6
83.04968	3.0
83.08620	8.5
85.06521	6.1
88.07609	2.6
91.04900	2.1
91.05481	44.9
93.07042	54.6
95.04942	4.9
95.08609	37.0
97.06518	2.6
102.09196	1.7
103.05466	3.7
105.04489	1.9
105.07034	79.1
106.07819	3.0
107.08591	50.1
109.06525	3.7
109.09475	1.9
109.10159	23.2
111.08059	2.8
115.05447	5.8
117.07015	25.4
118.07827	2.3
119.08582	100.0
120.09367	8.4
121.10155	35.9
123.08071	2.4
123.11718	10.7
125.09580	2.5
128.06226	11.8
129.07025	17.5
130.07776	7.8
131.08565	45.7
132.09320	5.6
133.10135	56.5
134.10913	2.5
135.08061	7.4
135.11684	23.2
137.09625	4.8
139.11206	3.0
141.06956	8.0
142.07779	22.6
143.08565	38.5
144.09340	9.5
145.10124	69.1
146.10815	3.2
147.07941	1.7
147.11693	25.7
149.09601	7.0
149.13213	5.8
153.06940	3.2
154.07698	3.6
155.08559	15.9
156.09338	18.5
157.10141	52.0
158.10913	10.7
159.10458	2.8
159.11694	40.7
160.12401	3.1
161.09636	2.6
161.13277	12.6
163.11186	3.5
163.14758	2.8
165.07034	4.1
167.08557	9.4
168.09337	8.6
169.10138	22.6
170.10887	10.4
171.11682	34.8
172.12508	7.2
173.09505	1.6
173.13264	39.3
175.11209	3.6
175.14819	28.7
177.12723	5.0
179.08574	10.9
180.09314	4.3
181.10106	20.2
182.10889	7.7
183.11693	33.8
184.12480	5.4
185.13255	19.4
186.14040	2.0
187.14832	14.5
189.12674	2.9
191.14265	5.2
192.09299	3.0
193.10095	10.1
193.15939	2.1
194.10875	11.5
195.11703	24.1
196.12488	10.5
197.13255	24.2
198.14069	2.1
199.14850	11.9
201.12704	7.6
201.16457	10.4
203.14326	5.8
205.10150	2.1
205.15848	3.4
206.10922	5.8
207.11690	13.4
208.12421	7.6
209.13245	33.5
210.14127	3.6
211.14790	17.2
213.16389	6.5
215.14325	3.3
217.15868	9.4
218.11049	1.7
219.11690	4.0
219.17426	5.8
220.12512	3.4
221.13255	11.2
222.14023	5.0
223.14827	15.8
224.15413	2.6
225.12794	1.9
225.16321	8.1
227.18022	1.7
229.15880	2.9
230.16693	1.8
231.11613	2.3
231.17317	1.7
233.13260	4.1
235.14832	10.0
237.16455	10.9
238.17097	1.7
239.17941	11.5
241.15811	1.6
241.19489	5.1
242.44435	1.5
243.17378	2.3
245.13329	2.6
247.14809	4.6
248.15462	1.8
249.16365	7.4
250.17055	2.3
251.17950	4.8
252.18587	1.5
253.19353	2.2
255.17502	5.8
255.21086	2.6
257.13455	1.8
257.18939	6.0
259.14984	2.7
259.20627	5.2
261.16406	6.1
263.17911	6.2
265.19547	7.4
269.18936	3.1
270.19760	4.5
271.20685	3.5
272.21341	5.6
273.16269	2.7
273.22098	1.6
275.17944	3.9
277.19366	3.5
279.20682	1.7
281.18936	2.6
283.20630	8.1
284.21326	2.5
284.29422	6.6
285.22037	3.5
287.17902	2.2
289.19284	2.9
291.21222	1.7
295.20483	2.1
297.22092	4.1
301.19427	1.9
303.21179	2.6
309.22168	2.4
311.29449	6.2
312.32816	1.9
321.21997	2.0
323.23685	5.8
347.23651	1.7
349.25125	4.6
355.26416	1.7
362.26031	4.2
363.26950	2.1
370.28683	3.9
375.26801	2.2
410.31885	2.0
415.29651	1.7
443.32858	2.3
458.35266	2.7
461.34195	4.6
476.36514	91.2
488.36090	2.5
489.37000	2.2
550.41968	3.4
568.42712	48.0
568.56287	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03945	3.3
55.05302	1.1
55.05516	11.3
57.07077	5.6
59.05002	1.3
65.03932	3.8
67.05513	16.6
69.03420	1.9
69.07066	11.7
70.69216	3.0
71.04997	1.8
77.03937	1.5
79.05498	20.1
80.06271	2.6
81.07063	33.5
83.04992	3.0
83.08619	3.1
85.06543	3.0
87.20564	1.1
91.05490	40.1
92.06264	2.0
93.07052	52.0
94.07820	1.6
95.04978	37.0
95.08611	27.5
97.06526	2.9
103.05467	2.3
105.04553	1.7
105.07040	78.4
106.07820	4.7
107.08605	40.9
108.09398	2.0
109.06516	3.3
109.10170	18.7
111.08087	2.6
115.05442	5.5
116.06178	1.2
117.07029	26.5
118.07794	1.9
119.08593	100.0
120.09383	9.1
121.06532	1.9
121.09314	2.1
121.10153	31.3
123.08076	13.7
123.11735	7.9
125.09663	1.8
128.06233	10.2
129.07021	13.9
130.07788	8.9
131.08580	49.9
132.09378	13.3
133.10143	51.6
134.10930	7.1
135.08092	6.7
135.11711	18.4
137.09622	5.2
138.10411	8.1
139.11221	2.9
141.06972	7.3
142.07782	14.8
143.07588	0.7
143.08566	41.4
144.09361	13.7
145.10133	82.9
146.10938	6.3
147.08098	1.1
147.11700	24.7
147.12799	1.8
149.09581	5.7
149.13280	4.4
151.11197	2.7
153.07024	1.4
154.07811	3.5
155.08559	16.0
155.09735	1.7
156.09372	14.6
157.10133	50.0
158.10928	12.9
159.08051	1.9
159.11707	38.8
160.12477	4.3
161.09659	5.2
161.13287	7.8
163.11223	3.2
163.14862	1.1
165.07027	3.2
166.07784	2.5
167.08569	6.4
168.09360	6.4
169.10143	26.5
170.10944	9.6
171.11694	34.2
171.13161	2.0
172.12448	6.3
173.09787	1.4
173.13274	29.7
174.14047	2.2
175.11275	2.7
175.14847	21.5
177.12775	7.0
179.08551	8.9
180.09358	3.3
181.10126	17.1
182.10922	7.8
183.11696	28.5
184.12500	4.4
185.13268	25.9
186.14067	7.5
187.11288	1.8
187.14850	13.4
189.12755	5.0
189.16513	1.5
191.14288	10.1
192.09357	2.6
192.15108	3.5
193.10101	7.8
193.15930	2.2
194.10867	6.5
195.11713	18.5
196.12473	7.1
197.13271	29.4
198.14052	7.2
199.14806	13.0
200.15604	1.9
201.12785	4.0
201.16420	7.8
203.14340	2.5
205.15990	1.9
206.10925	4.1
207.11708	11.3
208.12515	3.7
209.13286	28.0
210.14061	4.3
211.14845	19.5
212.15590	1.8
213.16357	6.2
215.14380	1.5
217.15854	6.0
219.11707	2.4
219.17482	2.8
220.12445	3.0
221.13271	7.1
222.14113	3.9
223.14786	10.2
224.15576	4.8
225.12856	2.2
225.16403	8.6
226.17282	2.8
227.17958	1.6
229.15857	2.3
230.16718	1.4
231.11707	1.3
231.17480	1.7
232.12479	1.8
233.13287	2.8
234.13989	1.5
235.14853	7.9
236.15622	1.6
237.16437	10.1
238.17215	1.4
239.17847	6.6
241.15976	1.2
241.19530	3.4
243.17603	1.2
245.13139	1.6
245.19144	1.6
246.19868	1.3
247.14938	4.4
248.15594	1.7
249.16360	6.9
251.17996	2.8
252.18660	1.0
253.19543	3.2
255.17291	1.6
257.18860	1.6
258.19598	1.1
259.14932	2.1
259.20636	2.9
261.16446	3.5
262.17151	1.1
263.18005	4.6
265.19528	5.1
267.20950	1.9
269.18948	1.6
270.19852	2.3
271.20673	1.1
272.21472	1.3
273.16367	1.8
275.17978	3.8
277.19574	4.1
279.20981	2.3
281.19095	2.3
283.20605	3.3
284.29514	1.7
285.22116	2.5
289.19681	1.5
291.21088	2.3
295.20557	1.3
297.22147	3.6
299.23981	1.2
305.22583	2.4
320.25076	2.0
323.23700	6.0
324.24298	1.3
331.24252	1.6
335.23947	1.3
337.25311	3.1
338.26053	52.3
349.25397	1.7
351.26862	2.0
362.25916	1.7
415.30103	2.4
420.30344	3.0
430.32355	16.4
458.35452	1.4
476.36609	24.2
489.37524	1.4
512.36462	1.5
568.42834	44.2
568.56494	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.3
57.07074	7.5
65.03956	5.0
65.92023	3.8
67.05505	19.1
69.07066	12.5
71.18521	3.9
79.05502	21.8
81.07059	34.1
83.08592	6.5
85.06522	4.8
90.97471	4.5
91.05498	49.1
91.70737	3.9
93.07056	49.8
95.04970	31.9
95.08617	32.9
103.05450	4.4
105.07033	73.9
106.07812	5.3
107.08591	40.0
109.06525	5.4
109.10161	17.5
115.05467	4.0
117.07021	25.1
118.07884	4.4
119.08595	100.0
120.09348	12.9
120.78916	4.0
121.10147	30.3
123.08054	16.4
123.11715	6.3
128.06241	8.2
129.07010	14.2
130.07832	8.0
131.08589	53.0
132.09346	12.3
133.10155	51.1
134.10901	5.7
135.11714	8.3
138.10408	8.6
141.06941	8.5
142.07784	19.9
143.08551	43.1
144.09370	13.1
145.10126	91.8
146.10915	6.6
147.11740	21.6
153.06985	6.3
155.08563	17.1
156.09369	10.7
157.10138	52.8
158.10994	7.7
159.11703	43.6
161.09650	6.7
161.13197	5.5
162.73782	4.3
167.08539	9.4
169.10120	22.6
170.10956	8.3
171.11719	34.2
172.12465	8.1
173.13298	27.7
175.14816	16.5
177.12743	7.5
179.08553	7.7
180.09311	5.0
181.10106	14.3
182.10950	4.7
183.11700	22.4
185.13182	23.4
186.14046	7.3
187.14836	8.3
191.14314	13.2
192.09344	5.9
193.10036	4.4
194.10918	7.3
195.11673	19.2
196.12447	7.8
197.13298	20.3
199.14812	13.6
201.16434	10.2
205.10017	4.2
207.11707	10.3
208.12558	5.4
209.13356	25.6
211.14824	17.1
213.16322	5.1
221.13269	12.7
223.14850	16.5
224.15652	6.1
225.16379	8.5
229.48657	4.9
235.14911	8.6
237.16348	8.2
239.18010	8.2
249.16359	6.4
272.21307	4.7
277.19534	4.1
284.29587	7.1
285.21896	4.7
323.23605	6.9
338.26056	49.0
430.32285	15.0
465.74527	4.2
476.36630	26.0
507.61218	4.4
568.42957	40.5
568.56458	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	569.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01879	0.6
55.05502	0.2
55.35164	0.2
57.03452	0.4
65.03946	3.0
67.05512	0.4
68.99801	0.8
69.03435	0.9
69.07059	0.4
71.04994	0.4
71.54188	0.3
71.54533	0.2
79.05500	0.6
81.03429	0.7
81.07062	0.9
83.04989	0.2
85.02914	2.0
85.06591	0.2
91.05499	0.6
93.07063	0.7
93.07750	0.2
95.04987	1.8
95.08605	0.6
95.35268	0.2
97.02917	1.0
97.03472	0.3
97.10203	0.3
99.03851	0.2
99.04473	0.7
105.07033	0.7
107.04981	0.4
107.08611	0.5
109.02886	0.7
109.06557	0.4
109.10188	0.5
111.00827	0.5
111.04460	1.9
111.08157	0.2
111.99624	0.2
117.07069	0.2
119.08575	0.3
120.08974	0.3
121.02882	100.0
121.03880	3.1
122.03241	0.2
123.04407	0.5
123.11742	0.3
127.03944	0.9
129.07001	0.3
133.02827	0.3
133.06544	0.3
133.10167	0.6
135.11658	0.3
137.02303	0.5
137.05997	0.8
139.03900	1.8
143.10660	0.3
145.04979	0.5
145.06496	0.2
145.10158	0.2
147.04408	0.6
151.03839	0.3
153.01848	2.9
153.05493	0.2
157.06528	0.3
161.06010	0.3
165.01848	1.1
165.09128	0.7
167.07088	1.9
175.07520	0.2
181.04961	0.2
183.02856	0.6
185.05988	0.5
203.18362	0.2
213.05473	0.8
223.05984	0.3
231.06660	0.5
241.04956	0.5
258.05234	0.8
265.07004	1.2
279.05203	0.2
283.08136	7.5
287.05527	67.4
288.06003	0.4
329.06680	0.5
378.10693	0.3
395.07675	0.3
400.93811	0.2
485.14752	0.2
569.24487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1293
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
50.12577	0.3
55.01869	0.4
55.05527	0.4
57.03441	0.6
60.29346	0.3
61.47929	0.4
65.03944	3.1
67.05508	1.0
68.99792	0.4
69.03423	1.3
69.07071	1.1
70.78694	0.7
71.05012	0.7
72.02238	0.3
73.02914	0.4
79.05486	0.8
81.03426	0.9
81.07054	1.5
83.04984	0.4
85.02921	2.2
85.06563	0.5
91.05486	1.0
93.07050	1.3
95.04969	1.3
95.08601	1.2
97.02894	1.1
97.06545	0.5
97.10196	0.4
103.05508	0.4
105.07022	1.3
107.04942	0.5
107.08605	0.8
109.02873	0.8
109.06564	0.4
109.10139	0.7
111.04420	1.9
115.08888	0.3
117.07089	0.4
119.08582	0.9
120.04498	0.5
121.02872	100.0
121.10169	1.0
123.04408	0.4
123.08046	0.3
123.11719	0.4
127.03887	0.9
131.08568	0.6
133.02856	0.4
133.06497	0.5
133.10141	0.9
135.11690	0.7
137.02321	0.7
137.06012	1.3
139.03931	1.9
145.05019	0.7
145.10138	0.7
147.04451	0.9
147.11636	0.6
149.06078	0.5
149.13271	0.4
151.07553	0.7
153.01845	2.9
157.06516	0.4
161.05968	0.9
161.09592	0.5
163.07591	0.4
163.11061	0.4
165.01846	1.2
165.09123	0.5
167.07065	3.6
175.07527	0.7
177.05493	0.6
183.02959	0.4
184.07317	0.8
193.08598	0.4
202.54816	0.3
211.09532	0.3
212.20535	0.3
213.05510	0.7
219.10152	0.5
231.06448	0.6
235.22285	0.3
241.04897	0.8
258.05154	0.7
265.07007	0.9
265.09598	0.3
271.14532	0.3
283.08096	7.6
287.05502	64.1
303.23151	0.4
311.12723	0.4
321.24225	0.5
323.12698	0.6
329.06693	0.5
355.15604	0.4
569.25653	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	570.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01867	0.7
61.02919	0.9
65.94727	0.5
69.03431	2.1
70.69893	1.4
70.70245	0.7
71.05005	0.7
71.89558	0.5
73.02938	0.6
79.05495	1.7
81.03432	0.7
85.02920	6.7
91.03948	0.6
91.05492	3.7
93.07061	1.9
95.04988	1.2
97.02880	1.8
101.40611	0.5
103.05468	2.0
105.07043	1.6
107.04984	4.4
114.22376	0.6
115.05450	1.3
117.06990	1.0
119.04991	1.0
121.06508	3.1
123.04431	0.9
124.05285	0.8
127.03926	1.4
128.06207	1.1
129.07010	9.6
131.04955	2.7
131.08586	8.3
132.29930	0.6
135.08115	0.8
137.06001	3.6
141.07005	5.4
143.04913	0.7
143.08583	0.7
145.04977	1.2
145.06477	1.6
146.07246	0.9
147.04448	0.9
149.05984	1.6
151.03949	0.6
151.07561	2.9
153.05482	1.9
155.07021	0.6
157.06500	8.5
158.07275	2.9
159.08069	6.2
160.05255	0.7
161.06009	5.6
161.09605	1.8
163.07573	4.3
165.09125	2.0
166.06268	1.6
167.07071	16.2
167.08551	0.5
169.06468	3.3
170.07291	1.3
174.06784	14.4
175.07567	5.3
177.09108	2.4
179.06993	1.0
180.08690	2.3
181.08615	18.2
181.10202	0.9
185.43161	0.6
186.06754	3.2
187.07520	0.6
188.08295	1.1
189.09126	37.0
191.07016	0.8
191.10730	1.6
193.08536	0.9
195.08028	1.6
197.09679	1.7
201.09160	7.6
207.08286	0.7
207.10158	3.0
210.06784	0.9
211.07535	0.7
211.17036	0.6
211.48383	0.7
219.10190	100.0
222.06940	0.6
223.07634	1.1
223.11179	0.7
224.08458	0.6
225.09190	3.3
229.12390	0.9
239.10759	0.6
240.07843	0.6
241.08586	0.6
242.09392	0.8
247.07550	0.7
251.07071	0.8
251.10777	1.6
253.08615	2.2
257.11871	3.1
269.08038	0.8
270.09012	0.7
279.10233	1.5
283.09671	1.7
283.13254	2.0
285.11255	5.3
297.11276	0.9
299.12814	0.9
311.12775	1.4
315.12338	3.1
317.13858	5.8
329.14047	0.7
331.15323	1.4
343.15445	11.3
361.16483	65.7
373.16556	1.4
422.34808	0.6
448.00522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30416	0.3
56.71179	0.3
57.07080	5.6
58.06611	1.7
58.88221	0.4
59.47784	0.3
60.76676	0.3
66.94543	0.4
69.07078	0.5
70.06597	14.4
70.41278	1.0
71.08635	2.1
72.08157	0.6
85.10168	0.5
86.02024	0.3
88.07635	19.0
91.05441	0.3
95.04937	0.7
102.09186	12.6
105.03392	13.0
105.04456	0.5
127.91003	0.3
131.04921	0.5
149.02359	8.9
149.05988	57.3
152.70583	0.3
175.03932	0.8
181.06502	2.3
193.04968	9.6
206.30916	0.3
212.23654	0.7
219.06595	1.0
223.33253	0.3
256.23523	0.4
256.26367	41.9
297.07596	12.0
341.10208	50.2
342.10507	0.5
552.32690	0.4
570.34265	100.0
571.34509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03430	2.4
61.02922	1.4
61.27309	0.6
61.32093	0.6
68.98288	0.8
69.03440	5.8
69.20654	6.2
70.06570	0.7
71.04977	1.0
73.02921	1.6
81.03424	2.0
81.64904	0.6
82.99417	1.1
82.99888	3.0
85.02440	0.9
85.02912	13.9
87.04453	0.7
91.05526	0.7
94.99873	1.1
97.02892	3.9
98.97547	1.0
99.04459	1.1
101.00887	13.7
109.02852	2.1
113.00864	3.6
115.02440	2.1
119.01936	21.9
121.02847	2.2
123.04536	0.7
127.02478	2.8
127.03926	5.9
129.00380	1.0
129.04005	1.3
131.01930	10.7
133.03488	5.2
137.06017	1.0
139.02405	1.7
139.03796	0.7
141.04021	0.8
143.01913	29.9
145.03473	13.1
145.04961	4.4
147.01427	1.7
147.05069	0.9
149.02881	1.2
153.01822	3.7
155.01907	22.4
157.03487	9.2
159.05045	1.8
161.02969	24.6
163.04558	1.7
166.98653	0.7
167.01915	12.1
168.99803	4.5
169.03453	5.9
171.01422	2.5
171.05022	4.0
173.02979	24.7
175.02765	0.6
175.04585	3.3
177.68681	0.6
179.01950	5.3
180.99857	0.9
181.03465	1.9
183.01366	1.8
183.05070	2.5
184.04645	1.8
185.02977	42.6
186.03104	0.7
187.00890	4.3
187.04527	5.6
189.02493	3.9
191.02051	0.6
191.03883	2.8
195.01445	1.6
196.99347	2.8
197.02980	15.0
199.00931	2.9
199.02673	0.7
199.04579	2.2
200.02452	0.6
200.04355	0.8
201.00836	0.9
201.02464	4.5
201.06058	1.0
203.02296	0.7
203.04022	13.1
203.05937	0.6
204.04161	0.7
207.01534	0.7
208.04536	0.9
209.02986	1.5
211.00974	0.7
211.04468	1.3
213.02460	4.6
213.05923	0.7
215.00449	7.5
215.04021	10.6
217.01894	2.5
217.05589	0.7
219.01711	1.0
219.03586	2.9
221.05099	5.7
223.00937	1.0
225.02446	0.8
227.00438	1.1
227.04004	12.7
228.57298	3.2
229.02034	4.7
229.06305	2.1
231.03572	3.8
231.07127	1.3
233.01477	1.0
233.05103	1.2
235.06668	1.6
237.02684	1.3
239.03952	1.7
239.06090	1.5
240.08994	0.9
241.01997	0.9
245.05101	100.0
246.05400	2.2
247.02957	8.1
253.02034	1.0
253.05591	0.7
255.07039	1.1
257.01456	1.3
257.05069	6.5
259.03006	4.2
259.06363	1.3
263.06149	13.4
268.08527	1.0
271.03036	4.2
271.10925	0.7
273.04788	0.9
273.08194	2.2
275.02594	2.4
275.06119	18.2
277.03473	3.1
285.04562	0.8
286.07608	0.9
287.06213	1.4
287.09647	0.8
289.00989	1.2
289.04117	17.4
289.07385	1.3
291.05606	0.7
293.07318	4.0
299.02435	2.7
301.04062	5.7
303.01260	2.3
303.05585	2.0
303.09100	0.7
305.07217	11.9
305.10645	1.1
307.05115	8.2
310.09509	0.9
313.04132	0.9
315.05756	1.3
317.03735	1.1
317.07367	0.9
318.60706	0.8
319.05118	5.7
319.09439	3.2
321.06796	1.1
321.10330	3.4
329.07196	1.0
331.05090	8.4
333.06760	1.5
335.08325	5.5
337.09940	3.2
341.11166	2.0
341.73038	0.7
343.05420	1.5
349.06201	16.0
351.11554	0.8
359.04620	2.6
361.06195	1.8
365.09338	19.1
373.06262	2.7
373.14026	1.6
377.05597	3.7
379.06793	0.9
391.07080	8.6
391.15063	1.6
393.08762	0.8
409.08246	7.7
409.16083	1.7
411.09695	0.9
425.11191	1.8
428.31949	0.7
451.09317	1.1
457.12137	0.7
469.10461	2.4
481.10596	0.8
483.12021	0.8
511.11545	10.2
539.10883	3.7
571.12848	6.2
571.22418	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
56.96555	2.8
57.03424	5.2
61.02922	6.0
69.03436	19.2
69.07069	2.4
70.06602	3.6
70.86981	1.6
71.04975	2.7
71.52857	2.6
71.75066	1.6
73.02929	3.7
81.03417	7.6
85.02912	41.4
87.04499	2.1
93.90738	1.9
97.02908	18.7
97.06499	2.1
98.97594	7.2
99.04456	3.1
101.00877	15.7
109.02890	4.5
113.00869	2.9
115.02483	2.0
115.03954	2.4
116.98598	2.4
117.05473	1.8
119.01925	25.2
125.56112	1.8
127.02424	4.8
127.03910	13.4
128.98601	1.8
131.01901	11.6
133.03503	5.1
143.01907	32.2
145.03503	16.2
145.04964	12.7
147.01407	2.7
147.05186	2.1
149.02972	1.7
153.01855	3.4
153.03978	1.8
155.01929	20.9
157.03491	10.9
158.99718	2.4
159.05878	3.2
161.02979	30.8
167.01906	12.4
168.03696	2.8
168.99849	4.7
169.03490	6.8
171.05057	2.4
173.01372	2.6
173.02968	30.4
175.04572	3.3
175.11945	6.8
177.04172	2.3
179.01912	4.9
181.03461	2.8
183.05106	4.1
185.02977	44.0
185.06638	2.1
187.00960	3.7
187.04590	11.5
189.02422	3.1
191.03978	3.5
196.99397	3.1
197.03003	17.8
197.06566	2.3
199.00954	3.1
199.04440	3.5
201.02292	3.7
203.04088	17.5
209.02963	3.4
211.04523	2.8
213.02461	2.9
213.06082	2.0
215.00461	5.3
215.04066	11.6
215.07619	3.5
217.01953	3.9
217.05611	2.7
219.01793	4.5
221.05019	11.8
227.04015	12.8
229.01971	4.4
229.05757	2.7
231.03101	6.4
237.02814	4.1
239.04016	2.9
239.06152	2.5
240.05890	2.9
240.08449	6.9
243.03658	2.2
243.57849	1.9
245.05098	100.0
246.05333	2.7
247.02838	5.2
249.06535	3.8
249.08960	7.0
257.01068	2.0
257.04965	8.0
259.02606	11.1
263.06122	17.3
271.02960	3.9
272.55927	1.7
273.08005	2.2
275.02847	2.3
275.06198	24.6
277.03500	36.3
278.03879	5.2
278.63354	1.8
283.06284	2.0
287.06351	2.4
287.09845	2.7
289.04095	9.8
289.07654	12.4
293.07162	5.2
299.02667	2.7
301.03964	2.4
303.01395	27.9
304.01532	2.9
305.07147	10.8
305.10840	5.8
307.05072	7.1
307.08737	7.9
313.39862	1.8
317.10678	3.3
319.04919	3.7
330.09021	3.6
331.05020	8.0
333.10388	5.8
334.05615	2.9
335.08209	5.3
335.11859	4.6
349.06137	16.7
351.04861	2.0
365.09283	19.4
377.05865	3.5
377.13474	3.0
379.02103	3.1
379.06738	2.2
383.10037	2.7
391.07321	7.2
403.01605	7.0
409.08621	2.7
469.10272	2.6
478.71341	1.8
505.04562	2.4
511.11856	11.8
539.11035	6.2
570.08606	1.9
571.13110	2.8
571.21210	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	571.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
58.89705	0.4
61.02920	0.8
67.05479	0.5
69.03426	2.3
71.53674	0.7
72.44256	0.4
73.02917	0.6
81.03412	0.4
84.04466	0.4
85.02904	2.2
87.04473	0.4
93.07059	0.6
95.04981	0.9
95.08613	0.6
97.02901	1.2
98.97578	0.8
99.08080	1.1
105.07017	0.5
109.02920	0.5
110.06122	0.5
119.08619	0.4
127.03916	0.4
133.10155	0.6
135.11765	0.5
137.06024	0.6
137.44646	0.4
145.05029	0.5
153.01863	1.1
183.75835	0.5
193.16068	0.5
198.07829	0.5
199.08638	2.3
200.09320	0.6
210.07924	0.4
211.08723	0.8
211.17007	1.5
212.09464	1.6
213.10254	3.1
215.11678	0.5
219.10194	0.8
225.06673	1.2
225.10240	3.0
226.07329	0.9
226.11021	0.6
227.08173	1.8
227.11838	0.4
229.09692	0.6
229.18002	1.2
237.10339	0.7
238.07462	0.5
239.08194	4.2
239.11777	3.3
240.08942	4.4
241.09752	6.8
241.12376	0.5
241.13348	0.7
242.10442	0.6
243.11389	2.5
245.99237	0.5
251.11768	0.7
252.08989	0.9
253.05931	0.6
253.09764	7.6
254.10561	1.0
257.09219	1.4
257.12708	0.5
258.10242	0.5
259.10709	2.5
266.06909	0.6
267.07736	1.9
267.11349	6.0
268.08441	8.7
269.09259	2.2
269.12924	1.0
271.10800	8.9
272.11490	0.7
273.12338	4.5
275.10248	0.7
277.09210	0.5
277.11935	1.6
280.08383	0.7
281.09161	2.3
282.10101	1.1
285.08804	1.7
285.12390	2.5
286.09607	0.5
289.11969	0.7
295.10797	6.8
297.12515	0.8
299.10251	0.7
299.13934	0.7
300.11096	3.0
301.11838	0.7
308.07785	0.8
313.11804	5.7
317.11362	1.3
318.11996	2.9
319.12964	1.0
323.10260	7.9
326.08966	0.9
327.13348	1.9
329.15097	0.6
331.12982	1.3
335.12463	0.9
341.11325	23.6
345.14572	1.4
355.12909	8.0
359.12350	1.5
373.13962	22.2
391.14996	21.3
409.16092	16.0
433.16089	0.8
553.20612	2.7
571.21362	100.0
572.21539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01878	4.8
55.05502	5.0
57.03440	14.3
62.70810	2.5
69.03417	9.2
70.70939	5.9
71.05000	65.8
75.04476	11.7
78.04723	3.4
79.05483	6.9
83.04986	11.3
85.02907	97.5
87.04469	5.2
91.05486	14.9
93.07027	5.6
95.04972	7.4
95.08610	3.6
99.04459	6.5
103.05460	21.2
105.07050	17.7
106.04147	4.7
107.04955	26.3
109.06504	3.5
111.04444	16.5
115.05431	7.0
117.07011	7.4
119.04940	6.6
121.06520	19.2
123.04444	5.6
128.06227	2.9
129.05499	19.6
129.07002	4.5
131.04909	21.7
131.08536	5.1
132.05692	5.5
133.02779	3.1
133.06485	24.9
135.08026	4.6
137.05998	22.6
145.06474	11.4
147.06494	4.1
148.05183	5.4
149.05986	41.8
151.07552	23.5
153.05484	2.7
155.06032	3.4
157.06517	6.2
159.04407	3.9
159.08028	3.7
160.05193	4.4
161.05986	66.9
161.09630	15.1
163.07520	33.6
165.05493	7.8
165.09146	4.8
167.07042	100.0
167.54422	2.7
171.08063	3.4
173.05922	11.5
174.06755	5.2
175.07544	14.6
177.05429	18.7
177.09183	3.7
179.07040	14.8
180.07852	17.4
181.08598	47.8
187.07570	8.6
189.05429	11.5
189.09100	39.6
190.06308	3.8
191.07019	33.5
192.07814	11.1
193.08609	48.0
195.10167	4.5
197.06366	2.6
197.08154	3.2
199.07478	3.0
201.09052	4.6
203.07091	3.1
205.08577	17.8
207.06534	25.7
207.10179	55.1
209.08102	52.9
211.09789	2.5
215.07059	7.6
217.08614	4.1
219.10127	14.0
221.08089	40.4
223.09641	5.7
229.08606	7.9
231.10126	3.8
232.07524	2.5
233.08116	11.6
235.09608	9.6
239.09200	5.4
245.08058	5.0
247.09729	17.6
249.07533	2.6
249.11241	5.0
251.09151	19.3
253.08618	3.2
259.09549	6.8
261.11270	8.3
263.09247	15.2
269.10229	4.1
273.11237	6.6
275.12595	4.0
277.10730	3.1
285.11084	4.1
289.10651	21.9
291.12411	5.2
293.13644	4.6
301.10638	3.2
307.11755	27.9
315.12070	2.6
317.13708	4.0
319.11832	12.5
325.12842	30.3
337.12811	31.8
355.13773	12.0
361.16458	36.7
373.16486	5.5
395.78217	3.2
463.49667	2.5
488.80521	2.4
599.98151	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36505	0.2
55.56345	0.2
60.56302	0.2
65.76332	0.3
67.05504	0.4
70.37165	0.3
70.65067	0.7
78.04708	0.5
79.05491	0.7
81.03426	0.4
82.03312	0.3
84.99522	0.2
85.02889	0.6
91.05451	0.5
94.04184	0.3
95.04936	0.3
95.08585	0.3
97.02927	0.3
105.07042	0.5
106.04156	0.8
107.04957	1.2
121.06578	0.5
123.04439	2.3
124.05177	0.9
133.06432	0.5
135.11723	0.3
137.05978	3.2
149.05977	0.5
151.03935	0.5
152.04654	1.0
161.06044	0.4
167.07040	100.0
168.07372	0.5
177.09119	0.3
179.07028	0.5
179.09711	0.3
181.08537	1.2
193.08604	4.4
209.08035	0.3
211.09662	21.9
434.01541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01853	4.2
55.05505	5.0
57.03424	11.7
58.69692	2.7
63.61201	2.9
67.05495	5.0
69.03416	10.1
71.04996	66.8
71.39105	4.7
72.18949	3.1
75.04480	6.4
79.05485	7.8
81.07066	3.4
83.04980	15.9
85.02908	99.8
87.04484	3.7
91.05502	16.6
93.07033	8.3
95.04974	11.0
97.02873	4.2
97.06498	3.6
99.04449	8.4
99.09032	3.5
103.05434	18.0
105.07020	19.8
106.04158	5.6
107.04942	26.1
107.07845	2.5
107.08556	4.1
111.04438	13.8
115.05430	6.5
117.07009	6.9
119.04941	6.7
121.06531	17.9
123.04388	4.4
129.05487	21.8
129.06999	10.8
131.04903	22.2
132.05698	4.8
133.02817	5.1
133.06482	25.1
135.08041	7.1
137.05986	28.6
145.06467	11.7
147.04462	4.5
147.06506	7.4
148.05203	9.1
149.05980	50.4
151.07571	25.9
154.33076	2.8
157.06465	6.9
159.08067	5.4
160.05113	3.4
161.05991	68.6
161.09554	15.5
163.03906	5.3
163.07556	32.6
165.05470	7.9
165.09158	7.2
167.07043	100.0
171.06583	3.8
173.06020	10.8
174.06757	4.0
175.07556	12.9
177.05484	18.9
177.09250	4.0
179.07062	19.0
180.07809	14.6
181.08601	52.9
187.07539	11.6
189.05443	10.5
189.09116	41.1
190.06244	3.6
191.07039	39.2
192.07773	14.8
193.08621	39.6
195.10167	4.6
197.08128	6.7
201.09102	4.1
203.07060	5.4
205.08682	14.4
207.06584	26.6
207.10146	51.3
209.06212	2.2
209.08101	57.7
211.09593	4.5
213.09140	3.3
215.07109	4.2
217.08577	6.8
219.10156	13.3
221.08084	40.5
223.09673	6.7
231.10150	5.9
233.08070	12.5
235.09738	9.1
245.08095	7.2
247.09639	19.9
249.11269	5.3
251.09058	15.4
259.09595	9.1
261.11218	8.4
263.09152	13.4
273.11401	5.4
289.10730	22.8
293.10294	4.7
301.10754	4.9
307.11829	24.1
319.11792	11.1
325.12878	31.3
327.12213	3.5
337.12796	27.4
343.95432	2.9
355.14011	12.9
359.20203	3.1
361.16504	38.4
373.16553	6.3
572.23083	4.4
597.46600	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	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03399	0.3
61.68319	0.3
62.73361	0.3
69.03419	0.9
70.06570	0.4
71.53966	0.5
79.05479	1.4
81.03410	0.5
83.04989	0.3
85.02921	1.7
91.05465	1.6
93.07035	1.0
95.04945	0.4
95.08627	0.4
97.02880	0.5
103.05457	0.9
105.07034	7.4
107.04941	0.9
107.08585	0.8
108.27823	0.3
111.04484	0.4
115.05467	1.8
117.07001	1.4
119.04942	0.7
121.06489	1.1
123.04395	1.0
123.08044	0.9
125.05996	0.3
127.03941	0.5
128.06248	0.6
131.04929	0.8
132.05782	0.3
133.06493	8.7
135.08029	1.0
137.02361	1.9
137.05965	1.0
142.08641	0.4
143.04903	0.4
143.06007	0.8
143.08539	0.9
147.08043	0.4
149.09558	0.4
151.07545	6.9
160.05267	0.4
161.05991	8.3
162.06702	1.5
163.07635	0.6
165.18187	0.3
167.07037	12.9
171.08076	0.7
175.07561	2.1
177.09109	100.0
178.06284	0.4
181.08667	0.3
185.04158	0.3
191.37468	0.3
193.08611	63.0
195.10181	5.2
197.98016	0.3
203.10728	1.5
219.10223	1.0
220.10542	0.4
221.11737	32.0
247.09520	0.9
248.09853	0.5
295.92557	0.4
303.05176	0.4
321.24295	0.3
357.12729	0.3
357.16922	0.4
375.18079	4.0
387.17834	0.4
393.18954	1.0
405.19376	0.6
409.14755	0.6
410.14987	1.8
512.69354	0.3
572.20331	2.8
573.25342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
63.88868	0.4
69.03415	0.9
69.38530	2.9
79.05471	0.9
80.18295	0.5
85.02895	0.8
91.05500	1.9
93.07020	1.0
95.07320	0.5
95.48985	0.4
96.93366	0.4
97.02856	0.5
103.05460	0.7
105.07035	6.6
107.08595	0.7
108.05719	0.5
115.05453	1.7
115.33181	0.4
117.07001	2.2
119.08543	0.4
121.06503	0.8
123.04455	0.7
123.08052	1.1
133.06491	8.3
135.07990	0.6
137.02252	1.0
137.05975	0.7
143.06015	0.4
143.08563	0.6
147.04333	0.4
147.07967	0.5
149.09605	0.4
151.07542	6.4
151.08667	0.7
161.05981	7.6
162.06708	1.1
163.07538	0.6
167.07033	11.4
171.07994	0.7
175.07539	1.8
177.09103	100.0
193.08604	56.9
195.10175	4.9
203.10712	1.1
219.10239	0.5
221.11726	28.1
248.09763	0.4
262.65167	0.5
274.10999	0.4
303.05078	0.9
318.08243	0.4
357.17017	0.4
375.17944	3.3
393.19128	0.7
410.14972	0.9
545.05133	0.4
572.21509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18576	6.7
69.03429	16.8
71.52806	8.0
81.03369	7.6
85.02921	38.3
85.79353	8.6
97.02877	15.1
98.97574	9.2
101.00907	16.6
119.01916	20.6
127.03886	10.9
131.01927	10.2
137.52000	7.4
143.01894	21.8
145.04987	9.2
155.01862	11.3
157.03458	15.1
161.03015	17.9
173.02997	17.8
185.02960	24.6
227.03893	8.6
231.03038	13.4
245.05084	77.4
257.00772	10.9
259.02417	29.7
263.06192	16.4
275.06195	18.5
277.03476	100.0
303.01291	83.7
303.04330	9.5
304.01553	10.4
327.01602	8.4
345.02386	11.5
361.00177	15.3
365.09695	9.7
379.01495	28.7
403.01547	31.3
445.02481	13.8
540.26477	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	575.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44215	1.3
53.03944	6.3
53.39730	1.7
55.01876	12.7
55.05516	50.3
55.10676	1.5
57.03443	12.1
57.07069	2.9
59.05016	1.6
65.03941	6.2
67.05511	60.6
68.47935	1.3
69.03426	9.7
69.07076	35.7
71.01363	1.6
71.04997	8.1
71.08625	2.5
79.05500	62.7
81.03423	39.9
81.07069	65.4
83.04990	18.8
83.08621	25.9
85.02913	14.6
85.06539	5.1
87.04514	1.5
90.32491	1.7
91.05492	52.8
93.07053	40.7
95.01357	2.5
95.04981	25.6
95.08614	28.6
97.02908	9.2
97.06539	12.1
97.10185	23.5
99.04489	2.1
99.08109	2.9
103.05483	1.7
105.07043	43.4
107.04964	17.1
107.08607	33.6
108.54539	1.5
109.06528	11.2
109.10165	16.4
111.04458	5.0
111.08112	9.7
111.08755	1.6
113.06021	2.8
117.07039	18.7
119.04949	2.6
119.08588	37.6
121.06551	5.7
121.10163	20.9
123.08065	12.1
123.11732	5.4
125.09636	19.7
128.06252	4.1
129.07037	12.4
130.07803	2.7
131.08588	21.6
133.06512	5.8
133.10132	20.9
135.08057	6.9
135.11723	6.7
137.09648	5.3
139.07552	2.2
142.07776	3.5
143.07588	1.4
143.08554	9.0
145.06487	2.9
145.10136	24.4
147.04388	1.5
147.08058	11.6
147.11693	18.8
149.09634	11.6
151.11171	3.3
153.09158	2.1
155.08609	3.5
157.10136	12.8
159.11687	8.5
161.09637	4.9
161.13274	1.7
163.11212	9.2
165.09192	2.8
165.12791	5.0
168.28740	1.6
169.10164	2.3
171.10266	2.9
171.11749	4.1
173.09653	3.1
173.13232	3.1
175.11200	11.4
177.12801	2.4
183.11803	3.3
185.13364	2.6
185.44034	1.4
187.11234	3.1
189.11253	12.4
191.10651	1.9
193.12254	24.1
195.11778	2.2
195.13974	2.0
199.11237	1.8
205.12347	3.9
209.11774	3.7
211.13289	26.4
219.13898	7.2
223.13326	13.9
227.12822	16.1
229.14317	1.5
233.15483	1.7
245.19038	2.1
247.20740	1.6
249.14960	4.9
255.17537	2.6
257.19070	2.4
259.67960	1.6
267.15921	24.6
273.18491	28.5
275.20111	20.9
283.15366	10.4
285.17001	4.5
291.19571	94.5
293.21207	3.1
313.21753	5.6
315.19547	3.0
331.22711	2.6
347.22293	7.8
349.23883	6.5
365.23239	11.9
367.22983	1.8
373.71509	1.8
389.23044	2.4
445.25970	3.2
463.27145	1.7
465.30414	2.9
477.28674	6.2
483.31693	2.0
529.34802	1.8
539.33661	7.8
557.25977	2.6
557.34760	57.3
575.35901	100.0
575.49133	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	575.5033
Annotation	Dieporeticanin 1
Peak:m/z	Relative Intensity
53.03934	1.3
55.05512	25.1
57.07076	20.2
60.83292	1.1
65.03938	2.1
67.05504	32.7
69.07069	31.0
71.04972	1.2
71.08634	14.0
79.05484	10.0
80.58954	0.9
81.06588	2.0
81.07058	32.7
83.08621	19.8
84.92902	0.9
85.10172	7.3
85.92544	1.2
87.04464	1.8
91.05502	5.4
93.07039	13.6
93.68059	1.0
95.08605	32.9
97.06516	2.5
97.10166	16.4
105.07009	2.3
107.08597	6.5
109.10157	14.2
111.08070	1.3
111.11758	5.1
119.08572	2.9
121.10143	7.7
123.11711	4.5
125.13280	1.2
130.35275	0.9
133.10132	1.9
135.11705	6.3
137.13237	3.1
142.19788	1.0
147.11662	1.5
149.13271	2.2
160.51236	1.0
161.13246	1.5
163.14819	1.2
165.16350	1.1
175.14938	1.6
239.23735	4.1
247.24249	1.2
263.23685	3.5
265.25314	4.4
313.27206	1.4
575.41522	6.5
575.50256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70070	3.7
53.03943	14.4
55.01878	22.9
55.05516	43.4
57.03426	17.8
59.05032	4.5
67.05173	7.0
67.05507	87.6
69.03413	6.3
69.07072	30.0
69.41209	17.6
69.41617	11.6
71.04990	8.3
76.99086	4.3
79.05502	83.2
81.03433	65.3
81.07069	96.0
83.04977	22.6
83.08617	35.0
85.02912	22.5
85.06494	4.8
91.05489	100.0
93.07053	75.4
95.04986	36.9
95.08611	63.5
97.02896	5.1
97.06544	32.4
97.10203	21.5
98.20730	6.8
99.08133	4.0
104.11176	4.3
105.07047	76.7
107.04957	36.8
107.08596	50.7
109.06525	19.2
109.10147	23.9
111.04469	4.1
111.08088	16.7
115.05435	5.1
117.07019	21.7
119.08586	66.0
121.06487	9.4
121.10155	29.0
122.07225	4.0
123.08064	15.1
123.11729	8.7
125.09638	15.3
129.06999	15.7
129.81917	4.0
131.08595	40.3
133.06519	5.2
133.10114	35.8
135.08047	10.4
135.11699	15.7
137.09642	12.9
137.13278	4.6
142.44508	4.4
143.08548	6.7
145.06458	5.0
145.10133	29.0
147.08070	9.8
147.11687	34.0
149.09647	33.6
149.13237	6.8
151.11205	6.0
157.10127	19.6
159.11713	20.2
161.13255	8.2
163.11191	12.8
163.14810	5.0
165.12782	9.8
169.10072	6.9
171.10309	4.4
171.11722	13.0
173.13280	8.8
175.11206	20.1
176.28082	4.1
177.12727	4.1
183.11723	9.9
187.14755	4.1
189.11316	4.9
189.12804	6.3
193.12225	47.4
201.12741	4.6
211.13306	58.8
215.14323	4.9
227.12817	16.0
229.14247	7.6
229.19508	5.1
257.18967	13.6
267.15921	30.2
273.86612	4.9
275.20093	83.2
285.16946	44.3
293.21075	13.5
311.33902	4.6
349.23779	48.4
367.24918	4.8
449.30252	5.2
467.31165	8.3
479.29971	17.2
541.35413	27.7
559.36334	62.0
577.37836	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.0
55.01876	28.7
55.05516	46.4
57.03430	15.4
57.07059	6.1
59.82990	4.1
65.03937	10.0
67.05170	7.3
67.05508	91.7
69.07079	46.1
69.44453	32.1
71.04993	9.7
71.08615	7.2
79.05495	66.5
81.03424	43.7
81.07059	100.0
83.04970	23.0
83.08627	35.0
85.02904	16.7
85.06533	4.8
88.00890	4.3
91.05482	92.8
93.07040	69.1
95.04971	25.9
95.08619	45.2
97.02908	4.0
97.06516	32.0
97.10161	18.6
98.98463	33.1
99.08099	10.4
105.07032	89.1
107.04939	18.2
107.08601	42.0
109.06526	13.1
109.10157	38.1
111.08102	10.9
115.05383	4.3
116.06273	4.8
117.07027	31.8
119.04900	4.8
119.08585	53.7
121.06523	8.3
121.10146	30.1
123.04442	4.0
123.08086	14.7
125.09632	16.0
129.07040	21.2
129.60919	5.6
131.08562	46.2
133.10135	41.3
135.08080	4.8
135.11690	18.7
137.09621	11.1
141.07014	5.3
143.08554	13.2
145.10123	29.3
147.08023	6.7
147.11703	31.4
149.09605	15.7
149.13260	11.8
153.09169	5.1
155.01045	16.6
155.08557	10.2
157.10141	15.5
159.11705	23.2
161.09656	4.6
161.13255	6.9
163.11218	12.5
163.14751	5.5
165.12762	4.8
171.11661	7.6
173.11885	5.1
173.13272	14.8
175.11160	13.7
175.14825	5.0
179.14297	12.7
187.11107	4.6
187.14941	7.7
193.10725	4.5
193.12209	32.4
197.13269	6.7
199.11397	4.3
199.14833	5.3
211.13219	25.8
217.14273	4.9
229.14397	12.0
257.18924	8.3
259.20572	7.4
261.22208	13.4
267.15915	19.3
275.20065	73.9
285.16946	45.9
291.19510	7.5
293.21115	15.9
335.25754	16.9
343.22784	4.8
349.23767	30.6
541.35175	19.3
559.36456	56.0
577.37738	42.0
577.51349	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01868	6.2
55.05511	41.8
57.03424	11.1
57.07069	4.7
59.04990	6.3
65.03942	4.9
67.05508	96.1
69.03435	4.1
69.07075	26.5
71.04985	14.5
71.22918	4.9
79.05071	5.0
79.05498	68.4
81.03427	22.9
81.06592	5.9
81.07063	100.0
83.04974	11.0
83.08630	20.2
84.81061	2.2
85.06532	11.7
87.09363	2.5
91.05484	62.0
93.06478	5.0
93.07047	76.3
95.04973	17.9
95.08611	71.5
97.06547	11.8
97.10192	19.9
99.08111	5.6
105.07039	52.8
107.04949	6.4
107.08601	43.9
109.06524	5.9
109.10167	31.0
110.04953	2.4
111.08057	6.4
115.05421	3.3
117.07027	23.3
119.08583	48.5
121.06445	2.9
121.10157	40.0
123.08089	5.7
123.11690	11.0
123.91474	2.2
125.09658	15.9
128.06133	3.3
129.07013	13.9
130.07791	2.8
131.07712	4.0
131.08572	38.1
133.10124	32.1
135.08044	6.9
135.11719	23.7
135.34024	2.9
137.09593	5.1
137.13232	4.1
139.11223	4.5
141.06999	4.3
143.08553	15.0
145.10146	36.3
147.11713	29.0
149.09615	7.8
149.13258	6.9
151.11153	4.4
153.12727	2.9
155.08556	11.8
157.10112	20.7
159.11705	19.6
161.13242	13.1
163.11270	3.2
165.12756	2.7
167.08624	3.4
167.10692	2.6
169.10188	6.5
171.11690	15.8
173.13283	15.1
175.11148	4.1
175.14798	7.3
183.11676	10.4
185.13278	8.9
187.14813	10.2
189.11244	9.7
193.12251	7.5
195.11662	4.9
195.13849	3.5
197.13295	7.2
199.14841	9.9
203.74335	2.4
209.13255	5.0
211.14925	3.6
213.16501	5.6
225.16458	4.3
227.12834	20.6
229.14369	3.7
239.16341	3.6
243.21100	5.1
247.16908	2.8
255.15030	3.0
257.17337	2.6
259.20670	4.6
261.22128	10.5
267.15958	31.0
275.20245	2.6
279.23169	3.2
285.22073	8.2
287.23685	5.5
289.21664	7.0
299.23676	4.1
301.25122	13.5
303.23154	5.8
305.24716	3.2
309.22046	2.3
333.24399	2.4
335.25876	19.0
341.24548	3.1
359.25586	3.3
363.25385	9.3
382.12125	2.7
417.31308	7.0
435.27322	5.0
435.32507	19.0
453.33685	23.9
471.34528	11.7
473.33386	3.4
491.34863	3.7
509.36230	8.2
527.37366	94.8
545.38385	77.9
559.39771	19.3
577.41730	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10588	2.4
53.03941	9.3
55.01863	7.4
55.05511	40.1
57.03444	12.6
57.07063	4.1
65.03910	5.1
67.05505	90.1
69.07068	30.9
71.04993	16.4
71.08644	3.9
75.10822	2.7
79.05493	73.0
81.03413	22.7
81.07058	100.0
83.04981	6.4
83.08618	17.3
83.69144	2.5
85.06536	12.4
91.05479	59.0
92.86749	2.4
93.06478	3.7
93.07045	66.1
95.04976	16.1
95.08620	68.1
97.06564	15.1
97.10163	19.5
99.08079	4.4
102.21684	2.7
105.07034	52.2
107.04998	6.3
107.08587	48.7
109.06519	9.7
109.10159	33.2
111.04465	2.4
111.08083	5.9
117.07021	16.9
119.08580	50.4
121.06530	6.7
121.10136	33.1
123.01736	3.3
123.08080	5.7
123.11705	8.9
125.09646	16.8
129.06993	16.7
131.08569	34.0
133.10155	29.8
135.08040	9.5
135.11707	18.4
137.09586	4.9
139.11172	3.3
141.07001	4.9
142.07816	3.2
143.08559	16.7
145.10159	23.9
147.08005	4.9
147.11693	27.1
149.02336	2.9
149.09639	6.8
149.13274	12.6
149.58606	3.1
155.08549	8.0
157.10168	19.5
159.11679	21.7
161.09703	3.4
161.13246	11.2
163.11185	6.6
163.14717	3.0
169.10172	8.8
171.11682	12.2
173.13237	16.2
175.11174	6.3
175.14771	6.6
181.10136	5.1
183.11682	9.7
185.13289	7.1
187.14825	7.7
189.11142	8.0
193.12238	10.9
195.11771	5.5
195.13675	4.4
195.15485	3.0
197.13322	4.6
199.14880	4.4
209.13351	4.7
211.14903	5.1
219.17548	2.7
219.57520	3.2
223.14964	3.7
227.12730	13.5
229.14316	2.8
239.16243	3.9
259.20612	3.2
261.22089	13.4
267.15900	28.6
269.17444	3.0
271.20560	5.0
273.18552	5.4
273.21887	2.8
275.20178	3.4
275.72986	3.4
285.22162	5.0
287.23810	4.6
289.21799	5.7
291.19647	5.5
293.21146	11.0
294.99411	2.7
297.85416	3.0
301.25174	7.8
309.38120	2.6
315.23193	4.2
315.45975	2.8
316.57755	2.8
317.24731	2.9
327.23172	5.6
329.24823	2.7
333.24142	4.0
335.25806	22.4
337.25168	3.2
359.25690	4.4
363.25186	3.5
417.31464	7.4
435.27377	3.5
435.32565	17.6
453.33649	15.8
471.34586	7.4
483.04620	2.8
509.36115	9.5
527.37317	74.7
545.38336	69.6
559.39032	14.6
577.39362	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	579.1503
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
55.01871	1.2
65.03954	1.1
65.96893	0.6
67.01863	0.6
67.05521	0.8
68.99792	3.6
70.57898	1.3
76.27422	0.6
77.03928	0.7
81.03426	2.9
85.02911	0.7
89.03888	1.0
91.05475	1.3
93.03406	0.6
95.04981	1.5
99.04459	1.2
105.03403	0.5
107.04960	3.2
107.29657	0.5
109.02913	3.3
111.00836	2.5
111.04461	2.8
115.05497	0.7
117.03445	0.6
119.04948	2.0
121.02880	1.0
123.04443	43.9
127.03931	100.0
131.04967	2.0
133.06454	0.6
135.04434	30.7
137.02382	3.3
139.03920	50.6
143.04988	1.0
147.04425	7.6
149.02386	3.3
149.06027	1.4
151.03909	7.7
157.06496	0.5
159.04472	3.0
161.05977	3.2
163.03928	34.8
165.05495	8.1
167.03415	4.8
169.06537	1.6
173.05988	2.7
175.03961	2.9
177.05495	3.5
179.03448	2.8
179.06956	0.6
185.06012	1.5
187.03932	4.2
187.07515	0.8
189.05507	2.8
191.03433	9.5
193.04994	2.3
197.06018	3.8
201.05502	5.3
202.06174	0.6
203.03410	6.9
203.07117	1.8
205.05020	2.5
207.06587	1.8
213.05522	0.7
215.03429	1.8
215.07077	2.3
217.05084	1.5
222.76338	0.6
225.05565	1.2
229.04971	6.2
230.05724	0.6
231.06590	1.9
233.04471	5.2
240.98460	0.6
241.05011	1.5
242.11681	0.6
243.06509	5.0
245.04483	4.9
247.06050	13.5
247.08435	0.9
251.05573	1.2
253.05035	1.3
255.06630	1.2
257.04468	9.0
259.06027	7.9
261.07639	0.7
269.04529	2.3
271.06030	17.8
273.07556	1.1
275.05536	13.6
283.05984	4.6
287.05533	17.6
289.07104	17.6
291.08661	22.4
296.12268	0.6
297.07571	0.6
299.05594	3.0
301.07095	10.8
303.08643	2.0
311.05634	0.7
333.10098	0.7
373.09384	0.7
391.07971	0.7
409.09229	20.2
411.10742	2.4
421.09018	1.5
427.10190	8.5
435.10962	1.0
439.10373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02377	0.8
53.03940	1.0
55.01865	1.2
65.03962	0.7
68.99789	4.1
70.66389	1.4
70.66728	0.9
77.03913	1.1
81.03420	2.3
86.45013	0.6
87.01365	0.5
89.03941	0.8
93.03404	0.7
95.04952	0.9
98.21382	0.7
99.04464	1.0
107.04977	2.9
109.02884	2.7
111.00810	2.1
111.04433	2.2
115.05489	0.6
119.04953	2.1
121.02898	1.7
122.82401	0.7
123.04430	40.2
126.59856	0.6
127.03918	100.0
131.04915	1.7
135.04416	26.8
137.02335	2.0
139.03905	46.4
141.06966	0.8
143.04903	0.9
145.02937	0.7
145.06502	0.8
147.04414	5.3
149.02325	3.3
149.05974	1.7
151.03893	6.9
157.06560	1.4
159.04446	2.6
161.05968	2.8
163.03911	34.9
165.05484	5.9
167.03415	7.6
169.06442	0.9
173.06024	2.5
175.03937	2.7
177.05479	3.3
178.64290	0.6
179.03395	2.7
185.05988	1.4
187.03856	5.6
189.05473	2.3
191.03401	10.4
191.14438	0.6
193.05032	2.6
197.05954	3.1
201.05489	5.9
203.03406	7.8
203.07056	2.1
205.04980	3.2
207.06555	1.9
213.05577	1.2
215.03474	1.5
215.07083	2.1
217.04996	2.4
225.05502	1.0
229.04926	6.5
231.06447	0.8
233.04494	5.6
237.05544	0.7
241.04979	1.3
243.06496	4.7
245.04488	5.2
247.06042	16.1
251.05568	1.4
253.05095	1.1
255.06570	1.0
257.04483	9.1
258.05258	0.7
259.05981	8.4
269.04620	2.0
271.06003	19.2
271.08813	1.1
273.07736	1.6
275.05493	15.3
283.06058	6.1
287.02222	1.0
287.05499	20.3
289.07068	15.6
291.08633	16.1
297.07712	0.7
299.05615	4.4
301.07077	14.0
303.08643	1.8
311.05615	0.8
409.09192	23.8
410.09692	0.6
411.10831	3.6
421.09229	1.1
427.10272	8.5
435.10757	0.9
439.10126	1.2
529.41504	0.7
587.31061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02396	0.6
53.03944	0.7
55.01867	1.2
57.06577	0.4
65.03928	0.5
67.01846	0.7
67.05500	0.7
68.99787	4.8
69.65544	0.8
69.65942	2.2
70.00894	0.4
77.03906	0.4
79.05486	1.3
81.03417	2.7
84.89790	0.4
85.02866	0.4
89.03927	0.8
93.03396	0.8
95.04967	1.3
99.04471	1.1
103.05486	0.6
105.03409	0.9
107.04959	3.0
109.02907	3.4
111.00809	1.7
111.04452	2.2
112.87885	0.4
115.05477	0.6
117.03405	0.5
119.04922	0.9
121.02880	1.2
123.04436	32.5
123.68923	0.5
127.03922	100.0
129.07004	0.4
131.04941	1.6
135.04424	29.4
137.02325	1.9
139.03909	38.2
141.06967	1.2
143.04922	1.3
145.06389	0.5
147.04414	5.2
149.02361	3.9
149.05988	1.7
151.03923	6.4
155.04948	0.7
157.06512	0.5
159.04405	3.2
161.05986	2.3
163.03917	28.7
165.05496	4.9
167.03424	6.6
167.04774	0.8
169.05054	0.5
169.06480	1.9
173.06032	2.4
175.03882	3.4
177.05463	2.8
179.03374	3.1
181.06532	1.1
183.04489	1.2
185.06009	1.0
187.03867	5.4
187.05217	0.4
187.07562	0.9
189.05528	1.8
191.03407	9.9
193.04951	3.0
197.06026	2.6
201.03723	0.8
201.05460	6.3
203.03413	7.8
203.07056	1.5
205.05013	2.9
207.06593	1.0
213.05374	1.1
215.03482	1.1
215.07085	1.8
217.05051	1.1
225.05542	1.2
227.03471	0.7
227.07243	0.5
229.04988	6.0
231.06567	1.5
233.04474	4.7
241.05038	1.3
243.06570	4.6
245.04436	4.9
247.06032	11.4
247.08412	0.7
251.05592	1.2
253.04976	1.2
255.06587	1.4
257.04468	7.5
259.06067	8.0
269.04474	1.4
271.06039	15.0
273.07550	0.9
275.05490	13.7
283.06015	5.1
287.05515	16.2
289.07086	12.9
289.09616	0.4
291.08624	9.9
291.11627	0.8
299.05524	3.3
301.07065	9.9
303.08722	1.7
409.09192	17.7
411.10809	2.8
421.09009	1.0
427.10248	6.2
435.10718	0.7
439.10471	1.0
579.20844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1504
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02365	1.6
53.03954	2.3
53.35979	0.9
55.01885	2.0
57.03437	1.7
61.02914	1.3
65.03934	3.6
67.05505	2.0
68.99792	4.0
69.03416	2.7
71.54035	1.1
73.02931	1.0
77.03930	2.3
79.05491	5.2
81.03418	2.9
81.07056	1.5
83.04947	1.2
84.96001	1.1
85.02905	5.2
89.03896	1.3
91.03985	1.2
91.05467	4.1
93.03401	2.6
93.06997	1.2
95.04974	4.5
97.02911	2.1
97.06517	2.2
98.97568	1.6
99.04450	1.8
103.05458	1.2
105.03362	2.8
105.07074	1.1
107.04961	13.6
109.02871	3.4
111.00772	1.8
111.04440	3.3
115.05424	1.9
117.07031	0.9
119.04935	5.4
121.02834	1.0
121.06516	1.5
123.04436	100.0
124.05225	1.9
127.03927	76.7
131.04883	2.7
133.02881	1.0
133.06490	1.0
135.04428	28.1
137.02345	4.0
137.05977	2.7
139.03911	35.9
141.07033	1.3
143.04895	1.4
145.06552	2.0
147.04408	15.1
149.02313	3.0
149.05998	1.6
151.03923	7.4
152.04668	1.2
153.01762	1.2
157.06470	1.4
158.99586	1.4
159.04422	3.6
161.05992	7.6
163.03915	37.4
165.05505	9.4
167.03458	4.4
167.07060	28.2
169.04948	1.4
169.06401	0.9
173.05995	3.6
175.03877	3.1
175.07503	1.7
177.05479	4.2
179.03386	5.8
181.04971	34.0
181.06535	2.0
185.05957	1.6
187.03894	4.4
187.07568	2.2
189.05513	4.3
191.03368	7.7
193.04958	5.8
195.06548	4.0
197.06000	2.2
201.05478	6.2
203.03386	10.5
203.06992	2.6
205.04906	3.1
207.06514	3.3
213.05473	3.5
215.03409	2.5
215.07076	2.1
217.05009	3.2
229.04941	7.6
233.04486	1.1
233.08061	1.5
241.04942	3.3
243.06557	4.1
245.04477	14.4
245.08295	1.2
247.06021	14.0
255.06482	3.5
257.04468	16.9
258.05267	2.1
259.06036	3.9
269.04446	2.0
271.06024	18.5
273.07645	1.4
275.05450	12.6
283.06052	7.3
285.07529	2.0
287.05493	33.5
289.07043	11.1
291.08682	15.2
299.05515	9.1
301.07077	10.6
303.01337	2.1
303.05032	3.3
303.08621	3.6
313.06921	3.4
315.08783	1.5
333.09900	1.8
339.12335	1.1
373.09180	1.0
377.01746	3.5
381.13168	2.6
387.14468	2.4
399.14478	10.4
409.03696	2.0
409.09207	39.3
411.10687	2.3
417.15417	7.3
421.09290	3.0
427.10199	7.7
435.10785	4.8
439.10056	6.5
453.11847	2.9
561.13800	1.9
579.21899	5.8
579.33649	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	579.1494
Annotation	ent-Epicatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01860	1.8
57.03430	0.9
60.15477	0.4
61.02922	0.7
65.03946	0.5
67.01850	0.5
67.05505	0.6
68.99789	4.4
69.03432	4.6
69.55655	0.9
69.56065	2.3
71.04973	0.4
73.02915	1.0
77.03963	0.4
79.05493	0.9
81.03424	3.7
82.72419	0.5
85.02907	8.9
85.03374	0.8
85.22295	0.4
86.03199	0.6
89.03941	1.0
91.05482	1.3
93.03424	0.7
95.01359	0.5
95.04974	1.7
97.02900	3.9
98.97598	0.8
99.04447	2.1
101.00864	0.6
103.05434	0.7
105.03392	1.0
107.04955	3.5
109.02891	3.8
111.00777	2.6
111.04442	2.4
115.03952	0.5
115.05409	0.5
117.03360	0.7
119.01912	1.5
119.04934	1.3
121.02850	1.4
123.04431	39.9
127.03919	100.0
129.07033	0.6
131.01889	0.8
131.04927	2.1
133.06488	0.6
135.04417	28.2
137.02353	3.5
137.05978	2.0
139.03903	46.3
141.06993	0.8
143.01892	1.5
143.04889	1.1
145.03593	0.9
145.04974	3.2
145.06458	0.6
147.04413	4.9
149.02353	4.2
149.05988	1.8
151.02730	0.8
151.03896	8.6
153.01811	2.8
153.13113	0.5
155.01907	1.1
155.04973	0.8
157.03496	0.9
157.06450	0.9
159.04382	2.9
161.02975	1.7
161.05981	2.9
163.03909	35.5
165.05489	4.4
167.01994	1.1
167.03404	7.6
169.03494	0.9
169.06496	1.7
173.03029	1.0
173.06023	2.5
174.02957	0.5
175.03833	2.8
177.05443	3.3
179.01944	0.8
179.03387	3.2
179.07077	0.6
181.04929	0.7
181.06448	0.6
183.04562	0.9
183.55383	0.4
185.02977	2.0
185.06038	1.2
187.03870	4.8
189.05515	3.1
191.03424	12.1
193.05019	2.8
197.03032	0.8
197.05983	4.0
199.04027	0.6
201.05438	5.1
203.03404	8.1
203.06973	2.1
205.04994	3.0
207.06520	1.0
211.54730	0.4
213.05605	1.4
215.03505	1.8
215.07042	1.8
217.05022	1.3
219.01749	0.5
219.06923	0.6
221.05014	1.2
225.05598	0.6
227.03725	0.6
227.07318	0.7
229.04977	7.2
231.06448	2.1
233.04419	5.7
236.57019	0.7
237.02711	0.5
237.05865	1.2
241.05005	1.6
243.06516	4.5
245.04651	9.2
246.05328	1.1
247.06049	19.2
251.05518	1.6
253.05161	1.4
255.06612	2.0
257.04477	10.0
257.07034	0.9
258.05344	0.7
259.02560	0.7
259.06055	9.7
261.07581	1.1
263.06174	0.7
269.04544	2.2
271.06012	18.9
273.07858	1.7
275.05502	17.1
277.03436	2.2
281.07413	0.5
283.06046	7.4
287.05511	19.7
289.07062	14.8
289.10132	0.8
291.08633	12.7
297.07462	0.5
299.05551	3.4
301.07071	12.1
303.01334	1.1
303.08679	2.5
304.01703	0.5
305.07040	0.6
311.05612	0.8
321.10266	1.6
327.09860	1.0
329.11551	0.5
365.09244	0.7
391.08130	0.7
393.09354	0.6
409.09171	24.9
411.10400	2.5
417.08829	1.0
421.09335	1.8
425.37674	0.5
427.10220	8.3
439.10263	1.5
492.03870	0.5
579.13983	3.0
579.22906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1716
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03933	1.1
53.74035	0.8
55.05521	0.9
57.03440	4.4
67.05483	0.8
69.03437	1.4
70.77561	1.4
71.05000	26.6
77.11625	0.9
77.42647	0.7
85.02917	29.7
87.04475	0.9
91.05521	0.9
97.02893	0.9
97.93338	0.8
98.97598	1.5
103.03943	1.2
109.02892	1.7
111.04433	1.0
119.04940	2.6
121.02860	7.9
123.04420	3.3
127.03941	4.1
129.05528	3.7
135.04402	1.5
139.03902	3.0
145.02876	1.7
147.04395	1.3
147.06610	0.9
149.02315	1.6
158.99606	1.0
163.03917	3.8
165.01862	8.7
167.03377	2.4
167.07080	2.6
173.05975	1.0
177.01900	1.6
177.05478	0.9
181.05017	0.8
183.02945	1.9
187.04018	1.0
191.03404	1.0
194.86798	0.8
195.02930	2.6
205.04964	1.5
213.05560	0.9
217.05045	1.3
229.14671	0.8
233.04544	0.9
238.12245	0.8
243.02948	1.8
255.06499	2.2
256.07278	1.3
261.03772	0.9
267.06555	7.0
270.05316	3.2
271.06061	8.8
275.05365	0.9
281.08008	6.4
283.06046	90.8
283.24155	0.9
284.06845	14.4
285.07562	1.6
295.06107	13.3
295.09470	1.9
297.04477	1.3
297.07529	6.5
303.04877	1.1
305.07770	1.5
308.06836	2.0
309.04095	1.1
309.07541	19.0
313.07095	100.0
321.07623	1.9
323.05554	1.3
323.09207	17.0
325.07147	2.5
333.07547	3.4
337.07089	42.4
342.17520	1.0
343.07959	1.3
349.07059	8.6
351.08466	3.8
361.07144	7.7
367.08191	22.8
373.09625	1.0
379.08167	18.8
397.09247	26.0
415.10284	43.9
433.11383	94.4
434.11621	1.1
455.19443	0.9
579.16620	11.2
579.25238	1.1
588.93030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
69.33971	2.0
73.22932	0.2
105.04488	0.3
123.04426	1.3
124.04766	0.3
127.03927	2.2
128.04277	0.5
128.07082	0.5
132.05568	1.4
133.06346	0.5
135.04443	0.6
135.05412	0.3
139.03917	1.3
147.04437	0.2
160.05077	88.2
163.03934	0.8
164.04303	0.3
165.05574	0.3
177.05544	0.7
180.11485	0.2
181.04977	0.3
192.07693	100.0
193.08128	0.5
198.29187	0.2
201.05447	0.3
248.09279	0.3
266.10303	0.4
271.05899	0.4
287.05499	0.3
302.07330	0.3
324.58575	0.2
360.17242	0.2
400.08105	0.3
410.09702	0.6
418.14835	0.5
496.45520	0.2
560.61383	0.2
580.20349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11766	2.3
53.03941	5.7
55.01885	3.2
55.05506	17.8
55.21357	2.4
57.03440	18.4
67.05508	62.8
69.03432	2.7
69.07063	14.1
70.18566	7.8
71.04974	4.3
79.05497	46.0
81.03421	48.8
81.07057	62.5
83.04984	11.5
83.08624	23.6
85.02911	17.3
91.05476	42.2
93.07054	55.3
95.04955	17.9
95.08610	40.1
97.06525	6.5
97.10193	3.7
97.15889	2.8
102.51329	2.4
105.07028	28.4
107.04947	4.9
107.08597	25.5
109.10159	15.5
111.08091	5.9
117.07045	4.5
119.08595	19.5
121.10142	20.9
123.08067	4.3
123.11699	7.9
125.09617	4.5
129.06985	13.1
131.08577	13.4
133.06503	3.2
133.10121	13.5
135.11723	9.8
137.09569	3.7
145.10132	3.8
147.11755	16.4
149.09631	4.9
149.13248	3.9
157.10138	14.1
159.11757	3.7
163.14815	4.3
175.11194	12.2
193.12245	38.7
204.05775	2.4
211.13306	48.9
226.73213	3.0
261.22168	8.4
267.15918	8.8
285.16992	44.6
305.99316	3.1
335.25800	100.0
343.81241	3.1
391.07434	3.4
424.82739	2.9
527.37189	8.8
545.30469	4.5
545.38434	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	581.1505
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01877	1.2
57.03446	30.7
61.02933	8.7
66.32656	0.4
67.05502	1.5
68.99776	0.7
69.03439	38.6
70.64379	0.7
70.64759	1.4
71.01363	5.3
71.05001	8.5
73.02926	63.7
75.04491	1.6
81.03427	0.7
83.05011	2.5
85.02914	28.8
85.06564	1.1
87.04465	4.3
95.04984	1.5
97.02905	17.5
103.03957	22.4
105.07049	0.9
107.04986	0.9
109.02896	0.9
111.00813	1.3
111.04456	1.6
113.02400	2.2
113.05999	3.1
115.03944	23.5
116.98816	0.5
121.02885	0.5
123.04433	1.1
127.03876	0.7
129.05496	4.6
131.03401	0.9
133.04996	8.8
133.06487	0.9
135.04489	0.6
137.02364	4.7
137.05974	1.4
139.03937	0.7
145.06544	0.5
147.06522	1.1
149.04472	33.5
153.01833	3.7
161.06024	0.8
163.03923	0.9
165.01839	2.2
167.07047	4.2
168.07394	0.9
169.04985	7.7
173.06114	0.8
175.06087	4.4
181.05031	0.8
183.02905	0.7
192.07648	0.5
195.03014	0.5
201.05508	1.4
229.05002	4.2
243.08737	0.7
249.11363	0.7
257.04303	2.2
257.13739	0.9
263.10654	0.6
266.67307	0.5
274.04849	0.7
275.05457	0.5
285.04059	1.1
299.05402	0.8
302.04245	0.8
303.05032	100.0
315.05011	5.3
316.05786	0.6
323.09390	0.6
327.04907	2.0
329.06622	0.6
341.06732	1.1
345.06134	10.3
367.08582	0.6
369.06235	3.0
369.13245	1.0
383.14966	0.7
389.15784	1.6
395.07797	2.6
395.12268	0.6
401.15912	2.5
413.08710	6.7
431.09918	4.3
449.10818	9.4
581.14423	1.5
581.21289	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	581.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03946	7.0
55.01873	8.8
55.05508	21.7
57.03430	6.2
59.04993	4.3
64.73264	1.3
65.03940	2.5
67.05505	72.7
69.03429	18.1
69.07049	6.1
71.01344	2.0
71.04991	6.7
79.05488	18.5
79.51874	1.8
81.03419	61.8
81.07053	26.7
83.01340	4.7
83.04984	18.5
83.08625	12.4
85.02902	6.8
85.06570	2.6
91.05480	17.3
92.20883	1.3
93.07047	25.8
95.04975	6.8
95.08605	8.7
97.02894	12.6
97.06554	3.5
97.10174	8.2
99.04451	6.5
105.07015	8.9
107.04966	6.8
107.08595	12.5
109.02878	13.7
109.06522	6.2
109.10150	43.4
111.04457	12.3
111.08092	4.5
115.05430	1.7
117.07010	6.0
119.08572	11.0
121.06480	2.9
121.10141	7.5
123.04460	2.8
123.08073	2.8
123.11704	2.0
125.09647	8.1
127.03939	11.5
129.05568	1.4
129.07010	2.6
131.08542	3.0
132.56349	1.4
133.10127	3.1
135.08052	3.3
135.11690	7.9
137.09621	4.2
143.08507	1.9
145.10112	9.2
147.08018	1.8
151.11118	1.5
153.09093	1.9
153.12729	7.5
155.10619	3.2
157.10135	1.9
163.11171	13.5
173.09584	2.5
173.11786	11.5
175.31044	1.3
181.12259	3.4
189.11238	6.3
191.10706	4.6
209.11740	5.9
210.52545	1.6
227.12779	11.2
229.14258	4.2
281.13892	2.0
283.15445	2.7
299.14941	9.5
323.38898	1.5
353.15964	4.7
355.17453	6.9
409.18881	1.9
437.25443	9.4
461.25406	1.5
507.25946	3.2
563.28381	3.2
573.64252	1.8
581.29529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.7
55.05494	0.4
57.03426	0.4
61.02897	0.4
65.82607	0.4
69.03409	1.1
69.34546	3.1
71.04980	0.5
79.05503	0.4
79.43112	0.3
81.03394	0.6
81.07048	0.4
81.63623	0.4
82.75114	0.4
85.02916	3.5
90.40634	0.3
91.05518	0.8
97.02887	1.5
98.21597	0.4
98.97569	0.5
101.52824	0.4
103.05479	2.2
105.07039	6.4
107.04950	0.5
107.08601	0.4
109.06573	0.4
115.05450	2.4
123.04407	0.6
127.03938	1.0
130.32104	0.4
131.04941	2.8
133.06503	4.1
137.06000	7.0
141.06996	1.2
143.06065	0.5
145.05051	0.7
145.06453	0.5
146.03632	3.6
147.04430	0.8
147.08128	0.4
151.07545	1.6
161.05992	44.9
163.03862	0.6
163.07564	2.7
165.06961	0.7
169.06485	1.1
175.07558	19.9
177.09074	0.5
178.07758	0.5
179.08546	0.9
180.08693	0.5
181.06474	0.5
187.07463	0.4
190.07758	1.4
191.08618	0.8
193.08577	0.4
194.07257	2.1
195.08063	0.6
201.09140	0.9
203.08510	0.6
204.09464	0.5
205.06520	1.2
205.10114	2.4
207.08150	1.9
208.08890	0.5
209.05983	0.4
209.09680	1.2
215.08601	1.6
218.07310	1.4
219.08023	1.3
219.10202	2.3
221.05980	2.0
221.09583	1.1
222.06781	2.1
222.10291	0.9
223.07530	1.3
224.08366	1.9
225.08954	0.5
232.08852	1.5
233.05974	1.3
233.09660	5.2
234.06660	1.7
234.10500	1.3
235.07512	3.2
235.11267	0.5
236.08232	1.9
237.05476	1.6
237.09134	5.4
238.09851	0.6
239.10767	1.1
243.08058	0.6
247.07558	1.0
249.05562	1.0
249.09077	1.5
250.06271	4.2
250.09882	3.7
251.06989	1.1
251.10835	0.5
252.07855	2.8
253.08629	0.9
260.08276	0.7
261.09131	6.7
262.10007	1.8
263.07104	2.3
264.07779	2.3
265.08618	20.5
265.12146	2.5
266.09332	0.6
267.10226	3.9
269.08063	1.6
275.10815	0.7
277.08600	1.4
278.09399	4.6
279.10141	1.3
281.08209	0.6
282.08926	0.6
283.10254	0.4
283.13202	2.2
284.10526	1.2
293.11722	12.1
296.10431	0.7
297.11255	5.7
299.12772	2.3
310.11996	0.9
311.12787	65.0
312.13409	1.0
325.14334	2.1
328.13422	0.4
343.15421	100.0
513.07758	0.4
518.82294	0.4
535.14258	0.4
549.56415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01857	1.8
55.05513	28.4
57.03440	16.6
57.07070	5.5
59.71454	2.0
61.30038	2.0
65.03952	2.2
67.05507	60.7
69.03429	5.5
69.07079	26.6
70.66637	6.0
71.04992	6.3
73.53471	1.9
74.90366	1.8
79.05496	33.0
81.03423	55.5
81.07059	67.5
83.04980	15.1
83.08623	28.2
85.02908	17.4
85.06563	3.8
91.05483	38.2
93.07050	28.6
95.04965	21.6
95.08607	40.1
97.06528	3.8
97.10176	10.8
98.20861	2.0
105.03703	2.4
105.07033	23.5
107.04958	6.5
107.08592	14.5
109.06499	7.4
109.10179	14.6
111.04434	2.8
111.08060	11.9
113.06048	2.5
117.06971	3.2
119.08589	23.9
121.10140	13.8
123.08101	2.6
123.11695	8.9
129.07019	9.0
131.08591	13.0
133.06508	2.4
133.10138	17.3
135.11678	2.9
137.13217	2.4
142.07758	2.9
143.08510	2.5
145.10130	4.7
147.07957	2.1
147.11684	15.1
149.09615	7.1
157.10156	13.3
161.13339	2.4
165.12753	3.7
173.13208	2.4
175.11153	14.5
175.14777	3.6
193.12234	42.2
211.13301	82.9
211.15291	4.5
263.23837	4.9
267.15933	21.4
285.16974	87.4
337.27374	100.0
364.69308	1.9
529.38898	14.6
547.39984	91.1
582.40485	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	583.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.6
55.01863	5.0
55.05513	19.8
57.03431	9.3
57.07083	1.7
59.05004	3.3
65.03934	3.7
67.05507	77.8
69.03429	15.5
69.07066	5.3
69.34027	10.1
71.04990	5.3
79.05498	20.3
81.03419	79.6
81.07057	29.8
83.04984	15.0
83.08621	17.0
85.02909	18.1
85.06535	3.6
86.68659	1.1
91.05481	24.0
93.07043	16.4
95.04970	16.1
95.08614	11.6
97.02895	15.1
97.06537	3.9
97.10175	9.9
99.04492	3.2
103.05441	1.2
105.07038	12.9
107.04935	6.1
107.08594	11.2
109.02882	15.6
109.06527	5.4
109.10160	55.4
110.16447	1.1
111.04435	11.6
111.08099	8.1
113.06022	1.6
115.05467	1.5
117.07008	3.5
119.08588	17.5
121.06487	2.7
121.10109	6.6
123.04456	2.9
123.08062	1.7
125.09631	8.7
127.03931	11.0
129.05495	2.4
129.07030	7.1
131.04871	1.2
131.08566	7.6
133.06499	2.8
133.10139	5.7
135.08092	2.2
135.11649	1.5
137.05962	2.4
137.09637	4.4
143.08640	1.4
145.10167	4.7
147.04401	1.7
147.08119	3.2
147.11705	10.5
149.09625	4.7
153.12804	2.1
155.10706	4.0
157.10133	8.5
161.05983	1.5
161.09651	1.4
163.11235	2.9
165.12802	3.6
167.07047	2.1
171.10252	1.5
173.05969	2.1
173.11732	14.9
173.13220	2.3
175.11214	6.9
181.12253	2.4
189.11282	3.2
191.10661	2.6
193.12250	26.6
211.13286	39.4
211.15271	2.3
215.63750	1.1
217.12344	1.5
223.13289	1.4
227.12733	6.1
229.14360	15.8
235.13354	1.8
265.14389	1.9
267.15927	10.1
277.14368	2.1
285.17029	3.6
299.14969	6.7
301.14481	4.3
309.16968	2.8
337.16599	4.1
355.17450	11.7
373.18698	2.7
375.18387	1.4
377.31516	1.3
411.20215	4.1
421.26031	9.7
439.26932	17.1
463.27057	2.2
505.27719	6.2
517.27692	1.7
547.29028	5.4
565.29907	9.8
583.31140	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.4
53.03936	7.7
55.01878	5.8
55.05513	25.1
57.03441	11.6
59.04988	4.1
65.03931	4.0
66.22644	1.2
67.05506	100.0
69.03427	16.7
69.07070	7.5
69.44498	8.3
71.01357	1.7
71.05005	9.6
79.05495	25.7
81.03419	92.0
81.07056	34.3
83.04987	18.6
83.08620	24.2
85.02906	22.8
85.06538	3.4
91.05481	28.9
91.05927	0.7
93.07043	19.5
95.04979	23.6
95.08617	14.7
97.02893	15.4
97.06538	4.3
97.10170	12.1
98.21430	2.6
99.04455	5.5
105.07025	21.7
107.04950	11.5
107.08605	12.1
109.02881	17.3
109.06516	5.4
109.10160	66.4
111.04446	17.5
111.08093	8.2
113.02335	1.6
113.06014	2.6
115.05450	2.9
117.07025	4.3
119.04922	1.3
119.08575	20.8
121.06517	6.1
121.10146	6.5
123.04420	3.4
123.08079	3.0
123.11736	2.5
125.09630	14.0
127.03909	12.2
129.05492	2.2
129.06987	8.0
131.05008	3.1
131.08566	7.2
133.06549	3.4
133.10161	8.1
135.08087	3.2
135.11638	1.7
137.06047	2.0
137.09628	3.5
139.03903	2.1
141.06967	1.5
142.07829	1.3
143.08569	2.5
145.06601	2.1
145.10149	4.2
147.04407	2.1
147.08047	3.1
147.11681	10.1
149.06035	2.1
149.09610	5.5
151.11169	1.7
155.10701	7.0
157.10150	9.3
161.09613	2.0
163.07457	1.3
163.11205	3.4
165.12767	2.9
171.10245	1.1
171.11720	2.5
173.05940	2.0
173.09554	1.3
173.11755	19.7
173.13179	2.1
175.11211	9.5
177.12872	1.6
181.12222	1.8
187.11215	1.8
187.45314	1.5
189.11226	6.3
189.12788	2.2
191.10704	1.6
193.12253	26.5
199.11273	1.4
203.14227	1.3
207.13768	1.3
211.13290	39.9
211.15263	2.3
219.13792	1.2
221.11742	1.3
227.12695	5.6
229.14360	32.7
235.13300	3.2
245.13771	1.6
247.13203	1.3
249.14893	2.0
259.13446	2.0
267.15906	12.2
273.14935	3.1
277.14334	6.7
285.16980	5.6
299.14859	9.5
301.14365	5.1
303.15952	1.4
309.16916	6.5
319.15323	1.8
329.21005	1.9
331.17545	5.7
337.16440	4.3
351.18115	4.6
355.17511	11.3
373.18710	2.7
375.18137	1.8
393.18991	3.6
403.24777	2.3
411.20453	2.7
421.25653	11.7
439.26941	26.9
445.25497	1.6
455.26456	2.4
463.26984	5.0
487.26614	3.6
505.28030	16.7
517.27655	2.0
529.28101	6.2
535.28967	4.6
547.29083	7.0
565.14514	1.8
565.29956	14.7
583.31104	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03938	4.2
55.05513	14.0
56.96579	1.8
57.07081	8.6
59.04994	2.5
62.11208	1.4
65.03941	3.4
67.05505	20.4
69.03416	9.8
69.07064	13.6
69.19030	12.4
71.08606	1.2
75.53778	1.2
77.03918	2.5
79.05499	22.4
81.03438	1.6
81.07059	34.3
83.04980	7.2
83.08629	9.5
85.06554	6.0
86.28529	1.5
91.05485	42.0
93.07047	46.1
95.04965	6.8
95.08607	35.7
96.58408	1.4
97.06534	4.3
98.97547	2.1
103.05457	3.9
105.04518	2.1
105.07035	67.0
107.04995	1.4
107.08603	37.8
108.05753	1.6
109.06512	10.4
109.10156	18.0
111.08099	2.6
111.95980	1.4
115.05471	5.5
116.06224	2.1
117.07013	16.4
119.08588	80.1
121.06508	4.1
121.10143	37.5
123.08086	12.7
123.11724	4.5
125.06017	3.1
125.09680	2.9
128.06210	12.5
129.07021	16.0
130.07825	7.6
131.08577	30.6
133.06502	3.1
133.10136	31.5
135.08057	9.7
135.11716	10.0
137.09599	11.3
139.07597	1.3
139.11171	1.7
141.06967	8.1
142.07782	21.0
143.08565	34.5
144.09367	6.4
145.10123	44.2
147.08037	15.0
147.11694	13.5
149.09612	6.9
149.13289	2.9
149.43080	1.3
151.07562	14.6
151.11171	1.9
153.06996	4.1
153.09135	1.4
154.07832	3.1
155.08560	14.6
156.09344	17.5
157.10130	49.2
158.10881	6.9
159.08112	3.1
159.11697	21.8
161.09644	4.8
161.13272	8.4
163.11197	7.6
165.07010	6.0
165.09113	33.7
166.07794	2.4
167.08578	10.0
167.10693	8.1
168.09351	9.7
169.10124	25.7
170.10916	7.1
171.11678	27.7
172.12392	1.7
173.09637	2.5
173.13254	22.3
173.14447	1.6
174.10403	1.3
175.11195	4.7
175.12692	1.3
175.14801	6.6
177.09132	1.8
178.07794	1.9
179.08554	15.5
180.09380	6.1
181.10159	15.6
181.12181	3.6
182.10899	9.7
183.11719	24.1
184.08794	1.8
184.12523	4.3
185.13240	17.2
187.11253	3.3
187.14867	5.3
189.12749	6.3
191.08597	1.5
191.14333	7.9
192.09412	4.4
193.10094	13.0
194.10933	9.5
195.11703	20.5
196.12527	5.0
197.13272	22.7
198.14139	1.9
199.14845	13.4
201.12796	2.2
201.16481	2.1
203.05992	1.7
203.14351	13.8
205.10207	5.0
206.10884	6.3
207.11742	18.5
207.13829	5.5
208.12552	6.1
209.13251	23.8
209.15184	1.2
210.14006	2.7
211.14859	10.4
213.12924	2.0
213.16432	4.6
215.14294	2.5
216.09387	1.8
217.10201	2.3
217.15845	10.8
218.10861	1.7
219.11670	7.7
220.12543	5.1
221.13278	15.5
221.15433	57.3
222.14043	4.0
223.14854	14.1
224.15593	1.8
225.12756	2.6
225.16414	5.5
227.14334	2.8
229.15808	2.1
230.10963	2.1
231.11766	6.9
231.13850	2.1
231.17590	3.2
232.12425	2.4
233.13264	10.5
233.15466	6.0
234.14082	3.0
235.14807	11.3
236.15607	1.9
237.16525	6.9
239.14325	2.5
239.17982	4.4
243.11729	2.5
244.12473	2.8
245.13243	6.4
246.14163	5.8
247.14772	9.3
247.16809	3.0
248.15643	3.1
249.16394	9.3
251.18053	4.9
253.15814	1.8
253.19740	2.0
257.13272	1.7
257.19171	6.7
258.14120	3.1
259.14966	5.1
260.15588	3.1
261.16409	11.5
262.17172	1.6
263.18045	6.6
265.19623	7.8
269.13324	1.7
269.19092	4.7
271.14920	2.7
271.20578	3.7
272.15601	2.2
273.16486	4.2
274.17142	1.4
275.17917	11.3
276.18710	1.7
277.19601	4.1
279.17758	1.5
279.21072	3.3
281.19046	2.0
283.14728	1.7
283.20532	16.2
284.15646	2.1
287.20215	4.2
289.19577	3.8
291.17599	1.6
291.20950	3.3
295.20648	4.9
297.22150	5.2
299.20334	1.7
300.21109	1.9
301.19263	3.0
302.20297	1.9
303.21103	2.3
309.22153	2.2
331.24234	7.2
333.22241	1.7
347.23581	2.5
349.25333	6.4
352.23926	3.2
357.25772	2.0
359.23486	1.6
365.24905	3.2
375.26852	8.0
378.64719	1.6
403.30130	4.0
437.30945	1.5
491.35172	3.8
503.35187	2.8
509.34592	3.9
547.39349	3.8
565.40436	25.9
583.26471	3.0
583.41473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05515	14.2
57.07079	7.2
59.04994	2.5
65.03938	2.5
67.05507	16.7
68.03668	0.9
69.03433	5.7
69.07072	13.1
69.83051	3.2
69.83461	1.5
77.03939	1.4
79.05495	17.4
81.07059	22.8
83.04974	7.1
83.08635	6.6
85.06548	5.8
91.04900	1.4
91.05483	33.4
93.07044	43.7
95.04982	7.2
95.08616	30.7
97.06522	6.0
97.10149	1.1
97.89313	0.9
99.08086	1.3
103.05477	2.8
104.06268	1.3
105.04586	1.3
105.07037	54.7
107.08596	35.7
109.06510	7.6
109.10157	15.6
110.81337	0.9
111.08089	2.7
111.08788	0.9
115.05471	3.9
116.06268	1.7
117.07032	12.0
119.05048	1.0
119.08585	57.7
121.06517	4.6
121.10147	37.4
122.07259	1.2
123.08081	12.6
123.11723	5.3
125.06001	2.5
125.09666	2.4
128.06219	8.7
129.07007	13.3
130.07803	6.3
131.07605	1.8
131.08568	28.3
131.09518	1.8
133.06543	1.8
133.07610	1.1
133.10146	29.5
135.08069	7.5
135.11688	12.9
137.09619	7.4
139.11172	2.3
141.06981	6.4
142.07774	15.8
143.08568	30.6
144.09373	5.0
145.06416	1.4
145.10126	37.5
147.08035	9.8
147.11717	12.1
149.09622	5.9
149.13278	2.7
151.07568	11.5
151.11205	1.3
153.07016	3.5
154.07788	1.7
155.08546	10.8
156.09358	15.3
157.10139	45.9
158.10880	5.2
159.08067	3.3
159.11700	23.6
160.12560	1.1
161.09616	4.7
161.13257	7.5
163.11183	6.0
165.07048	5.4
165.09137	15.4
166.07832	2.9
167.08568	8.4
167.10695	18.8
168.09319	5.7
169.10135	20.1
170.10860	6.2
170.71686	1.0
171.11708	25.4
172.12491	1.2
173.09660	4.0
173.13257	18.9
175.11198	2.8
175.14861	8.2
177.09137	1.2
177.12747	1.0
178.07852	1.7
179.08575	9.5
179.10065	1.2
179.10756	1.5
180.09395	4.0
181.10143	12.0
181.12135	5.6
182.10939	7.0
183.11696	23.0
184.12415	4.8
185.09666	1.3
185.13277	11.6
187.11188	1.9
187.14801	5.7
189.12761	6.1
189.16393	1.4
191.08635	1.3
191.14293	6.0
192.09351	2.3
193.10143	11.3
194.10907	7.8
195.11714	20.7
195.13440	2.1
196.12492	5.8
197.13264	16.6
198.14017	1.3
199.11177	2.1
199.14830	11.8
201.12680	2.0
201.16464	3.6
203.08591	1.2
203.14345	8.2
205.10103	2.5
205.15926	1.4
206.10933	6.0
207.11752	16.0
207.13852	5.8
208.12508	6.5
209.13290	23.8
209.15298	2.1
210.14153	3.0
211.14804	9.9
213.12839	2.0
213.16432	3.3
215.14359	3.1
217.10199	2.8
217.15906	6.3
218.10931	1.7
219.11716	6.6
219.17412	1.8
220.12582	3.7
221.13292	10.9
221.15437	33.6
222.13980	3.2
223.11388	1.3
223.14799	14.7
224.15652	2.2
225.16397	6.3
227.14299	2.3
229.10197	1.9
229.15921	2.3
230.10957	1.6
231.11723	4.5
231.17487	2.4
232.12520	2.4
233.13249	6.3
233.15459	7.1
234.14037	3.1
235.14809	10.7
236.15656	2.4
237.16408	7.8
239.14453	2.0
239.18105	2.8
241.15903	1.8
241.19673	1.0
243.11804	2.0
243.17754	1.2
244.12607	1.7
245.13196	6.0
246.14095	3.6
247.14839	7.4
248.15656	2.2
249.16422	8.4
250.17311	2.2
251.14342	1.9
251.17981	5.1
253.19614	2.2
255.17461	2.0
257.13211	2.0
257.19049	6.4
258.14063	2.3
259.14722	6.5
260.15692	3.1
261.16318	7.1
262.17184	1.2
263.18011	3.8
265.19525	6.7
269.19064	6.4
271.14789	2.5
271.20749	2.8
272.15598	1.5
273.16296	5.2
275.17862	9.0
276.18765	1.2
277.19641	4.4
279.21176	3.0
281.19107	2.2
283.14938	1.1
283.20560	13.6
285.18781	2.4
287.17776	2.4
287.20465	1.8
288.18829	1.6
289.19598	4.3
291.21063	1.5
293.19006	2.9
295.20645	4.3
297.18741	1.1
297.22122	3.1
298.17148	1.1
299.20471	2.0
301.19382	1.7
303.21097	1.8
307.20587	2.8
309.22202	2.5
311.17783	1.2
315.21118	1.4
317.22601	2.2
329.22604	1.6
331.24255	4.1
335.23923	1.6
343.24118	1.5
347.23740	1.6
349.25266	5.9
351.08969	1.0
355.24347	1.6
357.25839	2.5
359.23801	2.4
361.25293	2.4
365.24625	1.4
373.25327	1.4
375.26840	4.1
376.98096	1.0
381.25861	1.1
401.28687	1.0
403.30014	5.5
413.28677	1.3
427.30194	1.5
491.34927	3.1
503.35178	2.3
509.34402	1.4
547.39545	3.4
565.40375	21.1
583.41492	100.0
584.41663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03950	2.0
55.05508	6.4
57.07066	4.8
59.05014	1.3
59.82817	0.9
61.19310	0.9
62.15115	0.9
67.05513	11.2
69.03436	3.1
69.07088	5.3
69.35293	7.3
69.49311	0.8
73.89244	0.9
79.05507	8.0
81.07066	13.9
81.42064	1.0
83.04991	1.6
83.08619	2.9
85.06541	3.2
91.05492	14.1
93.07048	24.5
95.04993	3.6
95.08613	19.9
95.09179	1.9
95.34559	0.9
97.06551	1.5
98.21484	2.0
103.05473	1.3
105.07036	25.6
107.05002	1.2
107.08607	14.9
109.06530	2.7
109.10174	7.6
111.08123	1.0
117.07027	4.0
119.08598	24.0
121.06541	3.1
121.10159	16.1
123.08081	15.3
123.11741	1.6
125.06079	0.9
128.06245	3.7
129.07033	4.1
130.07848	2.0
131.08569	9.9
133.06508	2.2
133.10139	14.0
135.08061	6.6
135.11707	4.1
137.09647	9.4
139.11256	1.1
141.07036	1.5
142.07797	5.8
143.08574	10.9
144.09399	2.7
145.10147	16.5
147.08061	14.0
147.11679	5.8
149.09659	2.7
151.07541	16.0
151.08652	1.2
155.08606	5.3
156.09357	6.1
157.10149	23.2
158.10939	2.8
159.11693	9.3
161.09654	3.6
161.13239	4.5
163.11176	5.2
165.07004	2.4
165.07690	1.6
165.09131	29.2
165.10519	1.7
166.07758	0.9
167.08601	2.6
167.10709	1.0
168.09422	2.2
169.10115	8.0
170.10951	3.2
171.11693	11.5
173.09691	1.4
173.13301	7.9
175.11211	1.2
175.14873	2.8
179.08601	3.4
180.09398	1.3
181.10188	4.0
181.12175	1.5
182.10968	3.6
183.11694	7.8
185.13255	10.6
187.11195	1.0
187.14890	2.6
189.12834	3.7
192.09380	1.4
193.10158	4.7
194.10963	3.9
195.11765	6.6
196.12511	2.6
197.13249	9.0
199.11259	1.2
199.14828	2.7
201.16423	1.4
203.14307	12.5
206.10921	1.3
207.11717	5.4
207.13864	5.0
208.12471	2.6
209.13321	9.4
210.14040	1.7
211.14751	5.2
213.12787	1.8
213.16447	1.8
215.14505	1.3
217.15813	1.1
219.11702	2.5
219.17526	1.3
220.12483	2.3
221.13297	5.1
221.15372	44.1
222.14023	1.2
223.14891	4.0
225.16408	3.9
229.16020	1.2
231.17500	3.0
232.12625	1.1
233.13268	3.1
235.14856	3.8
237.16425	2.8
239.18021	1.8
241.36703	1.0
245.13297	1.4
246.14055	1.2
247.14806	1.6
247.17052	1.1
248.15613	1.1
249.16454	3.2
251.17982	1.6
253.19513	1.8
257.18939	1.8
259.14905	1.5
261.16415	2.3
263.18021	2.7
265.19583	2.1
269.19150	1.6
271.20670	1.4
273.16403	2.1
274.16959	1.1
275.17877	1.6
277.19583	1.8
279.21094	1.7
281.19003	1.6
283.20691	3.4
287.20435	1.9
289.19589	1.7
291.21338	1.5
295.20642	2.6
297.22107	2.8
301.19214	1.2
307.20605	1.2
316.89545	1.1
325.21655	1.1
349.25455	1.2
352.24139	1.7
357.26089	1.8
365.24710	2.8
375.26871	4.2
385.28729	1.3
403.29938	7.9
491.35226	1.4
503.35248	3.3
509.34207	2.0
547.39655	2.2
565.40472	26.3
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.05289	2.6
55.05516	17.7
57.03437	2.8
57.07088	14.3
59.05001	4.4
65.03949	2.4
67.05511	29.5
69.03436	6.7
69.07077	31.0
69.15876	3.6
69.16271	21.2
71.08641	3.0
75.50281	2.1
79.05500	31.1
81.03418	3.7
81.07063	39.7
81.07513	2.7
83.04995	8.8
83.08653	11.1
85.06575	8.7
85.10163	2.1
91.05490	58.8
93.07050	55.4
95.04961	11.6
95.08624	38.5
97.06540	5.4
97.10190	4.3
98.21513	5.5
103.05494	5.4
105.04514	2.8
105.07044	82.8
107.04949	2.5
107.08605	52.3
107.09296	3.1
109.06542	9.4
109.10172	27.7
111.08101	5.7
115.05524	4.6
117.07037	21.2
119.08596	100.0
121.06516	4.7
121.10156	53.5
123.08102	16.3
123.11746	4.3
125.06026	4.7
125.09692	4.5
128.06213	14.0
129.05455	2.5
129.07013	18.3
130.07823	8.5
131.08583	36.0
133.06526	4.4
133.10139	49.0
135.08095	11.5
135.11700	19.7
137.09631	13.3
141.07031	9.8
142.07788	29.4
143.08589	44.7
144.09373	6.4
145.10146	52.4
147.08052	22.3
147.11711	14.7
149.09682	9.5
149.13336	8.1
151.07547	11.8
153.07036	4.7
154.07784	4.3
155.08589	19.7
156.09337	22.6
157.08818	3.5
157.10135	61.0
158.10963	8.7
159.08130	8.6
159.11710	31.0
161.09700	3.1
161.13280	10.9
163.11234	9.4
165.07027	9.4
165.09131	32.0
166.07854	5.2
167.08638	9.7
167.10681	16.1
168.09410	6.7
169.10138	34.6
170.10965	8.7
171.11711	35.8
171.13136	2.6
173.09633	4.5
173.13286	24.5
175.11276	5.5
175.14850	12.9
179.08566	14.8
180.09355	5.5
181.10159	17.1
181.12283	7.6
182.10933	9.2
183.11684	29.7
184.12543	6.7
185.09686	2.5
185.13228	22.9
187.11217	4.9
187.14925	9.3
189.12796	7.8
191.14365	14.2
192.09422	4.9
193.10152	15.0
194.10870	12.8
195.11711	21.6
196.12523	8.5
197.13297	18.8
199.14864	15.4
201.16389	5.4
203.14354	17.7
205.10245	5.3
206.11008	8.6
207.11768	20.8
207.13751	6.1
208.12589	7.6
209.13281	33.2
209.15134	3.4
210.14075	3.1
211.11217	2.5
211.14848	12.5
213.12814	2.6
213.16396	5.5
215.14456	2.9
217.10201	4.6
217.15862	14.3
218.10973	5.1
219.11790	11.6
219.17596	2.7
220.12567	7.5
221.13313	13.3
221.15349	77.5
222.14085	3.0
223.14804	15.4
225.16425	6.5
227.14474	2.9
231.11836	8.3
232.12500	4.2
233.13316	12.0
233.15436	7.0
234.14073	5.1
235.14844	11.4
236.15530	3.3
237.16466	9.2
239.18007	5.9
245.13394	8.5
246.14142	6.1
247.14938	10.6
248.15721	3.4
249.16353	11.8
250.17365	2.5
251.18089	5.8
255.17516	3.5
257.13385	3.7
257.19080	8.1
258.13995	2.7
259.14923	8.2
260.15762	5.3
261.16360	12.2
263.18063	8.2
265.15686	2.5
265.19611	10.6
269.19077	6.0
271.14786	3.8
273.16306	3.8
275.17941	14.9
277.19727	6.6
281.18927	3.8
283.20670	19.1
285.16327	3.0
287.20334	3.9
289.19611	5.0
293.19077	4.5
295.20770	5.7
301.16418	5.6
301.19333	2.8
303.21005	3.1
307.20810	2.7
316.21933	4.2
329.22800	2.7
331.24255	5.5
339.29010	5.8
349.25403	8.6
361.25195	3.5
365.25070	2.7
375.27029	4.6
377.24429	2.9
473.34576	4.3
491.34998	11.0
503.35175	4.7
550.39526	2.5
565.40527	21.7
583.41595	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	1.6
55.05510	7.3
57.07081	8.0
59.04994	3.0
63.69444	1.2
65.03934	2.1
67.05508	12.0
69.03431	3.2
69.07063	7.2
70.99255	2.3
77.03888	1.6
79.05499	15.3
81.07059	18.4
83.04980	3.0
83.08620	3.7
85.06525	5.1
89.06017	3.4
91.05485	23.5
92.06269	1.6
93.07050	28.7
95.04961	4.9
95.08606	17.5
97.06506	3.2
97.10160	1.3
103.05492	2.0
105.07032	44.4
106.07839	2.3
107.08605	22.2
109.06534	6.0
109.10152	9.7
111.08083	1.9
115.05388	3.1
117.07038	12.9
119.08589	57.4
120.09383	2.9
121.06474	2.5
121.10151	17.4
122.10904	1.4
123.08108	7.0
123.11727	2.7
125.06061	1.7
128.06233	6.1
129.07016	11.2
130.07748	4.7
131.08574	27.2
132.09375	2.0
133.06485	2.7
133.08606	1.8
133.10139	28.6
135.08035	9.4
135.11700	10.1
137.09633	7.2
139.07538	1.8
141.06987	4.2
142.07788	10.5
143.08580	23.5
144.09358	8.1
145.06490	2.5
145.09059	2.1
145.10130	33.2
146.10818	1.8
147.08040	12.5
147.11674	9.9
149.09636	6.9
149.13261	1.4
151.07527	6.5
152.61110	1.1
153.06995	1.3
154.07756	1.5
155.08565	12.7
156.09377	9.9
157.06467	1.3
157.10141	37.6
158.10915	8.6
158.16626	1.2
159.08028	4.0
159.11694	24.2
161.09677	6.3
161.13258	5.6
163.11177	8.9
165.07086	2.5
165.07658	1.2
165.09113	23.9
167.08536	4.8
168.09357	4.1
169.10126	13.9
170.10907	6.1
171.11687	21.0
172.12421	5.4
173.09641	3.1
173.13254	14.0
174.13757	1.4
175.11165	11.1
175.14755	6.2
177.12720	4.6
179.08601	3.4
180.09331	3.8
181.10167	10.2
181.12105	6.3
182.10876	3.7
183.11713	17.3
184.12433	3.4
185.09669	4.0
185.13245	10.3
187.11169	3.5
187.14821	5.6
189.12726	5.6
190.13524	5.2
191.10687	2.7
191.14331	1.8
193.10129	4.9
193.12233	7.8
194.10939	5.0
195.11713	11.3
196.12505	3.2
197.09605	1.9
197.13268	14.2
198.14032	3.1
199.11156	5.0
199.14877	6.1
200.15587	2.0
201.12796	4.1
201.16397	3.5
203.14322	10.2
206.10847	2.2
207.11661	7.3
207.13805	6.2
208.12503	2.8
208.14517	3.7
209.13277	13.1
209.15202	2.3
210.13951	2.0
211.11194	2.3
211.14772	8.3
213.12798	2.3
213.16460	2.7
215.14337	1.7
217.15829	4.1
219.11743	2.3
219.13823	3.5
220.12402	1.9
221.13326	5.3
221.15361	48.4
222.14052	3.0
223.14757	9.2
224.15410	1.9
225.12701	3.4
225.16368	4.3
227.14189	1.8
229.15916	1.8
233.13257	1.5
233.15341	2.7
234.14105	1.7
234.16154	7.6
235.14857	5.1
236.15518	1.7
237.12714	3.0
237.16409	4.1
239.17880	1.4
241.15822	1.5
245.13048	1.4
247.14740	2.4
247.17012	7.7
249.16356	2.6
251.17976	4.0
253.15855	1.8
253.19609	1.6
255.17476	2.5
259.17090	2.7
261.16400	1.5
263.18008	3.4
265.16043	1.4
265.19504	2.1
267.17429	1.9
271.17160	1.6
271.20432	1.6
274.19400	1.6
275.17865	2.1
281.15561	1.8
281.18939	4.9
283.20596	2.0
285.18552	1.5
286.19196	4.0
291.21106	1.7
296.21313	3.4
297.22095	3.0
299.20111	8.3
300.20929	2.0
310.19431	1.8
311.20038	2.9
311.29343	1.6
312.20749	2.7
312.24283	1.8
325.21631	9.9
337.21396	7.1
352.23984	65.5
365.24799	12.2
383.25656	2.6
391.26065	1.7
397.27414	1.8
398.28165	3.3
403.29910	1.4
404.30481	5.4
411.28723	2.2
412.29684	12.9
425.30475	4.4
438.31348	12.7
474.35190	1.6
477.33463	1.6
489.33594	4.2
490.34613	1.4
491.35345	12.3
492.35712	8.8
504.36005	100.0
505.36090	2.0
566.41248	1.7
569.40002	2.7
584.42126	23.5
584.51868	1.4
584.55804	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93148	1.5
51.82138	1.4
53.03945	2.0
55.05518	3.4
57.07067	5.9
64.21992	1.6
66.97049	1.4
67.05522	8.6
69.03439	2.4
69.07075	6.9
70.78143	3.9
76.34552	1.6
79.05507	10.7
81.07046	12.1
83.04994	2.0
85.06544	4.6
87.73929	1.6
89.06055	2.6
91.05489	17.7
93.02016	1.6
93.07047	24.3
94.96810	1.9
95.04982	4.9
95.08618	16.9
102.23137	1.4
105.07037	37.2
105.07685	2.9
106.07800	2.1
107.08599	19.6
109.06539	5.0
109.10177	7.9
115.05445	3.0
117.07027	9.0
119.08584	44.4
120.09338	2.2
121.06505	5.1
121.10154	18.4
123.08093	7.1
123.11710	2.8
125.06009	3.5
128.06248	3.9
129.07007	9.0
130.07793	3.2
131.08585	24.5
133.10143	23.1
135.08070	8.7
135.11702	8.8
137.09644	6.6
141.06993	4.4
142.07753	9.9
143.08575	20.1
144.09346	7.2
145.10143	29.8
147.08051	10.2
147.11681	9.1
149.09641	4.0
151.07588	5.1
153.06958	1.6
155.08556	11.8
156.09363	6.8
157.10156	31.5
158.10915	5.3
159.08116	3.6
159.11696	21.0
161.09619	4.7
161.13307	3.8
163.11214	5.6
165.07021	2.9
165.09145	20.2
167.08548	4.5
168.09331	3.3
169.10117	13.1
170.10954	5.2
171.11681	18.9
172.12474	4.6
173.09680	2.4
173.13281	12.8
175.11220	8.6
175.14842	7.2
177.12775	2.9
179.08633	3.8
180.09366	2.9
181.10172	6.6
181.12262	4.5
182.10841	2.4
183.11717	14.7
185.13206	10.5
187.11154	1.7
187.14825	2.9
189.12784	5.5
190.13426	2.3
191.14351	2.5
193.10162	4.7
193.12260	5.6
194.10905	2.9
195.11731	9.8
196.12508	3.9
197.13251	13.3
198.14027	2.4
199.11147	2.2
199.14845	4.7
200.15495	2.1
201.12630	4.0
201.16383	2.1
203.14366	8.7
206.10977	2.2
207.11699	6.8
207.13806	4.4
208.12592	2.0
208.14603	4.7
209.13374	9.4
209.15222	2.7
211.11259	2.9
211.14847	5.4
213.12959	2.0
213.16507	2.3
217.15860	2.4
219.13969	2.5
219.17548	1.7
221.13318	4.9
221.15373	47.6
222.15738	2.8
223.14803	8.1
225.12909	1.8
225.16299	3.5
227.14337	1.7
233.13274	2.5
234.16151	9.5
235.14851	4.8
237.12625	2.1
237.16423	3.8
239.17903	2.4
241.15796	1.6
246.14076	1.7
247.16943	6.4
251.14365	2.5
263.18069	2.0
271.17047	3.0
281.19028	3.8
283.20480	2.2
286.19360	3.3
295.17300	2.0
297.18707	2.1
299.20105	11.6
300.20773	2.0
319.20514	2.4
325.21594	9.6
337.21692	6.3
352.23990	59.2
365.24722	12.3
376.28018	2.0
391.26794	2.1
398.28265	4.6
404.30826	6.7
411.28879	1.7
412.29736	14.8
425.30475	2.1
438.31387	15.7
489.33609	4.1
491.35297	9.8
492.36017	2.6
493.93051	1.9
504.36017	100.0
584.42291	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51236	2.4
55.05510	7.0
56.00245	2.3
57.07080	13.6
59.04979	3.2
67.05505	15.9
69.03435	4.7
69.07054	11.7
70.06599	2.8
71.08621	3.9
71.60573	2.6
73.04669	2.9
79.05492	19.1
81.07063	25.6
83.04980	5.8
83.08609	4.5
84.95502	3.0
85.06544	5.2
89.06026	18.9
91.05485	37.5
93.07039	37.4
95.04981	7.3
95.08607	23.0
97.06485	3.8
105.06382	4.9
105.07029	51.3
106.07835	3.4
107.08600	30.1
107.37128	2.4
109.06503	11.5
109.10174	13.9
111.08068	3.0
115.05439	5.0
117.07033	16.9
119.08588	66.4
121.06540	3.9
121.10133	19.0
123.08047	11.1
123.11738	2.8
125.05968	3.4
128.06187	5.3
129.06995	14.7
130.07761	4.5
131.08583	31.9
132.09348	3.1
133.06512	3.9
133.08586	7.5
133.10150	32.9
135.08022	13.0
135.11729	12.6
137.09601	10.0
139.07529	3.0
141.06998	6.2
142.07808	15.3
143.08566	32.8
144.09338	9.2
145.10118	52.5
147.08069	17.3
147.11702	14.8
149.09560	6.3
151.07552	6.6
151.11163	3.6
153.07053	3.7
155.08594	13.7
156.09363	14.5
157.10139	46.6
158.10902	10.0
159.08029	3.8
159.11696	29.9
160.12393	2.7
161.09581	7.8
161.13243	8.6
163.11183	9.2
165.06979	3.4
165.09131	27.3
166.07652	3.3
167.08542	7.6
169.10146	21.1
170.10875	10.5
171.11697	28.2
172.12442	5.2
173.09566	6.4
173.13268	13.7
175.11140	14.2
175.14896	13.5
177.12778	2.9
179.08585	5.9
181.10178	12.5
181.12215	8.1
183.11691	19.2
184.12308	3.5
185.13284	12.7
187.11212	5.2
187.14824	5.7
189.12746	6.0
190.13571	4.3
192.09406	3.6
193.10085	9.3
193.12285	8.4
194.10886	4.9
195.11722	14.2
195.13596	2.5
196.12421	5.9
197.13225	19.3
198.13971	4.3
199.11151	4.3
199.14859	7.1
201.12721	4.8
203.14328	13.6
206.10905	3.4
207.11668	10.7
207.13757	6.7
208.14536	4.7
209.13330	16.2
209.14995	3.9
211.14828	8.2
213.12802	2.7
213.16513	3.1
217.12328	3.0
219.13841	5.2
221.13271	7.4
221.15356	46.0
223.14796	10.2
225.16394	3.9
233.13269	3.3
233.15385	3.4
234.16074	8.1
235.14722	6.0
237.16344	5.1
243.13939	2.8
247.14514	3.3
247.16913	6.6
253.15814	3.7
267.17365	3.8
286.19348	5.2
299.19995	9.0
311.20081	3.2
311.29391	7.6
325.21576	9.8
337.21481	6.2
352.23950	68.0
365.24646	11.7
371.22647	5.9
378.25824	3.9
398.27985	7.8
404.30780	3.9
411.28928	4.1
412.29709	12.6
425.30569	5.8
438.31473	12.7
475.23911	2.7
489.33636	3.4
491.35098	11.0
492.35571	6.1
504.36002	100.0
515.53320	2.6
566.40869	5.1
568.11548	2.8
584.42023	22.7
584.56213	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	585.1238
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.03939	0.4
55.01865	0.6
64.17514	0.2
65.03938	3.1
66.82058	0.3
68.99790	0.6
69.03426	0.5
70.70963	0.3
70.71285	0.5
71.04962	0.3
79.98029	0.3
81.03436	1.4
81.07073	0.3
82.73865	0.3
85.02885	1.4
92.94131	0.2
93.03353	0.4
95.04983	1.4
97.02892	1.0
99.04456	0.5
105.07018	0.4
107.04940	0.3
109.02882	1.0
111.00811	0.4
111.04426	1.8
119.08638	0.3
121.02869	100.0
123.04475	0.3
126.71255	0.3
127.03912	0.7
137.02364	1.6
137.06026	0.4
139.03889	2.5
145.04948	0.5
149.02324	0.3
153.01836	2.0
163.03926	0.4
165.01860	1.2
167.07022	0.4
173.05942	0.5
201.05441	0.9
229.04945	2.6
257.04434	1.1
265.07016	2.0
283.08139	7.6
285.03839	0.7
294.98499	0.3
303.04993	55.7
304.05380	0.5
392.19601	0.4
423.33054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.8
53.03946	6.0
53.67594	0.7
55.01876	9.9
55.05512	24.0
57.03431	6.7
59.04998	1.2
65.87714	0.8
67.05505	25.8
69.03436	4.1
69.07066	7.1
71.01370	0.9
71.04989	3.6
79.05493	26.9
81.03417	35.5
81.07053	23.7
83.04974	6.7
83.08624	15.7
85.02910	15.2
85.06573	1.2
91.05482	28.1
93.03374	1.2
93.07041	17.4
95.01338	1.7
95.04363	1.4
95.04970	26.4
95.08604	9.3
97.02888	3.3
97.06536	2.5
97.10165	13.4
98.21504	2.5
100.94694	0.8
103.05476	3.1
105.03424	0.9
105.04522	1.5
105.07032	22.6
107.04947	11.5
107.08596	12.2
109.02882	97.2
109.06511	3.3
109.10165	6.2
111.04450	3.1
111.08078	6.1
113.06019	1.4
115.05441	5.3
117.07013	9.1
118.46889	0.7
119.04952	4.2
119.08586	13.0
121.02848	6.7
121.06497	9.3
121.10125	8.8
123.04446	2.8
123.08095	3.4
123.11723	1.3
123.24532	0.8
125.02357	1.5
125.09638	7.0
128.06219	3.1
129.07001	11.0
131.04953	10.4
131.08566	9.1
133.06493	10.6
133.10114	5.7
135.04427	2.9
135.08058	3.3
135.11679	3.7
137.02313	2.2
137.06009	1.7
137.09612	1.1
141.06995	5.3
142.07782	1.7
143.04903	1.4
143.08580	5.1
145.06493	9.8
145.10107	6.1
147.04422	11.5
147.08067	5.1
147.11687	6.0
149.05992	3.3
149.09634	4.1
151.03931	1.7
151.07567	1.0
153.07010	2.0
153.09146	1.7
153.12737	1.1
154.07822	1.0
155.03453	1.7
155.08575	4.7
157.06511	7.3
157.10124	6.8
159.04451	1.8
159.08080	4.9
159.11710	1.9
160.05186	1.6
161.05980	17.4
161.09630	3.7
163.11198	7.2
165.06996	1.9
165.12743	1.6
166.07800	1.0
167.07167	1.5
167.08563	3.2
169.06490	2.4
169.10107	2.8
171.04468	3.2
171.08058	5.0
171.10321	1.0
171.11749	2.4
173.06007	8.3
173.09639	3.2
174.06758	2.4
175.03926	3.0
175.07588	2.9
175.11186	6.2
177.05478	1.1
179.08566	2.0
181.06491	1.8
181.10139	2.6
181.12352	1.1
183.06706	0.8
183.08060	4.5
183.11700	1.6
184.08937	1.2
185.05980	4.8
185.09656	3.3
185.13251	1.1
186.06801	1.2
187.07529	6.8
187.11240	2.1
189.05461	20.5
189.09177	1.4
189.11232	2.9
189.12726	1.0
190.06239	5.0
191.10689	1.7
193.12245	16.5
195.08067	2.4
195.11636	1.3
196.08873	0.9
197.05908	1.3
197.09607	1.8
199.07571	3.7
199.14873	1.1
200.08441	0.8
201.05571	1.9
201.09216	2.1
203.07074	2.1
205.12259	0.9
209.09630	1.8
209.13359	1.3
211.07603	3.0
211.11320	1.1
211.13266	16.6
213.05527	2.4
213.09103	1.8
213.12776	1.7
215.07077	1.5
219.08109	1.1
219.13692	1.4
221.09651	1.4
221.13280	1.2
223.07542	1.2
223.11235	1.3
225.09149	1.2
227.07065	1.1
227.12796	2.6
227.14568	1.8
229.43481	1.0
237.12869	2.0
239.10680	0.9
243.13689	0.9
245.15363	2.2
247.11182	1.0
255.13782	8.2
257.15497	1.6
265.12192	1.7
267.16022	4.1
273.14838	24.5
275.16464	1.0
283.13196	7.7
283.15744	1.0
285.14890	3.5
285.17526	1.1
295.16989	1.7
297.14935	1.9
299.12442	0.9
301.14346	90.0
311.16351	1.9
313.18121	1.3
319.15433	11.9
323.16440	3.2
325.14401	1.4
335.16501	1.0
339.16156	2.0
341.17297	4.7
343.15219	1.5
346.72235	0.8
357.16858	5.3
375.18033	6.6
379.19101	0.8
381.16824	0.9
419.26151	1.0
425.75266	0.8
431.26129	1.0
447.25592	3.1
457.23969	2.3
465.26361	1.7
475.24789	9.3
483.27899	1.6
487.79321	1.0
493.25882	15.2
511.26968	7.8
529.28278	1.7
539.29980	2.1
549.28558	2.9
555.29834	2.2
567.20740	1.6
567.29565	30.2
585.30579	100.0
586.30835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
53.42485	1.6
55.01876	3.3
55.05514	11.2
57.03448	4.2
57.07074	3.2
67.05502	20.2
69.03450	2.6
69.07069	19.4
71.01360	6.7
71.26838	3.4
73.02929	8.9
75.04485	1.5
79.05489	19.1
81.03436	5.7
81.07056	50.5
82.64991	1.5
83.01332	1.6
83.04995	2.9
83.08618	9.5
85.02906	31.8
91.05477	20.2
93.07040	45.1
95.01311	11.8
95.04996	4.1
95.08607	58.6
97.02898	4.3
97.10203	5.2
99.00826	3.0
101.02441	2.5
103.03992	3.0
103.05473	1.9
105.07036	32.3
107.05004	2.9
107.08592	56.6
107.09279	2.9
109.02856	9.3
109.06548	3.2
109.10153	31.8
109.10822	2.8
111.04462	1.4
111.08083	1.7
113.02380	13.3
115.05495	3.0
115.89893	1.5
117.06982	7.5
119.08585	45.5
119.10003	1.6
121.06545	2.3
121.10138	44.4
123.08092	2.2
123.11713	10.9
125.09657	2.2
128.06296	1.6
129.07076	5.5
131.02589	1.4
131.03397	7.0
131.08559	29.9
133.10132	36.8
133.11086	2.3
135.08144	2.0
135.11679	19.5
137.13243	10.0
139.11212	2.0
141.01831	21.2
141.02721	1.9
142.07814	2.6
143.08546	11.1
144.09422	1.8
145.10117	27.2
145.11127	1.9
147.11688	37.2
149.09686	2.0
149.13257	53.7
151.14821	1.6
153.12735	1.8
155.08591	3.6
156.09399	2.9
157.10106	16.0
157.30597	1.4
159.02957	4.1
159.11678	24.6
161.13243	17.4
163.14816	75.9
165.06964	1.6
169.10204	3.0
171.08086	2.5
171.11682	13.3
172.12593	2.2
173.09828	2.2
173.13258	19.4
175.14827	18.3
175.16023	1.3
177.16371	29.1
183.11771	4.0
185.13281	13.7
187.14835	33.6
187.16414	2.1
189.05458	1.7
189.12717	1.8
189.16380	50.5
191.17944	10.2
193.12325	2.0
195.11806	2.0
197.13345	4.8
199.14799	14.1
201.16368	24.8
201.17928	1.9
203.14514	2.4
203.17935	24.6
207.17506	1.8
211.14972	2.6
213.05553	1.9
213.13177	1.8
213.16382	15.4
215.17944	29.4
217.19539	9.4
221.15834	1.4
225.16492	4.1
226.17218	2.7
227.17934	16.9
229.19490	20.1
231.21040	3.1
238.74310	1.4
239.17917	2.1
241.19479	17.8
243.21133	9.9
253.19525	10.1
255.21072	42.0
257.22617	21.4
264.45435	1.5
267.21060	11.2
269.22641	27.5
269.25168	2.0
269.79483	1.5
273.15051	3.1
281.22861	2.8
283.24271	2.6
295.24353	4.1
301.14450	12.6
321.25705	2.6
325.63455	1.5
335.27576	2.5
391.33572	64.8
409.34592	17.2
423.32474	10.0
435.24402	2.6
461.25284	13.9
567.29681	2.2
585.30505	13.0
585.38239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05512	8.3
57.03438	3.7
57.07077	2.6
59.89548	1.5
67.05504	13.8
69.03430	3.3
69.07064	23.1
71.01371	5.3
71.26858	3.5
73.02923	11.4
79.05495	16.0
81.07057	46.4
81.07523	2.5
83.04960	1.5
83.08640	7.0
85.02906	31.2
91.05479	18.0
91.05944	1.8
93.07043	40.5
95.01333	11.2
95.04975	2.0
95.08607	54.4
97.02900	2.0
97.06513	2.0
97.10205	3.7
99.00824	3.6
101.02398	2.7
103.03948	4.2
105.04533	2.1
105.07035	27.7
107.08594	59.7
107.09290	3.2
109.02893	1.6
109.10148	26.1
111.11756	2.1
113.02373	14.2
115.05467	2.4
117.06985	7.4
119.08575	36.7
119.09347	2.4
119.91732	1.7
121.10142	35.9
123.08082	1.6
123.11717	12.2
128.06290	1.8
128.89818	1.6
129.07051	5.3
131.03436	4.6
131.08565	20.5
131.09369	1.7
133.10129	31.5
133.11075	2.3
135.11685	25.1
137.13260	9.2
141.01819	23.9
141.02748	2.0
143.08553	11.7
145.10121	29.6
147.11693	37.5
147.12805	2.6
149.13257	51.3
151.14775	2.1
155.08598	2.9
156.09448	2.2
157.10132	15.7
158.10890	3.0
159.02951	4.5
159.11678	25.5
161.13234	20.4
161.14476	1.9
163.14822	83.7
169.10216	3.2
169.94908	1.6
170.10986	2.3
171.11734	10.8
173.13284	13.9
175.14822	22.2
175.16054	1.9
177.16383	30.5
177.17796	2.2
183.11748	4.6
184.12630	1.7
185.13248	11.8
187.14789	33.9
189.16383	51.2
191.17921	9.1
197.13324	2.8
198.14137	2.1
199.14818	10.5
201.16379	26.5
201.17972	2.3
203.17958	30.5
203.19745	2.4
211.14868	3.5
213.16402	13.9
215.17944	27.4
215.19832	1.9
217.19453	9.1
225.16464	4.4
227.17944	15.6
229.19540	20.1
231.21184	4.6
233.18979	1.6
237.16524	1.8
239.17822	3.3
241.19534	19.8
243.21100	14.9
253.19548	15.0
255.21091	47.3
257.22647	24.3
267.21042	13.3
269.22653	30.1
281.22812	3.3
295.24304	6.9
391.33560	73.0
409.34622	23.4
461.25281	17.2
585.38074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64571	3.4
52.12541	3.1
52.91883	3.0
53.03949	4.7
55.05507	15.4
56.31290	2.9
57.03414	5.1
67.05515	25.4
67.60212	3.3
69.03413	3.9
69.07075	31.1
69.14867	33.9
71.01346	3.7
73.02905	10.8
79.05503	20.5
81.03408	4.5
81.07054	61.8
83.08602	9.6
85.02906	44.7
91.05485	19.8
91.69792	3.4
93.06575	4.0
93.07056	50.6
95.01327	12.7
95.04932	4.1
95.08614	96.6
97.02896	4.1
97.10123	5.1
103.03905	3.5
105.07045	42.1
107.08599	76.9
109.06543	3.7
109.10161	38.4
113.02366	19.9
117.07024	7.9
119.08577	46.8
121.10153	50.8
123.11726	17.3
127.03955	4.4
129.06999	5.9
131.03325	7.4
131.08582	44.1
133.10126	38.7
135.11682	26.0
137.13225	11.2
141.01839	21.4
143.01892	5.7
143.08548	12.1
145.10124	37.3
147.11667	32.1
149.13274	44.0
155.08559	4.0
157.10092	16.2
159.02864	7.1
159.11693	29.6
161.13254	22.0
163.14835	80.8
169.10101	7.2
171.11685	13.2
173.13240	21.9
175.14825	23.0
177.16418	36.7
183.11536	5.6
185.13263	13.8
186.14206	3.9
187.14822	60.6
189.16397	86.8
191.17940	13.7
197.13144	4.7
199.14856	11.1
201.16382	44.7
203.17950	27.5
213.16374	17.4
215.17972	28.2
217.19481	15.2
227.17964	15.9
228.18602	3.6
229.19508	21.8
239.13835	3.8
239.17934	5.3
241.19446	15.9
243.21120	14.9
245.05096	13.6
247.16608	3.5
253.19518	21.4
255.21138	42.7
257.22656	52.5
263.06161	5.1
267.21091	18.6
269.22665	44.9
305.07178	8.3
391.33600	82.1
407.33063	5.2
409.34671	24.4
457.20294	9.1
461.25323	13.7
557.52844	3.8
564.60272	3.6
585.28790	39.3
585.37640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01862	0.7
55.05508	1.1
55.19615	0.3
56.96530	0.4
57.03440	11.9
59.04980	0.6
61.02933	3.5
64.94201	0.3
65.03939	0.3
67.05492	1.1
69.03435	14.0
69.07062	0.4
71.01367	2.1
71.05000	19.6
73.02923	22.6
75.04476	1.2
81.03408	0.5
81.07051	1.0
83.04990	3.2
83.08620	0.3
85.02911	31.0
85.06525	0.4
86.09668	0.3
87.04467	1.3
91.05485	5.2
93.07045	1.0
95.04996	0.5
95.08626	1.0
97.02898	6.7
98.21562	1.1
98.97613	0.5
99.04460	1.0
100.18950	0.4
103.03952	7.2
105.07021	1.0
107.04957	0.5
107.08588	0.9
109.02879	1.0
109.06498	0.5
109.10160	0.8
111.04463	2.4
113.02359	0.8
113.06014	0.7
115.03936	10.2
119.04953	11.3
119.08584	0.6
121.10181	0.5
121.29829	0.4
123.04430	0.5
123.11774	0.5
124.05262	0.4
127.03934	2.7
129.05496	8.0
129.06396	0.6
131.08572	0.3
133.04990	3.3
133.06529	0.7
133.10219	0.8
137.05983	1.1
139.03917	0.8
147.04420	100.0
147.06439	2.8
149.04465	8.1
151.03909	0.5
153.01848	1.3
155.82930	0.4
165.05493	3.8
167.07111	0.8
169.04993	0.8
175.06160	0.7
225.07626	1.2
243.08554	0.5
246.56584	0.4
270.27454	0.4
273.14960	0.6
279.08643	0.4
288.87439	0.3
291.08685	3.5
309.09717	11.0
317.41653	0.4
321.24490	0.4
342.63797	0.3
425.14783	0.4
569.27350	0.4
587.27020	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51600	0.4
55.01880	0.7
55.05503	0.8
57.03442	9.0
59.05012	0.6
59.29141	0.4
61.02924	2.4
63.36019	0.4
65.03953	0.8
67.05518	0.5
69.03432	12.4
69.07054	0.8
71.01354	1.2
71.05000	23.9
71.19678	0.7
73.02504	0.8
73.02921	16.5
75.04474	1.2
79.05484	0.8
81.03404	0.8
81.07050	1.7
83.04986	3.2
85.02911	35.0
87.04455	1.4
91.05495	5.2
93.07056	1.2
95.05018	0.5
95.08608	0.9
97.02895	5.1
98.97568	0.4
99.04443	0.8
103.03956	4.0
105.07017	1.1
107.08604	1.1
109.02837	0.4
109.10151	1.2
111.04438	1.5
113.06031	0.7
115.03933	6.9
115.04693	0.3
117.90432	0.4
119.04947	13.3
119.08624	0.5
121.02859	0.5
121.06461	0.5
121.10161	1.0
123.04443	0.8
127.03921	2.8
129.05496	8.3
133.04993	2.4
135.11688	1.0
137.06009	0.6
139.03896	1.0
147.04417	100.0
148.04849	0.6
149.04469	4.5
165.05501	4.1
169.04948	1.3
225.07590	1.2
231.06519	0.5
243.08653	0.8
273.14923	0.4
279.08560	0.7
291.08688	3.5
309.09683	11.6
586.40521	2.0
586.90381	2.4
587.29779	3.0
587.39661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05501	1.1
57.03153	0.5
57.03439	9.4
61.02931	2.5
65.03916	0.6
67.05507	1.0
69.03082	0.8
69.03432	10.0
70.66270	0.7
71.01343	1.7
71.04996	22.5
73.02925	17.5
73.03353	0.5
75.04482	1.5
79.05508	0.4
81.03415	0.7
81.07056	1.0
83.04989	2.6
85.02911	32.0
85.06559	0.4
87.04472	2.0
91.05486	4.8
93.07036	1.4
95.04964	0.8
95.08591	1.0
97.02896	5.1
97.06528	0.4
98.97551	0.5
99.04436	0.8
103.03953	3.3
105.07040	0.9
107.08575	1.3
109.10166	0.7
111.04459	1.8
113.06017	0.4
115.03933	6.8
119.04100	0.7
119.04951	11.9
119.08559	0.7
121.06504	0.4
121.10161	0.6
121.44346	0.4
123.04453	0.5
123.08080	0.4
127.03926	2.7
129.05490	8.2
132.89330	0.4
133.04964	2.1
133.10162	0.6
135.11659	0.5
137.05991	0.8
137.09590	0.5
139.03912	0.9
139.11143	0.4
147.04417	100.0
148.04752	0.4
149.04448	4.9
151.03880	0.6
165.05473	3.5
167.06996	0.4
169.04987	0.6
171.06525	0.4
183.06644	0.4
187.07558	0.5
223.84277	0.4
225.07648	0.9
243.08759	0.4
261.07733	0.4
273.14832	0.5
279.08578	0.6
291.08685	3.9
293.10202	0.9
309.09689	11.2
534.03125	0.4
577.89783	0.5
586.40479	1.4
586.90356	1.8
587.29523	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87916	0.4
55.01875	0.8
56.85823	0.5
57.03433	0.7
69.03446	1.2
71.04993	0.6
71.22827	1.3
73.02920	1.0
79.05521	3.6
81.03431	0.7
81.07057	0.8
84.32172	0.5
85.02907	3.6
91.05483	4.8
93.07027	0.6
95.04977	0.8
95.08590	0.8
97.02887	0.8
97.62549	0.5
98.97583	0.9
103.05476	4.9
104.06269	0.6
105.07040	19.5
107.04930	1.8
107.08600	1.7
108.05769	0.8
109.06524	1.3
113.97967	0.6
115.05449	1.2
118.04180	4.8
119.04979	4.7
119.08566	0.9
121.06503	2.3
122.03646	0.6
122.07298	0.6
123.04410	1.0
123.08070	2.1
124.05227	1.3
125.05996	0.9
127.03951	0.7
131.04942	7.3
133.02869	4.7
133.06505	17.4
134.07332	1.0
135.04420	1.2
135.08058	3.4
137.05991	8.5
144.12045	0.6
145.04912	0.6
146.03693	1.1
147.04427	3.3
148.05168	0.8
149.06021	3.2
150.06776	11.9
151.07558	4.0
152.08412	0.6
161.06004	2.6
163.07556	11.4
165.05504	1.6
165.09122	12.1
167.07071	7.9
175.07663	0.7
177.05508	0.7
178.06316	1.2
179.07069	4.7
181.08629	0.8
191.07106	1.4
193.08633	51.7
195.10231	1.3
197.11761	0.8
211.09677	100.0
213.11201	1.5
236.98122	0.6
341.13998	1.2
361.16830	2.9
394.37979	0.6
408.33557	0.7
417.72174	0.5
426.34415	1.9
588.23584	5.1
588.39667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
56.96532	1.2
57.03439	1.8
58.03958	0.9
61.02938	1.2
65.03928	1.3
67.05515	1.4
69.03416	2.4
70.78348	1.8
72.08159	1.1
73.02912	3.3
75.39974	1.0
78.04697	1.6
79.05478	2.9
81.07118	1.0
82.19434	0.9
85.02904	4.1
91.05487	10.5
93.03398	2.2
93.07027	3.8
95.04971	1.8
95.08535	1.0
98.97592	1.6
103.05466	7.6
105.07053	6.1
106.03570	0.9
106.04168	5.6
107.04962	15.4
109.02843	1.3
109.06514	1.2
109.10223	0.8
115.05456	1.7
115.82767	1.0
117.07042	1.2
118.04147	2.0
119.04964	3.9
121.06507	9.7
123.04404	2.1
124.05279	1.3
125.05983	2.6
127.03937	1.6
128.06195	1.3
129.07018	6.4
131.04916	6.3
131.08551	1.5
132.05736	2.3
133.06488	3.7
134.03667	2.1
135.04381	1.0
135.08057	3.8
137.05984	8.1
139.07550	0.9
145.02753	1.0
146.07256	3.2
147.07942	1.0
148.04155	0.9
148.05132	5.7
149.05997	11.9
151.03908	1.1
151.07553	4.8
153.01825	2.6
153.05481	3.0
153.09056	1.8
157.06514	2.3
160.05170	1.8
161.05988	92.6
161.09624	22.1
163.03824	1.5
163.07565	16.8
165.05463	2.0
165.09143	1.0
167.07039	29.2
174.06721	3.9
175.07565	7.8
177.05493	7.6
177.09073	3.4
179.07079	2.9
179.10616	0.9
180.07779	2.9
181.08594	18.8
182.91365	0.9
189.09106	55.2
191.07027	12.2
191.08591	1.3
192.07843	4.6
193.08661	3.7
197.09647	1.7
201.09152	1.3
202.08978	2.5
207.10167	100.0
209.08096	18.3
219.08258	1.0
219.10124	4.3
225.09113	1.9
283.09570	1.3
285.11176	1.9
303.04840	1.9
315.12268	2.5
317.13800	4.8
329.13992	1.6
331.15463	1.0
341.13742	3.9
343.15411	9.0
355.15164	1.3
361.16446	37.7
371.64026	1.0
373.16602	5.9
377.01782	1.8
393.12646	1.0
588.23035	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	588.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00329	0.4
50.13258	0.3
55.01876	0.9
57.03432	0.5
65.03960	0.4
67.05505	0.6
69.03430	0.8
71.05005	0.5
71.53481	0.5
73.02911	0.4
76.53581	0.4
79.05515	3.0
81.03412	0.8
81.07105	0.4
85.02920	1.4
91.05486	3.8
93.07016	0.5
95.05003	0.9
97.02873	0.5
102.37266	0.4
103.05479	3.7
105.07043	13.1
107.04958	1.2
107.08612	0.8
109.02878	0.6
109.06527	1.1
115.05464	0.8
117.06982	0.5
118.04185	3.5
118.63209	0.4
119.04973	4.1
120.05749	0.7
121.06514	1.0
122.07309	0.5
123.04443	0.7
123.08097	1.4
124.05226	1.4
127.03921	0.8
131.04958	3.2
132.05762	0.7
133.02901	1.3
133.06516	13.0
134.07271	0.7
135.04427	1.6
135.08098	2.5
136.05219	0.6
137.06004	6.7
146.03607	0.6
147.04457	3.6
147.08070	0.5
149.06006	2.1
150.06789	7.6
151.07567	3.8
152.08362	0.8
153.01854	0.9
161.05975	1.9
162.06781	0.5
163.07597	3.8
165.09140	10.2
167.07056	6.9
170.92372	0.3
178.06317	1.2
179.07040	4.7
181.08592	0.4
186.65161	0.4
193.08638	45.2
211.09688	100.0
212.09917	0.4
219.01796	0.5
220.41998	0.4
303.05072	0.5
341.13995	2.1
373.16696	1.0
377.01746	0.5
523.63257	0.5
588.22980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	1.4
57.03436	1.1
69.03417	1.1
69.29286	5.2
69.29697	1.1
70.06595	3.1
73.02924	0.9
78.04736	0.8
79.05489	4.0
81.03419	1.7
81.07076	1.3
85.02905	2.8
91.05481	4.1
93.07063	0.7
95.05014	0.8
95.08613	0.9
97.02888	1.2
103.05471	3.6
105.07036	15.2
107.04919	3.4
107.08578	0.9
109.02878	1.2
109.06565	0.9
112.07609	2.2
115.05440	1.2
118.04179	3.7
119.04951	3.2
120.05746	0.8
121.06498	1.7
123.04443	2.3
123.08072	1.4
124.05204	1.9
124.07603	0.8
127.03895	1.1
131.04930	2.8
133.06494	13.9
135.04449	1.4
135.08104	3.3
137.05984	6.4
140.07068	1.4
146.03624	0.8
147.04410	4.6
149.05969	3.3
150.06787	9.2
151.03888	1.3
151.07524	3.7
152.04715	1.4
153.05470	0.9
161.05983	2.4
163.07600	3.8
165.09116	9.3
167.07043	96.8
177.05472	0.8
178.06218	1.0
179.06993	4.3
180.54214	0.9
193.08612	43.0
200.88332	0.7
202.10733	1.0
203.51953	0.6
211.09654	100.0
258.31921	0.7
264.14236	0.9
292.61078	0.7
303.04926	0.7
341.13885	1.0
364.15948	1.2
426.34698	0.9
443.45102	0.9
583.36090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28833	2.1
52.90205	2.2
55.01876	2.7
55.05519	17.4
57.03442	12.1
57.06826	3.3
57.07082	42.9
65.19994	2.4
67.05511	41.1
69.07075	19.8
71.04991	3.5
71.08631	33.6
71.46284	3.1
72.71478	2.6
79.05488	29.3
79.56218	2.0
81.03443	2.4
81.07057	52.6
83.08611	14.4
85.06534	2.8
85.10175	14.8
91.05490	40.7
93.07045	38.9
95.04979	5.7
95.08616	37.3
96.42845	2.3
97.10153	6.6
99.08095	4.1
103.55537	2.6
105.07039	50.1
107.08582	24.2
109.10173	18.0
117.07027	11.2
119.07796	3.7
119.08593	43.8
121.10133	17.4
123.11699	6.4
129.07016	9.4
131.08578	16.2
133.10143	43.8
135.11707	15.4
143.08577	7.6
145.10121	20.4
146.10643	2.2
147.11702	36.4
149.13237	8.8
157.10158	7.3
159.11697	17.1
161.13268	36.1
163.11255	3.2
171.11684	11.7
173.13275	9.9
175.14807	17.4
179.14311	3.4
185.13261	8.4
187.14890	4.5
199.14816	7.1
213.16350	3.0
217.19557	3.3
231.21066	8.6
239.23674	4.1
241.19522	37.7
243.21361	2.7
259.20596	93.6
277.21588	6.5
313.27371	100.0
315.23315	5.8
333.24283	51.9
369.00327	2.6
571.46985	9.5
589.48615	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01868	1.2
55.05507	6.5
57.03440	11.2
57.07075	25.1
67.05503	12.6
69.03394	1.1
69.07073	5.5
71.04962	1.1
71.08282	1.4
71.08633	17.0
71.25500	2.4
73.10728	0.9
79.05485	8.1
81.03416	51.3
81.07055	12.8
83.04977	3.3
83.08617	16.6
85.10188	11.6
89.06017	1.9
91.05487	9.2
93.07069	4.9
95.04970	14.2
95.08599	14.8
97.02917	1.1
97.10149	4.8
103.07550	1.7
105.07037	7.0
107.04936	3.5
107.08595	2.5
109.06499	1.2
109.10168	6.6
111.08075	4.1
119.08572	7.9
121.06538	1.3
121.10152	2.7
123.08064	1.3
123.11697	2.2
129.06993	5.8
131.08531	5.1
133.06479	1.4
133.10110	2.8
137.09612	1.4
137.13275	1.4
145.10094	1.5
147.08035	2.4
147.11652	4.1
149.09598	3.1
157.10167	6.5
171.11781	1.1
175.11191	6.5
191.07329	1.1
193.12238	16.5
211.13211	1.9
217.22514	1.0
222.29517	0.9
249.14896	1.7
257.24826	1.2
267.15909	100.0
292.74884	1.2
313.27356	91.2
314.27585	1.2
334.24722	1.1
505.38885	67.7
590.48737	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.3
53.03943	0.5
55.01867	1.8
55.05490	0.3
65.03931	1.0
67.01870	0.8
67.05501	0.5
68.99784	2.9
69.03416	0.4
70.95831	0.7
79.05498	0.4
83.04960	0.8
85.02900	0.3
89.03915	0.3
93.03394	1.1
95.04963	0.8
97.02882	0.7
107.04953	0.9
109.02876	0.8
111.04445	3.6
115.05447	0.4
119.04977	0.3
121.02882	0.6
123.04430	12.2
125.02328	0.5
127.03955	0.5
131.04922	0.6
133.06494	0.5
135.04414	7.9
137.02342	0.8
139.03905	100.0
141.01878	0.4
141.06979	0.4
145.06512	0.9
147.04437	1.1
149.06061	0.4
151.03891	4.1
152.06204	0.3
153.01865	0.4
153.07024	1.5
157.06462	0.5
159.04474	1.2
161.02403	0.3
161.05988	1.2
163.03912	9.4
165.05583	0.4
167.03471	0.5
167.04855	0.5
169.06511	0.6
171.04387	0.5
173.06042	0.9
175.03883	0.8
177.05550	0.6
179.03401	8.4
181.05077	0.4
181.06528	1.8
185.06010	1.4
187.03915	2.7
189.05469	4.0
191.03438	1.1
193.04994	0.7
197.05957	1.1
199.03911	0.3
199.07571	0.7
201.05418	1.9
203.03406	3.0
203.06963	0.4
209.06000	1.1
213.05508	2.4
214.06041	0.3
215.03410	1.5
215.07079	0.9
217.04987	3.6
225.05475	0.4
227.07062	1.3
229.04961	2.4
231.06499	0.4
237.05490	1.1
241.04987	2.0
245.04486	7.9
253.04871	0.5
255.06552	4.5
257.04468	2.9
259.06006	5.7
263.05521	0.8
265.04953	0.8
269.04483	4.0
270.05289	0.4
271.06036	4.6
272.98984	0.3
273.07535	1.3
281.04495	0.8
283.06012	19.7
285.95807	0.3
287.05505	13.1
289.07135	0.5
291.08511	0.4
299.05502	7.2
301.07077	13.1
303.01257	0.6
303.08847	0.3
311.05560	2.3
411.10818	1.9
421.09198	13.8
433.09326	1.1
439.10257	8.0
446.95380	0.4
451.10056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.05313	1.2
55.05513	12.7
57.03434	9.9
57.07079	35.5
65.03928	1.5
67.05508	51.5
68.42580	1.2
69.07069	13.0
69.32068	4.3
69.32493	5.5
71.08292	1.9
71.08636	26.6
78.90088	1.1
79.05495	30.0
79.60125	1.2
81.07059	59.2
83.08621	13.7
85.06532	1.5
85.10181	11.7
89.05985	2.0
91.05484	14.6
93.07050	37.9
95.04980	2.1
95.08612	57.4
97.06502	2.0
97.10164	4.5
103.07571	1.4
105.04472	1.3
105.06396	1.4
105.07038	14.5
107.08596	27.6
109.09474	1.7
109.10168	23.1
110.96389	1.1
116.16293	1.1
117.07034	7.0
119.08590	10.4
121.10162	18.2
123.11715	11.7
123.66866	1.2
131.08571	13.1
133.10133	10.5
135.11702	14.9
137.13249	5.0
139.11194	1.5
145.10143	8.6
147.11688	5.9
149.13251	11.7
159.11705	8.9
161.13242	6.3
163.14850	6.2
173.13248	10.0
175.14819	2.9
177.12738	1.3
177.16338	1.6
187.14796	3.6
233.22647	2.8
239.23654	6.0
243.21091	13.9
257.24915	1.6
261.22153	60.7
277.21548	1.7
279.23270	2.6
313.27383	100.0
314.27780	1.4
317.24655	11.9
335.25812	73.8
354.87527	1.3
364.29791	1.2
573.48724	27.3
591.49860	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	593.166
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
51.02384	0.6
53.03959	1.1
55.01873	3.0
55.05507	0.9
59.04997	0.6
61.12473	0.4
63.63363	0.4
65.03941	1.0
67.05500	2.4
68.99801	1.3
69.03436	1.8
69.07083	1.0
69.72341	0.4
70.07782	1.2
77.03932	0.6
79.05490	2.2
81.03423	2.5
81.07064	1.8
83.01347	0.5
83.04989	2.8
83.08628	0.4
85.02906	2.5
85.75649	0.4
91.05485	1.8
93.03415	0.7
93.07037	0.4
95.04978	4.5
95.08612	0.8
97.02892	2.0
97.06516	0.7
99.04496	0.4
101.06017	0.6
101.73586	0.4
105.03404	1.5
105.07058	0.7
107.04963	3.1
107.08569	0.9
108.09531	0.4
109.02888	4.5
109.06521	0.4
109.10164	0.5
111.04453	1.7
115.05443	0.5
119.04948	2.8
119.08625	0.5
121.02848	0.9
123.04436	65.1
123.44943	0.4
124.12030	0.5
127.03915	1.8
129.07018	0.5
133.10158	0.9
135.04430	4.7
137.02368	0.6
137.05975	2.7
139.03909	95.2
141.07019	0.8
143.04936	0.8
145.04933	0.8
147.04413	13.9
149.06006	0.6
151.03911	100.0
153.05493	1.9
159.11597	0.4
161.06013	3.6
163.03928	10.0
163.07518	0.7
165.05481	9.2
167.07005	2.5
169.05070	2.2
169.06345	0.7
173.06000	1.3
175.03925	0.9
175.07515	0.9
177.05515	0.9
179.07033	1.6
181.04950	2.4
183.07985	0.6
187.07567	0.8
189.05428	1.8
193.04984	6.4
193.06673	0.6
195.06532	1.4
197.06018	0.9
207.06514	3.9
211.07512	1.0
215.06999	1.6
217.08662	0.9
231.06505	0.7
239.07072	0.7
243.06610	0.9
271.06088	0.6
273.07455	2.4
285.07535	4.4
289.07077	34.9
291.08664	23.8
291.11118	0.4
291.12048	0.7
301.07092	20.8
303.08643	49.8
304.08902	0.5
331.15338	0.6
358.13242	0.5
413.15939	0.7
421.16330	0.6
423.10693	4.4
431.17130	0.6
441.11819	42.0
453.11609	2.4
501.57153	0.5
593.23645	0.5
593.32623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56115	0.3
57.03435	0.3
63.23386	0.4
69.03410	0.3
69.30555	3.0
71.04996	0.4
73.02911	0.5
85.02901	0.5
91.05486	0.8
93.06985	0.4
95.01089	1.1
95.04946	0.4
98.97639	0.4
103.05437	0.5
105.07058	0.4
107.04966	1.5
110.06051	0.9
113.02158	1.0
121.06547	0.4
123.04441	0.6
127.03873	0.6
131.05013	0.4
131.08606	0.4
137.06007	3.8
149.05975	0.7
159.04146	0.5
161.06012	1.3
163.07547	1.6
167.07039	1.3
185.04221	1.3
189.05280	0.8
189.09200	0.7
201.03731	0.8
203.05313	5.8
204.07590	3.4
217.04742	0.8
220.39667	0.3
232.07098	5.9
233.07912	1.0
267.34512	0.3
303.05069	0.4
311.16125	0.9
341.13794	0.4
383.14764	5.5
413.15799	1.1
431.16907	0.5
593.22089	100.0
594.22314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67609	0.4
53.68645	0.3
57.03448	0.6
69.03431	0.6
71.53243	0.4
73.02929	0.7
85.02901	0.4
91.05473	0.6
93.07032	0.4
95.01103	0.6
96.01843	0.4
97.02917	0.6
98.97591	0.5
103.05513	0.6
107.04952	2.0
110.06062	1.1
113.02165	0.7
115.05450	0.4
121.06552	0.6
123.04493	0.5
131.04918	0.5
135.08035	0.4
137.05986	3.7
139.03917	0.5
140.07137	0.6
147.04427	0.5
161.06049	1.5
163.07541	1.9
167.03204	0.5
167.07005	1.6
177.05513	0.5
181.08592	0.4
185.04239	1.9
189.09059	0.8
191.07069	0.4
193.15926	0.3
201.03703	0.6
203.05292	5.3
203.07063	0.5
204.07637	4.0
205.08475	0.4
217.04913	0.4
219.01889	0.4
232.07079	5.4
233.07861	0.9
303.05093	0.8
311.16153	1.0
349.70502	0.3
377.01874	0.4
383.14713	5.4
413.15848	1.1
431.16806	0.5
593.22089	100.0
594.22516	0.8
624.97150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20307	0.3
66.00845	0.3
68.44284	0.3
69.45924	2.1
77.03893	0.3
79.05483	0.3
83.01128	0.6
85.02915	0.7
91.05508	0.4
92.73844	0.3
95.01090	1.1
96.01862	0.3
97.21854	0.3
98.44823	0.3
105.07057	1.0
112.01314	0.7
113.02133	1.8
122.03603	0.5
123.04459	0.8
133.06558	0.6
137.06004	3.3
139.03893	0.8
147.04410	0.8
165.05467	0.3
165.09142	0.3
167.03212	0.5
167.07109	0.8
185.04243	2.8
187.60037	0.3
189.05315	0.7
193.08604	1.8
201.03738	0.9
202.06082	0.5
203.05272	6.5
203.07071	0.4
211.09711	0.8
219.06306	2.1
229.68343	0.3
234.08636	12.3
235.09496	1.0
303.05032	0.8
325.05634	0.3
381.11914	0.5
383.14627	2.3
399.14386	0.4
413.16187	0.3
439.52493	0.3
552.48615	0.3
593.22052	100.0
594.22388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Scortechinone F
Peak:m/z	Relative Intensity
50.24655	1.4
52.80558	1.3
53.03935	4.6
55.01862	2.9
55.05514	18.3
57.03438	12.3
57.07060	1.4
58.23758	1.4
65.03924	2.6
67.05508	35.2
69.03426	5.2
69.07066	8.9
71.04984	6.9
79.05496	36.4
81.03419	68.9
81.07060	42.6
83.04982	17.1
83.08139	2.2
83.08616	22.7
85.02435	2.3
85.02908	30.6
85.06529	2.2
91.05481	48.2
93.07050	29.4
95.04972	30.5
95.08620	19.7
97.02889	5.1
97.06532	5.7
97.10149	4.2
98.97546	1.3
98.98476	7.6
99.04484	2.0
99.08105	1.5
105.04533	2.1
105.07036	32.9
107.04966	9.2
107.08599	14.8
109.06526	8.2
109.10155	7.6
111.04441	3.1
111.08085	8.9
113.06005	2.0
115.05439	4.8
117.07002	2.7
118.04690	1.3
119.08580	27.5
121.06540	3.3
121.10162	13.1
123.04403	1.5
123.08052	5.5
123.11696	5.0
125.09615	2.3
127.03939	1.5
128.06215	1.6
129.07016	14.8
131.08571	17.1
133.06497	4.4
133.10149	15.5
135.06386	1.3
135.08041	5.6
135.11642	3.8
137.05946	2.2
137.09613	3.8
137.13206	1.6
139.03862	3.5
142.07756	5.7
145.10107	5.5
147.08025	4.4
147.11705	19.7
149.09628	7.0
149.13312	1.4
151.03963	1.4
153.05489	2.6
155.01024	3.5
155.08504	1.7
157.10132	16.4
159.11696	1.8
161.09599	2.3
163.07585	2.0
163.11139	2.0
165.12738	2.9
175.11208	13.0
184.07297	1.6
185.08130	4.1
187.11191	1.3
193.10437	2.6
193.12244	57.8
211.13289	60.9
219.13770	2.4
245.05074	3.1
247.13390	2.1
249.14861	1.6
267.15930	15.1
285.17090	8.3
305.07285	1.6
306.54990	1.6
327.06766	1.4
347.12561	6.8
459.27637	9.4
459.99496	1.5
462.17972	1.6
477.22180	2.2
477.28500	32.9
495.29553	100.0
575.33466	1.5
593.29572	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04313	0.2
56.39458	0.2
56.56871	0.2
59.16121	0.2
67.92796	0.2
70.78391	0.3
70.78711	0.2
75.09289	0.2
76.08522	0.2
90.49673	0.2
106.57487	0.2
208.65576	0.2
262.96597	0.2
324.15271	0.2
388.16791	0.4
389.17575	0.9
392.20215	0.2
402.18280	0.7
403.19101	2.4
404.19852	0.7
405.20679	1.1
415.19458	0.5
416.19922	0.7
417.16739	0.5
417.21225	2.8
418.21680	1.6
419.22388	2.9
421.23944	0.2
429.21179	0.3
430.17340	0.4
430.22372	0.4
431.18130	6.5
432.18570	1.6
433.24091	6.1
434.24557	0.9
444.19171	0.4
445.20029	7.9
446.20807	3.7
447.21680	3.6
448.22763	0.3
449.23398	0.5
459.21545	3.0
460.22629	8.6
461.23291	8.4
462.20154	0.5
463.21304	0.5
473.23618	2.3
474.23999	0.6
476.25943	1.3
477.22458	0.4
487.24915	0.8
489.26596	0.5
491.24292	0.7
492.25433	1.0
493.25992	0.3
504.21024	0.3
505.21866	3.7
518.23254	0.5
519.23615	0.4
533.25482	37.5
534.25903	0.7
547.27032	0.4
549.21014	0.2
561.25189	0.3
565.28003	0.7
575.26239	0.4
593.27570	100.0
594.27600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.92570	0.2
54.89182	0.2
69.72948	1.3
82.39263	0.2
85.24297	0.2
89.39603	0.2
105.26528	0.2
116.87347	0.2
389.17520	0.6
402.18655	0.7
403.19110	1.8
404.20044	0.8
405.20941	1.8
416.20181	0.8
417.16733	0.6
417.21286	2.6
418.21893	1.7
419.22403	3.0
430.18088	1.0
431.18271	6.7
432.18542	1.6
432.24121	0.4
433.24258	4.6
434.24997	1.1
444.18552	0.4
445.19958	7.7
446.20950	3.1
447.21741	3.9
459.21536	2.5
460.22635	7.6
461.23245	6.9
473.23941	1.4
476.26230	0.6
477.22281	0.5
487.24838	0.7
489.26572	0.5
491.25146	0.5
492.25186	0.9
505.22061	4.5
515.24390	0.4
519.23853	0.6
521.22345	0.3
533.25519	22.1
534.25964	0.4
561.24963	0.4
564.23615	0.9
565.27960	0.4
578.25287	0.3
593.27576	100.0
594.27991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1452
Annotation	Epimesquitol-(4alpha->O->4beta)-epimesquitol
Peak:m/z	Relative Intensity
51.02370	0.3
53.03949	1.1
55.01898	0.3
55.05506	0.4
57.03436	0.2
62.50046	0.2
65.03934	0.2
67.05511	0.4
68.50081	0.2
68.99805	0.2
69.03428	0.5
69.07093	0.3
69.35342	0.5
69.35756	1.0
76.60474	0.2
77.03954	0.6
78.00082	0.2
79.05495	0.6
81.03419	0.8
81.07068	0.6
83.08638	0.2
85.02921	1.4
85.06587	0.2
91.05499	0.5
93.07053	0.6
95.04956	1.1
95.08607	0.5
97.02887	0.7
97.10178	0.2
99.04464	0.4
102.04638	0.2
103.05476	31.7
105.04552	0.4
105.07037	0.8
107.04980	0.3
107.08601	0.4
109.02908	0.5
109.10152	0.4
111.00808	0.7
111.08057	0.2
119.04905	0.3
119.08610	0.3
121.02876	0.6
121.06509	0.2
121.10174	0.3
123.04417	0.4
123.11749	0.3
127.03920	0.7
131.04939	100.0
132.05261	0.5
133.06494	0.2
133.10106	0.5
137.02325	2.0
137.05977	0.4
145.04924	0.3
147.04413	0.4
147.11598	0.3
149.02310	0.3
149.05984	0.8
149.09674	0.3
151.03870	0.3
153.01837	2.7
158.99603	0.2
159.11678	0.2
161.05907	0.3
161.09596	0.3
163.03926	0.5
165.01851	1.3
165.05547	0.3
167.07069	1.1
173.06056	0.3
179.10744	0.2
181.05063	0.3
183.02956	0.8
183.04407	0.2
195.02916	0.2
201.05495	0.9
209.15401	0.3
229.05029	2.7
233.08051	0.3
247.06027	0.4
257.04477	1.7
264.50568	0.2
274.04889	0.3
275.09116	0.8
285.03928	1.0
287.05569	0.2
293.10211	6.6
303.05017	61.2
304.05490	0.4
345.05841	0.3
411.06979	0.4
416.14960	0.2
509.36319	0.2
595.23071	3.7
595.32251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.07066	0.4
55.05515	0.5
57.03430	0.6
67.05509	1.1
69.03442	2.1
69.07078	0.6
71.04991	0.5
74.37791	0.3
77.03927	0.5
79.05505	1.1
81.03429	5.6
81.07051	1.6
83.08572	0.4
85.02914	2.4
91.05489	1.0
93.07040	1.1
95.04968	1.6
95.08611	0.7
97.02913	3.8
98.20744	0.9
99.04455	0.9
103.05478	32.1
105.04533	0.5
105.07038	1.1
107.04954	0.4
107.08581	0.9
109.02896	2.7
109.06541	0.3
109.10168	1.0
111.00779	0.4
117.07068	0.4
119.08585	1.0
121.02867	0.9
121.10167	0.6
123.04463	0.5
123.11745	0.4
125.09638	0.4
127.03905	2.0
131.04944	100.0
132.05252	0.6
133.10135	0.9
135.04387	0.4
135.08107	0.6
137.02347	1.8
137.06017	0.8
145.04971	0.7
147.04448	1.3
149.06001	8.5
149.07140	0.7
149.13203	0.4
153.01819	1.9
157.10072	0.5
161.09622	0.4
163.04010	0.5
165.01875	0.7
167.07053	1.3
173.05934	0.4
175.07573	0.5
177.05411	0.4
181.05013	0.7
181.45766	0.3
183.02892	0.4
201.05664	0.4
227.13649	0.4
229.05003	1.9
237.02786	0.4
238.59763	0.4
257.04565	1.2
274.04568	0.4
275.09174	6.7
287.05692	0.8
293.10318	2.5
303.05032	39.2
521.31848	0.4
557.88647	0.5
595.33820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.08216	0.1
53.03936	0.4
53.62280	0.1
57.03441	1.7
61.02920	0.6
68.99799	0.3
69.03437	1.2
69.97971	0.5
71.01345	0.2
71.05000	9.7
73.02906	0.3
75.04479	0.5
81.03405	0.5
83.04969	0.4
85.02911	13.5
87.04465	0.4
91.03947	0.2
97.02901	1.4
99.04446	0.3
100.16972	0.2
105.03407	0.2
107.04958	0.2
109.02857	0.4
111.00807	0.5
111.04422	0.3
121.02869	1.7
127.03912	0.8
129.05479	2.7
133.02855	0.5
133.85411	0.1
137.02359	0.4
145.04996	0.7
145.06485	0.2
147.04417	0.4
147.06540	0.9
153.01837	2.4
157.06454	0.4
163.42647	0.1
165.01837	1.3
183.02898	0.6
185.05991	0.3
213.05458	0.8
231.06500	0.5
241.05042	0.6
258.05344	0.9
259.06128	0.4
287.05515	100.0
288.05792	0.5
299.05804	0.2
303.04849	0.2
329.06641	0.2
393.79630	0.2
449.10803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
53.03938	0.8
55.01868	0.7
57.03411	1.4
57.21687	0.5
61.02912	1.7
68.99816	0.5
69.03429	5.1
69.18730	3.9
69.19140	0.9
71.04990	0.6
73.02911	1.0
80.56961	0.6
81.03417	3.6
81.32446	0.5
85.02436	0.8
85.02911	11.5
87.04480	0.6
91.05505	0.5
91.45119	0.5
97.02906	4.0
99.04426	0.7
107.04964	1.1
109.02876	1.8
119.04967	2.4
121.02885	6.5
127.03930	2.0
133.02879	0.6
141.01813	0.7
145.02870	2.4
145.04910	0.7
149.02318	1.4
163.03908	3.0
163.07608	1.2
165.01843	9.4
167.03404	2.8
167.07062	2.2
177.01868	1.4
181.04924	0.8
183.02867	1.9
187.03960	1.4
189.01883	0.8
191.03395	1.2
195.02907	2.2
205.04964	0.8
213.11194	1.3
215.03397	1.1
229.04855	1.4
239.07068	1.5
243.02998	1.0
255.06375	0.7
256.07306	0.9
261.03784	0.6
267.06549	9.8
268.07172	0.6
270.05206	3.4
271.06042	8.8
279.06522	1.0
281.08063	7.0
283.06030	91.5
284.06802	11.4
287.05542	16.5
287.14871	2.0
295.06085	13.6
295.09631	2.0
297.07501	2.8
305.08279	2.7
307.06097	1.2
308.06866	1.8
309.04132	1.2
309.07571	22.3
311.05624	1.2
313.07074	100.0
314.07626	0.7
321.07550	2.2
323.05469	1.1
323.09131	14.0
333.07535	3.9
335.05594	0.6
337.07071	41.0
338.07394	0.7
349.07144	9.8
351.08469	2.8
361.07083	8.4
367.08139	27.3
379.08163	17.4
397.09213	20.5
415.10251	35.6
433.11353	54.5
475.12436	0.7
595.23792	3.6
613.48895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
51.29864	2.1
57.03441	2.5
61.02932	2.6
69.03429	3.0
70.06589	4.2
70.06994	7.2
70.21648	2.4
74.09719	3.0
85.02900	8.3
97.02855	3.0
98.20773	3.0
109.02884	2.2
115.23792	2.4
119.04960	8.8
121.02869	32.9
127.21040	2.5
127.23057	2.6
145.02855	4.4
160.05078	3.8
163.03934	3.2
175.04007	2.9
177.01842	3.9
179.03448	2.7
187.03954	2.7
189.01848	10.6
191.03343	7.0
192.07718	5.6
195.02921	5.8
203.03429	8.7
205.05090	2.2
207.02893	6.6
215.03384	3.7
219.02878	3.8
229.04971	3.7
257.04498	3.0
267.06314	2.7
268.07211	3.4
272.60553	2.4
279.06436	5.1
281.08118	7.3
283.05957	8.0
284.06815	3.2
294.05283	18.5
295.06012	73.7
295.09357	4.0
296.06775	7.2
297.07538	9.8
305.08182	3.2
307.06027	50.7
308.06909	14.5
309.07523	16.6
313.07065	8.0
319.06155	5.5
320.06894	3.6
321.07544	26.3
322.08313	10.5
325.07077	96.6
333.07590	8.3
335.09006	14.0
336.06219	4.0
337.07071	48.4
337.10724	2.6
345.07224	3.7
347.09146	13.7
349.07086	30.9
351.08722	20.8
355.08185	16.9
357.07361	3.6
361.07150	17.6
363.08554	5.2
365.10083	14.2
367.08258	4.9
373.06931	5.8
375.08667	8.2
379.08142	53.0
385.06934	5.2
389.10498	4.4
391.08072	27.2
401.10223	3.0
403.08145	18.2
409.09204	45.7
415.09338	3.0
421.09103	21.5
427.10208	33.5
433.10846	3.2
439.10245	30.8
445.10950	4.9
457.11307	100.0
463.10080	4.2
475.12482	22.2
481.11389	27.5
487.10165	3.9
493.11099	4.8
499.12573	20.8
505.11322	6.3
511.12366	24.5
523.12463	26.4
529.13232	10.8
541.13483	27.5
559.14423	33.3
577.15533	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	596.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70528	1.0
55.01874	16.2
58.43783	1.1
60.53289	1.2
69.81164	1.3
70.70453	3.5
72.67776	1.2
74.00662	2.1
74.12411	1.1
74.69566	1.2
76.03992	2.9
83.06111	9.8
84.04510	28.7
95.04950	1.6
99.02660	2.8
103.04459	1.1
112.03967	21.2
121.57490	1.3
127.02143	15.4
129.06599	14.2
130.05006	81.6
135.02623	8.8
139.03911	63.7
139.16011	1.4
140.92833	1.3
148.00342	1.2
151.02115	2.0
151.03842	3.4
153.06537	2.9
153.46722	1.3
155.00447	2.0
155.01624	28.1
163.02141	12.9
163.03894	19.9
167.01572	1.3
175.02090	2.2
178.03236	2.7
179.01624	20.1
181.03247	5.9
181.06102	1.7
183.01115	50.9
189.00038	3.2
191.01651	12.8
196.04251	3.6
203.01563	7.7
207.01178	3.3
208.04268	4.4
209.02669	18.1
226.05292	5.0
237.02109	1.4
241.05052	1.9
242.05774	3.3
251.85655	1.2
261.93100	1.2
270.05334	4.2
275.03659	3.2
281.05890	3.5
282.04321	11.6
292.06244	1.8
299.06906	2.4
303.03250	18.4
312.05353	10.3
329.08047	100.0
346.07248	2.4
347.05713	2.3
357.04013	1.5
383.09122	10.7
432.07278	3.9
449.10077	8.2
458.12338	70.6
467.11240	5.8
503.11041	3.3
503.52640	1.2
521.12323	15.0
596.15363	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	596.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19892	1.1
55.01876	8.4
56.05035	1.7
65.03942	1.4
66.25274	1.3
66.30970	1.1
68.99793	2.2
69.20597	7.2
69.21022	3.2
70.02949	3.5
74.00671	2.7
74.02453	1.9
76.02233	1.3
76.04007	1.7
83.06113	9.2
84.04508	23.1
88.04008	1.5
91.05512	1.2
93.03415	1.0
95.61713	0.9
99.05563	2.8
99.68348	1.0
102.57634	1.1
107.04986	1.2
107.06067	1.8
109.06550	1.4
109.07649	4.2
111.04465	3.8
112.03983	13.3
116.01680	3.2
119.04938	1.9
121.01094	1.9
123.04436	3.2
127.02090	2.0
127.05058	1.5
129.06612	20.7
130.05020	41.8
135.02652	2.1
136.02184	2.2
136.03931	1.4
137.00571	1.1
139.03917	75.0
141.00101	1.8
145.06105	15.3
147.02676	1.0
147.04442	6.2
148.05186	9.4
149.00566	8.7
149.04756	1.8
150.03073	1.3
151.02135	2.2
153.00104	1.3
153.03722	4.8
153.06625	6.1
155.01627	29.5
155.08177	5.8
162.02245	1.1
162.03796	3.5
162.05501	7.1
163.02158	11.7
163.03926	26.1
163.06084	1.3
164.01675	1.8
165.00063	4.4
167.01617	7.1
175.06349	7.1
177.03322	1.0
179.00073	1.1
179.01630	20.3
181.03217	23.0
181.06168	1.9
182.02724	6.4
183.01129	4.5
184.04254	3.8
190.03276	3.6
191.01590	2.9
193.03242	1.3
194.02792	1.4
195.01102	1.8
196.04288	9.2
199.02159	1.1
199.07161	7.3
203.01669	1.9
207.01172	2.5
208.04282	32.3
209.02721	8.0
219.01195	2.3
220.04370	2.1
226.05365	4.8
229.03281	2.5
236.03777	2.2
245.02744	1.9
257.02744	10.1
265.06470	1.8
270.05307	9.2
282.04340	5.1
285.02194	6.3
286.17438	1.0
287.06879	5.1
288.00806	2.6
296.06805	1.6
299.06992	29.8
303.03244	100.0
311.06973	91.6
312.05389	3.9
329.04742	4.6
329.08099	26.5
346.07529	4.0
347.05728	1.3
353.07858	2.3
364.08450	2.2
365.07974	1.7
383.09174	18.1
398.33777	1.0
440.11517	1.9
449.10165	35.4
458.12344	53.6
467.11188	4.4
476.60583	1.2
503.11221	18.0
508.89740	1.2
521.12256	18.4
578.14008	4.6
596.15704	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06839	1.1
52.52423	1.1
54.34480	1.1
55.01868	1.2
55.86768	1.1
56.96569	1.5
57.03430	1.4
67.05543	1.0
69.03429	2.6
71.04987	1.3
71.33189	1.6
79.05482	4.8
81.03469	1.1
85.02891	4.4
85.03368	1.2
87.40220	1.2
91.05468	2.1
97.02869	3.1
98.97552	1.9
105.07031	1.6
107.04955	12.6
115.05461	2.6
117.07021	4.9
119.04931	2.1
121.02875	1.5
123.04433	4.3
127.03872	2.2
129.07007	2.5
131.08562	2.7
133.10132	1.4
135.04408	2.7
137.06020	1.4
139.03879	3.2
141.07048	2.4
144.05673	2.8
145.06496	13.6
151.03865	2.4
151.87685	1.0
153.01837	1.7
153.56612	1.6
155.06050	1.4
156.05716	5.4
157.06496	2.4
158.07230	2.7
159.08047	5.4
160.05060	16.4
161.05971	1.5
163.03899	2.8
167.07050	43.5
169.06398	2.0
173.05986	21.7
179.00148	1.6
179.06903	1.4
181.05005	1.8
181.06561	1.3
186.06682	1.8
187.07561	5.8
190.06290	5.5
190.07788	1.5
192.07700	15.4
201.09196	1.5
202.06219	4.6
203.07036	3.2
205.08606	33.1
207.06389	2.6
207.10039	1.6
208.05255	1.5
217.08592	32.0
218.07187	2.1
219.08160	6.5
219.09984	2.0
220.08885	2.0
221.06015	1.6
222.08128	1.2
226.03418	1.3
229.08577	3.4
231.07973	3.7
231.10158	1.5
233.09604	2.6
235.09537	11.7
236.04715	2.3
236.08388	3.3
237.09212	1.8
245.09595	2.5
246.06856	1.9
247.07553	9.2
247.09712	3.8
248.08363	7.4
249.09032	2.3
251.10719	1.4
254.05791	2.2
259.07516	3.3
261.09076	4.1
262.10007	1.6
263.07077	2.6
263.10675	5.6
264.07819	5.2
265.08453	2.3
265.10803	25.2
266.09341	1.6
269.08087	7.4
271.09625	2.5
273.09348	1.9
275.07047	3.5
276.07910	5.5
277.08664	5.0
278.09277	2.1
279.10217	9.9
282.08823	4.8
290.09326	3.6
291.10196	10.9
292.07285	2.8
292.10965	1.5
293.07953	7.3
295.09467	1.2
296.10471	1.8
299.09088	2.3
301.07196	1.7
303.04932	9.3
304.05173	11.1
305.08105	2.0
307.09518	7.2
308.10379	3.6
310.08142	1.9
311.09018	1.2
311.12704	2.4
315.08609	27.9
318.08887	1.6
319.09644	5.3
321.07700	2.4
321.11176	1.7
322.08365	2.1
322.11920	2.2
323.12668	8.2
324.09872	2.8
325.10434	1.8
328.09521	1.7
330.10968	44.5
331.11810	2.9
335.09650	1.3
336.10022	3.8
337.10797	5.9
338.07813	2.1
339.12292	7.4
340.13004	2.2
343.11691	9.9
350.11447	2.1
351.12292	12.9
352.12872	2.9
353.10214	7.0
356.12241	2.4
368.12546	13.3
369.13440	9.3
371.14822	8.9
383.14911	100.0
384.15091	1.8
401.15958	77.2
460.21631	1.4
466.10205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01862	0.9
57.03410	1.0
61.02931	1.3
69.03417	2.2
69.54384	3.7
70.06617	0.6
73.02883	0.6
78.04689	0.6
79.05499	3.9
81.03414	12.7
81.07034	0.8
85.02909	9.8
88.91504	0.6
89.29797	0.7
91.03947	0.8
91.05473	2.2
93.07034	0.6
95.04963	1.9
97.02888	2.6
99.04405	0.7
103.05444	2.4
105.07018	2.2
107.04968	7.6
107.28265	0.5
109.02866	1.3
115.05451	5.4
116.06197	0.7
117.07017	14.0
119.08558	0.7
123.04458	3.0
124.05230	1.4
127.03906	1.4
127.05379	0.6
129.07027	2.9
130.04179	0.7
131.04929	1.8
131.08554	2.7
132.05704	0.6
133.06508	1.3
137.05946	0.8
140.04607	0.8
141.06982	1.8
143.04912	0.6
144.05675	2.1
145.04980	2.1
145.06487	31.7
147.04407	1.2
147.08008	1.1
149.06082	0.7
151.03886	0.8
152.04654	1.1
153.05431	1.7
155.06015	4.6
155.07082	0.8
156.05692	6.4
157.06458	2.2
159.04410	0.7
159.08055	5.2
160.05299	0.9
161.05984	3.2
162.07620	1.8
163.03876	0.9
163.11021	0.6
167.07040	47.3
169.07684	0.7
172.05170	1.0
173.05981	58.0
175.07571	1.4
177.05537	1.1
180.08693	5.2
181.08670	0.7
183.06567	1.3
184.05209	2.0
186.06735	0.6
187.07542	6.6
190.06252	33.3
191.07011	2.4
193.08600	2.8
195.06526	0.7
202.06207	3.2
202.47153	0.6
203.07036	5.5
205.08601	100.0
207.06520	1.3
208.05124	0.7
215.06929	1.7
216.07556	0.7
217.08600	37.7
218.09366	0.8
219.08176	1.5
219.10159	4.5
223.09628	2.1
231.08014	1.1
231.10141	1.3
235.09642	31.4
236.08311	0.8
247.07552	1.4
247.09717	7.2
248.08157	1.1
263.10736	1.3
264.07822	1.1
265.10718	39.3
269.08081	0.9
271.09595	1.3
275.07098	0.8
276.07797	0.9
279.10159	1.8
291.10263	1.8
293.08218	1.2
299.09241	1.2
307.09561	1.3
308.10312	0.9
315.08615	4.1
319.09537	0.9
323.12717	2.4
330.10980	5.8
331.11743	3.3
337.10831	0.9
339.12189	1.1
343.11908	0.9
351.12228	3.3
356.12421	0.7
368.12607	1.4
369.13046	0.8
371.14801	3.3
383.14868	11.4
401.15979	16.6
449.63034	0.8
598.23474	1.6
603.62042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01862	0.9
57.03410	1.0
61.02931	1.3
69.03417	2.2
69.54384	3.7
70.06617	0.6
73.02883	0.6
78.04689	0.6
79.05499	3.9
81.03414	12.7
81.07034	0.8
85.02909	9.8
88.91504	0.6
89.29797	0.7
91.03947	0.8
91.05473	2.2
93.07034	0.6
95.04963	1.9
97.02888	2.6
99.04405	0.7
103.05444	2.4
105.07018	2.2
107.04968	7.6
107.28265	0.5
109.02866	1.3
115.05451	5.4
116.06197	0.7
117.07017	14.0
119.08558	0.7
123.04458	3.0
124.05230	1.4
127.03906	1.4
127.05379	0.6
129.07027	2.9
130.04179	0.7
131.04929	1.8
131.08554	2.7
132.05704	0.6
133.06508	1.3
137.05946	0.8
140.04607	0.8
141.06982	1.8
143.04912	0.6
144.05675	2.1
145.04980	2.1
145.06487	31.7
147.04407	1.2
147.08008	1.1
149.06082	0.7
151.03886	0.8
152.04654	1.1
153.05431	1.7
155.06015	4.6
155.07082	0.8
156.05692	6.4
157.06458	2.2
159.04410	0.7
159.08055	5.2
160.05299	0.9
161.05984	3.2
162.07620	1.8
163.03876	0.9
163.11021	0.6
167.07040	47.3
169.07684	0.7
172.05170	1.0
173.05981	58.0
175.07571	1.4
177.05537	1.1
180.08693	5.2
181.08670	0.7
183.06567	1.3
184.05209	2.0
186.06735	0.6
187.07542	6.6
190.06252	33.3
191.07011	2.4
193.08600	2.8
195.06526	0.7
202.06207	3.2
202.47153	0.6
203.07036	5.5
205.08601	100.0
207.06520	1.3
208.05124	0.7
215.06929	1.7
216.07556	0.7
217.08600	37.7
218.09366	0.8
219.08176	1.5
219.10159	4.5
223.09628	2.1
231.08014	1.1
231.10141	1.3
235.09642	31.4
236.08311	0.8
247.07552	1.4
247.09717	7.2
248.08157	1.1
263.10736	1.3
264.07822	1.1
265.10718	39.3
269.08081	0.9
271.09595	1.3
275.07098	0.8
276.07797	0.9
279.10159	1.8
291.10263	1.8
293.08218	1.2
299.09241	1.2
307.09561	1.3
308.10312	0.9
315.08615	4.1
319.09537	0.9
323.12717	2.4
330.10980	5.8
331.11743	3.3
337.10831	0.9
339.12189	1.1
343.11908	0.9
351.12228	3.3
356.12421	0.7
368.12607	1.4
369.13046	0.8
371.14801	3.3
383.14868	11.4
401.15979	16.6
449.63034	0.8
598.23474	1.6
603.62042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38278	2.3
57.40437	2.4
69.03423	3.4
71.52833	3.7
82.99830	2.9
85.02901	10.2
85.06551	4.2
97.02897	5.9
101.00899	19.6
106.45648	2.8
119.01924	35.2
127.02403	4.2
127.03927	4.0
127.98389	3.0
129.03966	2.8
131.01900	10.6
133.03506	3.1
143.01907	51.3
143.05583	5.8
145.03487	13.8
145.04947	4.7
147.01456	3.5
148.06039	3.4
153.03967	4.5
155.01917	24.3
157.03506	7.9
161.02966	50.4
161.06635	11.1
167.01904	13.1
169.03481	7.3
171.04993	19.5
173.02982	23.8
175.00938	6.1
175.04514	2.7
179.01923	6.7
183.05057	7.3
185.02992	42.6
185.06616	23.1
187.00945	3.3
187.04535	6.1
187.08249	2.7
189.06195	13.9
189.07617	2.5
191.04024	3.6
193.01985	4.1
195.05052	4.3
197.02968	17.0
197.06621	3.3
203.03978	20.8
203.07687	16.8
207.07150	8.5
213.06126	11.3
215.04042	9.3
217.01996	2.8
221.05113	10.6
227.04016	9.6
227.07570	5.2
231.07147	30.6
243.07216	8.3
245.05095	100.0
245.08847	6.2
255.07210	5.2
257.05103	11.8
263.06165	36.4
273.08203	25.9
275.06128	28.1
287.06302	6.9
291.09283	8.4
303.01413	2.6
303.08948	3.4
305.07309	10.8
305.10995	2.5
317.07199	12.3
322.93143	2.6
333.10394	12.3
335.08060	4.6
347.08286	4.4
351.11417	3.6
365.09363	8.9
375.11453	7.0
377.09277	8.0
393.12384	11.2
419.10172	7.5
425.11374	17.0
437.11334	31.1
451.09137	3.6
469.10306	18.0
511.45996	3.0
513.16376	9.4
555.17419	6.3
599.16479	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	599.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01872	18.0
55.05515	28.0
56.83622	2.2
57.03444	16.8
57.07067	10.8
58.68407	2.6
59.05017	3.3
65.03934	4.6
67.05510	100.0
69.03435	33.1
69.07081	13.7
70.13755	5.8
70.14151	5.4
71.01369	4.8
71.04998	5.3
79.05495	31.4
81.03423	67.9
81.07072	36.0
82.89294	2.4
83.04980	23.3
83.08628	12.0
85.02930	12.2
85.06554	5.6
85.25462	2.4
87.04487	4.7
91.05492	37.8
93.07047	24.4
94.78239	2.7
95.04960	17.0
95.08604	14.0
97.02905	33.5
97.06561	6.6
97.10165	12.5
98.20847	3.2
99.04469	7.0
101.02394	2.7
105.07045	17.5
107.04945	8.1
107.08592	16.3
109.02901	6.9
109.06539	5.9
109.10162	66.8
111.04468	10.4
111.08096	4.8
115.03934	3.8
117.07024	4.8
119.08586	18.5
121.06488	3.5
121.10160	12.1
123.04440	5.0
123.08070	2.8
123.11732	3.6
125.09628	15.0
127.03930	6.6
127.11208	4.8
128.06212	2.8
129.06963	3.4
131.08566	9.2
133.10181	13.0
135.08008	4.1
135.11737	4.7
137.09636	5.7
143.03416	6.9
145.10162	9.5
147.08064	2.9
147.11679	7.2
149.09642	4.2
155.10678	6.3
157.10161	8.5
158.30814	2.6
159.11763	5.5
161.09688	3.2
163.11183	6.7
165.09122	3.9
167.10742	2.7
171.06612	3.5
173.04626	2.6
173.11743	19.6
175.11174	4.7
183.06664	5.4
183.11679	2.8
189.11263	7.3
193.12277	10.9
209.11772	5.7
211.13300	6.6
227.12811	10.8
229.14386	8.6
233.15440	4.3
283.15268	3.7
287.55978	2.5
299.14984	5.2
355.17346	5.2
371.17001	3.5
507.34726	4.5
581.29572	4.1
582.30365	3.4
599.30566	33.5
599.40729	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	599.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
53.03948	1.5
55.01873	2.0
55.05518	6.0
57.03426	3.8
57.07077	1.3
64.45952	0.7
65.03947	0.7
66.14984	0.7
67.05167	1.2
67.05508	13.4
69.03427	3.6
69.07068	7.6
71.01354	5.6
71.54385	0.9
73.02921	10.2
75.04475	1.1
79.05503	7.1
81.03416	3.9
81.07058	16.2
83.04975	2.2
83.08614	4.4
85.02429	1.6
85.02908	20.5
91.05477	8.5
93.07044	14.4
95.01324	6.9
95.04968	2.2
95.08608	22.2
97.02914	2.9
97.06542	1.1
97.10173	3.2
98.97594	1.0
99.00817	1.7
99.04467	1.1
101.02369	2.8
103.03921	2.0
105.07036	14.9
107.04977	0.8
107.08595	20.1
109.02849	1.0
109.06530	1.2
109.10156	20.9
111.04471	1.1
111.08073	1.2
113.02372	9.3
117.07030	3.6
119.08589	23.6
121.06530	0.7
121.10143	14.0
123.11681	6.6
125.09589	1.7
127.03947	1.1
129.07007	2.2
131.03398	4.5
131.08577	8.3
133.06494	1.1
133.10129	16.0
135.08025	1.0
135.11687	10.4
137.09624	1.4
137.13277	2.0
141.01822	9.9
141.06996	1.2
142.07799	1.6
143.08560	4.9
145.06516	1.1
145.10124	12.3
147.08022	4.4
147.11671	8.5
149.13281	7.5
151.11206	1.1
153.06964	0.8
155.08556	2.0
156.09361	2.6
157.10138	4.5
158.07281	1.6
159.02910	2.3
159.08022	5.7
159.11697	8.7
161.09610	4.5
161.13255	9.6
163.11203	0.8
163.14854	5.4
165.09094	1.6
167.07019	1.0
169.10124	1.7
170.10847	1.5
171.08060	7.9
171.11652	4.7
172.08871	3.0
173.09602	9.3
173.13254	6.2
175.11162	3.4
175.14803	7.7
177.12775	1.0
177.16336	4.4
181.10196	1.0
183.08127	1.0
183.11696	2.6
185.09584	4.0
185.13263	3.5
186.10422	5.2
187.11198	8.1
187.14836	5.5
189.12814	2.8
189.16365	9.8
191.14310	0.9
191.17909	4.5
195.11772	1.1
197.09677	2.2
197.13272	1.6
198.10463	1.0
199.11179	63.8
201.12744	41.3
201.16336	6.2
203.14323	27.9
203.16238	1.5
203.17944	5.9
205.19528	1.3
209.13367	0.9
211.11325	0.8
211.13216	1.0
211.14970	0.8
213.12784	4.4
213.16399	2.2
215.14363	11.4
215.17931	13.4
217.15948	3.1
217.19534	3.3
219.01938	1.0
219.21147	2.1
221.13373	1.1
225.16417	1.4
227.14484	3.9
227.17995	2.8
229.16028	6.8
229.19516	2.4
231.21227	1.0
233.18991	1.5
237.02849	0.8
237.79460	0.8
239.14285	1.3
241.15967	4.5
241.19521	2.1
243.17390	5.2
243.21156	1.6
251.17862	1.0
253.15939	2.7
253.19606	0.8
255.17439	3.6
255.21147	0.9
257.19006	1.5
267.17493	1.5
269.19009	10.2
271.20569	1.5
283.20627	1.9
295.20792	1.1
349.25040	1.0
387.30856	0.8
405.30945	13.3
405.35483	5.0
423.32324	11.3
427.33142	0.8
581.38104	1.1
599.35809	100.0
600.36359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01874	2.0
55.05513	9.9
57.03436	1.4
57.07079	6.5
59.04990	3.4
65.03929	2.2
67.05173	1.3
67.05506	20.4
69.03432	10.8
69.07067	7.8
69.37896	0.7
71.04980	2.3
77.03947	0.9
79.05497	15.6
81.03423	9.3
81.07058	16.2
83.04983	10.5
83.08616	6.5
85.02907	3.0
85.06535	3.7
87.04467	1.5
91.05476	21.7
93.06474	1.4
93.07046	22.8
95.04971	12.2
95.08606	12.7
97.02876	3.9
97.06520	5.5
97.10166	2.0
99.04481	1.4
103.05437	2.3
105.07033	33.9
106.07936	0.9
107.04957	2.7
107.08596	25.1
109.02882	0.9
109.06534	9.9
109.10163	15.8
111.04433	1.1
111.08083	2.5
113.09635	0.8
115.05459	2.4
117.07011	9.3
119.04906	0.9
119.08579	30.0
121.06496	6.4
121.10146	23.8
121.11026	1.3
123.04430	0.9
123.08088	11.5
123.11695	2.1
125.06015	3.0
125.09628	7.0
128.06221	5.4
128.62061	0.8
129.06992	9.0
130.07779	2.5
131.08563	15.8
133.06529	4.3
133.07458	1.2
133.10130	16.4
135.08054	10.3
135.11702	5.8
137.05911	1.2
137.09631	5.8
139.03894	1.5
139.07526	2.0
139.11154	1.1
141.07001	3.9
142.07764	8.8
143.08563	19.3
144.09309	5.1
145.06461	1.8
145.10124	22.7
146.07317	1.4
147.08055	12.2
147.11679	6.7
149.09602	11.4
151.07541	9.4
151.11229	1.3
153.06989	2.0
153.09117	2.0
154.07809	1.8
155.08586	5.1
155.10663	1.5
156.09334	7.2
157.10123	19.8
158.07257	1.1
158.10921	2.8
159.08055	8.3
159.11693	13.3
160.08916	0.9
161.09631	7.1
161.13203	4.4
163.11183	6.1
165.06984	1.8
165.09119	14.8
166.07796	1.4
167.08582	4.1
167.10678	12.2
168.09348	3.2
169.10127	13.4
170.10936	3.4
171.08142	2.1
171.11684	15.2
173.09631	5.1
173.11783	2.2
173.13277	7.3
175.11136	5.2
175.14859	1.9
177.09148	2.1
177.12718	1.6
179.08575	3.9
180.09302	2.0
181.10085	7.1
181.12216	4.0
182.10899	4.2
183.08054	1.2
183.11705	9.2
184.12411	1.1
185.09631	2.1
185.13242	6.1
187.11188	4.3
187.14806	2.0
189.11246	1.5
189.12772	6.6
190.13503	1.4
191.10727	1.2
191.14279	1.9
192.09456	2.6
192.11333	1.0
193.10146	5.4
193.12259	3.0
194.10904	3.2
195.11716	9.1
195.13676	1.8
196.12526	1.7
197.09647	1.8
197.13297	8.9
198.10391	1.1
199.11208	3.9
199.13029	1.0
199.14847	4.0
200.12112	1.1
201.12784	3.4
203.14314	6.7
205.10187	2.0
205.12259	1.0
206.10965	2.5
207.11699	7.9
207.13826	8.7
208.12482	2.5
209.09621	0.9
209.13275	8.6
209.15350	2.4
211.11183	2.7
211.13026	0.9
211.14937	4.6
212.15556	1.1
213.12721	2.0
213.16382	2.0
215.14296	3.1
217.10120	1.2
218.11024	1.3
219.11743	3.2
220.12599	2.1
221.13268	5.9
221.15331	30.6
222.13934	1.3
223.11279	2.0
223.14914	4.6
225.12801	3.5
225.16399	2.5
226.13647	1.1
227.14468	1.9
229.16060	1.1
231.11603	1.6
232.12523	1.9
233.13249	3.9
233.15344	22.6
234.14124	2.0
235.11197	1.1
235.15001	4.4
235.16939	1.6
236.15677	1.3
237.14650	1.3
237.16615	1.8
239.17969	1.4
241.15791	1.5
243.13747	1.2
245.13277	2.5
247.14963	1.5
247.16992	2.6
248.15608	1.0
249.16360	1.5
251.14322	1.5
251.17915	1.1
255.17503	1.2
257.13354	1.6
259.14746	1.3
259.17175	1.1
260.15619	0.9
261.16278	2.3
263.18060	2.3
265.19629	1.4
267.17184	1.0
269.19073	2.2
271.17142	1.3
273.16281	1.6
274.19534	1.3
281.18967	7.3
285.18683	1.6
286.19363	2.0
287.20233	1.8
291.17459	1.5
291.20874	1.1
293.19028	1.5
295.20425	1.2
299.20084	3.7
311.20081	2.2
329.22562	1.1
333.22214	1.1
349.21570	1.5
351.23175	1.4
359.23923	1.2
364.24033	2.6
365.24893	2.5
373.25366	2.4
377.24820	1.9
391.26288	4.6
415.28339	1.8
441.30142	2.7
489.33685	1.7
493.33368	2.6
507.34738	70.1
581.39899	4.9
599.40912	100.0
600.40558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
67.05471	0.4
69.03414	0.8
69.38643	2.0
71.04985	0.4
79.05476	0.4
79.89016	0.3
81.03441	0.3
85.02911	2.5
91.05469	1.2
95.04908	0.3
97.02873	0.8
103.05463	0.4
105.07011	0.9
107.04938	0.9
115.05476	1.4
117.07002	0.9
121.06470	0.3
127.03977	0.5
128.06207	1.5
129.07007	4.7
131.04918	0.3
131.08582	6.1
133.06487	1.0
133.10123	0.4
136.39200	0.3
141.06998	1.4
142.07768	0.8
143.08546	1.1
144.05692	1.8
145.04939	0.4
145.06464	1.5
146.07251	0.9
147.04413	0.8
149.05962	0.3
150.06584	0.3
153.06999	0.4
156.05640	0.4
157.06497	2.7
158.07242	0.4
159.04465	0.4
159.08055	10.1
161.05981	0.8
161.09634	2.5
162.07588	0.3
167.07030	1.8
169.06435	0.6
169.07664	1.2
170.07350	1.9
171.08051	2.0
172.05170	0.9
173.05977	1.1
174.06772	0.7
175.07579	0.9
177.09068	0.4
180.08560	0.5
181.08640	0.4
185.06148	0.3
186.06699	0.4
187.07550	7.8
189.05524	0.5
189.09120	4.0
190.06236	0.6
192.07797	0.5
193.08611	1.1
194.08975	0.6
198.06743	0.5
199.07576	1.0
201.05481	0.4
203.07039	1.4
204.07835	4.5
205.08621	0.7
206.09402	0.5
209.08075	0.5
210.08340	0.4
211.09683	1.7
212.10023	0.7
216.07758	1.4
217.08609	0.5
218.09377	0.6
219.10214	1.7
221.08116	0.4
221.11737	1.5
231.10173	3.0
234.08902	0.4
237.11125	0.8
249.11227	100.0
250.11481	0.4
267.12277	1.7
303.04907	0.7
340.78116	0.3
377.01706	0.3
405.01614	0.3
411.16251	0.3
419.79999	0.3
432.22159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90915	0.2
57.03428	0.3
57.12383	0.2
61.02909	0.2
64.55886	0.2
69.03413	0.9
69.63548	1.4
75.83055	0.2
77.74075	0.2
79.04537	0.2
85.02908	1.6
91.05473	1.3
97.02885	1.0
97.42911	0.2
98.21515	0.2
103.05455	0.3
105.04475	0.3
105.07021	0.4
107.04958	4.8
108.05305	1.1
109.02880	0.3
115.05458	0.9
116.06229	0.3
117.07022	0.7
121.02896	0.2
121.06502	0.2
123.04351	0.2
127.03883	0.4
128.06216	1.7
129.07010	4.5
130.62961	0.3
131.08572	4.9
133.06465	0.7
133.10159	0.4
141.06982	1.3
142.07744	0.4
143.08540	1.0
144.05675	2.0
145.04987	0.4
145.06487	1.4
146.07253	0.7
147.04425	0.4
152.06247	0.2
153.01759	0.3
153.07010	0.7
155.06000	0.4
156.05721	0.4
157.06496	2.6
158.07202	0.5
159.08057	9.0
160.05115	0.4
161.05974	0.7
161.09625	2.3
162.07625	0.5
167.07069	1.9
169.06390	0.4
169.07625	0.9
170.07304	1.9
171.08076	2.4
172.05205	0.9
173.05983	1.3
174.06744	0.8
175.07541	1.0
178.06273	0.4
178.52318	0.2
180.08755	0.5
184.05096	0.3
187.07541	7.7
189.05478	0.5
189.09100	3.4
190.06271	0.3
191.07162	0.5
192.07689	0.3
193.08614	0.4
198.06799	0.7
199.07500	0.9
201.05330	0.3
203.06972	1.1
204.07816	4.2
205.08559	0.8
206.09370	0.6
216.07777	1.3
217.04968	0.3
217.08589	0.6
218.09352	0.4
219.10165	2.1
221.08073	0.5
221.11656	1.4
230.08719	0.2
231.10190	2.8
234.08931	0.4
237.11238	0.7
244.37344	0.3
248.41019	0.3
249.11217	100.0
250.11508	0.7
267.12234	2.2
287.05722	0.3
309.50449	0.2
353.10410	0.3
366.10336	0.3
408.11914	0.3
432.13522	0.6
446.85022	0.3
462.14703	0.2
498.14566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
61.22506	0.2
69.03423	0.6
71.06349	0.2
71.06694	0.6
73.02920	0.4
81.03415	0.4
85.02927	1.5
91.05489	0.9
97.02897	0.6
98.97607	0.5
103.05500	0.3
105.07033	0.6
107.04984	0.6
115.05446	0.5
117.07024	0.8
121.06536	0.3
128.06235	1.1
129.07022	3.8
131.04958	0.3
131.08577	4.8
132.05766	0.3
133.06458	0.7
133.10196	0.3
141.06990	1.5
142.07777	0.4
143.08560	1.1
144.05736	1.8
145.06506	0.9
146.07303	0.6
147.04369	0.4
153.07040	0.7
156.05690	0.4
157.06497	2.2
158.07292	0.5
159.08069	9.6
161.06093	0.6
161.09628	2.1
167.07085	0.7
169.07640	1.0
170.07275	1.3
171.08064	1.8
172.05240	0.5
173.05988	0.9
173.09734	0.3
174.06731	0.4
175.07561	0.4
178.06253	0.3
178.51466	0.2
179.05411	0.3
187.07556	6.2
189.05496	0.4
189.09096	3.5
193.08641	0.5
198.06801	0.5
199.07521	1.3
201.09108	0.7
203.07039	1.4
204.07851	3.8
205.08672	0.8
206.09265	0.4
207.10143	0.3
216.07866	1.2
217.08685	0.3
218.09372	0.3
219.10159	2.1
221.08104	0.4
221.11768	1.0
231.10158	2.7
233.11736	4.0
237.11189	1.0
249.11240	100.0
249.37379	0.3
250.11656	0.5
251.12794	1.1
261.02454	0.3
267.12271	5.3
303.04868	0.9
304.05222	0.3
352.43683	0.3
389.64764	0.3
405.06998	0.3
411.16644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
60.01915	0.2
61.24096	0.2
69.03429	0.5
70.56019	0.2
70.56367	0.6
82.65916	0.2
85.02918	1.9
91.05486	1.0
97.02885	0.9
105.07018	0.4
107.04951	0.6
115.05486	1.0
116.06254	0.3
117.07000	0.4
121.06487	0.3
128.06204	1.5
129.07002	4.5
131.08575	5.5
133.06483	0.9
133.10123	0.2
141.06990	1.7
142.07768	0.7
143.04922	0.2
143.08551	0.7
144.05702	2.0
145.04924	0.2
145.06487	1.5
146.07262	0.7
147.04387	0.6
147.08063	0.2
152.06140	0.3
153.06989	0.6
155.06038	0.4
156.05757	0.2
157.06488	2.3
158.07236	0.5
159.08060	10.4
160.05170	0.2
161.05994	0.6
161.09641	2.6
167.07034	0.9
169.06349	0.4
169.07652	0.9
170.07280	2.3
171.08058	2.2
172.05228	0.9
173.05974	0.9
174.06761	0.7
175.07587	0.7
178.06223	0.5
180.08733	0.4
185.05994	0.3
186.06789	0.4
187.07558	8.1
188.08372	0.4
189.05434	0.4
189.09100	3.9
190.06210	0.4
191.07007	0.4
192.07753	0.5
193.08640	0.4
198.06778	0.7
199.07568	1.1
200.08348	0.2
201.05634	0.3
203.07098	1.5
204.05898	0.2
204.07816	5.1
205.08647	0.5
206.09305	0.4
215.92351	0.2
216.07893	1.5
217.08563	0.5
218.09390	0.6
219.10182	2.0
221.08189	0.5
221.11781	1.7
231.10188	3.0
234.08859	0.5
237.11200	0.9
249.11230	100.0
250.11678	0.5
267.12289	5.1
375.40994	0.2
411.16345	0.5
611.97601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
54.14403	1.5
55.05501	4.7
55.37672	1.4
57.07079	9.1
59.04984	3.3
64.82964	1.5
67.05508	9.1
69.03432	8.5
69.07066	5.2
70.78519	1.8
70.78864	3.2
75.39659	1.6
79.05498	9.2
81.07053	16.0
83.04978	7.7
83.08617	2.0
85.06541	3.7
88.14478	1.5
89.06009	2.9
91.05481	23.0
92.06271	2.4
93.06476	2.4
93.07039	28.9
95.04969	10.6
95.08609	21.3
97.06534	4.9
102.24076	1.6
105.07031	47.2
107.08588	21.3
107.75099	1.5
109.06511	10.7
109.10139	8.4
111.08060	2.4
115.05414	3.6
117.07029	13.0
119.08584	53.3
120.09386	2.4
121.06483	6.5
121.10155	20.8
122.07281	2.2
123.08077	13.7
123.11722	2.5
125.05977	10.8
128.06218	3.9
129.07014	10.6
131.08571	20.8
132.09305	5.3
133.06464	3.7
133.10130	18.7
134.10883	3.7
135.08058	21.3
135.11670	5.0
137.05943	3.0
137.09613	12.8
139.07565	2.2
141.06938	2.2
141.89281	1.6
142.07805	10.5
143.08583	19.0
144.09309	5.6
145.06500	3.2
145.10124	36.3
146.10954	1.8
147.08041	26.5
147.11687	7.2
149.09624	11.8
151.07542	9.8
151.11128	2.9
155.08540	10.9
156.09358	7.5
157.10139	33.6
158.10921	5.5
159.08049	5.3
159.11705	21.7
160.08849	3.2
160.12430	2.0
161.09659	13.0
161.13248	4.8
163.07469	2.5
163.11166	22.0
164.11957	1.9
165.09113	46.8
167.08562	2.8
168.09360	2.0
169.10138	11.5
170.10889	5.4
171.07988	2.5
171.11670	17.2
172.12425	3.6
173.09639	9.6
173.13261	6.1
175.11183	25.1
175.14856	2.3
177.09076	2.4
177.12819	2.7
178.09828	2.3
179.08504	5.0
179.10645	2.8
180.11464	2.2
181.10146	5.0
181.12212	18.1
182.10898	3.8
183.11688	15.1
184.12476	3.3
185.09637	2.3
185.13277	9.0
187.11157	5.5
187.14864	5.7
189.12744	8.5
190.13507	10.6
191.10664	4.8
192.11211	1.7
193.10336	3.2
193.12225	13.3
194.11006	3.9
195.11664	9.2
195.13667	3.5
196.12473	5.3
197.13225	10.1
199.11194	8.2
201.12714	6.5
203.14319	20.0
205.12210	2.6
207.11668	6.6
207.13785	10.3
208.12622	3.6
208.14590	10.9
209.13289	9.1
211.11182	3.7
211.14801	6.4
212.15628	2.1
213.12688	5.0
215.10658	1.7
215.14233	3.9
216.15106	4.3
219.11848	2.7
219.13777	9.1
221.13390	4.9
221.15352	100.0
222.15729	6.0
223.11293	3.2
223.15048	2.9
225.12723	4.8
225.16383	5.0
226.13454	2.0
227.14268	3.1
229.15875	3.0
231.13881	2.9
233.13205	2.9
233.15326	4.0
234.13898	1.7
234.16154	28.3
235.14932	2.1
237.12697	4.1
237.16466	2.3
239.14368	2.5
240.18640	3.4
241.15919	2.8
243.13821	2.1
245.15450	2.5
247.14771	2.2
247.16946	32.3
248.17644	2.7
249.16437	2.7
251.14293	3.0
253.15886	3.3
259.17041	3.0
261.18564	2.7
263.17999	3.0
265.15680	1.8
267.17255	2.4
271.16934	3.4
273.18484	3.0
274.19321	12.9
279.17398	3.2
281.19028	3.0
283.16968	2.0
285.18491	2.7
286.19254	4.4
287.20105	12.6
297.18515	5.8
298.19357	2.5
299.20096	20.0
300.20911	3.5
307.20514	3.1
310.19150	2.6
311.20016	4.8
312.20782	11.0
313.21655	11.2
325.21637	16.8
327.22989	6.0
337.21555	6.0
339.23096	8.4
340.23950	18.8
352.23923	38.8
353.24692	3.5
365.24799	8.9
366.25546	4.6
369.20187	2.2
377.24686	3.0
379.26361	4.2
387.25317	6.1
391.26065	2.8
392.27032	3.9
400.25949	2.1
411.25333	2.2
413.26886	6.3
419.29510	11.1
420.30051	7.6
425.26892	9.3
426.27658	5.9
427.28412	21.2
440.29205	65.5
442.31052	3.3
454.30908	3.4
505.32928	2.5
507.34586	2.7
508.35257	5.2
512.98773	1.7
520.35474	51.7
521.35913	2.1
550.84229	2.2
567.37927	2.1
600.41620	40.8
600.55457	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75323	4.6
53.03939	7.8
55.05505	10.7
55.14568	5.2
57.07072	19.3
64.89207	5.7
67.05503	24.4
68.03677	6.6
69.03432	11.4
69.07064	9.5
71.54852	9.6
79.05483	20.1
81.07051	26.4
84.83327	5.4
85.06542	17.5
89.06026	24.1
91.05473	44.3
93.07043	50.2
95.04972	15.2
95.08624	26.7
97.06462	8.5
105.07039	59.9
107.08592	26.2
109.06519	13.9
109.10144	18.5
114.63512	5.7
117.06995	17.0
119.08583	65.8
119.57447	5.7
121.06471	7.9
121.10150	30.3
123.08080	18.9
123.11700	7.0
125.06001	15.2
129.07018	8.9
131.08585	23.8
133.06503	6.4
133.08601	13.8
133.10181	27.9
135.08051	26.5
135.11705	7.9
137.09642	9.1
142.07767	16.1
143.08577	21.8
144.09360	7.8
145.10124	49.5
147.08047	31.6
147.11688	9.6
149.09610	14.8
151.07565	12.3
153.00529	5.6
155.08589	16.4
156.09334	8.3
157.10107	44.5
158.10938	11.9
159.08113	8.7
159.11682	40.7
160.12569	5.6
161.09622	14.3
161.13213	9.5
163.11212	23.1
165.09128	48.8
167.08607	6.7
169.10141	17.2
171.11719	13.9
173.09616	12.1
173.13234	13.9
175.11221	24.9
177.11243	8.2
181.10172	11.3
181.12251	23.8
182.11011	5.5
183.11647	14.3
185.13196	16.0
188.12021	7.0
189.12733	13.7
190.13568	8.7
193.10205	9.5
193.12123	14.1
194.10822	6.8
195.11702	16.7
197.13229	19.9
199.14952	6.6
202.93698	6.2
203.14337	22.5
207.11743	8.7
207.13687	12.0
208.14600	13.5
209.13246	15.5
211.11365	7.0
211.14772	11.2
215.14214	7.3
219.13976	6.4
221.13385	8.8
221.15341	100.0
223.14864	7.8
233.15291	6.7
234.16054	18.5
235.14809	7.0
242.79463	6.4
247.16927	26.9
253.15808	5.9
274.19254	17.7
279.65445	5.6
283.26349	20.0
286.19229	10.7
287.20154	11.0
299.20035	18.8
312.20865	12.7
313.21695	12.3
325.21600	19.6
339.23123	6.9
340.23969	18.7
352.24121	30.5
365.24686	15.7
366.25760	7.5
379.26328	9.5
387.25470	9.6
413.26620	6.8
420.29898	7.4
425.26743	10.6
427.28528	17.9
439.28491	7.0
440.29233	67.9
507.34204	7.1
520.35718	57.9
550.19000	6.4
600.41071	36.5
600.55188	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	601.1186
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02385	0.3
53.00312	0.4
53.03951	0.4
55.01863	0.7
56.29118	0.4
57.03439	0.5
60.21800	0.3
60.74133	0.3
62.78685	0.3
68.99792	0.6
69.03440	0.5
69.38022	2.6
71.05009	0.4
79.01852	3.6
81.03442	0.8
85.02930	1.6
91.01323	0.3
97.02892	1.5
99.04508	0.3
105.07042	0.6
107.01318	1.3
107.04977	0.7
109.02870	0.7
111.00824	0.7
121.02860	2.3
125.02372	3.1
127.03870	1.6
133.02925	0.4
137.02295	0.5
143.03395	4.4
145.05014	0.6
145.06435	0.4
147.04396	0.6
153.01831	100.0
153.02866	4.9
165.01854	1.2
167.06979	0.4
171.02893	1.2
183.02893	0.6
185.06006	0.5
189.08881	0.4
195.02968	0.7
213.05524	1.0
218.27310	0.3
229.15727	0.4
231.06508	0.6
238.16058	1.1
241.04968	0.8
246.14908	0.4
258.05112	1.0
259.06073	0.5
287.05496	86.1
288.05643	0.5
297.05975	1.2
315.07083	7.3
315.10706	0.5
329.06375	0.6
392.72818	0.3
395.07486	0.4
427.16571	0.3
431.09354	0.4
453.50494	0.3
505.05289	0.4
601.20844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1194
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
50.84499	0.4
51.02390	0.6
53.03955	2.0
55.01877	1.4
57.03442	0.6
65.03947	1.0
67.05516	0.5
68.99795	1.4
69.03434	3.5
69.78414	1.6
70.33344	0.3
71.01350	0.8
71.04991	0.8
73.02914	0.6
79.01864	3.9
81.03425	12.7
81.07062	0.7
85.02921	4.3
91.05502	0.5
93.03412	1.2
93.07076	0.6
95.08628	1.0
97.02898	6.4
98.20842	0.8
99.04467	1.3
105.07037	1.4
107.01362	2.0
107.01962	0.4
107.04945	0.8
107.08596	0.8
109.02888	6.7
109.10184	0.6
111.00829	0.8
111.04456	2.0
111.42043	0.4
119.08551	0.5
121.02853	1.9
121.10151	0.7
124.82378	0.4
125.02364	3.8
127.03936	8.3
131.08568	0.4
133.10069	0.4
136.07555	0.5
137.02361	100.0
137.03413	6.7
143.03423	4.9
145.04961	1.5
153.01848	92.1
153.02885	4.6
154.02155	0.6
155.02266	0.5
155.03444	4.3
159.08119	0.8
160.27672	0.4
161.05870	0.6
161.09694	0.7
165.01854	2.8
167.07047	1.0
171.02895	7.7
177.16518	0.4
181.05009	0.4
183.02948	1.0
189.16443	0.9
192.89543	0.4
201.05539	1.2
211.09589	0.6
213.05574	0.7
229.04893	2.6
233.04552	0.5
241.05022	0.7
249.11256	4.8
250.11525	2.2
257.04578	2.2
258.05148	1.0
274.04681	0.4
281.06616	4.5
285.04022	0.8
287.05530	68.0
297.06104	8.8
299.07629	6.1
303.05020	55.4
303.07733	1.0
303.12607	0.5
315.07172	3.7
546.41534	0.4
581.57922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01869	1.5
55.05509	5.1
57.03434	1.3
57.07078	1.0
61.02935	1.2
66.90009	0.8
67.05511	9.0
69.03440	2.4
69.07084	5.1
70.39993	0.9
71.01364	2.8
71.05024	1.0
71.53712	0.8
71.54091	0.9
73.02924	5.1
79.05489	4.8
81.03430	2.7
81.07067	10.7
83.05001	0.8
83.08635	2.9
85.02922	9.0
91.05490	7.4
93.07062	10.7
95.01341	3.5
95.04979	2.4
95.08619	27.7
97.02906	2.0
97.06547	0.8
97.10204	2.3
97.73071	0.8
101.02410	1.3
103.03969	1.3
105.07036	12.1
107.04978	2.2
107.08607	13.8
109.06570	1.7
109.10173	9.2
111.08090	1.1
113.02386	3.4
115.05556	0.9
117.07034	2.3
119.08594	14.4
121.06562	2.2
121.10168	8.8
123.08078	0.9
123.11693	4.5
125.09692	1.8
129.07059	1.3
131.03418	2.0
131.08565	4.2
133.06522	6.5
133.10144	8.9
135.08089	2.7
135.11723	6.2
137.09637	1.8
137.13268	2.2
139.03914	2.4
141.01877	4.3
142.07814	1.2
143.08630	2.7
145.06517	1.6
145.10173	4.2
147.08084	5.7
147.11716	6.8
149.13281	2.4
157.10213	2.9
159.02811	1.2
159.08101	1.6
159.11716	4.6
161.09656	4.3
161.13297	6.4
163.03967	1.3
163.11333	1.2
163.14871	1.6
169.10190	0.9
171.08072	0.9
171.11742	2.6
173.09697	1.7
173.13333	3.5
175.11234	9.1
175.14830	5.0
177.12859	1.8
177.16412	1.2
183.11810	1.9
185.13301	1.8
187.14806	7.1
189.11302	0.9
189.12782	5.3
189.16374	8.8
191.18044	4.5
197.13252	1.3
199.14883	3.8
201.12714	4.5
201.16484	3.6
203.14342	29.4
203.16200	1.7
203.18088	2.9
205.15884	2.2
213.16257	2.0
215.14420	2.5
215.17938	1.7
217.15929	21.0
217.19275	3.9
219.17465	1.7
223.14830	1.1
227.18062	1.5
229.16049	1.1
231.17471	1.6
238.47791	0.8
241.15956	1.1
243.17542	3.5
245.19034	1.1
251.18027	1.4
253.19688	2.1
255.17538	3.6
255.21022	1.2
269.19061	1.1
271.20685	2.0
289.14441	0.9
297.22369	1.2
297.84015	0.8
301.14474	1.5
303.05231	1.2
389.32184	2.4
407.33093	13.4
425.34146	6.1
511.29187	1.0
565.27679	1.4
571.29163	1.7
583.28619	3.8
583.37085	1.3
601.37494	100.0
602.37964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01870	0.7
55.05518	2.8
57.03429	1.4
57.07072	1.3
65.03959	0.8
67.05512	4.4
69.03430	2.4
69.07069	3.7
69.82620	1.7
70.04082	0.4
71.01360	3.2
73.02921	5.9
75.04511	0.4
77.84509	0.4
79.05495	4.0
81.03425	0.9
81.07066	8.3
83.01349	0.4
83.04986	0.9
83.08634	1.8
85.02908	12.3
91.05490	6.1
93.07044	7.7
95.01340	4.5
95.04995	1.4
95.08614	11.2
97.02920	1.5
97.06541	0.6
97.10181	0.8
97.62682	0.4
98.20827	0.5
98.97604	0.9
99.00809	1.0
101.01804	0.3
101.02395	1.6
103.03952	1.8
103.05446	0.5
105.04494	0.4
105.07030	8.2
105.07676	0.6
107.04959	0.7
107.08600	11.4
109.06556	1.7
109.10163	7.0
111.08062	0.7
113.02377	5.9
115.05454	0.5
117.01867	0.5
117.07021	1.7
119.08586	14.9
121.06509	3.2
121.10150	8.8
123.08055	0.9
123.11734	4.1
125.09676	0.4
128.06250	0.6
129.07034	1.5
131.03394	2.6
131.08585	3.4
132.95853	1.1
133.06511	1.5
133.10136	7.4
135.08060	27.9
135.11693	4.5
137.09647	0.8
137.13240	2.0
139.03894	0.7
141.01831	7.0
141.07025	0.6
142.07753	0.6
143.08553	1.8
144.09381	0.7
145.06479	0.6
145.10132	5.8
146.07251	0.4
147.08058	6.8
147.11700	5.7
149.09636	6.9
149.13246	2.7
151.11211	1.4
151.14896	0.5
153.07202	0.4
155.08589	1.0
156.09386	0.9
157.10146	2.8
158.10927	0.6
159.02907	1.5
159.08049	2.9
159.11699	5.0
161.09630	5.7
161.13254	3.4
163.11244	1.2
163.14825	1.1
165.07060	0.5
165.09161	1.1
169.10178	1.3
170.10971	0.8
171.08083	1.4
171.11673	2.0
172.08839	0.7
173.09604	2.4
173.13278	3.8
174.10374	0.4
174.96968	0.6
175.11192	3.4
175.14845	2.1
177.12842	0.8
177.16451	1.1
181.10172	0.8
182.11061	0.4
183.11726	1.3
185.09590	2.0
185.13246	3.2
187.11156	2.9
187.14810	4.6
188.15509	0.4
189.12785	3.3
189.16388	10.3
191.17986	1.2
197.09630	0.9
197.13232	1.2
198.96992	0.6
199.11131	2.0
199.14841	2.5
201.12720	3.4
201.16438	3.2
203.14339	5.6
203.18016	1.1
207.11760	0.5
207.17502	0.5
209.13345	0.8
211.11227	0.7
211.14897	0.9
213.12781	1.7
213.16458	1.1
215.14365	2.1
215.18002	1.1
216.98062	0.5
217.15891	8.3
217.19586	1.1
219.01820	0.8
221.13249	0.4
225.12764	0.8
225.16498	0.5
227.14314	1.7
227.18060	0.6
229.15985	1.6
234.98981	0.4
237.02878	0.8
239.14285	0.6
241.15959	1.6
243.17485	1.4
249.16516	0.5
253.16000	0.8
253.19452	0.8
255.17468	2.1
257.19092	1.0
267.17535	1.1
269.18918	1.8
271.20770	0.8
277.00134	1.5
279.03964	0.8
281.19089	0.9
283.20636	0.8
295.20502	0.5
319.24258	0.7
337.25266	6.4
355.26407	1.0
389.32211	1.0
407.33145	10.8
407.38321	0.7
425.34213	1.2
439.32327	0.5
440.32516	0.6
492.75934	0.5
583.36517	0.8
601.37402	100.0
602.37311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01858	0.3
55.05510	1.4
57.03424	0.7
57.07065	0.5
62.65400	0.2
65.03939	0.2
67.05503	2.6
69.03415	0.3
69.07072	2.3
71.01355	2.8
71.08633	0.2
73.02916	3.5
79.05490	1.3
81.03374	0.2
81.07055	4.0
83.01329	0.3
83.08613	1.0
85.02905	6.4
88.59431	0.2
91.05472	1.9
93.07047	3.4
95.01324	1.3
95.04969	0.2
95.08607	6.4
97.02882	0.4
97.10136	0.3
99.00813	0.5
100.31686	0.1
101.02374	1.7
103.03941	0.8
103.05441	0.2
105.07025	5.9
107.04940	1.1
107.08595	5.1
109.06556	0.2
109.10157	4.5
111.08096	0.2
111.11720	0.3
113.02368	3.0
117.07024	0.5
119.08580	7.9
121.06480	1.1
121.10146	3.9
123.08060	0.2
123.11709	2.1
129.06987	0.2
131.03397	1.1
131.08549	1.0
133.06490	7.5
133.10126	4.0
135.08052	1.0
135.11691	2.7
137.09608	0.5
137.13264	0.6
141.01826	1.8
142.07765	0.3
143.08521	0.5
145.06471	0.4
145.10107	1.3
146.07271	0.2
147.08041	3.5
147.11696	3.0
149.09624	0.5
149.13245	1.5
155.08601	0.2
157.10121	1.2
159.02922	0.4
159.08054	0.7
159.11716	1.1
160.08907	0.2
161.09631	2.6
161.13252	3.4
163.11229	0.2
163.14803	0.5
168.09457	0.1
169.10155	0.2
171.08064	0.2
171.11671	0.8
173.09612	0.9
173.13222	0.9
174.10434	0.4
174.14098	0.2
175.11183	9.9
175.14781	2.0
177.12761	1.4
177.16389	0.3
179.14351	0.2
183.11734	0.5
185.10864	0.3
185.13303	0.5
187.11198	0.8
187.14842	0.7
188.11971	0.3
189.12735	4.6
189.16374	3.5
191.14276	0.8
191.18068	0.2
197.13116	0.3
199.11125	0.4
199.14850	0.2
200.12065	0.3
201.12773	0.7
201.16447	0.8
203.14310	14.3
205.15886	0.8
205.19507	0.2
213.12773	0.3
213.16428	0.4
215.14342	1.1
215.17903	1.0
217.15872	13.5
217.19495	0.8
219.17526	0.2
225.16414	0.4
227.14238	0.3
227.18015	0.7
229.15807	0.9
229.19518	0.2
230.16704	0.2
231.17502	0.5
236.84073	0.2
237.16495	0.2
241.15921	0.8
241.19519	0.2
243.17450	4.6
243.21118	0.2
244.18176	0.3
253.19557	0.6
255.17436	2.9
256.18271	0.2
257.18942	1.0
269.19031	0.8
271.20505	0.9
279.21078	0.2
295.20428	0.2
297.22141	0.5
323.23721	0.2
364.27606	0.2
382.28757	0.4
407.33273	0.4
425.34134	3.8
479.16119	0.2
558.31641	0.5
601.37311	100.0
602.37793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05510	1.8
57.03430	1.1
57.07051	0.6
65.03933	0.4
67.05507	4.7
69.03423	0.8
69.07074	4.3
71.01354	3.0
71.04967	0.3
73.02911	3.7
79.05496	2.6
81.03434	0.4
81.07059	5.7
83.01353	0.5
83.04994	0.3
83.08621	1.4
85.02907	6.8
85.03422	0.4
91.05476	3.3
93.07044	5.2
95.01340	2.2
95.05008	0.6
95.08609	15.7
97.02883	0.8
97.06532	0.3
97.10159	0.8
99.00824	0.6
101.02373	2.3
103.03971	0.7
105.07035	7.3
107.04971	1.1
107.08595	9.2
107.09293	0.6
109.06500	0.4
109.10163	7.4
111.08099	0.4
111.11749	0.6
113.02364	3.8
113.07828	0.3
115.05535	0.4
117.07040	0.8
119.08584	10.0
121.06510	1.0
121.10149	5.8
123.08125	0.4
123.11719	3.4
129.07033	1.0
131.03397	1.1
131.08574	2.5
133.06491	7.9
133.07449	0.6
133.10135	5.6
135.08066	1.5
135.11690	4.5
137.09644	0.9
137.13246	1.0
139.03923	0.7
141.01810	3.3
142.07790	0.6
143.08575	1.3
145.06523	0.5
145.10135	3.1
147.08063	4.3
147.11691	4.5
149.09634	0.7
149.13235	2.0
155.08611	0.7
157.10156	2.4
159.02916	0.7
159.08041	0.8
159.11705	2.8
160.08788	0.4
161.09637	2.9
161.13251	4.3
163.11133	0.4
163.14804	1.2
169.10132	0.6
171.11713	1.2
173.09650	0.9
173.13242	2.0
174.10446	0.4
175.11194	9.6
175.14836	2.5
177.12794	1.2
177.16385	0.6
183.11714	1.3
185.13263	1.3
187.11197	0.8
187.14833	3.8
188.11966	0.4
189.12737	4.2
189.16386	5.9
191.14365	1.3
191.17920	1.9
195.11797	0.4
197.13327	0.9
199.14835	1.1
201.12819	1.7
201.14713	0.4
201.16370	2.6
203.14319	18.5
203.17885	1.5
205.15907	1.3
209.13351	0.3
213.12930	0.4
213.16464	0.9
215.14380	1.6
215.17950	1.6
217.15891	17.8
217.19540	2.1
219.17458	0.8
223.14780	0.4
225.16435	0.7
227.17934	1.6
229.15958	1.0
229.19640	0.4
230.05396	0.3
231.17451	0.8
232.43449	0.3
239.17938	0.6
241.15849	1.0
241.19670	0.8
243.17441	4.9
244.18135	0.5
245.19028	0.4
251.18094	0.5
253.19537	1.8
255.17438	2.7
257.19058	1.0
267.21140	0.8
269.19083	1.1
271.20627	1.2
273.22211	0.4
293.22974	0.4
297.22211	0.8
311.23883	0.4
389.32208	2.1
407.33075	7.5
425.34158	4.5
548.76196	0.3
558.31799	0.4
583.36285	0.7
601.37354	100.0
602.37671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
54.77362	1.1
55.01873	1.5
55.05505	6.3
57.03433	2.5
57.07058	2.1
61.22720	1.1
67.05511	10.5
69.03439	2.0
69.06728	1.6
69.07074	22.0
69.07425	2.4
69.88587	0.9
70.96169	1.2
71.01351	4.5
71.53741	1.8
73.02917	7.4
78.15390	1.1
79.05503	6.9
81.03440	1.4
81.07064	17.7
83.03883	1.2
83.08624	6.7
85.02914	20.8
91.05490	14.8
93.07059	19.4
95.01323	2.7
95.04980	1.3
95.08613	33.7
97.02886	2.1
97.06548	1.8
97.10201	3.1
99.00809	2.2
101.02399	1.6
103.03975	1.4
103.05551	1.3
105.07044	29.8
107.04951	1.3
107.08606	27.0
109.06532	1.6
109.10168	20.3
111.08063	2.0
113.02377	9.5
117.07071	2.0
118.49689	1.5
119.08590	78.7
121.06497	2.8
121.10151	21.2
123.08064	2.3
123.11705	10.1
125.09695	1.3
129.07013	1.9
131.03418	4.2
131.08577	6.7
133.06520	7.6
133.10144	38.6
135.08070	12.1
135.11711	16.6
137.13264	3.7
141.01862	4.2
143.08580	6.8
145.10132	10.8
147.08066	5.9
147.11714	23.3
149.13287	9.6
157.10133	6.2
158.10815	1.5
159.02942	1.3
159.08131	1.0
159.11707	9.4
161.09657	4.1
161.13271	16.5
163.14841	7.6
169.10190	1.5
171.11681	2.5
173.13307	8.4
175.11214	3.2
175.14850	39.8
177.12833	1.8
177.16455	4.5
183.11691	1.8
185.13289	4.7
186.29889	1.1
187.14839	11.0
189.12727	2.8
189.16403	22.4
191.14340	14.2
191.17973	9.0
193.16040	1.3
197.13358	1.6
199.14844	4.0
201.12746	9.5
201.16380	7.7
203.14333	93.2
203.17943	25.2
205.15938	9.9
205.19525	7.1
211.14877	2.5
213.16414	2.2
215.14270	2.0
215.17970	2.1
217.15894	81.0
217.19525	8.6
219.17488	1.6
221.19064	1.7
225.16377	1.5
227.18016	3.3
229.16000	1.2
229.19568	2.3
239.17990	1.9
241.19582	2.5
243.17543	2.2
243.21129	1.9
245.18791	1.4
251.18011	1.4
253.19518	1.8
255.17447	2.4
255.21289	1.4
259.20694	2.0
267.21085	1.9
271.20569	3.6
294.94583	1.2
379.33603	7.4
379.38025	1.1
389.32059	12.6
407.33102	80.7
425.34158	68.8
426.34656	1.5
484.38895	1.2
583.36505	1.3
601.37396	100.0
604.62238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87149	0.8
55.05502	2.9
61.00166	0.7
67.05505	3.7
69.03428	1.0
69.07084	4.3
71.01362	1.9
73.02920	4.5
79.05488	3.4
81.03402	0.7
81.07052	7.5
81.63128	0.7
83.08614	2.0
85.02904	6.2
91.05486	3.2
93.07059	5.3
95.01324	1.6
95.05061	1.0
95.08606	9.6
95.32514	0.8
97.02926	0.9
98.97607	1.9
101.02372	1.8
103.03928	1.0
105.07017	8.2
107.08599	9.1
109.06524	0.9
109.10163	7.7
113.02372	3.2
116.98603	0.9
117.06994	1.0
119.08588	9.0
121.06471	0.9
121.10143	5.9
123.11712	3.6
129.06966	0.7
131.03423	1.5
131.08591	1.8
133.06482	8.8
133.10133	6.9
133.21269	0.8
135.08061	1.4
135.11694	3.8
137.13289	1.1
141.01854	2.5
142.07835	0.8
143.08607	1.3
145.06561	0.8
145.10150	2.3
147.08080	4.9
147.11690	5.2
149.13251	2.4
155.08566	0.9
157.10110	2.8
158.99672	0.9
159.08064	0.9
159.11676	2.8
161.01237	0.8
161.09628	2.7
161.13226	4.4
163.14845	1.6
171.11717	1.6
173.13312	1.4
175.11176	11.6
175.14877	3.1
177.12750	1.2
185.10738	0.8
185.13290	1.6
187.14836	2.0
189.12730	5.7
189.16385	4.7
191.14363	1.1
191.17961	1.3
199.11162	0.8
199.14835	1.0
201.00797	0.7
201.16382	2.0
203.14313	12.7
203.17921	1.4
205.15924	1.2
215.18068	1.9
217.15916	13.5
217.19568	2.0
219.01886	2.9
227.18031	1.2
229.15732	0.9
229.19606	0.7
231.17438	1.0
237.02907	2.8
239.18134	0.8
241.16090	0.8
243.17407	3.7
255.17470	3.0
261.02844	1.3
269.18951	1.1
279.03922	2.6
302.05502	1.0
381.07367	1.0
405.35278	1.8
423.07861	0.9
423.36963	0.8
425.34088	2.8
517.85620	0.9
601.37341	100.0
602.37708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46597	0.3
53.03937	0.6
55.05510	2.0
57.03430	1.1
57.07047	1.0
61.02895	0.3
62.13568	0.3
65.03929	0.6
66.91795	0.3
67.05504	3.5
69.03421	0.9
69.07072	2.9
69.54417	1.5
71.01351	2.7
71.04989	0.4
73.02923	4.6
75.04495	0.4
79.05494	3.2
81.07056	5.9
83.01335	0.5
83.05004	0.6
83.08627	1.9
85.02905	11.7
88.83376	0.4
91.05483	5.2
93.07044	7.2
95.01341	4.6
95.04965	0.8
95.08604	9.1
97.02876	0.9
97.06524	0.4
97.10191	0.7
99.00818	0.8
99.08023	0.3
101.02367	1.7
103.03931	1.0
104.92815	0.3
105.07026	7.0
107.04944	0.5
107.08591	9.1
108.90963	0.4
109.06505	1.8
109.10162	6.3
111.08110	0.5
113.02364	6.3
115.05447	0.4
117.07010	1.3
119.08581	12.0
121.06510	2.3
121.10142	7.1
123.08076	1.4
123.11707	3.1
128.06238	0.6
129.07011	1.1
130.07797	0.4
131.03412	2.3
131.08569	3.4
133.06502	1.2
133.10124	7.5
135.08054	26.7
135.11673	4.4
137.09633	0.5
137.13252	2.1
139.11111	0.6
141.01820	6.7
141.02895	0.5
141.07013	0.4
143.08543	1.7
144.09399	0.6
145.06499	0.6
145.10123	6.5
147.08049	5.2
147.11688	5.5
149.09624	6.7
149.10745	0.6
149.13254	2.3
151.11212	1.4
153.12691	0.3
155.05919	0.3
155.08476	0.7
156.09505	0.4
157.10149	2.5
158.10977	0.3
159.02901	1.4
159.08066	1.8
159.11702	4.0
160.08841	0.5
161.09616	5.3
161.13255	3.0
163.11162	0.8
163.14824	1.5
165.09140	0.4
167.08592	0.4
168.09338	0.4
169.10149	1.4
170.10890	0.4
171.08083	1.1
171.11664	1.8
172.08826	0.5
173.09651	2.6
173.13243	3.5
175.11183	3.9
175.14783	1.6
177.12820	0.4
177.16458	0.6
181.10065	0.5
183.11713	1.3
184.08798	0.3
184.12445	0.4
185.09610	2.1
185.13246	3.0
187.11189	2.9
187.14812	4.1
189.12788	3.0
189.16380	9.8
191.14368	0.4
191.18001	1.1
195.11749	0.4
197.09471	0.4
197.13292	1.3
199.11194	2.2
199.14815	2.5
201.12743	3.2
201.16406	3.6
203.14322	3.8
203.17989	1.2
209.13254	0.6
211.11205	0.9
211.14844	1.1
213.12776	1.6
213.16422	1.1
215.14349	2.0
215.18045	0.9
217.15897	9.4
221.13203	0.5
223.11183	0.3
225.12738	0.8
225.16483	0.6
226.13358	0.4
227.14330	1.1
227.17966	0.6
229.15927	1.1
239.14331	0.8
239.18007	0.5
241.15880	1.1
243.17506	1.4
253.15933	1.0
253.19524	0.7
255.17471	1.8
255.20638	0.4
257.19083	1.3
267.17618	0.8
269.18994	2.1
271.20532	0.5
281.19016	0.5
283.20529	0.5
295.20557	0.3
319.24173	1.0
337.25256	6.9
337.29257	0.4
355.26413	0.8
389.32059	1.0
407.33044	10.1
408.03986	0.3
425.34192	1.2
507.80756	0.3
583.36792	0.8
601.37354	100.0
602.37830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
53.87064	4.1
55.05503	14.5
57.07069	13.1
63.38596	3.0
64.62165	2.9
65.72536	2.8
67.05516	20.7
69.03425	10.7
69.07062	8.1
70.06610	4.0
71.54071	4.5
74.50940	3.3
79.05497	14.4
81.07068	24.5
83.04996	3.7
83.08609	10.2
89.06053	5.5
91.05502	27.6
93.07050	36.9
95.04987	5.8
95.08606	25.1
97.06522	7.6
97.10157	5.4
105.07040	37.3
107.08595	26.6
108.08990	3.9
109.06532	8.2
109.10165	12.0
111.11707	4.7
117.07008	12.3
119.08590	47.7
120.08908	3.6
121.06474	5.1
121.10152	24.7
123.08045	17.2
123.11740	5.3
128.06200	3.8
129.07010	7.7
130.07689	5.0
131.08540	14.5
133.08575	4.5
133.10152	23.5
135.08043	12.3
135.11673	11.2
137.09613	15.2
142.07782	9.4
143.08571	16.0
144.09283	5.3
145.10130	34.9
146.10329	3.3
147.08046	20.9
147.11740	9.8
149.09637	4.6
151.07545	10.5
153.09103	3.8
155.08572	6.9
156.09384	5.8
157.10155	24.1
158.10403	3.4
159.08075	5.5
159.11710	16.9
160.08839	7.3
161.09630	5.6
161.13245	7.4
163.11171	6.8
165.09125	41.6
169.10094	8.8
171.11694	12.7
172.12402	3.6
173.13304	5.5
175.11108	5.0
175.14873	4.7
181.10144	6.6
181.12201	10.3
182.11006	3.5
183.11650	8.1
185.13373	5.0
186.91980	3.3
187.11212	4.6
189.12779	7.6
193.10124	4.1
195.11688	5.4
197.13235	9.7
199.11169	5.5
203.14348	14.1
209.13203	11.1
211.14818	5.9
213.16385	4.0
220.12256	3.8
221.13490	4.0
221.15388	100.0
222.15674	10.2
225.16414	6.0
234.16164	4.8
247.17003	8.8
286.19070	5.9
287.19965	3.9
300.20633	5.0
300.29172	3.6
329.26880	7.1
352.24014	7.2
353.24265	6.5
364.24240	4.6
365.24670	4.1
367.26392	5.4
372.26617	3.3
441.29294	5.5
491.35278	7.7
509.35886	5.1
521.36017	18.4
583.41425	10.3
601.42413	33.2
601.56366	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97413	0.9
53.03942	1.7
55.05519	5.5
57.07085	5.8
59.04990	1.9
61.32314	0.8
61.72453	0.9
63.27122	0.8
65.03953	1.3
67.05504	9.8
69.03439	7.2
69.07060	4.2
69.86025	4.7
71.01366	1.1
79.05496	9.7
81.07056	16.0
83.04992	4.0
85.06561	3.1
91.05479	20.1
93.07044	28.0
95.04980	7.0
95.08610	18.1
95.09172	1.6
96.08936	1.0
97.06535	3.4
98.20829	1.6
103.05480	2.2
105.07030	32.8
106.07343	1.3
107.04929	0.8
107.08605	17.8
109.06504	6.5
109.10153	8.2
111.08077	1.8
114.32081	0.9
115.05481	2.7
117.07030	8.1
119.08586	34.2
120.08907	2.2
121.06513	4.8
121.10139	19.1
122.10506	0.9
123.08055	12.3
123.11729	1.6
125.05978	4.6
128.06252	4.5
129.07007	5.3
130.07806	4.1
131.08566	13.5
133.06470	1.7
133.10135	20.0
133.11078	1.5
135.08066	11.2
135.11711	5.5
135.83754	1.0
137.09619	12.0
139.07593	1.4
141.06985	1.4
142.07822	5.2
143.08560	11.9
144.09344	4.1
145.06441	1.4
145.10130	23.9
147.08038	21.3
147.11714	5.1
148.67609	1.0
149.09627	3.4
151.07539	11.6
151.11136	0.9
153.06950	1.6
153.09053	1.2
155.08534	4.5
156.09395	5.9
157.10135	16.7
158.10876	2.3
159.08112	3.2
159.11703	16.4
161.09641	4.9
161.13240	5.8
163.11169	7.4
165.07053	1.9
165.09119	45.7
166.09396	2.1
167.08615	2.5
168.09406	1.3
169.10143	8.1
170.10876	3.1
171.11716	10.5
173.09634	3.9
173.13246	7.0
174.13623	1.0
175.11252	3.9
175.14824	4.8
177.09047	1.6
179.08604	2.2
181.10167	4.1
181.12251	8.1
182.11009	2.2
182.12517	1.7
183.11707	8.4
185.09659	1.2
185.13281	5.9
187.11186	1.8
187.14874	4.5
189.12798	4.9
190.13490	1.1
191.10699	1.7
191.14267	1.8
192.09282	1.9
193.10181	1.7
193.12294	2.2
194.10902	1.6
195.11742	5.6
195.13643	1.4
195.77711	0.9
196.12428	2.0
197.13234	6.6
199.14864	2.7
201.12816	2.3
201.16502	1.3
203.14328	19.4
204.14664	1.1
207.11754	3.2
207.13889	6.6
208.12602	1.3
208.14522	1.0
209.13284	5.2
209.15160	1.8
210.13948	1.1
211.14836	3.2
213.12769	1.9
213.16394	2.6
215.14368	1.5
221.15359	100.0
222.15765	6.1
223.14912	2.7
225.12766	1.2
225.16451	2.9
227.14330	1.6
229.15947	1.3
233.13286	1.8
234.16139	2.2
235.14885	3.2
237.16444	1.6
239.17984	2.5
247.14810	1.5
247.16876	4.3
248.17427	3.0
249.16360	1.7
251.14392	1.1
251.18011	1.3
255.17528	1.3
261.16382	1.7
265.19562	2.7
274.19357	2.2
277.19684	1.1
281.19019	1.3
283.20584	2.3
285.22150	0.9
286.19366	2.0
287.20218	5.7
295.20642	1.1
297.22131	1.0
299.20154	4.6
300.20755	4.3
301.21719	3.6
311.20135	1.7
312.20758	1.7
313.21536	2.9
325.21786	2.0
326.22159	2.6
340.24088	1.8
349.25293	1.4
352.24112	3.9
353.24411	5.1
365.24957	1.2
367.26447	6.3
375.26947	2.2
377.24591	1.8
378.25043	1.2
379.26251	0.9
391.26413	0.9
393.27759	2.0
421.31140	1.3
426.27362	2.0
427.28268	1.1
428.29056	1.7
428.34830	0.9
440.29242	3.2
441.29657	6.0
491.35181	10.4
509.36267	3.3
520.35724	1.3
521.35907	11.6
565.40540	1.2
583.41504	12.3
601.42450	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01875	1.7
55.05516	5.3
57.07077	8.3
59.05009	2.5
65.03910	0.9
67.05515	10.7
69.03442	6.1
69.07089	5.6
70.99814	1.9
77.03972	1.1
77.21060	1.1
79.05497	12.4
81.07066	18.3
83.04974	5.2
83.08614	3.1
85.06553	3.8
87.04427	1.3
89.06055	1.4
91.05482	24.7
92.05824	1.4
93.07051	35.3
93.07636	1.9
93.58184	1.0
94.07354	1.5
95.04970	6.4
95.08611	21.6
97.06548	4.7
103.05456	2.4
105.04521	1.4
105.07040	33.0
106.07356	2.3
107.08600	20.5
109.06534	10.1
109.10167	10.2
111.08101	2.1
115.05444	1.7
117.07035	10.8
119.08590	38.1
120.08930	2.7
121.06529	5.1
121.10155	20.5
122.10471	1.1
123.08089	14.2
123.11681	2.5
125.06022	5.6
128.06230	3.2
129.07013	6.6
130.07831	2.6
131.08578	16.6
132.08940	1.5
133.06522	2.1
133.08649	1.1
133.10149	20.1
135.08069	12.2
135.11699	6.6
137.09627	11.2
141.06996	2.0
142.07802	8.7
143.08571	12.8
144.09265	4.0
145.10139	27.4
146.10535	2.2
147.08069	21.3
147.11726	7.7
148.08447	1.8
149.09619	6.4
149.13252	1.3
151.07539	12.8
151.11177	1.7
152.08159	1.1
153.09102	1.6
155.08575	7.1
156.09341	4.8
157.10141	19.4
158.10651	3.9
159.08073	3.5
159.11703	16.0
160.12169	1.6
161.09660	4.8
161.13278	6.8
163.11183	9.0
164.11568	2.0
165.07030	2.4
165.09126	43.9
166.07903	1.0
166.09482	2.1
167.08549	2.1
168.09352	3.0
168.70578	1.2
169.10138	8.7
170.10756	2.4
171.08054	1.0
171.11710	10.8
172.12430	1.7
173.09633	4.8
173.13290	5.9
174.10260	2.0
175.11176	5.6
175.14819	5.2
177.09152	1.0
177.12782	1.6
179.08604	2.1
181.10188	3.4
181.12225	6.8
182.10861	3.0
183.11702	11.1
184.12195	1.2
185.13297	7.6
186.13664	1.2
187.11209	3.0
187.14809	4.3
189.12802	4.9
190.13408	2.7
191.10757	1.7
191.14336	3.0
192.11215	1.1
193.10187	2.4
193.12259	3.4
193.13976	1.2
194.10863	2.8
194.12599	1.1
195.11703	6.1
195.13521	1.2
196.12384	1.5
197.13243	7.0
198.13857	1.1
199.11147	1.7
199.14850	1.8
201.12761	3.2
201.16493	1.5
203.14293	16.2
205.10242	1.3
206.10866	2.0
207.11736	2.5
207.13834	6.2
208.12436	1.8
208.14449	2.2
209.13258	6.8
209.15303	2.8
210.14098	1.9
211.11252	1.2
211.14845	3.7
213.12802	2.4
213.16441	2.7
214.13461	1.1
215.14366	2.3
219.11682	1.7
219.13843	1.3
220.12405	1.4
221.13527	3.4
221.15381	100.0
222.13956	1.4
222.15765	7.5
223.14641	2.1
225.12825	1.0
225.16309	1.5
227.14427	2.3
233.13257	2.2
233.15390	2.2
234.14117	1.0
234.16051	4.9
235.14729	2.3
235.16724	2.6
238.16748	1.0
239.14398	1.4
243.13623	1.1
247.14816	1.9
247.16992	5.6
248.17331	4.5
249.16429	1.4
250.13615	1.0
261.98825	1.1
265.19492	1.1
271.17294	1.1
274.19370	2.2
275.19528	1.2
277.19629	1.1
279.17584	1.5
283.20474	1.2
285.18497	1.1
286.19269	2.5
287.20227	5.9
288.20587	1.7
297.18637	1.2
297.21982	1.4
299.20145	5.9
300.20776	4.6
301.21588	3.9
311.19989	1.3
312.20651	3.3
313.21561	4.3
319.20209	1.1
325.21674	3.0
326.22305	1.9
340.23853	2.6
341.24292	1.7
352.24036	4.2
353.24380	4.0
365.24759	1.9
367.26138	5.9
372.50302	1.0
375.26843	2.4
388.25854	1.0
393.15622	1.3
393.27573	2.4
420.29922	2.0
425.31375	1.2
426.27170	1.2
427.28189	1.5
428.28940	2.8
440.29138	4.7
441.29581	11.9
491.35175	9.0
509.35910	4.5
521.35803	12.3
583.41498	11.9
601.42413	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25780	2.1
51.99242	1.8
53.03944	8.8
55.01855	2.9
55.05511	19.8
57.07075	15.2
59.05009	2.4
61.29436	2.0
65.03938	6.6
67.05509	30.0
69.03430	17.7
69.07076	24.3
69.22421	4.4
69.22817	18.4
70.06602	3.5
71.05014	3.0
75.03863	2.0
79.05063	3.0
79.05496	37.6
81.03416	5.5
81.07064	40.5
82.87043	1.8
83.04988	20.3
83.08624	13.1
85.06544	7.6
86.11655	2.3
86.12904	2.2
87.04451	3.9
89.06001	2.4
91.05487	55.3
93.07049	74.0
93.07644	4.1
94.07385	2.0
95.04977	24.0
95.08615	41.4
95.18311	2.0
95.26206	2.3
97.06543	11.6
103.05500	3.6
105.04528	2.4
105.07037	100.0
107.04922	2.8
107.08597	70.1
108.08926	2.4
109.06546	17.2
109.10158	26.7
111.08109	5.1
112.02976	1.9
113.09663	2.4
115.05440	6.2
116.06239	2.4
117.07021	21.0
119.05014	2.2
119.08589	88.1
121.06510	14.8
121.10148	73.5
123.08062	18.4
123.11701	8.9
125.05972	3.6
125.09644	10.2
128.06215	15.6
129.07013	18.0
130.07759	8.0
131.08589	42.1
133.06526	4.8
133.10136	57.3
135.08063	22.5
135.11719	16.1
137.09631	13.4
137.13222	2.0
139.11191	6.3
141.06984	8.5
142.07784	23.4
143.08565	40.9
144.09378	11.9
145.06490	3.4
145.09052	3.9
145.10138	65.4
146.07300	2.7
146.10542	2.8
147.08046	18.5
147.11703	15.4
148.08545	2.2
149.09608	21.2
149.13220	2.8
151.07544	8.5
151.11220	2.7
154.07806	2.8
155.08580	17.0
156.09372	14.9
157.10133	57.1
158.10742	7.0
159.08066	16.0
159.11717	32.6
161.09630	15.0
161.13255	7.9
163.11183	12.0
165.07013	5.3
165.09119	31.0
166.07697	4.3
166.09404	3.3
167.08545	10.6
167.10667	44.8
168.09357	6.2
169.10136	26.5
170.10867	8.5
171.11714	31.0
172.12204	4.0
173.09631	6.4
173.13248	23.4
175.11232	12.2
175.14824	10.1
176.11655	2.9
179.08566	12.3
180.09384	5.8
181.10088	15.8
181.12288	11.4
182.10818	7.0
183.11713	23.1
184.12254	4.3
185.09731	3.8
185.13243	19.7
187.11208	5.7
187.14792	8.0
189.12816	9.9
190.13405	2.7
191.14249	7.8
193.10121	11.9
193.11874	2.1
194.10939	10.0
195.08168	2.6
195.11705	19.3
195.13321	2.7
196.12393	8.0
197.09579	2.5
197.13274	23.0
198.13730	4.6
198.60765	2.0
199.11224	5.5
199.14807	12.8
201.12726	6.7
201.16415	2.9
203.10585	2.4
203.14339	17.8
205.10199	5.0
206.10876	4.3
207.11684	16.1
207.13814	7.3
208.12440	6.8
208.14336	2.5
209.13322	21.0
209.15184	4.5
210.13937	6.4
211.11240	2.2
211.14816	13.2
213.12682	6.1
213.16341	5.0
215.14317	3.4
217.10078	3.5
217.15802	6.9
219.11708	4.7
219.17540	2.1
220.12560	4.9
221.13263	12.6
221.15344	74.4
222.13884	4.6
222.15794	6.5
223.14891	11.5
225.12735	2.8
225.16386	9.3
227.14331	5.8
231.11826	5.8
231.17438	2.8
232.12424	2.9
233.13269	7.5
233.15393	23.4
234.13997	5.8
234.16028	2.9
235.14728	12.3
236.15410	3.0
237.14619	4.3
237.16629	5.5
239.14322	3.6
239.18036	4.4
245.13245	5.1
246.13930	4.3
247.14822	4.1
247.17023	4.1
249.16412	6.9
251.14056	2.9
251.17966	5.7
253.15842	3.1
255.17424	4.4
256.17780	4.2
257.13098	2.8
257.18976	5.4
259.14835	2.9
261.16333	4.6
263.17975	4.8
265.19534	6.9
267.17410	2.4
269.18924	4.8
273.18683	2.7
275.17947	6.5
277.19431	3.6
279.17593	2.2
281.19098	3.3
283.20563	5.6
286.19159	5.8
287.20001	8.2
291.21066	4.4
293.18774	3.0
295.20395	4.2
297.22086	2.7
299.20090	4.7
300.20706	4.7
301.21738	5.4
303.19638	7.7
304.19955	4.3
312.20721	2.5
314.22015	3.8
325.21597	2.5
329.22543	2.6
331.24213	5.5
349.25198	6.9
352.24164	10.7
353.24295	13.6
361.25287	3.0
365.24875	5.0
366.25150	3.5
367.26358	5.2
375.26651	3.0
383.25882	2.4
390.80164	2.1
403.29770	2.3
420.30029	2.2
491.34784	4.0
503.34940	4.8
508.34763	2.7
520.35553	3.0
521.35919	11.6
565.40161	7.5
583.41547	12.3
601.42352	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07907	2.4
52.18534	2.1
53.03935	7.6
55.05304	1.9
55.05511	22.2
57.07067	8.6
59.04990	4.3
63.41087	1.9
65.03928	5.5
67.05511	34.4
69.03423	11.4
69.07069	21.2
70.78413	4.0
71.04965	3.2
79.05489	32.7
81.07063	54.8
83.04981	26.0
83.08610	17.7
85.06518	6.9
87.04417	2.8
91.05486	62.0
93.06477	4.5
93.07049	82.7
95.04962	24.0
95.08612	39.8
97.06531	13.7
103.05457	6.1
105.04515	3.6
105.07036	99.6
106.07353	4.0
107.04970	3.9
107.08602	80.4
108.08887	2.7
109.06531	16.4
109.10150	29.6
110.38178	2.7
111.08066	7.5
111.11752	2.8
113.09618	4.0
115.05452	6.5
116.06268	3.5
117.07034	17.9
119.08588	100.0
120.08815	2.9
121.06478	13.6
121.10146	91.3
123.08074	17.4
123.11693	11.9
125.09652	14.5
128.06219	11.9
129.07022	20.8
130.07759	8.9
131.08582	49.2
132.09367	3.6
133.06491	4.7
133.10139	59.5
134.10487	3.6
135.08052	17.7
135.11685	28.4
137.09595	10.3
139.11172	6.7
141.07040	10.6
142.07793	30.3
143.08585	42.9
144.09258	8.7
145.10135	85.6
146.07289	2.2
147.08047	12.9
147.11703	24.2
149.09610	19.9
149.13257	4.7
151.07463	8.0
153.06937	4.1
154.07739	3.9
155.08537	20.1
155.10655	8.1
156.09334	16.8
157.10127	63.7
158.10837	6.5
159.08098	20.5
159.11708	38.7
160.12158	4.2
161.09634	15.0
161.13269	10.6
163.11195	12.2
165.06987	6.9
165.09114	9.0
166.07800	4.5
167.08617	11.2
167.10684	67.2
168.09267	6.8
168.10765	2.2
169.10118	31.4
170.10843	9.4
171.08067	3.1
171.11687	36.3
172.12100	5.2
173.09598	10.5
173.13269	31.5
174.13611	3.7
175.11211	11.1
175.14822	19.2
177.12724	2.5
179.08575	12.4
180.09290	6.7
181.10165	17.4
181.12228	7.4
182.10883	12.8
183.11684	31.1
184.12296	5.2
185.09497	3.5
185.13257	21.8
186.10298	2.6
186.13689	2.8
187.11205	5.6
187.14830	10.6
189.12776	10.7
191.14307	8.4
192.09283	3.1
193.10149	14.5
194.10907	12.0
195.11717	23.5
196.12473	10.0
197.09659	3.0
197.13284	22.7
198.13634	2.1
199.14804	14.9
201.12668	6.6
201.16380	7.0
203.14374	10.6
205.10194	4.0
206.10950	5.5
207.11786	18.5
207.13622	4.8
208.12311	8.1
209.13312	27.9
209.15187	4.3
210.13913	6.8
211.11250	4.5
211.14818	17.2
213.12691	8.8
213.16467	4.3
215.14270	3.6
217.15926	5.5
219.11688	6.9
219.17384	2.8
220.12404	5.3
221.13228	14.7
221.15369	25.6
222.13855	4.1
223.11346	2.9
223.14784	15.8
224.15486	4.9
225.12822	4.2
225.16365	9.8
227.14285	5.9
227.17998	2.8
231.11641	4.5
233.13223	6.4
233.15331	32.7
234.13763	3.3
234.15961	3.4
235.14743	12.5
236.15341	3.8
237.16318	10.6
239.17960	5.1
241.15996	3.2
243.17548	2.7
245.13202	4.9
246.13872	3.6
247.14766	7.1
248.15433	3.8
249.16374	10.5
250.16757	3.0
251.17984	5.2
253.15776	3.1
253.19542	3.0
255.17502	5.8
256.17868	3.6
257.18954	3.4
259.14743	3.8
261.16489	5.6
262.16846	2.5
263.17966	6.5
265.19571	5.6
267.17450	3.0
267.21222	3.1
269.18973	10.4
273.16156	4.9
273.18805	2.8
275.17865	5.7
277.19519	5.7
279.17310	3.7
281.18982	7.2
283.20575	5.5
285.18692	3.8
287.20047	6.5
289.19504	3.2
295.20486	6.0
297.21768	2.8
299.20065	5.7
300.20743	3.2
301.21594	4.7
333.21994	2.3
335.23685	2.4
345.22137	2.5
349.25253	4.6
353.24850	2.4
361.25278	4.3
367.26312	4.0
375.26794	4.2
491.35336	3.8
565.40381	6.9
583.41595	13.0
601.42737	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	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92915	2.7
53.03941	5.6
53.67948	3.1
55.05518	24.8
55.38211	2.4
57.07070	11.6
58.83619	2.5
59.04994	4.4
65.03948	5.5
67.05502	36.8
69.03426	15.7
69.07072	22.1
71.08622	3.4
71.54456	3.4
77.03973	3.1
79.05499	35.6
81.03431	4.4
81.07059	48.3
83.04995	18.7
83.08646	16.7
85.06548	4.2
85.10165	2.6
87.04472	5.9
89.06037	13.3
91.05481	68.5
91.06017	4.8
93.07053	79.9
95.04976	23.0
95.08609	43.5
97.06527	10.1
97.10181	5.3
97.60173	2.8
103.05463	6.8
105.07037	100.0
107.08601	76.0
108.08944	4.1
109.06529	15.5
109.10155	37.2
111.08093	7.2
111.11727	4.2
113.09674	4.6
115.05459	8.4
116.06243	4.4
117.07011	22.3
119.06137	2.8
119.08585	89.0
120.08932	4.5
121.06478	13.7
121.10152	86.4
122.10514	2.5
123.08093	15.9
123.11690	10.9
125.06017	3.7
125.09628	15.6
126.53651	2.8
128.06259	12.8
129.06999	22.9
130.07777	10.4
131.08577	39.5
133.06483	3.1
133.08624	6.6
133.10132	53.5
134.10516	3.6
135.08022	15.5
135.11679	22.9
137.09618	14.2
139.11177	9.2
141.07001	9.2
142.07767	21.1
143.08563	44.0
144.09322	5.7
145.10132	73.0
146.10457	3.8
147.08070	16.4
147.11681	22.5
149.09625	21.3
149.13264	4.9
151.07587	8.2
151.11200	3.0
153.06952	3.5
154.07817	3.2
155.08571	21.1
155.10625	7.1
156.09332	19.5
157.08813	3.7
157.10132	65.3
158.10855	6.2
159.08028	14.7
159.11694	33.6
161.09686	15.2
161.13300	10.7
163.11234	12.0
165.07008	6.6
165.09154	18.0
166.07809	3.3
167.08597	9.7
167.10681	55.9
168.09323	4.8
169.10138	28.3
170.10921	4.7
171.11679	29.7
172.12041	4.0
173.09593	9.9
173.13275	24.6
175.11215	11.0
175.14815	20.2
177.11320	2.8
179.08531	12.6
180.09323	5.6
181.10136	16.8
181.12294	6.1
182.10851	7.4
183.11673	23.2
184.12355	3.6
185.09549	3.7
185.13271	20.5
187.11211	7.5
187.14806	15.0
189.12802	7.7
191.14355	8.6
192.09274	3.5
193.10153	11.4
193.11935	3.0
194.10910	10.5
195.11708	19.9
196.12329	7.0
197.13280	22.9
199.11165	7.0
199.14804	12.6
201.12770	3.7
201.16353	5.2
203.14334	12.6
205.10126	2.9
205.15958	4.2
206.10968	3.7
207.11678	15.5
207.13663	5.0
208.12498	5.0
209.13257	21.5
210.14040	4.3
211.11147	4.1
211.14822	17.5
213.12735	5.9
213.16318	5.6
215.14383	7.2
217.15948	4.5
219.11664	6.8
220.12418	5.0
221.13254	14.1
221.15399	46.9
221.17346	5.1
222.13855	4.5
223.14832	12.4
224.15323	2.8
225.16389	3.8
227.14214	4.1
231.11736	4.4
232.12592	3.7
233.13281	6.6
233.15387	25.8
234.13942	3.1
234.16124	3.2
235.14896	10.2
236.15416	4.4
237.12570	3.2
237.16393	7.0
239.18013	3.6
245.13144	3.6
246.13869	3.2
247.14685	4.1
249.16478	5.7
251.18054	6.7
257.18985	4.2
259.41754	2.6
261.16376	6.5
262.17081	3.8
263.17926	4.9
265.19519	6.7
269.18964	9.5
273.16309	4.0
275.17886	4.6
277.19489	3.5
283.20724	7.2
287.20135	5.4
299.20081	6.8
301.21762	3.3
331.24118	3.2
349.35651	2.9
365.25037	4.9
416.25977	3.7
491.35168	4.5
565.40137	4.3
583.41705	14.9
601.42908	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74585	0.3
63.05175	0.3
67.05479	0.4
69.03413	0.9
70.97847	0.8
78.04713	1.7
79.05496	2.4
81.03422	0.5
81.07051	0.4
85.02908	1.5
91.05455	1.6
93.07053	0.3
95.04986	0.8
97.02871	0.5
98.89183	0.3
103.05470	3.1
105.07040	4.8
106.04178	1.1
107.04287	0.5
107.04962	6.0
109.02893	0.4
109.06552	0.4
115.05449	2.1
117.07013	0.8
118.04309	0.3
119.04976	0.6
121.06516	1.7
122.03621	0.3
123.04428	5.0
123.08068	0.5
124.05229	2.1
129.06979	0.6
131.04938	6.7
131.05823	0.2
131.08594	0.9
131.32614	0.3
133.06496	4.8
134.03696	0.5
135.08038	1.2
136.05167	0.3
137.05995	2.7
143.04997	0.4
143.06023	0.4
143.08534	0.5
144.05667	0.5
144.76442	0.3
145.04958	0.3
145.05463	0.3
145.06494	2.3
145.10046	0.3
147.04381	1.4
147.08017	0.5
149.06007	0.7
151.03923	0.9
151.07545	3.3
152.04684	2.1
153.05476	0.7
157.06477	0.4
158.07263	1.1
159.08072	1.3
160.05177	0.5
161.05984	6.2
163.07552	11.6
165.09135	0.5
167.07047	100.0
168.07500	0.6
169.06400	0.4
172.05232	0.5
173.06027	1.1
173.09641	1.1
175.07550	1.8
177.05501	0.3
177.09111	2.5
179.07045	3.1
180.08707	0.6
181.08597	3.7
186.06715	0.3
187.07581	2.7
189.09186	0.7
192.07819	0.9
193.08620	15.3
195.10184	0.5
201.09109	2.2
203.08591	0.3
205.08563	1.3
207.10179	1.0
217.08592	0.9
219.10153	2.7
231.07999	0.6
233.11726	3.0
237.11185	3.5
248.08321	0.4
251.12784	2.0
253.35419	0.3
263.10681	0.6
264.11176	0.3
291.10159	0.8
295.13254	0.8
303.05042	0.3
323.12796	1.9
355.15433	12.7
372.15796	0.3
387.18048	14.3
390.66241	0.3
395.17581	0.3
405.19110	34.5
406.19498	0.5
423.20102	1.3
558.03882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43074	0.2
65.03942	0.2
69.03434	0.5
70.43824	0.4
70.44219	0.4
78.04695	0.9
79.05497	0.7
80.56364	0.2
81.03424	0.4
85.02916	1.2
88.55934	0.2
91.05466	0.3
93.07016	0.3
95.04969	0.3
95.08601	0.3
97.02870	0.4
103.05482	0.2
105.03325	0.2
105.07027	0.7
106.04160	0.7
107.04939	1.1
109.02879	0.2
121.06504	0.4
122.03647	0.2
123.04414	2.7
124.05198	1.0
133.06503	0.8
134.03658	0.2
135.04477	0.2
137.05977	0.6
148.92981	0.2
149.06009	0.5
151.03914	0.6
152.04694	1.0
153.01678	0.2
158.07364	0.2
161.05986	0.5
163.07494	0.2
165.05505	0.3
167.07043	100.0
168.07373	0.5
179.06944	0.2
180.08647	0.2
181.08566	0.9
193.08614	4.5
211.09665	16.0
213.11220	0.7
217.70285	0.2
238.01099	0.2
256.93982	0.2
308.19669	0.2
315.13382	1.2
317.91699	0.2
480.26123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
57.07086	4.9
58.06617	2.2
65.03939	0.8
67.05512	1.8
69.03432	1.1
69.07057	0.8
70.06600	17.0
71.01369	0.6
71.08641	3.7
72.08126	0.8
73.02926	1.0
79.05522	0.6
80.25225	0.4
81.03413	0.7
81.07075	1.9
82.54465	0.4
83.08663	0.5
85.02923	1.9
85.14413	0.4
88.07642	21.0
91.05510	1.0
93.07059	1.7
95.01354	0.4
95.08617	3.8
96.08932	0.6
97.02892	1.1
102.09191	13.6
105.07050	1.2
107.08583	1.2
109.10173	1.9
119.08601	2.0
120.08931	0.9
121.10174	1.2
123.11700	0.6
127.03944	1.6
131.05017	0.5
131.08612	0.8
133.06503	1.5
133.10147	1.6
135.11720	1.3
136.12019	0.5
139.03960	0.5
141.01871	0.7
145.04982	0.7
145.10129	0.7
147.11734	1.1
148.21680	0.5
149.02365	32.0
149.03336	1.5
151.43253	0.5
156.17430	0.9
159.11726	0.7
161.09657	0.9
173.13309	0.8
175.03981	1.2
175.11255	1.5
177.05548	0.9
187.06050	1.6
187.14885	0.8
189.12691	0.5
190.16701	0.5
191.07051	0.6
193.04993	43.6
199.15016	0.5
200.20123	49.1
201.16409	0.5
201.20566	0.6
203.14275	3.6
204.14734	2.0
205.07156	2.6
217.15956	2.5
218.16313	1.5
219.06625	1.2
225.05402	0.6
227.73619	0.5
229.15610	0.5
234.99107	0.6
237.07613	11.7
244.22852	1.4
255.17522	0.7
269.04501	1.3
279.00156	0.8
297.04022	1.7
313.07050	2.6
324.97443	0.5
335.92053	0.5
341.06589	10.2
355.53827	0.5
359.07632	4.8
385.09229	19.6
385.14139	1.0
407.33191	0.7
408.33749	2.3
422.23526	0.5
425.34268	0.6
426.34406	1.0
429.11871	26.5
476.87628	0.5
541.38531	0.5
584.29083	1.6
602.29596	100.0
602.38013	16.6
603.29919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69934	0.4
58.14410	0.3
65.10864	0.3
69.03416	1.0
71.04989	0.5
76.25211	0.4
78.78524	0.4
79.05518	0.4
81.03410	1.1
81.07069	0.8
85.02911	1.6
93.07071	0.7
95.08623	0.7
97.02869	0.6
98.97581	0.6
105.07019	0.4
109.02879	0.8
110.97616	0.4
119.04949	0.5
119.08614	0.4
123.04494	0.4
127.03927	0.7
133.10135	0.8
137.06001	1.5
137.09633	0.7
143.08496	0.4
145.05002	0.5
151.03804	0.4
153.01842	8.0
153.02939	0.5
163.04024	0.5
167.07068	1.4
171.02921	1.6
185.04245	2.1
191.10435	0.4
203.10715	0.7
219.01755	0.5
289.07153	2.0
297.06158	0.6
309.13702	0.4
344.07986	0.4
418.12546	0.4
425.11920	0.8
440.14163	1.9
441.15372	2.3
441.20517	0.5
441.33450	0.7
491.12982	0.4
522.03467	0.4
543.20978	3.1
603.20459	100.0
604.20435	1.0
606.98260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69934	0.4
58.14410	0.3
65.10864	0.3
69.03416	1.0
71.04989	0.5
76.25211	0.4
78.78524	0.4
79.05518	0.4
81.03410	1.1
81.07069	0.8
85.02911	1.6
93.07071	0.7
95.08623	0.7
97.02869	0.6
98.97581	0.6
105.07019	0.4
109.02879	0.8
110.97616	0.4
119.04949	0.5
119.08614	0.4
123.04494	0.4
127.03927	0.7
133.10135	0.8
137.06001	1.5
137.09633	0.7
143.08496	0.4
145.05002	0.5
151.03804	0.4
153.01842	8.0
153.02939	0.5
163.04024	0.5
167.07068	1.4
171.02921	1.6
185.04245	2.1
191.10435	0.4
203.10715	0.7
219.01755	0.5
289.07153	2.0
297.06158	0.6
309.13702	0.4
344.07986	0.4
418.12546	0.4
425.11920	0.8
440.14163	1.9
441.15372	2.3
441.20517	0.5
441.33450	0.7
491.12982	0.4
522.03467	0.4
543.20978	3.1
603.20459	100.0
604.20435	1.0
606.98260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3164
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02366	1.7
53.03958	7.7
55.01880	12.8
55.05513	32.7
57.03445	14.8
59.05000	1.1
67.05508	42.5
68.99754	1.1
69.03428	6.9
69.07069	11.7
70.19997	2.8
70.20402	1.8
71.01360	1.5
71.04996	6.8
78.57365	1.3
79.05497	42.8
81.03423	69.1
81.07062	43.9
82.13781	1.1
83.04990	15.3
83.08619	26.3
85.02431	2.0
85.02912	26.7
85.06568	2.8
91.05486	47.1
93.03413	1.4
93.07053	29.4
95.04971	49.2
95.08602	18.4
97.02898	5.5
97.06529	7.6
97.10172	17.0
99.04478	2.2
99.08115	2.0
99.71947	1.1
102.27749	1.0
103.05461	6.3
105.03391	2.3
105.04527	2.2
105.07034	36.5
106.35783	1.2
107.04958	16.4
107.08612	17.8
109.02899	18.4
109.06513	7.5
109.10162	8.2
111.04443	11.7
111.08075	11.0
113.06004	3.3
115.05447	10.1
116.06244	2.1
117.07034	17.9
119.04940	7.4
119.08593	23.1
121.02897	9.5
121.06514	13.0
121.10139	11.9
123.04458	7.0
123.08083	5.2
123.11732	2.1
125.02336	1.6
125.06001	1.6
125.09649	11.0
127.03902	4.1
128.06216	6.0
129.07016	18.6
131.04935	12.9
131.08574	21.1
133.06494	14.1
133.10172	10.2
135.04442	3.7
135.08086	5.8
135.11688	6.8
137.02335	7.5
137.05986	4.8
137.09650	3.3
141.07005	7.4
142.07790	5.2
143.08559	7.3
144.05745	1.8
145.06488	20.7
145.10165	10.2
147.04424	12.0
147.08037	10.4
147.11696	15.3
149.05960	7.4
149.09656	10.0
151.03900	1.5
151.07571	1.5
152.06174	1.2
153.07036	2.9
153.09140	1.4
153.12781	2.5
155.06067	1.4
155.08562	6.8
157.06494	8.1
157.10167	11.9
158.07291	2.4
159.04439	3.6
159.08063	8.3
159.11742	2.3
160.05260	7.3
161.06000	20.0
161.09630	4.9
163.07562	2.4
163.11189	12.7
165.05537	2.4
165.06984	2.3
165.12764	3.2
167.07256	1.1
167.08630	3.2
169.06473	2.2
169.10184	4.1
171.04446	3.2
171.08061	7.2
171.11725	2.8
173.06000	29.2
173.09584	5.8
174.06810	7.2
175.03952	3.1
175.07626	6.5
175.11198	10.3
177.05513	2.1
179.08540	2.1
181.06482	2.9
181.10092	2.8
181.12268	5.0
183.08058	3.8
183.11717	2.8
185.06013	3.2
185.09651	3.9
185.13327	2.5
186.06821	2.4
187.07529	14.7
187.11165	2.2
189.05486	28.3
189.09099	2.8
189.11198	2.6
190.06305	1.7
191.07053	1.7
191.10707	4.4
193.10400	2.5
193.12244	29.2
195.08107	3.1
195.11687	2.3
197.05981	1.7
197.09637	3.2
197.13345	2.0
199.07610	4.1
199.11188	1.7
199.14879	1.5
200.08310	1.4
201.09137	3.4
203.06990	1.7
203.10643	2.4
203.14307	1.6
205.12245	2.9
207.13770	1.5
209.11668	1.9
209.13443	2.3
211.07603	2.2
211.11354	2.9
211.13266	31.9
213.09169	3.2
213.12677	3.4
215.10680	1.1
221.09584	1.1
225.09172	1.6
227.12613	8.6
227.14748	2.1
229.12279	1.8
231.13913	1.7
237.12773	3.6
239.10712	1.5
239.14371	1.6
241.12283	2.5
245.15581	2.4
249.14893	1.3
253.12180	2.0
255.13762	10.6
257.15375	7.6
259.13321	2.2
265.12314	2.5
267.13828	1.6
267.16049	10.2
271.13303	2.9
273.14886	25.5
283.13110	14.6
285.14777	11.7
285.17496	18.6
289.14313	9.5
291.15897	1.3
295.16980	2.0
297.14966	1.7
299.16418	1.6
301.14310	96.5
303.15961	7.3
315.16052	2.0
319.15414	15.6
323.16660	2.7
337.16592	1.8
339.15854	2.7
341.17459	3.9
345.17056	2.4
347.18311	1.5
357.17145	5.7
359.18784	2.8
367.22723	1.5
375.18057	24.4
385.23715	3.0
393.19110	8.5
403.25491	1.4
447.26111	3.0
459.27441	5.4
465.26196	2.5
475.25162	1.6
477.28705	3.5
493.25793	7.0
511.27032	4.6
525.28766	1.7
529.28009	3.5
539.29816	3.4
543.29736	3.9
549.28296	1.8
555.29797	3.3
557.31042	3.8
567.29468	14.5
573.30591	24.3
585.30609	91.3
603.31677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.68310	0.5
67.05492	0.7
69.03384	1.8
71.10878	1.0
71.11226	1.0
73.02897	0.8
81.03371	0.7
85.02869	2.4
93.80962	0.5
94.06531	0.8
97.02867	1.0
98.97563	0.9
108.08125	12.6
109.02811	0.9
110.06039	1.0
122.06060	2.9
123.04430	2.8
123.06795	0.8
124.07584	3.1
125.02333	1.4
134.06003	8.7
136.07567	2.7
137.06009	1.1
137.08322	1.3
138.05487	1.4
139.03893	6.7
140.07068	26.3
147.06711	1.2
148.07568	11.6
150.05435	2.0
152.07077	25.8
153.07863	1.2
154.08534	0.8
160.07513	0.7
163.03906	0.6
164.07001	0.8
167.07024	1.7
174.09154	0.9
176.06984	3.7
184.07565	1.6
185.08369	1.2
186.09189	3.7
194.08142	0.8
198.09097	1.2
202.08644	2.0
212.07132	0.7
216.10179	1.3
218.08035	0.9
226.08684	3.1
228.10220	0.9
230.08119	6.5
244.09682	3.9
254.08133	8.9
255.09018	0.8
256.09711	1.5
260.09186	1.4
262.10730	1.8
272.09183	25.5
277.03482	0.8
284.09061	1.6
290.10223	100.0
291.10449	0.9
300.08716	1.2
302.10251	1.7
303.01553	1.5
314.12115	0.8
351.74734	0.5
424.13776	4.3
436.40192	0.6
442.14963	1.3
452.15524	24.4
583.98761	0.7
604.20270	97.6
605.21021	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	605.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33839	0.2
70.19088	1.0
85.02894	0.3
98.21529	0.3
98.97618	0.3
111.25243	0.2
120.26385	0.3
121.43306	0.3
153.01886	0.4
185.04257	0.3
243.96080	0.3
257.07968	0.5
258.03235	0.2
260.78247	0.3
341.71466	0.3
393.13220	0.5
409.13058	0.3
411.14294	1.2
427.13690	3.1
442.16315	0.7
443.16852	4.2
461.16388	0.3
484.18262	0.3
545.23260	0.3
554.43573	0.3
605.22052	100.0
606.22235	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80651	0.3
56.96538	0.3
62.21468	0.2
63.34158	0.3
64.56657	0.3
70.07861	0.5
70.08278	1.0
83.19547	0.3
85.02892	0.5
91.05449	0.3
91.88706	0.3
95.74982	0.3
98.97598	0.4
112.55349	0.3
119.08588	0.3
121.10162	0.4
123.04484	0.6
137.05981	0.4
139.03891	0.6
151.03897	0.3
167.07103	0.5
185.04233	1.1
189.05232	5.9
196.36304	0.3
205.04822	0.4
232.05363	0.4
245.07774	0.3
249.11328	0.3
257.33014	0.3
269.14053	0.3
289.10294	0.3
301.49008	0.3
303.05142	0.5
309.09439	0.6
413.18375	0.4
427.13580	2.3
442.15909	1.4
443.16745	3.1
545.22803	1.9
605.22046	100.0
606.22510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.5
54.87487	3.4
55.01871	11.6
55.05521	35.4
57.03430	11.5
58.05589	3.3
65.03940	5.1
65.07446	3.6
67.05511	73.2
69.03429	13.6
69.07070	17.9
71.04987	12.5
71.05400	3.3
71.73611	3.8
73.39795	3.3
79.05497	58.9
81.02984	6.0
81.03430	80.3
81.07070	100.0
83.04978	17.7
83.08626	33.0
85.02930	23.7
91.05495	66.8
91.35854	3.4
93.07049	54.5
95.04982	54.8
95.08614	33.8
97.02899	13.4
97.06538	14.3
97.10189	12.8
99.04456	5.4
103.05503	7.0
105.04526	4.2
105.07042	48.3
107.04976	23.4
107.08607	38.6
109.02882	25.2
109.06532	7.1
109.10142	14.2
111.04450	16.0
111.08070	6.2
115.05465	5.1
117.07008	21.2
118.18217	3.3
119.04975	7.5
119.07841	4.9
119.08573	28.7
121.02932	4.2
121.06525	17.5
121.10157	22.1
123.04453	11.9
123.08092	5.4
123.11694	6.8
125.05975	3.7
125.09637	15.6
127.03877	6.2
129.07002	18.0
131.04941	11.4
131.08598	28.4
133.06490	11.2
133.10155	22.6
135.04591	5.4
135.08047	9.3
135.11690	15.3
137.02528	3.6
137.05995	6.8
141.06956	6.3
143.08569	10.9
145.06500	12.4
145.10147	13.1
147.04411	10.2
147.08070	10.8
147.11678	22.9
149.05943	10.0
149.09578	7.0
149.13293	15.8
155.08586	8.1
157.06532	8.8
157.10159	15.9
159.11691	18.2
161.05995	14.3
161.09581	6.4
163.11156	12.4
165.12772	7.3
167.08644	4.6
169.10121	6.1
171.08081	7.2
171.11711	7.4
171.40770	4.5
173.04486	6.0
173.05949	8.0
173.09622	4.5
173.13347	4.8
175.07559	4.4
175.11237	9.9
175.14705	4.1
177.12830	6.4
181.10120	5.1
183.08092	5.5
185.09578	4.2
185.13350	7.0
187.07729	4.1
187.11194	5.5
189.05467	12.8
189.11217	6.8
189.12708	7.8
193.12299	18.1
195.08102	5.3
195.13788	9.7
197.09840	5.1
207.13873	4.7
211.13272	9.2
227.12827	4.5
235.13283	8.2
247.13545	4.0
249.87744	3.9
255.13878	7.5
257.15393	8.1
259.13449	5.1
261.14957	4.6
267.15912	9.5
269.17493	30.2
271.13644	4.4
273.14822	34.4
283.13242	9.4
289.14352	6.9
301.14349	37.0
303.16003	9.3
319.15402	15.2
339.18246	3.9
369.24106	4.8
375.18063	12.6
393.19092	16.1
411.32236	7.5
479.29999	7.5
527.30011	8.9
541.31390	8.2
545.30731	7.1
551.30115	6.9
557.30902	11.9
569.31055	46.8
587.32275	45.0
605.33258	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2362
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
50.16593	0.3
71.27180	0.7
90.97293	0.3
111.04182	0.4
123.03658	0.3
136.07605	0.4
137.05997	0.7
137.11816	0.3
185.04236	0.3
189.05237	19.8
190.05994	1.8
203.02223	0.3
217.18559	0.3
277.10519	0.4
303.05020	0.7
422.62589	0.4
429.15131	2.2
444.17538	2.5
445.18350	14.2
588.19812	0.3
606.50488	0.3
607.23615	100.0
608.23969	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.83566	0.2
56.78988	0.2
59.81494	0.2
65.37457	0.2
65.62548	0.2
67.05478	0.2
70.11246	0.4
70.11635	0.6
79.05476	0.4
93.07047	0.3
105.06982	0.3
106.06538	0.3
172.03938	0.3
324.15060	0.3
374.15457	0.4
375.15967	0.4
376.17227	0.3
386.16150	0.4
387.16183	0.5
388.16852	0.9
389.17670	2.4
390.18622	1.2
391.19202	1.0
396.35291	0.3
401.17615	0.5
402.14203	0.6
402.18677	1.1
403.15619	0.5
403.19431	4.5
404.20142	1.8
405.20920	2.9
407.22971	0.3
415.19775	0.5
416.16434	0.9
416.20752	0.5
417.16382	4.8
417.21130	1.7
418.16779	1.1
418.21698	1.0
419.17722	0.4
419.22479	6.2
420.23254	0.8
430.17865	1.0
431.18326	7.8
432.19217	3.6
433.19894	3.3
444.19339	0.5
445.20068	5.8
446.21024	7.4
447.21762	8.0
448.23001	0.4
459.17215	0.8
459.21942	1.7
460.18127	0.7
460.23456	0.4
461.18924	1.2
462.24698	0.4
463.20728	0.3
463.25656	0.4
473.18619	0.4
473.23517	1.0
474.20450	4.9
475.21054	4.7
477.22882	0.9
478.23828	0.6
486.20297	0.3
487.21390	1.4
488.21970	0.4
490.23889	0.5
491.19962	2.7
501.22537	1.1
504.21591	0.3
505.22644	0.8
506.23273	0.4
519.24103	17.4
529.22247	0.4
547.23303	13.6
548.23584	0.5
551.26208	0.6
561.24854	0.5
565.24902	0.3
579.26019	7.0
607.25488	100.0
608.25946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91866	0.3
66.98828	0.3
67.28306	0.3
69.51942	0.5
69.52359	1.6
73.14819	0.3
123.19027	0.3
124.76211	0.3
129.21841	0.3
140.14218	0.3
188.38452	0.3
234.44205	0.3
247.12106	0.3
387.15857	0.7
388.16708	0.6
389.17474	1.6
395.50134	0.3
401.17688	0.4
402.18280	0.9
403.19290	3.8
404.19913	1.6
405.20880	1.7
415.19278	1.0
416.19955	1.2
417.21255	4.0
418.21704	2.4
419.22458	3.9
430.17163	0.6
431.18130	8.3
431.23563	0.5
432.18652	1.6
433.24051	8.8
434.24640	1.4
444.19058	0.9
445.19818	11.0
446.20862	5.0
447.21710	4.2
458.21255	0.4
459.21405	4.9
460.22549	10.1
461.23373	14.0
462.20221	0.4
473.23593	3.3
474.24088	1.1
477.22934	0.9
487.25192	2.2
488.25870	0.8
489.22800	0.4
491.24893	0.5
492.25430	0.6
505.21899	2.6
506.26581	0.6
515.24945	0.4
518.23767	0.6
519.24426	1.1
519.27148	1.2
532.24683	0.8
547.27069	41.5
575.25684	0.5
578.25317	0.5
579.29968	0.6
607.29169	100.0
608.29382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.41379	0.2
66.12770	0.2
69.76823	0.3
70.78863	0.6
77.58560	0.2
118.12408	0.3
142.72385	0.3
171.73611	0.2
209.75500	0.2
251.62958	0.2
295.87958	0.3
306.70959	0.3
319.34717	0.3
389.17685	0.4
401.18073	0.4
402.18527	0.5
403.19254	1.6
404.19995	0.3
405.20773	0.6
416.14935	0.3
416.20285	0.4
417.21439	1.6
418.21759	1.3
419.22382	2.2
430.17593	0.4
431.18259	4.5
431.24115	0.3
432.19409	0.7
433.24036	4.1
434.24881	0.4
444.23389	0.4
445.19775	4.5
446.20905	2.3
447.21899	2.7
459.21634	2.5
460.22488	5.9
460.28262	0.4
461.23380	5.9
462.22223	0.3
473.23822	1.3
474.24316	0.5
477.22849	0.3
487.24905	1.0
491.24731	0.3
492.25287	0.4
505.21558	1.5
506.27014	0.4
515.24457	0.4
518.23010	0.3
519.24396	0.8
519.27063	0.8
547.27057	16.6
575.26477	0.6
578.24841	0.4
579.29395	0.3
607.29144	100.0
608.29626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.7
55.01865	3.4
55.05512	16.4
57.03440	7.2
57.07082	1.6
60.51345	1.4
65.03937	4.0
67.05507	55.0
69.03428	15.0
69.07072	17.9
71.01336	1.8
71.04984	5.5
71.05442	1.1
71.53804	1.5
73.10780	1.4
79.05495	39.7
81.03417	50.7
81.07053	75.5
83.04985	14.1
83.08624	11.4
85.02902	7.7
85.06542	4.7
91.05486	30.1
91.06031	0.9
93.07044	51.9
95.04959	7.8
95.08603	23.4
97.02885	9.6
97.06516	8.4
97.10154	1.6
99.04443	4.2
99.08098	3.3
100.02311	1.2
102.69842	1.2
105.07036	12.0
107.04994	4.3
107.08595	25.9
109.02857	7.7
109.06539	5.0
109.10174	4.2
109.36044	1.4
111.04444	8.7
111.08093	6.3
117.07043	10.7
119.08566	9.5
121.06489	4.6
121.10133	12.6
123.04516	1.5
123.08102	1.7
123.11738	3.7
127.03902	7.4
129.07021	3.2
131.08578	8.3
133.10132	10.3
135.08052	2.4
135.11681	9.8
137.06015	1.5
139.04019	1.7
143.08633	2.8
145.06502	1.8
145.10100	3.1
147.11699	9.0
149.13268	22.3
157.10107	2.7
159.11699	11.9
165.12753	4.0
171.11765	1.4
177.12778	6.3
182.69632	1.3
183.06433	1.5
195.13803	17.0
196.61140	1.3
213.14865	3.4
267.16055	4.0
269.17413	12.2
275.16245	1.6
287.04385	1.3
297.16931	1.7
321.17160	6.2
339.17929	12.3
377.19778	3.8
379.78528	1.7
395.20657	15.6
445.30484	1.5
463.30502	12.3
501.20306	1.7
589.33643	4.2
607.34869	100.0
608.35382	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05513	1.1
59.61293	0.8
62.73948	0.8
67.05511	5.7
69.07089	1.9
70.10393	3.5
79.05500	4.8
81.07049	3.9
91.05482	3.4
93.07039	5.1
95.08618	3.7
105.07047	2.6
107.08607	2.6
117.07025	0.9
118.08662	0.9
119.08621	2.6
121.10122	1.3
123.11755	1.0
131.08565	2.9
133.10167	1.1
135.11707	1.5
143.08617	1.7
145.10170	2.8
149.09721	1.0
149.89339	0.9
159.11746	1.4
173.13383	1.1
195.17947	0.9
229.19426	1.1
237.13914	1.2
257.18954	1.3
275.20068	2.9
282.37036	0.9
326.67407	1.1
331.22867	0.9
376.17184	1.5
385.86826	1.0
389.18814	0.9
390.18628	1.0
391.19339	2.2
392.20007	1.9
403.19354	1.5
405.20908	3.0
406.21494	2.4
407.22360	2.6
413.18268	1.1
414.18311	1.1
415.19324	2.4
419.22916	1.5
421.23999	3.6
429.20703	3.2
430.21939	1.6
430.64346	0.9
433.20279	2.0
443.22531	1.7
444.23016	2.1
447.18005	2.4
457.24036	1.5
459.21896	3.2
460.22531	1.6
461.19452	6.3
462.20657	2.7
463.20755	1.5
475.21115	8.2
476.21930	6.3
477.22440	5.0
485.23444	10.6
486.20612	3.1
487.25568	1.2
489.22812	4.5
493.22034	1.2
497.23425	1.3
499.21692	2.2
500.22202	2.0
503.24414	6.0
504.25415	1.2
513.23230	1.3
515.24487	9.7
521.26007	4.4
531.23999	15.9
541.22528	1.4
549.25195	3.5
550.25854	5.1
559.23535	7.9
577.24622	2.0
591.26086	24.8
609.27094	100.0
609.43335	10.9
610.27539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.6
71.53091	0.8
85.02901	1.1
97.02905	0.7
98.97592	1.0
127.03951	1.0
139.03940	0.8
145.04861	0.8
147.04565	0.7
163.03960	0.8
167.07083	0.9
189.05212	1.6
200.13297	0.7
202.15681	0.7
205.04834	2.2
219.01834	0.8
221.07826	0.8
249.15800	11.0
288.32263	0.7
383.13162	100.0
576.26038	0.8
609.21552	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	609.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03951	8.0
55.01877	6.3
55.05265	1.7
55.05513	22.0
57.03437	12.8
57.07068	1.1
61.02905	1.4
65.03931	2.3
67.05507	43.2
69.03082	0.9
69.03433	13.7
69.07075	12.2
71.01353	3.5
71.04998	8.1
73.02930	1.4
77.03940	1.2
77.97448	0.8
79.05495	42.5
79.24206	1.0
81.03421	86.9
81.07063	33.5
83.04985	21.9
83.08622	15.2
85.02908	14.5
85.06547	2.0
91.05482	35.8
93.07047	42.8
95.04972	19.1
95.08603	12.6
97.02899	17.3
97.06527	10.4
97.10174	10.1
99.04456	6.1
99.08114	1.6
101.02381	1.3
103.05467	1.3
105.04556	1.4
105.07038	19.6
107.04956	8.1
107.08598	26.8
109.02878	12.5
109.06522	4.1
109.10160	10.4
111.04448	14.6
111.08074	9.4
113.05988	2.2
115.05441	2.1
117.07006	7.4
119.04971	1.8
119.08592	16.8
120.88216	0.9
121.02883	1.5
121.06479	5.2
121.10151	11.8
123.04420	1.2
123.08068	2.4
123.11714	1.2
125.06016	1.3
125.09646	3.0
127.03918	9.5
129.05554	2.1
129.06996	9.4
131.04929	1.9
131.08580	9.1
133.06499	3.4
133.10139	10.8
135.08076	2.4
135.11697	25.0
137.09641	2.6
141.07048	0.8
142.07803	2.5
143.08572	2.6
145.06519	2.5
145.10138	9.8
147.04395	1.3
147.08066	3.1
147.11687	9.5
149.05981	1.4
149.09647	5.0
151.11209	2.2
153.09122	1.0
153.12781	2.9
155.08556	2.1
157.06535	1.2
157.10139	7.1
159.08118	1.1
159.11752	2.3
161.09567	1.0
163.11188	10.4
165.12778	2.3
169.06480	1.0
169.10126	1.6
173.04510	1.7
175.11180	8.1
181.09943	1.1
181.12241	11.6
183.06569	1.4
183.11780	1.6
187.11253	1.5
189.11198	1.7
189.12730	1.3
191.10721	2.9
193.12257	24.0
195.11702	1.1
199.13203	2.0
201.12842	1.4
203.14235	1.0
211.13295	42.1
213.12752	1.7
219.13841	1.2
225.12875	1.4
227.12709	6.3
229.14403	1.9
231.13850	1.7
247.13316	1.1
248.85901	0.9
249.14914	2.2
253.14436	2.6
255.13634	1.7
255.15950	14.2
261.14987	1.5
267.15924	6.7
271.13367	1.0
273.14899	1.3
277.14511	1.5
283.15414	1.7
285.17050	3.6
289.14490	2.6
297.17242	1.0
301.14447	1.2
307.15472	2.4
317.24075	1.0
319.15671	1.6
325.16412	6.1
329.20914	1.4
337.16522	3.3
348.73270	0.9
355.17621	6.7
355.22333	1.9
363.17871	2.2
373.23883	1.7
381.19080	4.9
393.19464	1.4
399.20386	2.1
403.24750	1.3
411.19891	4.4
421.25906	2.4
429.26337	1.9
447.27505	14.6
463.26740	1.2
465.28500	17.6
481.27618	1.1
501.22256	1.0
527.30133	1.1
531.29492	1.1
555.29401	1.3
573.30481	1.7
591.31647	7.6
609.32709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02374	0.6
53.03947	1.4
55.01876	1.2
55.05515	10.5
57.03436	3.7
57.07094	1.1
61.98223	0.5
62.20138	0.6
65.03926	1.0
65.76211	0.5
67.05508	20.4
69.07075	9.0
70.09337	1.0
70.09720	2.3
71.04977	1.0
79.05497	13.1
81.07063	22.4
83.04968	0.7
83.08624	6.1
85.06538	1.1
91.05487	12.1
93.07047	15.2
95.04975	1.3
95.08613	18.8
97.06543	1.8
97.10201	3.3
103.05443	0.7
105.07033	12.7
107.08601	9.1
109.10174	6.8
111.08085	1.2
115.05469	1.4
117.07025	6.6
119.08588	12.8
121.10161	7.2
123.08074	1.1
123.11739	1.9
125.09621	1.1
128.06227	2.1
129.07011	9.9
130.07797	0.5
131.08568	12.0
133.10147	8.6
135.11682	4.5
141.06985	3.5
142.07799	3.1
143.08572	11.6
144.09320	0.7
145.10126	11.4
147.11670	5.2
149.13295	1.8
153.07042	0.9
154.07816	0.9
155.08563	10.1
156.09322	1.8
157.10135	12.0
159.11703	8.3
161.13245	3.0
163.14827	0.7
165.07050	1.2
167.08556	5.5
168.09352	1.3
169.10132	12.8
171.11713	9.8
173.13286	5.4
175.14870	1.3
179.08582	2.2
180.09389	0.9
181.10110	5.5
182.10951	1.6
183.11696	10.9
183.13257	0.9
185.13248	7.4
187.14841	2.6
189.16438	1.3
193.10187	2.0
194.10954	1.1
195.11717	8.3
197.13249	9.5
199.13220	0.9
199.14845	5.7
201.16479	1.0
203.18063	0.8
205.10191	0.9
207.11650	2.6
208.12488	0.9
209.13252	6.6
211.14828	5.9
212.15779	0.5
213.16457	4.1
219.11783	1.1
221.13257	2.9
222.14081	0.9
223.14824	4.3
225.16449	3.9
227.17992	2.3
229.19600	0.6
233.13304	0.9
234.14091	0.6
235.14763	3.1
236.15442	0.6
237.16405	3.0
239.18015	2.4
241.19727	1.3
247.15121	0.7
249.16447	1.8
251.17987	2.2
253.19644	1.3
255.17470	0.6
255.21268	0.7
261.16360	0.8
263.18069	1.3
265.19550	1.5
267.21155	0.7
277.19409	0.8
279.21030	1.2
281.22528	0.6
295.24503	0.7
296.97336	0.7
297.22131	0.7
299.23578	0.8
307.20407	0.6
311.23669	0.6
313.21725	0.9
321.22119	0.7
323.23663	1.2
325.25192	0.7
327.23544	0.7
335.23688	0.6
337.25522	1.2
339.23062	1.0
349.25195	1.1
351.26886	1.9
353.24835	0.6
361.25061	0.7
363.26743	1.3
365.28345	1.2
369.27933	0.7
377.28433	1.5
379.30170	1.2
391.30334	1.2
403.30664	0.6
405.31409	0.8
407.28943	0.8
421.30701	0.7
425.30316	1.1
447.32315	1.6
475.35645	0.8
497.36896	0.6
499.39417	1.5
515.37793	0.7
517.40491	12.4
521.36255	0.8
535.41602	6.3
539.36896	0.9
553.42444	1.3
573.43201	2.1
591.44067	13.9
609.45142	100.0
610.45453	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	610.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93827	0.3
55.76701	0.3
71.42888	0.3
91.05550	0.4
92.04988	0.4
102.68985	0.3
123.04432	0.3
132.05566	1.5
133.06358	0.5
139.03883	0.4
160.05058	93.1
169.50914	0.3
192.07672	100.0
224.85081	0.3
229.07361	0.4
242.56715	0.3
285.51324	0.3
304.46555	0.3
327.30389	0.4
516.83734	0.3
610.21594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1396
Annotation	56343-26-1
Peak:m/z	Relative Intensity
55.05510	0.2
56.66206	0.2
57.03438	0.2
65.03942	1.1
67.05497	0.4
68.99772	0.2
69.03431	0.6
69.07080	0.7
70.46983	0.6
71.05024	0.2
76.93219	0.1
79.05483	0.2
80.33427	0.2
81.03435	0.4
81.07064	1.3
83.08613	0.3
84.99303	0.1
85.02907	0.7
85.06513	0.2
91.05485	8.9
93.07040	0.5
95.04953	0.2
95.08603	0.9
97.02839	0.3
97.10184	0.2
99.04488	0.2
105.07029	0.3
107.08595	0.4
109.02863	0.5
109.10159	0.7
111.00801	0.5
111.08102	0.2
119.04948	21.7
120.05279	0.2
121.02898	0.4
121.10184	0.3
123.11716	0.4
127.03905	0.5
134.68484	0.2
135.11749	0.2
137.02336	1.5
137.13287	0.3
147.04414	100.0
148.04768	0.3
151.03944	0.2
153.01843	1.9
153.12730	0.2
161.06058	0.2
163.03923	0.6
165.01822	1.1
165.05518	0.4
165.09129	0.2
166.02538	0.2
167.07079	0.4
173.06015	0.2
183.02924	0.3
183.04332	0.2
191.07170	0.2
201.05479	0.8
213.10376	0.2
223.88390	0.2
229.04939	1.9
247.06090	0.3
257.04453	1.2
274.04932	0.2
274.15759	0.2
285.04010	0.5
291.08600	0.9
291.26797	0.4
303.05002	42.5
304.05179	0.2
309.09692	5.8
309.28046	0.4
327.29013	0.3
345.06024	0.4
410.31982	0.2
437.73874	0.2
535.62555	0.2
611.32489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01876	0.2
55.05502	0.5
57.03432	0.2
62.01617	0.2
65.03944	1.4
67.05504	0.7
68.99789	0.3
69.03438	1.5
69.07077	0.7
69.36872	1.5
71.04987	0.3
77.36059	0.2
79.05502	0.5
80.83998	0.2
81.03415	0.6
81.04932	0.2
81.07066	1.3
85.02914	1.1
85.06537	0.3
88.11258	0.3
91.05489	12.1
93.03418	0.2
93.07076	0.9
95.04974	0.6
95.08620	1.3
97.02891	0.5
97.06516	0.4
97.10151	0.2
99.04453	0.2
100.50433	0.2
105.07035	0.7
107.04970	0.5
107.08598	0.7
109.02883	0.7
109.10145	0.4
111.00808	0.6
111.08096	0.2
117.07056	0.3
119.04952	27.9
119.08571	0.4
121.02866	0.5
121.10153	0.5
123.04492	0.4
123.11719	0.4
127.03928	1.0
133.06480	0.3
133.10110	0.4
135.04448	0.3
135.08061	0.2
137.02344	2.3
137.05975	0.7
137.09561	0.3
137.13309	0.3
139.03938	0.3
141.60449	0.2
143.08650	0.2
145.04999	0.2
145.06403	0.2
145.10126	0.3
147.04419	100.0
148.04771	0.2
149.02417	0.3
149.13260	0.3
151.07561	0.3
153.01836	2.8
153.12718	0.2
157.10147	0.3
159.11729	0.2
161.05984	0.4
161.72867	0.2
163.03918	0.7
165.01854	1.4
165.05539	0.5
167.07056	1.1
173.06013	0.3
177.16432	0.2
179.03418	0.2
181.05008	0.4
183.02951	0.5
183.04431	0.3
183.11693	0.2
187.03952	0.3
187.07480	0.2
191.07164	0.3
193.08580	0.3
201.05452	1.6
205.04967	0.3
229.05002	2.9
231.06606	0.4
232.03830	0.2
247.06070	0.5
257.04449	1.4
273.07516	0.3
274.04736	0.5
285.04007	0.7
287.05460	0.3
291.08655	1.3
303.05014	63.3
304.05234	0.3
309.09781	1.5
327.05103	0.2
345.06061	0.4
421.09192	0.6
425.64664	0.2
431.31177	0.2
560.08734	0.2
611.32959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
50.25613	0.1
53.03945	0.3
55.01862	0.2
55.05502	0.2
61.02921	0.2
65.03933	1.3
67.05505	0.2
69.03431	2.4
69.07072	0.3
69.33134	0.3
69.33530	1.0
71.04989	0.2
73.02912	0.2
79.05478	0.3
81.03421	2.8
81.07045	0.5
85.02910	1.1
91.05484	8.8
93.03418	0.1
93.07038	0.4
95.04994	0.3
95.08621	0.4
97.02902	0.6
98.88437	0.1
99.04446	0.3
105.07030	0.4
107.04988	0.4
107.08578	0.3
109.02872	1.1
109.10133	0.3
110.80752	0.1
111.00829	0.3
119.04948	21.9
119.08575	0.3
121.02881	0.4
121.10165	0.2
123.04469	0.2
125.09647	0.2
127.03925	1.2
135.11691	0.1
137.02332	0.7
137.06035	0.2
145.02838	0.2
147.04414	100.0
148.04736	0.2
151.03911	0.2
153.01846	1.1
161.06082	0.2
163.03928	1.6
165.01871	0.5
165.05478	3.2
167.07083	0.7
173.06017	0.3
175.07596	0.2
177.05424	0.2
181.04997	0.2
183.03043	0.3
201.05479	0.4
229.05051	1.0
231.06691	0.2
257.04483	0.8
274.04843	0.2
285.03958	0.3
287.05588	0.4
291.08649	5.2
303.05008	19.2
309.09671	2.9
311.74631	0.2
345.06039	0.2
390.98593	0.1
421.09103	0.2
449.08572	0.2
598.34155	0.2
611.13989	0.2
611.23456	0.2
611.33252	0.5
615.00171	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01866	0.4
55.05501	0.2
57.03191	0.2
57.03439	2.5
57.45147	0.1
59.04985	0.2
61.02921	0.7
63.09127	0.2
64.10906	0.1
68.99796	0.3
69.03434	2.1
70.58695	0.4
71.01361	0.2
71.04993	10.8
73.02920	1.1
75.04469	0.5
81.03419	1.1
83.04987	0.8
85.02907	17.5
87.04460	0.6
91.03953	0.4
97.02895	2.0
99.04460	0.4
101.06021	0.2
109.02872	1.0
111.00788	0.7
111.04435	0.6
121.02860	0.6
127.03934	1.3
129.05486	3.6
133.06474	0.2
137.02342	2.7
145.04958	1.4
147.06509	1.2
149.02357	0.4
153.01834	2.3
161.05971	0.2
163.03917	0.6
163.06020	0.2
164.07076	0.8
165.01828	1.6
165.09094	0.1
166.02620	0.2
173.06020	0.3
183.02890	0.6
183.04407	0.3
195.02951	0.3
201.05505	1.1
229.04956	3.4
247.05984	0.6
257.04462	1.9
269.16373	0.2
274.04715	0.5
285.03922	1.0
287.17563	0.4
299.05630	0.2
303.04990	100.0
304.05341	0.6
315.04956	1.2
327.04877	0.4
345.06015	2.1
369.05939	0.5
374.26956	0.2
413.08664	0.3
429.08020	0.1
431.10019	0.3
433.33972	0.2
447.08899	0.2
449.10800	0.5
465.04199	0.3
465.10306	2.9
611.21130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03951	0.3
55.01868	0.2
57.03439	2.0
61.02920	0.6
69.03435	1.3
69.19399	2.4
71.04995	9.1
73.02921	0.4
78.24621	0.2
81.03406	0.3
83.04963	0.5
85.02906	14.1
87.04459	0.3
97.02887	1.4
109.02863	0.6
111.00774	0.5
111.04421	0.5
118.57708	0.2
119.41891	0.2
121.02873	0.5
127.03916	0.9
129.05482	2.9
137.02348	2.6
145.04955	1.0
147.06519	0.7
149.02396	0.4
153.01826	2.1
163.03957	0.3
165.01822	1.6
183.02905	0.6
201.05467	1.0
229.04982	3.1
246.05400	0.3
247.06113	0.6
257.04440	2.0
274.04785	0.4
285.03946	0.9
303.04993	100.0
304.05365	0.7
348.39182	0.2
422.50586	0.2
425.88849	0.3
465.10336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01868	1.4
55.05512	5.1
57.03430	1.1
57.07078	3.1
59.04997	0.9
61.02918	0.9
61.58482	0.5
65.03930	1.3
67.05504	7.3
68.99767	0.6
69.03431	9.6
69.07068	18.6
71.05000	2.6
71.08627	0.8
71.54462	1.0
73.02910	1.2
79.05489	5.0
81.03420	4.4
81.07056	29.2
83.04971	1.5
83.08617	6.5
85.02900	10.3
85.06536	3.3
87.00821	3.1
91.05477	13.1
93.07050	10.2
95.04967	2.6
95.08608	23.5
95.09065	0.5
97.02884	4.4
97.06538	3.0
97.10158	2.2
98.97575	0.6
99.04462	1.7
99.08089	2.2
103.13017	0.5
105.01865	2.0
105.07021	4.2
107.04978	1.2
107.08592	10.8
109.02869	3.8
109.06474	0.8
109.10155	9.1
111.08090	4.9
111.11704	5.4
113.09606	0.7
115.07555	0.9
117.07056	0.7
119.04945	24.0
119.08560	3.5
121.02859	0.9
121.06509	1.0
121.10139	8.2
123.04430	1.9
123.08086	1.3
123.11697	11.6
125.09573	1.1
125.13254	1.3
127.03912	8.1
127.11227	1.6
131.04878	1.1
131.08575	0.6
133.06468	0.7
133.10136	2.5
135.08086	1.1
135.11690	5.0
137.02361	1.5
137.05989	2.4
137.09604	1.2
137.13258	9.1
139.11166	1.8
143.08527	0.7
145.02856	0.6
145.04958	2.1
145.10127	1.3
147.04410	100.0
147.11685	2.5
148.04747	2.4
149.13245	9.1
151.07497	1.3
151.14781	1.9
153.01860	2.9
153.12721	5.9
155.14311	2.2
157.10109	0.9
159.02907	1.1
159.04343	0.6
159.11772	0.7
161.06007	1.2
161.09607	1.1
161.13280	2.2
163.03937	1.8
163.11224	0.8
163.14815	1.7
165.05522	1.3
167.03279	0.6
167.07095	3.7
167.08350	0.9
167.14307	1.4
169.10124	0.9
171.13779	2.1
173.15334	1.5
177.05464	1.0
181.04929	1.4
185.15427	0.7
189.05362	1.1
201.05460	1.1
205.08672	0.6
207.06340	0.9
209.19113	0.7
213.04045	0.7
229.04985	1.8
231.04926	1.4
239.20253	0.6
248.75912	0.6
273.25708	1.4
277.15521	0.6
279.26703	3.5
287.05530	0.7
291.08612	2.7
291.26862	7.1
297.27823	3.5
303.04984	39.6
304.05261	1.1
309.09784	2.9
309.27866	18.3
315.28912	2.0
327.05026	1.7
327.29004	3.4
327.32214	0.6
345.05807	0.5
345.30020	3.5
370.97736	0.6
381.12079	0.6
413.30734	0.9
421.09113	1.4
442.42215	0.5
513.34552	0.8
521.31055	1.0
539.32214	1.0
557.32861	0.6
593.32501	0.8
601.18646	0.6
611.13959	1.2
611.23810	1.9
611.33942	4.7
617.95752	0.7
638.47186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
51.26143	0.7
53.03936	3.6
55.01876	0.8
55.05264	1.4
55.05513	17.5
56.72834	0.8
57.03444	5.4
57.07071	3.5
61.81604	0.7
65.03928	1.8
67.05507	45.2
69.07071	16.6
71.04988	1.2
71.08623	1.0
79.05497	34.7
81.07060	44.9
83.04974	2.0
83.08616	7.6
85.06552	1.7
91.05482	30.7
93.07045	35.8
93.07636	1.8
95.04987	3.7
95.08607	37.4
97.06517	2.1
97.10162	3.4
98.20676	1.3
99.08091	2.0
105.04567	1.1
105.07038	30.9
107.08598	22.8
107.72887	0.8
109.06532	1.4
109.10157	16.8
111.08067	2.0
113.09666	1.0
115.05519	1.0
117.07025	13.2
119.08585	26.0
121.10147	18.3
123.08083	1.4
123.11716	4.5
128.06262	1.7
128.90280	0.8
129.07016	7.5
131.08566	20.1
133.10138	20.3
135.08107	1.3
135.11700	12.2
137.09692	1.0
137.13278	1.2
141.06984	2.3
142.07828	1.9
143.08548	11.0
145.10132	19.8
147.11713	17.9
149.09656	1.3
149.13271	8.2
151.11147	1.5
155.08549	3.7
156.09337	0.9
157.10129	9.9
159.11690	15.4
161.13272	10.9
163.11139	1.1
163.14873	3.6
167.08557	1.3
169.10149	6.0
171.11693	9.7
173.13274	13.3
175.14781	6.3
177.12759	1.0
177.16383	1.1
179.14369	1.2
181.10175	2.6
183.11662	5.0
185.13234	8.6
187.14873	5.1
189.16360	2.1
193.15817	0.9
195.11690	1.7
197.13272	3.4
199.14841	5.7
201.16446	3.3
203.14590	0.7
203.17949	0.9
209.13329	2.2
211.14862	3.0
213.16351	2.0
215.17975	2.8
223.14943	1.3
225.16508	2.7
227.18050	1.5
231.21089	1.2
237.16388	1.6
239.18149	2.2
241.19566	7.6
243.21071	2.4
251.17935	0.8
257.19034	3.2
259.20602	16.5
261.22186	4.2
277.21716	1.8
289.21814	0.9
299.23694	1.1
315.23218	1.8
331.22552	1.6
333.24255	12.9
335.25830	24.5
337.27481	2.4
339.26846	1.1
351.26062	1.1
353.28278	1.3
422.42719	1.0
501.41296	1.0
519.42090	5.7
529.39557	1.4
537.43530	4.2
541.38995	1.4
593.45764	9.4
611.46722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01861	1.8
55.05265	1.2
55.05510	16.6
57.00113	0.6
57.03436	6.1
57.07067	2.5
59.04998	0.6
59.87575	0.6
64.22779	0.6
65.03938	3.0
65.16163	0.7
66.57015	0.6
67.05506	47.2
69.03457	0.7
69.07067	15.1
70.78497	1.3
71.04996	1.3
73.06570	0.8
79.05494	32.9
80.09634	0.7
81.07058	43.5
83.04980	1.6
83.08618	9.3
85.06537	1.8
91.05479	30.9
93.07047	38.6
95.04970	3.4
95.08607	35.6
97.06538	2.9
97.10169	4.9
99.08090	1.9
103.05453	1.4
105.04536	1.0
105.07031	33.7
107.08598	22.3
109.06503	1.3
109.10157	15.8
111.08083	1.5
115.05475	1.0
117.07024	13.4
119.08584	28.3
121.09316	1.4
121.10143	18.4
123.08109	1.3
123.11708	5.4
125.09695	1.0
128.06175	1.1
129.07004	7.1
130.07828	1.0
131.08577	21.9
133.10127	18.8
135.08102	0.9
135.11685	10.9
137.09596	1.1
137.13295	1.3
141.06995	1.7
142.07739	1.6
143.08563	12.1
145.10123	21.2
147.10515	1.2
147.11682	18.0
149.09688	1.4
149.13264	7.6
151.14877	0.9
155.08531	4.3
157.10114	11.5
159.11694	17.1
161.13263	11.3
163.14836	3.2
167.08565	1.9
169.10118	6.6
171.11681	11.8
173.13261	12.8
175.14838	5.6
177.12781	1.5
177.16386	1.4
181.10114	1.7
183.11739	4.1
185.13254	8.6
187.14828	5.0
189.16400	1.3
195.11717	3.3
197.13301	3.8
199.14734	5.7
201.16435	3.1
203.14249	0.8
203.18002	1.0
209.13220	2.1
211.14873	2.5
213.16463	4.5
215.18005	2.5
217.19667	1.0
218.90855	0.7
221.13371	1.5
223.14856	2.2
225.16400	2.2
227.18039	1.9
229.19571	1.3
231.21036	1.3
235.14784	1.0
237.16322	1.8
239.18013	2.4
241.19559	8.4
243.21233	1.8
255.21158	1.2
257.19067	4.0
257.22464	0.8
259.20572	16.6
261.22208	4.2
271.20593	1.1
277.21835	1.0
285.22128	1.0
299.23648	1.4
313.25098	1.2
315.23221	1.6
327.23349	0.7
333.24216	13.3
335.25836	22.1
337.27386	2.3
339.26706	1.2
343.26169	1.0
351.26184	1.0
353.28275	1.5
361.68423	0.9
379.29877	0.9
381.31461	1.0
435.32413	0.9
437.34198	0.8
449.33899	0.9
463.35052	0.8
489.35336	1.0
501.35229	0.9
501.41696	1.1
519.42157	5.3
529.39343	0.8
537.42932	2.8
541.39038	1.4
542.39600	1.1
593.45746	9.4
611.46686	100.0
612.46967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01866	1.8
55.05514	19.3
57.03439	4.7
57.07076	4.8
58.38400	1.3
65.03947	2.6
67.05508	40.3
68.98241	1.5
69.07072	16.5
71.08636	2.5
79.05497	27.6
81.07060	43.3
81.07526	2.5
83.04999	1.6
83.08617	8.4
85.06541	2.6
91.05483	30.6
93.07046	31.2
95.04956	2.3
95.08605	35.0
95.09168	2.7
97.06541	3.6
97.10179	4.5
98.20720	3.6
99.08118	2.0
105.07038	32.7
105.07690	2.7
107.08598	20.8
109.10166	15.8
117.07020	11.8
119.08585	23.7
121.10153	13.6
123.11722	5.0
128.06271	2.3
129.06993	9.1
131.08585	21.4
133.08580	1.8
133.10118	19.7
133.10931	1.7
135.08165	1.5
135.11694	12.5
140.12056	1.5
141.06987	3.3
142.07814	2.0
143.08568	11.0
145.10133	19.7
147.11688	18.3
149.13255	6.9
155.08606	4.5
156.09351	1.5
157.10126	10.8
159.11678	13.1
161.13277	11.7
163.14862	5.0
167.08601	2.3
169.10211	5.7
171.11710	10.4
173.13255	11.9
175.14890	4.6
181.10191	2.6
183.11774	5.4
185.13220	8.4
187.14854	7.1
189.16422	1.9
195.11769	2.8
197.13330	5.8
199.14946	6.3
201.16359	2.9
211.14861	4.0
213.16388	3.4
215.17987	2.6
223.14882	1.4
225.16408	2.2
227.18051	2.3
229.19545	1.9
239.17923	2.3
241.19620	9.1
257.19214	2.1
259.20578	15.1
261.22278	2.4
315.67969	1.6
333.24323	10.8
335.25870	15.6
409.30887	1.7
519.42163	5.8
537.42853	3.0
593.45361	8.8
611.46771	100.0
612.47260	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	612.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05806	0.5
57.03435	2.9
69.03413	0.8
69.20303	2.7
69.20734	3.1
71.04992	6.7
75.04485	0.9
79.05501	2.5
81.03436	0.9
83.04955	1.1
85.02908	10.5
91.05470	1.2
93.94342	0.5
95.04996	1.4
97.02888	1.2
99.02232	0.6
99.08090	1.6
101.51651	0.5
103.05468	2.8
105.07034	2.6
107.04958	28.6
107.08610	0.5
111.04462	1.6
115.93415	0.5
117.07075	0.7
119.04910	0.5
120.05752	1.4
121.06468	0.9
123.04411	1.4
124.05206	1.0
127.03920	1.1
129.05472	1.9
131.04941	1.4
132.25218	0.7
133.06480	1.7
135.08064	11.6
136.07576	0.6
137.05978	1.4
145.04968	0.9
145.07555	1.3
147.06564	0.8
149.05992	1.0
153.97519	0.5
154.06293	1.5
159.21678	0.5
161.05959	0.7
163.07547	35.9
164.07089	1.6
165.07420	0.6
167.07042	78.8
180.07791	2.3
181.08572	2.7
193.08627	3.5
193.15868	0.8
195.10172	27.8
207.09961	0.6
211.09648	5.8
213.11224	44.9
214.44455	0.5
223.09608	0.9
230.05432	0.6
287.14886	100.0
303.05038	10.5
304.05334	11.5
335.88348	0.6
379.17419	1.5
418.19061	0.6
612.20734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06162	3.7
53.03958	3.7
55.05514	20.2
57.03438	18.7
58.74352	3.4
64.96199	3.4
67.05173	5.3
67.05511	58.2
69.07071	17.5
69.39001	31.8
71.04993	5.2
79.05490	41.5
81.02988	6.2
81.03424	78.4
81.07064	59.0
81.80581	3.7
83.04993	7.1
83.08631	19.8
86.65475	4.6
91.05482	38.4
93.07056	54.9
95.04980	24.8
95.08617	43.6
97.06548	5.1
97.10188	7.2
105.07062	21.7
107.04955	5.7
107.08603	25.0
109.10176	22.2
117.07014	4.7
119.08584	26.0
121.10130	23.7
121.59507	3.8
123.08093	3.9
123.11716	8.3
125.09682	3.8
127.37478	3.6
129.07027	8.9
131.08591	23.7
133.10124	15.4
135.11723	14.4
140.71213	4.1
145.10123	8.7
147.11684	16.8
149.09607	7.1
149.13297	7.3
152.17381	3.6
157.10172	10.1
159.11714	7.2
161.13210	5.1
163.14774	5.8
170.35759	3.7
173.13344	7.8
187.14828	4.6
189.11258	4.8
193.12262	21.3
213.03416	3.7
227.12714	5.2
243.20943	5.6
261.22217	16.2
262.96036	4.3
267.15924	100.0
280.59824	4.3
317.24911	7.2
335.25839	81.9
435.32529	5.7
453.33630	9.2
463.67242	4.8
470.72119	4.6
527.37317	58.0
545.38611	30.5
564.36267	4.6
612.27563	11.7
612.46466	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	613.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77834	1.1
56.05318	1.3
56.96568	31.5
59.98563	1.1
65.82183	0.9
67.05498	2.3
69.07036	1.5
71.54715	2.0
71.55083	1.4
71.95250	3.9
79.05496	1.7
81.03446	1.3
81.07062	3.5
84.96033	5.5
91.05476	1.7
93.07043	1.9
97.96815	1.2
98.97588	92.6
105.07066	1.6
105.82474	1.4
110.97552	6.9
112.09964	1.1
112.99134	37.2
116.98624	31.5
121.10142	1.6
124.99131	3.2
128.98592	7.2
131.00177	41.6
133.10077	1.4
134.99623	8.2
135.00494	1.0
140.00185	8.0
140.98601	1.4
143.00175	8.6
146.99692	2.1
149.01233	25.3
149.02428	1.4
149.05986	1.3
154.01822	5.4
157.01778	1.3
158.01352	1.2
158.99654	37.1
161.01225	7.2
167.02342	2.9
170.99677	4.9
172.02840	3.5
173.01195	7.6
177.00722	36.9
182.01230	1.3
185.01219	2.9
189.00771	3.9
191.02328	5.0
195.01810	1.7
199.02788	8.5
200.02373	7.8
201.00781	2.0
203.02260	6.1
209.01175	3.8
214.03944	1.7
215.02258	3.3
217.03841	5.6
219.01753	7.2
226.04187	1.4
227.02351	2.2
233.03378	1.7
237.02820	4.3
260.04578	1.9
275.04401	18.2
293.05435	53.7
311.06525	8.7
316.07010	10.5
317.17896	100.0
334.08203	3.2
335.18942	30.6
358.20520	14.7
359.18765	1.8
377.20053	9.5
391.21692	2.9
403.21777	2.6
449.18805	1.3
497.24200	4.2
510.32297	1.3
535.25299	1.4
553.26898	79.3
613.47882	1.8
633.71820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03942	2.5
55.01889	1.1
55.05267	1.0
55.05516	14.8
57.03434	3.9
57.07073	2.6
65.03940	2.0
66.94912	0.6
67.05507	39.0
69.07072	16.6
69.07442	0.4
71.05000	0.9
71.08659	0.7
79.05495	24.0
81.07059	44.4
83.04990	1.0
83.08629	8.3
84.79816	0.7
85.06529	1.0
91.05485	19.2
93.07050	30.2
95.04983	1.1
95.08610	39.6
97.06548	2.1
97.10178	4.5
99.08118	1.9
105.04546	0.8
105.07042	18.6
107.08607	20.7
109.06541	0.7
109.10164	20.3
109.93891	0.7
111.08109	1.2
111.11706	1.0
117.07008	7.5
119.08585	17.9
121.10153	16.4
123.08105	1.0
123.11713	7.5
125.09616	1.2
129.06985	3.9
131.08566	14.2
133.10136	16.7
135.11691	12.0
137.13254	3.3
141.07034	0.8
143.08560	4.6
145.10121	14.2
147.11707	12.2
149.09587	0.8
149.13274	9.3
151.11116	0.8
151.14786	1.6
155.08568	1.0
157.10135	4.7
159.11691	13.1
161.13280	8.8
163.11176	0.8
163.14841	3.9
165.16565	0.7
169.10146	1.6
171.11713	6.2
173.13245	9.0
173.14523	1.0
175.14827	4.2
177.16475	1.9
183.11755	2.4
185.13304	4.7
187.14819	6.9
189.16409	2.8
191.17987	1.0
195.11568	0.7
197.13329	1.6
199.14894	3.2
201.16405	3.4
203.18011	1.3
209.13181	0.8
211.14919	1.3
213.16418	2.6
215.17931	1.0
217.19521	1.5
227.18120	1.5
229.19572	1.5
231.21190	1.2
237.16693	0.8
241.19568	3.0
243.21152	1.9
247.20662	0.9
257.18863	0.8
259.20630	7.0
261.22150	8.6
263.23743	1.4
264.60416	0.7
273.22229	1.3
275.20291	0.9
275.23624	1.0
287.23831	1.4
294.37430	0.8
299.23837	1.8
301.25223	1.3
305.21399	0.8
305.24710	0.9
317.24710	1.4
333.24277	5.5
335.25793	15.8
337.27371	6.7
347.25699	1.0
373.27365	0.7
395.28610	1.0
477.35013	0.8
488.04919	0.7
489.36035	1.6
503.36768	1.0
503.43069	0.9
521.43915	4.4
529.39075	1.4
531.40894	0.7
539.44922	3.2
543.40265	1.7
595.47424	13.0
613.48260	100.0
614.48749	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	613.4831
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02363	0.7
53.03948	2.1
55.01869	1.3
55.05267	1.1
55.05516	15.7
57.03445	4.3
57.07084	3.8
59.05006	0.6
61.69591	0.5
65.03941	2.5
67.05511	47.9
67.22106	0.6
69.07076	16.8
71.04993	1.7
71.08653	2.7
77.03883	0.7
79.05501	26.2
81.03461	0.7
81.07067	49.9
83.04993	1.8
83.08624	10.4
85.06535	1.7
85.63718	0.6
91.04909	0.8
91.05489	21.4
93.07050	29.5
95.04978	2.6
95.08618	45.3
97.06544	2.2
97.10194	4.4
99.08093	3.0
103.05489	0.7
105.04521	1.1
105.07041	21.3
107.04978	0.7
107.08610	19.2
109.06557	0.9
109.10167	21.1
111.08086	1.7
111.11690	1.5
115.05486	0.7
117.07025	10.0
119.08596	20.2
121.10162	19.6
123.08120	0.7
123.11718	7.3
125.09649	1.3
128.06285	0.7
129.07050	4.1
130.07855	0.7
131.08592	16.2
133.10147	16.5
135.11694	13.4
137.05980	1.1
137.13237	3.3
139.11237	0.8
141.07127	0.9
142.07797	0.8
143.08582	5.4
145.10139	15.5
147.10524	0.8
147.11687	12.6
149.09621	1.1
149.13275	7.5
151.11200	1.1
151.14818	1.2
155.08580	1.5
157.10124	5.6
159.11720	11.7
161.13275	10.9
163.11221	1.4
163.14809	3.9
165.12790	0.7
169.10129	1.2
171.11679	5.9
173.13268	8.1
175.14824	5.0
177.16417	1.6
179.14308	3.5
179.18102	0.6
181.10143	0.8
183.11748	1.8
185.13287	4.8
187.14819	5.1
189.12769	0.6
189.16440	2.1
195.11650	0.7
197.13326	1.8
199.14868	3.2
201.16373	3.7
203.18060	1.1
205.19666	0.7
207.38225	0.6
209.13297	1.4
211.14883	1.1
213.16437	1.8
215.17946	1.3
217.19606	1.0
225.16385	0.8
227.18051	1.4
229.19609	1.1
231.21242	1.0
239.17877	1.2
241.17549	0.6
241.19762	3.6
243.21140	2.4
257.18866	1.0
259.20581	6.3
261.22198	7.7
263.23700	1.0
273.22192	1.6
277.18716	0.6
277.21591	3.5
285.22302	0.7
287.23712	1.3
295.22781	1.1
299.23782	1.4
301.25241	1.2
307.22882	0.7
313.25229	0.8
317.24893	1.4
321.24628	0.7
327.26822	1.0
333.24380	5.6
335.25839	11.6
337.27399	6.8
341.28464	0.7
355.30130	1.3
361.40616	0.6
372.16913	0.6
489.35739	1.4
503.37234	1.7
517.39056	1.4
521.43488	3.5
529.39001	1.3
531.40015	0.8
539.45007	3.2
543.40552	1.6
595.47223	11.0
613.48315	100.0
614.48730	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	614.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08169	0.2
54.73178	0.2
55.05502	0.6
56.05020	0.3
56.57073	0.2
57.07077	5.7
58.06607	1.8
60.04503	0.3
60.06458	0.2
65.03936	0.7
68.05003	0.4
69.07076	0.3
69.63261	0.4
69.63672	1.0
70.06594	15.7
71.08644	2.1
72.08149	0.3
73.77402	0.2
74.06049	0.3
78.88605	0.2
81.07067	0.4
84.08153	0.3
85.10184	0.6
88.07633	18.5
91.05432	0.3
93.07062	0.2
95.04995	0.2
98.21479	0.5
102.09184	12.9
103.01809	0.3
105.03400	0.5
107.08620	0.3
113.61243	0.2
121.10091	0.2
131.04942	0.3
133.10210	0.2
139.03894	0.4
146.56964	0.2
147.04428	0.5
149.02348	36.8
150.91478	0.2
175.03906	0.4
180.04176	0.2
186.29347	0.2
193.04971	44.6
212.23683	0.6
219.06566	0.9
225.05513	1.1
256.26358	37.5
269.04483	1.6
297.03992	1.8
313.07031	2.6
341.06573	9.3
359.07635	5.7
385.09177	42.6
386.09839	0.2
446.22296	0.2
454.87213	0.2
614.33228	100.0
615.33612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01867	3.6
55.05519	26.2
57.03441	17.0
57.07066	6.6
67.05180	3.4
67.05512	51.1
69.03414	2.5
69.07074	26.0
69.53021	14.2
71.04990	3.8
75.65204	2.2
79.05497	23.5
81.03424	77.6
81.07069	67.1
83.04989	5.9
83.08627	25.0
85.06561	3.5
86.45520	1.9
89.06039	15.9
91.05489	27.7
93.07061	27.2
95.04978	28.1
95.08615	41.8
97.06519	5.9
97.10161	9.6
99.08134	2.8
105.07049	21.4
107.04961	5.3
107.08583	20.3
109.06545	5.0
109.10158	22.0
111.08066	6.3
113.09650	2.6
117.07014	4.7
119.08595	23.9
121.06499	3.1
121.10156	13.9
123.08020	3.2
123.11697	6.9
125.09610	4.1
128.12383	2.1
129.06990	11.4
130.08672	2.4
131.08578	12.6
133.06447	3.4
133.08640	10.4
133.10153	14.6
135.11685	7.4
135.67867	2.1
137.09610	4.7
141.07053	2.3
142.07771	3.3
143.08562	4.6
145.10110	6.3
147.08075	2.9
147.11693	8.6
149.09624	6.8
149.13222	2.8
157.10132	12.0
159.11658	4.4
161.13234	4.6
163.11205	3.0
169.10138	3.2
170.31352	2.5
175.11194	6.4
175.14844	3.9
177.11221	8.0
189.11145	3.4
189.16489	2.0
193.12277	18.1
214.81931	2.3
221.13564	2.4
227.12677	2.3
228.20169	2.6
245.22620	3.2
263.23761	4.0
267.15945	100.0
337.27402	89.0
352.23874	5.1
362.81088	2.1
373.56946	2.4
384.22873	4.5
394.33640	2.3
415.25363	7.0
455.35333	5.5
463.44864	2.4
473.36053	2.4
529.38928	79.0
534.37024	2.2
547.40149	27.2
561.41064	2.8
614.39740	7.1
614.48627	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	615.3892
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
53.03948	2.8
55.01868	2.0
55.05512	11.8
57.03422	3.4
57.07064	4.4
57.54734	1.2
65.03941	2.5
67.05505	19.5
69.03425	2.5
69.06718	1.9
69.07071	25.7
69.84175	2.8
69.84588	5.5
71.01365	7.7
71.04993	1.3
73.02921	14.4
75.04502	1.3
77.03905	1.1
79.05500	14.7
81.07059	38.8
83.04970	2.0
83.08626	9.5
85.02908	28.3
91.05481	31.0
93.07053	33.1
95.01336	13.8
95.04967	3.2
95.08610	54.3
97.02888	3.4
97.06548	2.3
97.10160	5.8
99.00806	3.5
99.08127	1.9
101.02394	2.4
103.03950	3.6
103.05473	1.7
105.07036	57.5
107.07872	2.4
107.08598	48.8
109.06576	2.4
109.10162	35.9
109.10922	1.8
111.08095	2.9
111.11723	1.6
113.02361	13.5
117.07022	9.3
119.08584	77.3
120.09278	1.5
121.06565	1.6
121.10149	32.8
123.08082	2.0
123.11720	15.3
128.06261	2.1
129.07008	5.2
130.07773	1.5
131.03415	5.2
131.08574	20.4
133.10139	45.6
135.08060	1.4
135.11688	29.2
137.09685	1.5
137.13258	4.8
141.01822	21.3
141.06996	3.5
142.07825	3.5
143.08549	15.2
144.09299	1.8
145.10129	28.8
146.10876	1.5
147.08141	1.3
147.11700	31.0
149.09601	1.6
149.13264	17.9
151.11276	1.5
151.14809	1.9
155.08530	7.9
156.09367	5.0
157.10130	19.8
158.10901	1.3
159.02916	4.5
159.11699	24.0
160.12482	1.8
161.09599	2.4
161.13261	73.1
163.14841	14.2
167.08592	1.7
167.14325	1.2
169.10136	9.8
170.10980	1.8
171.11696	17.6
172.12526	1.7
173.13289	23.8
175.11153	1.7
175.14844	26.7
177.00789	1.2
177.12814	3.0
177.16386	9.5
179.14319	47.9
181.10161	2.4
182.10852	1.9
183.11702	12.4
184.12480	2.7
185.13252	11.3
187.14812	32.9
187.16440	1.9
189.12836	2.0
189.16391	27.7
191.14337	4.1
191.17961	16.4
193.15884	6.0
194.38535	1.3
195.11725	3.0
197.13274	9.3
198.14082	1.6
199.14851	13.2
201.16374	23.0
203.14427	2.6
203.17981	18.3
205.15887	9.4
205.19513	2.0
207.17477	9.4
209.13290	3.7
211.14879	6.5
213.16333	16.6
215.14359	1.2
215.17938	19.6
215.30161	1.1
217.16080	7.3
217.19530	32.8
219.17435	4.9
223.14928	3.4
225.16356	8.1
227.17931	12.4
229.16028	2.0
229.19554	15.1
231.17470	13.5
231.21042	2.5
233.18938	6.8
235.20631	2.0
237.16370	2.8
238.17067	1.2
239.17897	7.4
241.19540	11.8
243.21104	9.1
245.19093	3.7
249.18399	1.7
251.18010	2.9
253.19484	10.3
255.21088	7.9
257.04852	1.2
259.20670	3.7
263.17847	1.7
265.19476	6.7
267.21091	15.4
269.19296	1.5
269.22705	5.6
271.20663	8.3
273.22360	1.7
277.19525	1.7
279.04007	2.0
279.21097	2.9
281.22705	7.2
283.20697	3.2
285.22165	9.2
287.23651	2.6
293.22571	2.5
295.24454	1.4
297.22232	1.7
299.23724	8.7
305.22650	1.4
307.24051	2.6
347.27209	2.0
391.33569	6.3
393.35236	2.8
403.33685	21.8
409.34637	1.9
421.34647	63.5
423.36368	5.3
439.35968	9.8
579.36554	3.0
597.37878	16.4
615.38971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.05517	8.8
57.07082	10.2
59.05008	11.8
65.03934	2.8
67.05502	17.4
69.03429	6.1
69.07070	7.5
69.27266	2.5
69.27673	11.2
71.04991	1.9
73.06535	3.2
79.05497	18.6
81.03392	2.0
81.07064	20.7
83.04990	2.6
83.08641	3.1
85.06534	15.0
89.06029	3.2
91.05480	28.8
93.07043	38.3
95.04976	8.7
95.08611	32.9
95.09174	3.2
99.08089	2.4
105.07034	39.0
105.77944	1.7
107.04982	1.6
107.08593	29.9
108.05701	1.9
109.06511	7.9
109.10160	14.3
111.08097	6.2
115.05450	1.9
116.06214	2.4
117.07025	11.8
119.08586	50.5
121.06527	5.8
121.10150	25.2
122.07326	1.8
123.04446	2.2
123.08063	30.4
123.11686	5.2
125.06028	1.9
125.09634	10.5
128.06194	3.8
128.83519	1.5
129.07011	6.4
130.07770	2.2
131.08583	21.8
133.06535	2.4
133.08626	2.7
133.10138	37.4
135.08060	13.7
135.11688	12.9
137.09602	9.4
137.31541	1.5
139.11142	3.0
141.06990	3.7
142.07819	5.5
143.08568	15.5
144.09352	3.0
145.10124	29.6
147.08061	12.1
147.11705	14.3
149.09604	8.8
149.13283	2.3
151.07552	34.9
151.08675	3.0
151.11151	8.4
155.08577	4.6
156.09384	7.0
157.08910	3.0
157.10123	23.2
158.10912	2.9
159.11702	17.1
161.09666	7.2
161.13280	5.4
163.11201	9.7
165.07025	2.1
165.09119	25.2
165.12733	2.2
166.07768	1.9
167.08580	2.0
169.10159	9.9
170.10942	3.1
171.11685	12.4
173.09596	3.3
173.13255	10.6
175.11250	4.3
175.14815	13.9
179.08614	3.0
179.10757	1.8
179.14378	2.4
180.09351	3.7
181.10161	4.4
181.12157	7.3
182.10921	3.5
183.11708	8.4
185.13327	5.7
187.11284	2.6
187.14891	6.0
189.12805	9.1
191.10799	2.0
191.14412	2.9
193.10161	2.7
193.12248	4.2
194.10962	2.3
195.11761	5.4
195.13640	2.0
196.12399	2.4
197.13237	7.3
199.11104	2.3
199.14870	4.7
201.12761	4.7
201.16487	3.0
203.14282	14.4
205.15939	2.3
206.10930	2.6
207.11725	4.5
207.13870	12.6
208.12476	2.0
209.13272	8.0
211.11426	3.1
211.13338	6.1
211.15027	3.8
213.12733	3.8
213.16336	2.6
215.14319	3.3
217.15892	3.8
219.17435	2.4
221.13306	5.8
221.15346	62.7
223.14839	4.8
223.17024	8.9
225.16414	2.8
233.13336	3.4
235.14862	5.6
237.16580	2.1
239.17918	2.3
247.14793	2.1
249.16341	3.1
249.18675	2.0
251.16411	3.6
253.15967	2.2
261.16440	2.0
263.17953	2.1
275.17871	1.9
281.19138	1.6
283.20670	2.2
287.20166	3.5
291.21194	1.7
297.22150	2.5
299.20126	4.3
375.26950	3.9
403.30093	2.2
425.30991	2.0
486.84509	1.8
491.35254	9.0
565.40674	4.2
583.41388	21.2
597.43170	11.5
615.44080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.05504	15.9
57.07070	14.5
58.25942	3.3
59.04999	15.1
65.03924	3.7
67.05505	27.5
69.03402	4.7
69.07065	14.5
71.08639	4.0
71.54039	4.9
73.06555	4.7
77.44125	3.4
79.05499	18.3
81.06716	2.9
81.07071	30.1
83.04979	9.6
83.08604	5.7
85.06548	24.1
89.06036	7.5
91.05478	38.1
93.07050	46.9
95.04972	13.2
95.08614	35.2
97.06529	7.0
103.05495	3.4
105.07037	46.9
107.08609	30.1
109.06520	8.5
109.10156	15.0
111.08080	10.5
115.05473	4.9
117.07021	12.3
119.08582	58.7
121.06533	6.3
121.10168	32.6
123.08097	23.0
123.11687	3.8
125.06011	15.8
125.09634	21.0
128.06219	6.9
129.07014	9.7
130.07735	4.3
131.08595	22.9
133.08575	4.6
133.10144	45.5
135.08076	11.3
135.11713	15.3
137.09605	16.0
142.07776	4.8
143.08562	16.3
144.09349	6.2
144.82079	3.5
145.10147	32.2
147.08112	16.6
147.11714	14.9
149.09647	10.7
151.07573	33.4
151.11214	6.2
153.09196	4.1
155.08534	7.2
156.09389	8.8
157.10155	19.5
158.10988	6.3
159.11723	20.3
161.09671	8.9
161.13266	8.5
163.11194	24.7
165.09099	32.9
169.10139	10.7
170.10970	4.3
171.11720	16.5
173.13239	11.0
175.14844	13.7
181.10124	4.6
181.12239	30.2
183.11713	9.4
185.13257	9.5
187.11214	4.9
187.14746	3.9
189.12756	10.3
191.14259	5.9
193.10059	4.1
195.11739	11.2
196.12352	3.8
197.13264	14.5
197.15491	4.2
199.14932	5.0
201.12636	4.8
203.14333	10.3
207.11948	5.2
207.13818	10.7
209.13243	7.6
209.15109	3.5
211.13290	8.5
221.13445	4.7
221.15372	74.5
223.16910	6.7
225.16542	3.9
233.13211	5.2
233.15349	4.7
234.19516	3.2
245.96840	4.1
285.22150	4.3
422.40082	3.6
427.70816	3.9
491.34933	6.6
583.41583	19.9
597.43250	5.8
615.44141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
54.01419	1.2
54.22696	1.2
55.01882	1.2
55.05514	15.1
57.03429	3.5
57.07071	3.6
62.89613	1.2
65.03920	1.2
67.05508	39.6
69.07069	16.6
69.55404	1.2
71.04964	1.6
71.08640	2.4
71.94708	1.1
79.05498	21.9
79.05930	0.9
81.07061	40.9
83.04951	1.5
83.08633	10.5
85.06548	2.0
89.06033	2.6
91.05482	13.6
93.07046	26.2
95.08611	36.6
97.06512	3.4
97.10186	6.0
99.08087	1.6
102.17248	1.2
105.07030	14.9
107.08598	15.4
109.06564	1.7
109.10155	20.0
111.08102	2.1
111.11678	1.3
113.09634	1.7
117.07027	4.7
119.08580	15.5
121.10146	16.8
123.11682	7.0
125.09624	2.0
129.06999	1.6
131.08588	8.0
133.10158	11.7
135.11693	9.7
137.13237	3.4
143.08539	2.5
145.10144	9.5
147.11690	9.0
149.13260	7.0
151.14911	1.6
157.10146	2.1
159.11703	5.2
161.13321	6.7
163.14868	3.2
168.40097	1.2
171.11771	2.4
172.37048	1.2
173.13293	4.5
175.14854	3.5
177.16389	1.6
185.13277	1.8
187.14825	2.4
189.16403	2.1
191.17958	1.4
199.14868	1.7
201.16360	2.2
211.81946	1.5
215.18207	1.8
229.19563	1.6
241.19661	1.8
243.21162	1.9
259.20587	4.1
261.22232	7.2
333.24396	1.7
335.25934	8.3
337.27304	12.3
339.28738	2.4
382.88132	1.2
410.70355	1.2
489.86386	1.3
523.45050	4.1
541.46667	2.0
597.48810	10.4
615.49829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.05513	13.5
57.03434	3.8
57.07066	4.9
61.98688	1.6
67.05508	42.7
67.74179	1.9
69.07072	19.5
71.08625	3.0
71.27308	3.0
71.27652	2.7
79.05493	21.5
80.67803	1.6
81.07063	37.7
83.04966	2.7
83.08627	12.9
85.06563	2.1
89.06041	2.6
91.05481	14.3
93.07047	33.2
95.08607	35.9
97.06508	2.7
97.10178	6.4
101.99539	2.0
105.07028	17.5
107.08593	20.1
109.10152	20.1
111.08109	2.4
117.07030	5.9
119.08593	18.5
121.10169	15.3
123.11722	8.8
125.09619	1.9
129.06949	3.0
131.08583	10.0
133.10112	10.8
135.11729	10.1
137.13271	3.3
143.08580	2.5
145.10121	8.7
147.11711	11.5
149.13283	8.1
157.10165	2.9
159.11684	7.8
161.13271	7.2
163.14822	3.5
171.11888	1.7
173.13278	5.9
175.14888	5.2
177.16447	2.3
184.16211	1.9
185.13310	2.7
187.14853	5.1
189.16370	3.7
200.23347	2.0
201.16374	2.5
201.79149	1.9
212.42795	1.8
241.19981	2.1
243.21062	3.2
259.20563	3.9
261.22195	6.4
335.25851	7.4
337.27280	8.4
523.45105	3.8
541.45868	3.2
545.41992	2.1
576.12018	1.8
597.48785	12.8
615.49823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02376	0.5
57.03436	0.3
64.68543	0.2
68.99812	0.5
69.03429	0.5
70.71407	0.2
70.71756	0.4
72.59748	0.2
75.36320	0.2
79.01858	3.6
81.03405	0.8
85.02911	1.5
93.03439	0.3
96.83588	0.2
97.02905	1.8
99.04458	0.2
99.64989	0.2
107.01333	0.9
109.02877	1.1
111.00816	1.0
121.02859	0.7
123.04471	0.2
123.73640	0.2
125.02362	2.5
127.03925	1.4
137.02322	2.6
143.03409	5.0
145.04950	0.6
149.02371	0.2
153.01837	100.0
153.02875	4.7
154.02168	0.3
161.06018	0.4
161.36980	0.2
163.03940	0.6
165.01823	1.3
166.02589	0.2
171.02893	1.2
173.05989	0.6
181.64677	0.2
183.02885	0.6
183.04433	0.3
184.44463	0.2
195.02878	1.0
201.05453	1.3
210.08557	0.2
219.02989	0.3
219.06633	0.3
229.04974	3.3
247.06082	0.5
255.05115	0.2
257.04520	1.9
274.04794	0.7
285.03864	1.0
295.32736	0.2
297.06046	0.9
303.05002	72.9
304.05359	0.7
315.07104	8.0
345.05917	0.4
369.05969	0.2
411.06909	0.2
424.69046	0.2
451.75500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1137
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01599	0.3
51.02390	0.5
53.03948	0.9
55.01869	0.3
57.03436	0.4
65.03923	0.2
68.99792	0.3
69.03424	2.3
69.39268	1.3
71.04982	0.3
73.02906	0.2
79.01858	3.8
81.03419	7.7
85.02911	2.1
86.16736	0.2
97.02894	4.7
97.03516	0.3
99.04443	0.8
107.01302	1.7
108.38258	0.2
109.02877	4.9
111.00831	0.4
121.02864	0.5
125.02357	3.7
127.03918	6.0
137.02330	1.9
143.02301	0.3
143.03401	5.1
145.04968	1.1
145.06459	0.2
149.02412	0.3
153.01831	100.0
153.02861	4.9
154.02145	0.3
159.04311	0.2
161.06029	0.3
163.03917	0.4
165.01862	1.3
171.02893	8.9
173.06021	0.2
181.59744	0.2
187.03951	0.3
201.05481	0.9
219.06461	0.2
229.04929	2.3
237.03944	0.2
247.05995	0.2
257.04410	1.8
274.04694	0.5
285.03967	0.6
297.06049	9.5
303.04993	59.4
304.05344	0.5
315.07086	4.4
345.05981	0.4
359.85342	0.2
366.00864	0.2
411.07300	0.2
488.84503	0.2
531.86017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41206	0.3
53.03948	0.8
55.01865	0.7
55.05516	0.6
56.96563	0.3
57.03195	0.3
57.03447	3.8
61.02918	1.1
65.03940	0.9
67.05499	0.6
69.03078	0.6
69.03435	7.9
70.06594	0.5
71.01357	0.4
71.04998	20.1
73.02918	1.2
73.51908	0.3
74.52518	0.2
75.04482	0.7
79.05483	0.7
81.03430	2.0
81.07058	0.8
83.04988	1.7
85.02911	32.2
85.06553	0.3
87.04475	0.9
91.03953	0.3
91.05485	5.2
93.07047	0.5
95.04993	0.5
95.08610	0.6
97.02896	4.0
97.06514	0.3
99.04465	1.1
103.05489	0.3
105.07040	1.1
107.08594	0.9
109.02891	1.2
109.06534	0.3
109.10144	0.7
111.04449	1.3
115.03928	0.3
117.05458	0.4
119.04954	12.7
119.08627	0.4
121.06456	0.4
121.10163	0.7
123.04425	0.9
125.09608	0.4
127.03935	4.3
129.05484	7.4
131.08580	0.5
133.04990	0.6
133.10164	0.4
135.11713	0.4
137.05980	1.0
137.09593	0.3
139.03885	0.9
145.04979	3.8
147.04417	100.0
148.04779	0.5
151.03909	0.5
153.01843	0.9
153.05449	0.4
159.11745	0.6
161.09590	0.5
161.13139	0.3
163.04063	0.3
163.06017	0.5
165.05484	4.1
165.09126	0.4
167.07059	1.2
173.09496	0.4
173.13307	0.4
179.05518	0.5
179.07040	0.3
181.04964	0.3
189.05367	0.3
242.88704	0.3
255.08540	0.4
287.05200	0.4
291.08658	3.5
293.10349	0.7
303.04971	1.5
309.09708	10.9
328.82748	0.3
419.29559	0.4
423.63254	0.4
424.13992	0.4
617.20911	3.6
617.37140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01869	0.6
55.05503	0.9
57.03443	3.4
59.04974	0.3
61.02929	0.8
63.25077	0.2
65.03952	0.5
67.05500	0.6
69.03086	0.4
69.03440	5.6
69.07081	0.3
70.83460	0.6
71.05003	22.2
72.93676	0.2
73.02917	1.0
75.04478	1.0
79.05493	0.9
81.03435	1.3
81.07059	0.7
83.04997	1.6
84.04587	0.3
85.02917	29.9
85.06533	0.3
87.04462	0.7
91.03917	0.3
91.04965	0.4
91.05486	4.8
93.07054	1.1
95.04966	0.7
95.08611	1.3
96.49084	0.3
97.02904	1.9
99.04470	0.5
103.03995	0.3
105.07035	1.4
107.04994	0.5
107.08615	1.0
109.02891	1.0
109.06532	0.4
109.10185	0.7
111.04446	1.2
111.08090	0.5
115.03977	0.3
116.26415	0.3
117.07025	0.4
119.04961	12.2
119.08598	0.6
121.06538	0.4
121.10162	1.0
123.04467	0.7
123.08085	0.3
125.09659	0.4
127.03932	3.3
129.05507	7.7
131.04953	0.4
131.08591	0.5
133.06496	0.3
133.10133	0.4
135.08093	1.2
135.73270	0.2
137.05989	0.7
137.09625	0.3
137.51808	0.2
141.97133	0.3
145.04958	1.5
147.04428	100.0
148.04784	0.6
149.05994	0.5
149.09601	0.4
149.30865	0.3
151.03868	0.6
151.11234	0.3
153.01837	0.8
153.09171	0.7
159.11659	0.4
161.09561	0.3
161.13321	0.2
163.07510	0.4
164.06996	0.3
165.05513	4.4
165.09140	0.4
167.07094	0.8
171.11757	0.3
177.05571	0.3
181.05031	0.3
181.08672	0.3
276.75470	0.2
291.08685	4.2
293.10187	0.8
303.04971	0.9
309.09732	10.9
329.10324	0.4
342.42761	0.3
514.17371	0.3
617.22412	1.1
617.36322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01870	0.5
55.05499	0.7
57.03439	4.1
61.02913	1.1
64.38837	0.2
65.03929	0.6
67.05498	0.5
69.03084	0.3
69.03432	4.7
69.07091	0.3
69.15834	0.2
69.16167	2.8
70.15975	0.2
71.01330	0.4
71.04995	21.9
73.02908	0.9
75.04475	1.0
79.05484	0.5
81.03403	0.9
81.07048	0.6
83.04976	2.1
85.02906	31.7
87.04477	0.5
91.05486	4.9
93.07041	0.6
95.04957	0.4
95.08614	0.4
97.02894	1.9
97.06525	0.3
99.04461	0.8
105.07029	0.9
107.04951	0.6
107.08593	0.5
109.02872	1.1
109.10165	0.6
110.14458	0.2
111.04447	0.9
114.33530	0.2
119.04948	12.5
119.08585	0.6
121.02881	0.4
121.10126	0.3
123.04416	0.6
124.30702	0.2
127.03918	3.3
127.28465	0.2
129.05487	7.2
131.08508	0.3
133.10153	0.6
135.11693	0.5
137.05974	0.7
139.03900	0.8
140.04625	0.2
145.04948	1.0
147.04413	100.0
148.04726	0.5
151.03934	0.6
152.00511	0.3
153.01839	0.9
161.05945	0.2
161.09566	0.3
165.05493	3.5
167.07106	1.2
168.07455	0.3
171.06636	0.3
173.13194	0.3
177.05443	0.4
291.08603	3.4
293.10202	0.7
303.05008	1.2
309.09689	10.6
387.39276	0.3
548.42719	0.3
617.29071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05141	0.3
64.57583	0.3
71.54162	0.5
83.01117	0.9
85.02910	0.7
88.18647	0.3
92.92359	0.3
95.01097	1.4
96.01866	0.6
99.08141	0.4
105.07070	0.4
109.97167	0.3
111.00715	0.3
112.01347	0.5
113.02144	2.2
123.04430	0.6
137.06003	0.5
141.05263	0.4
153.01880	1.0
157.04741	0.6
161.05956	0.3
174.03163	0.3
185.04201	3.4
189.05232	7.8
193.15767	0.4
194.28729	0.3
201.03821	0.9
203.05312	0.5
219.06375	0.6
230.94331	0.3
233.07896	0.4
235.09277	0.3
240.57056	0.4
259.07767	1.5
263.09039	0.6
277.10440	0.6
303.05072	0.7
351.14151	1.1
352.66364	0.3
363.12143	0.5
365.12030	6.5
379.13818	0.7
380.14401	13.1
381.15085	2.0
393.15414	0.7
394.04437	0.3
409.19806	0.7
423.16254	1.7
425.17590	0.4
441.17392	1.2
455.18869	0.7
471.18463	0.4
538.27539	0.4
546.14990	0.4
549.68536	0.4
587.23358	1.1
617.24170	100.0
618.24609	1.4
644.98242	0.4
645.12482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.1
55.01858	20.4
55.05513	34.0
57.03442	28.9
57.07081	5.4
57.14837	4.3
57.31880	5.0
59.04993	8.2
65.03931	9.5
67.05173	7.1
67.05505	100.0
69.03432	31.3
69.07048	11.0
71.04979	10.8
73.02897	16.8
79.05483	29.6
81.03423	48.2
81.07053	41.3
83.04978	45.0
83.08604	21.9
85.02882	21.3
91.05473	30.1
93.07063	23.4
95.04946	11.4
95.08588	16.2
97.02894	25.4
97.06510	10.0
97.10149	22.5
98.07303	6.8
98.21597	9.6
105.07024	18.6
107.04936	8.1
107.08578	19.4
107.39927	5.6
108.61342	4.6
109.02895	10.8
109.06515	5.9
109.10155	77.9
111.04428	14.5
111.08099	6.6
112.05050	4.9
116.04672	15.1
117.07038	5.6
119.08566	21.2
121.10147	15.7
123.08047	8.7
125.09621	23.1
127.03876	8.9
129.05463	42.4
129.06947	5.4
130.75479	4.4
131.08591	4.8
132.73918	4.3
133.10089	11.2
135.08020	6.2
135.11681	6.7
137.09612	6.0
143.07042	13.4
145.10123	8.8
147.04367	4.8
147.11699	11.7
151.07509	6.5
153.01775	8.7
157.08606	17.6
157.10097	8.0
159.11737	7.0
163.11128	9.8
171.10150	7.6
171.24101	5.5
173.11787	36.1
175.11142	5.3
181.12180	5.3
189.11206	12.7
189.16368	7.9
191.11046	5.0
193.12218	11.4
199.13353	8.1
200.13976	8.0
211.13118	5.9
219.17276	5.8
221.15334	5.9
227.12614	8.6
229.14322	40.7
283.15338	6.6
285.16989	9.6
301.16382	19.5
371.24265	8.4
373.18509	18.6
383.24243	17.3
455.26279	8.9
525.35583	8.3
599.30566	30.3
617.41895	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	617.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01873	3.4
55.05306	1.7
55.05516	19.2
57.03422	5.8
57.07066	7.0
59.05014	2.1
63.31759	1.7
65.03930	2.6
67.05508	30.1
69.03431	4.7
69.06721	2.6
69.07071	36.9
71.01339	4.9
71.05006	2.1
71.08630	1.7
71.54774	2.3
71.55112	1.9
73.02921	9.6
74.63399	1.9
75.04467	1.9
79.05499	24.2
81.03407	4.3
81.07061	55.9
83.08629	15.1
85.02911	30.7
91.05486	31.9
93.07050	56.1
95.01347	15.7
95.04980	4.5
95.08614	100.0
97.02907	2.7
97.06495	3.8
97.10172	12.9
99.00797	3.3
99.08104	2.9
101.02412	2.3
103.03905	2.5
105.07040	72.5
107.08602	79.6
109.06500	4.0
109.10169	64.1
109.94469	1.8
111.08073	6.3
111.11724	4.9
113.02362	13.9
113.09608	2.0
117.07035	15.2
119.08591	91.0
121.10157	58.7
123.08086	3.7
123.11707	30.3
125.09621	2.6
127.11195	1.7
129.06990	4.1
131.03406	6.0
131.08569	32.3
131.78995	1.5
133.10141	70.6
135.08035	2.4
135.11697	46.5
137.09680	2.3
137.13274	9.7
139.11176	2.6
141.01845	23.9
141.06976	2.0
142.07748	1.9
143.08556	11.8
144.09331	3.5
145.10135	57.3
145.11298	2.9
146.10919	2.3
147.11699	42.9
149.09584	2.8
149.13268	29.2
151.14807	2.3
155.08527	1.9
156.09386	2.4
157.10130	16.1
158.10925	3.0
159.02884	4.6
159.10446	3.3
159.11705	49.2
161.13272	34.1
163.14833	25.3
165.12813	1.9
169.10085	6.0
171.11710	19.0
172.12369	2.4
173.13287	33.8
175.14824	42.5
177.12798	2.0
177.16402	25.6
179.14317	8.5
183.11711	3.3
185.13268	9.5
186.14052	2.8
187.14836	54.7
189.12776	1.9
189.16403	58.4
191.14308	5.3
191.17963	52.9
193.15863	7.9
197.13229	4.1
199.14786	9.6
200.15570	2.0
201.16383	38.9
203.17969	64.7
205.15869	33.1
205.19548	11.2
207.17453	11.1
211.14775	3.8
213.16396	14.8
215.17969	70.4
217.15953	3.6
217.19524	20.6
219.17415	10.1
219.21062	2.6
221.18994	9.8
225.16386	3.4
227.17958	12.1
229.19521	27.8
231.17599	2.9
231.21088	11.2
233.19020	58.2
239.17932	4.5
241.19479	8.0
243.21075	12.0
245.22682	2.7
247.20644	11.5
253.19490	4.3
255.21101	28.1
257.22559	4.4
259.24243	1.8
261.22021	3.9
267.21143	3.8
269.22662	8.3
271.24277	3.7
273.22128	9.1
281.22537	4.6
283.24216	3.6
287.23697	4.6
297.22504	2.3
335.27267	2.0
349.28784	2.2
363.30435	2.2
381.89529	1.7
393.34973	9.2
405.35190	59.5
411.36475	2.4
421.34653	5.2
423.36301	84.5
441.37198	6.3
581.38092	6.2
599.39667	26.7
617.31268	2.5
617.40619	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75996	1.4
53.03941	3.4
53.53450	1.3
55.05301	1.3
55.05515	15.5
57.03430	6.3
57.07079	7.5
65.03928	2.0
67.05178	1.7
67.05510	28.7
69.03433	3.1
69.06721	2.6
69.07074	32.8
71.01342	4.0
71.05011	2.8
71.08616	1.4
73.02925	9.4
73.53896	1.5
74.75338	1.3
79.05490	19.4
80.40122	1.4
81.03407	3.4
81.07059	53.7
83.04993	2.3
83.08620	13.3
85.02907	31.3
85.06546	1.7
91.05477	26.3
93.07047	51.4
95.01334	13.9
95.04970	3.9
95.08611	100.0
97.02888	4.3
97.06520	4.6
97.10162	10.9
98.21533	2.6
99.00837	3.0
101.02425	2.2
103.03941	2.3
103.05462	2.0
105.07033	67.4
107.08599	70.8
109.06488	2.7
109.10166	57.9
109.10928	3.0
111.08108	3.1
111.11710	4.5
113.02383	13.5
115.05426	2.4
117.07024	16.2
119.08585	86.0
121.06463	4.1
121.09330	3.2
121.10158	53.8
123.08046	2.9
123.11705	20.5
125.09676	2.6
129.07005	4.1
131.03423	6.9
131.08569	30.5
133.10135	66.4
135.08051	2.6
135.11697	43.5
137.09587	1.5
137.13251	13.4
137.64041	1.5
139.11255	2.0
141.01825	17.4
143.08539	8.9
144.09312	3.4
145.10127	52.2
147.11697	42.3
147.12726	0.9
149.09625	2.3
149.12173	2.6
149.13275	33.0
151.11179	2.9
153.01915	1.6
153.12759	1.4
155.08574	2.1
156.09387	2.2
157.10110	12.0
159.02881	4.7
159.11707	49.8
160.12453	1.6
161.09558	2.2
161.13269	38.0
163.11142	2.9
163.14830	27.1
169.10184	2.2
170.10954	3.0
171.11713	11.8
173.13245	26.7
175.14822	35.0
177.12753	3.0
177.16389	20.8
179.14313	5.7
183.11729	2.8
185.13272	8.8
186.14034	2.2
187.14819	46.7
189.12801	2.2
189.16380	51.4
191.14285	5.8
191.17967	43.3
192.05608	1.4
193.15866	5.7
193.19485	1.5
193.67230	1.5
197.13330	3.4
199.14813	8.0
201.12587	1.8
201.16412	40.2
203.14537	3.1
203.17963	53.1
205.15883	29.9
205.19524	10.6
207.17421	10.4
211.11122	1.9
211.14822	2.4
213.16441	13.4
213.26201	1.6
215.17961	56.5
217.15948	4.1
217.19536	19.6
219.13832	2.5
219.17421	17.8
219.20961	2.6
219.58807	1.5
221.18987	6.8
225.16429	2.1
227.18019	10.7
229.19518	20.0
231.17422	4.0
231.21092	9.2
233.16658	3.0
233.18999	62.7
239.17932	1.9
241.19557	4.6
243.21144	8.4
245.18909	3.3
245.22661	2.1
247.20537	6.3
253.19478	1.7
255.21049	14.0
257.22684	5.3
259.20639	2.1
260.69339	1.4
261.22235	2.2
265.19321	1.4
267.21021	2.9
269.22665	7.4
271.20477	1.9
271.24249	2.3
273.22104	6.5
281.22650	5.2
283.24149	3.8
287.23663	4.5
295.24118	3.0
297.25708	1.7
299.23785	1.9
301.25174	1.9
303.04865	1.7
393.35120	6.5
405.35287	43.4
421.34561	4.7
423.36292	77.2
424.19269	1.9
441.37125	4.7
563.37036	1.8
581.37982	2.2
599.39606	18.9
617.39246	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	618.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
53.57017	0.2
55.01870	0.4
55.05500	0.4
57.03441	3.7
57.07079	0.5
59.04999	0.7
61.02924	0.9
67.05510	0.3
69.03434	11.1
69.07069	1.1
69.72322	1.1
70.04078	100.0
71.05000	0.5
72.77589	0.2
73.02898	0.6
73.06563	0.4
79.05491	0.4
81.07067	0.8
83.08597	0.2
84.56724	0.2
85.02905	12.1
87.04474	4.0
88.47894	0.2
91.03989	0.4
91.05464	0.2
93.07066	0.4
95.08602	0.4
97.02897	6.3
97.06522	0.3
99.04468	0.5
105.07037	0.5
107.08625	0.6
109.02900	1.2
109.10172	0.3
109.66042	0.2
115.03926	3.1
115.05465	0.3
116.06218	0.3
119.08628	0.2
125.01543	10.2
127.03905	1.3
128.06262	0.6
129.07005	0.2
130.07834	0.4
133.04953	1.9
139.03094	2.1
141.01033	0.3
142.07843	0.5
143.08556	0.6
144.09364	0.8
145.04979	0.6
145.26663	0.2
151.03096	9.7
156.09363	0.2
163.03079	1.8
165.04675	3.9
177.04622	1.7
179.06226	4.1
181.04161	0.9
191.06265	0.2
193.07722	0.2
207.09450	1.1
219.09410	0.9
227.84142	0.2
276.12628	1.8
288.12622	0.6
306.11044	0.1
306.13666	7.9
324.14731	71.3
325.15097	0.6
345.21371	0.2
411.25427	0.3
456.18616	0.4
468.18890	0.6
486.20020	40.7
487.20288	0.6
618.24091	7.7
618.33899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05504	0.6
57.07075	1.0
60.18786	0.4
61.46178	0.5
67.05504	0.8
69.07044	0.8
69.21092	0.6
69.21497	3.8
69.22962	0.4
71.08636	0.9
79.05487	0.8
81.03412	0.9
81.07059	1.2
83.08639	0.5
91.05476	0.7
95.04974	0.4
95.08628	1.6
105.07014	0.6
106.47368	0.5
119.08552	0.8
121.10165	0.5
146.08157	0.5
157.10182	0.5
192.41156	0.5
193.12245	1.2
211.13390	0.5
234.16454	0.4
240.24777	0.4
283.48376	0.5
375.16187	0.7
387.16214	1.0
388.17270	0.7
389.17612	2.3
390.18564	1.1
391.19427	0.9
401.17920	0.8
402.18698	0.7
403.19479	3.2
404.20123	2.4
405.20627	1.4
415.19736	1.0
416.20267	0.8
417.16977	2.0
417.21021	2.1
418.22061	0.9
419.22504	4.8
420.22995	0.8
430.22263	0.6
431.17706	3.0
431.23056	1.7
432.19275	0.7
433.19937	0.6
443.19342	0.6
444.71579	0.5
445.20499	4.3
446.21133	2.9
447.21982	5.5
459.18298	2.6
460.18765	0.8
461.19455	2.1
473.19849	1.6
474.20392	6.2
475.21277	13.0
487.21359	3.1
488.22220	1.2
501.22696	2.7
505.26096	1.4
505.38693	1.0
519.20117	0.9
523.39789	4.7
529.22168	1.0
532.24316	0.9
533.25610	7.8
561.24976	31.2
562.25372	1.1
589.24213	0.9
621.27069	100.0
622.27356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.56548	0.3
79.52463	0.3
97.90583	0.3
223.12389	0.4
229.56964	0.5
296.04996	0.3
306.83212	0.3
306.89255	0.4
373.14722	0.5
374.15561	0.4
375.16428	0.6
376.17212	0.3
387.16678	0.5
388.16830	1.2
389.17615	3.0
390.18622	1.6
391.19409	1.1
400.16910	0.4
401.17831	0.9
402.14246	0.5
402.18912	0.9
403.14685	0.6
403.19553	4.0
404.20090	2.8
405.20984	2.7
415.19708	0.6
416.16345	1.3
416.20825	0.6
417.17172	3.8
417.21255	2.0
418.17099	0.6
418.21783	1.0
419.22409	7.9
420.23117	0.8
429.21399	0.5
430.17920	1.2
431.18179	6.7
432.19357	3.2
433.20230	2.8
443.18671	0.5
444.19547	0.7
445.20190	6.1
446.21048	5.2
447.21823	10.1
457.19940	0.6
458.21616	0.4
459.17221	0.8
459.23047	2.0
460.18799	0.5
461.19794	1.5
473.19498	1.5
473.24576	0.8
473.96228	0.4
474.20422	5.9
475.21341	8.0
475.27625	0.6
477.22934	0.3
478.23932	0.4
487.21637	2.5
488.22189	1.1
491.20969	1.2
492.24911	0.4
501.22672	1.8
505.25986	1.1
518.23413	0.6
519.20306	0.8
529.22559	0.4
533.25549	15.7
534.25806	0.4
546.22742	0.5
561.25018	21.4
562.25781	0.5
565.27954	0.8
589.24670	0.9
593.27576	3.7
609.21338	0.4
621.27136	100.0
622.27600	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85340	0.3
54.59984	0.3
67.65245	0.3
71.24469	0.5
73.18147	0.3
73.52109	0.3
76.61016	0.3
92.62833	0.3
94.06477	0.4
100.65610	0.3
105.95368	0.3
112.95381	0.4
131.61371	0.3
185.71452	0.3
221.10733	0.5
223.12296	0.3
227.05542	0.3
235.12334	0.4
340.14301	0.4
348.14764	0.3
373.14761	0.6
374.15359	0.5
375.15906	0.7
387.16452	0.7
388.17047	1.3
389.17697	3.0
390.18390	1.5
391.19012	0.7
401.17795	1.2
402.18463	1.2
403.19470	5.8
404.20071	2.4
405.20978	2.4
415.19269	1.1
416.15463	1.6
416.20551	0.9
417.16986	4.3
417.21024	3.2
418.16980	0.6
418.21558	1.1
419.22412	8.1
429.16583	0.6
429.21649	0.4
430.17102	1.4
430.22797	0.4
431.18051	8.0
431.23557	0.8
432.19009	2.9
433.20148	1.8
442.17752	0.4
443.18787	0.9
444.19678	0.8
445.20081	6.5
446.20938	5.4
447.21820	11.4
448.22614	0.6
457.20071	0.5
458.21136	0.4
459.17496	1.3
459.21979	2.3
460.18857	0.9
461.19626	0.6
473.18613	0.5
473.23694	1.1
474.20483	11.2
475.21310	16.5
486.20230	0.5
487.21350	4.3
488.22107	1.3
490.23450	0.4
491.20374	0.5
492.25174	0.5
501.22949	2.8
502.23862	0.5
503.20645	0.6
504.21622	0.7
505.26645	0.7
506.23059	0.5
517.22455	0.5
518.23254	0.8
519.23816	0.4
520.24805	0.4
529.22626	0.8
533.25574	12.7
546.22516	1.4
554.06494	0.3
561.25000	70.6
562.25037	1.6
589.24420	2.1
593.27423	2.9
621.27112	100.0
622.27271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.10068	0.5
55.05496	0.7
67.05492	1.3
71.53880	0.7
81.07033	0.9
91.05474	0.6
93.07049	1.1
93.72010	0.5
95.08602	1.0
107.08563	0.7
115.91426	0.6
119.08602	0.8
133.10135	0.6
154.38484	0.6
211.70975	0.5
255.17548	0.5
285.26736	0.6
336.15247	0.6
376.17749	0.5
386.10510	0.6
388.17197	0.9
389.17645	1.9
390.18469	1.2
391.19345	0.7
401.17502	0.7
402.18542	1.3
403.19427	3.5
404.20056	2.6
405.20926	2.9
416.16144	1.2
417.17050	3.2
417.21057	2.3
418.21732	1.3
419.22394	6.9
420.22903	0.7
430.18015	1.2
431.18073	5.8
432.19302	1.8
433.20300	1.6
445.20078	5.0
446.21060	5.2
447.21759	9.5
459.21902	2.0
460.18463	1.0
461.19705	1.0
473.19150	0.9
473.24600	0.8
474.20422	5.9
475.21274	8.0
487.21490	3.1
501.22794	2.2
505.26447	1.3
519.20508	1.0
533.25519	16.4
546.23102	0.6
561.24915	20.7
589.24408	1.1
593.27820	3.8
621.27081	100.0
622.27570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.9
53.03952	7.9
54.38251	0.7
55.01871	6.7
55.05516	17.4
57.03442	8.4
57.07079	1.4
59.04996	1.2
65.03951	3.5
67.05510	27.9
68.99822	0.8
69.03073	1.6
69.03421	13.8
69.07069	10.4
70.04082	13.3
71.01366	2.0
71.05005	6.8
71.53891	1.1
73.02927	0.9
77.03945	0.8
79.05499	31.9
81.03424	100.0
81.07064	35.0
83.04989	17.4
83.08624	17.8
85.02914	20.3
85.06556	2.6
87.04482	0.9
91.05490	39.7
93.07051	22.8
95.04976	33.9
95.08620	14.0
97.02907	17.3
97.06532	5.6
97.10171	8.6
99.04488	4.6
99.08110	1.3
101.02399	1.0
103.04006	1.0
103.05476	2.9
105.04497	1.5
105.07040	28.1
107.04966	13.7
107.08598	14.2
109.02891	20.9
109.03592	1.4
109.06531	7.3
109.10163	6.1
111.04454	9.2
111.08092	9.1
111.11698	0.9
113.06016	2.1
115.05481	4.5
117.07028	7.9
119.04971	3.5
119.08597	21.8
121.02891	1.4
121.06498	5.7
121.10150	12.5
123.04430	6.9
123.08105	2.6
123.11732	4.0
125.02386	2.7
125.06042	1.5
125.09628	5.3
126.95570	0.8
127.01299	1.9
127.03930	9.4
128.06239	2.5
129.05530	1.2
129.07013	12.8
129.07909	1.0
131.04938	3.7
131.08565	13.0
133.06468	5.5
133.10146	12.7
135.04436	1.2
135.08043	4.5
135.11736	4.5
137.06006	2.5
137.09639	3.3
139.11235	2.0
141.07053	1.1
142.07828	4.1
143.08545	4.3
145.04919	1.2
145.06512	4.7
145.10136	6.9
147.04430	4.1
147.08076	4.9
147.11691	18.8
149.06004	3.4
149.09642	6.6
149.13284	1.7
151.03957	0.8
151.07564	1.1
151.11230	1.2
153.12787	2.2
155.08604	3.0
157.06543	2.8
157.10161	13.2
159.04466	1.4
159.08081	2.2
159.11717	2.4
161.05995	2.9
161.09586	4.2
161.13342	1.7
163.11206	5.8
165.09140	1.9
165.12784	5.3
167.07121	1.1
167.08586	1.3
169.06589	0.8
169.10172	1.7
171.08124	2.2
171.11752	2.2
173.04480	3.8
173.06013	2.3
173.09618	1.8
173.13327	1.7
175.07634	1.3
175.11198	11.0
177.12816	1.2
181.10135	1.8
181.12299	2.6
183.11745	1.8
185.09697	2.3
185.13283	1.8
187.07587	2.0
187.11235	1.5
187.14867	1.3
189.05556	2.1
189.09151	1.3
189.11256	2.8
189.12828	2.0
189.16438	1.2
191.07021	1.1
191.09096	0.7
191.10651	4.3
193.10437	1.7
193.12256	32.9
197.09628	1.2
197.13348	1.0
199.11234	1.6
201.12822	1.2
203.10760	1.0
205.12234	1.8
207.13847	1.7
209.11665	1.1
209.13441	0.8
211.11371	1.6
211.13292	39.3
213.12779	1.7
217.12404	1.5
219.13837	1.3
223.13345	1.6
225.12527	0.9
227.12689	4.9
229.14297	1.1
231.13826	2.0
235.13350	2.9
237.12804	1.2
241.12199	1.0
243.13847	1.3
245.15569	1.3
247.13382	1.2
249.14996	2.7
255.13910	2.6
259.13412	2.5
261.15009	1.2
265.14407	1.4
267.15967	13.5
267.18619	1.3
273.14880	11.0
277.14444	2.3
283.13089	1.9
283.15698	1.7
285.14590	0.8
285.17096	9.7
289.14417	1.3
291.16119	1.5
301.14307	10.1
319.15430	7.1
326.14581	4.1
327.14771	6.2
337.16440	4.7
341.17056	0.8
345.16248	1.2
355.17816	3.6
367.22675	1.1
375.17953	3.9
385.23935	2.9
393.19308	4.8
403.24759	2.4
411.20264	3.5
441.33551	1.0
447.27362	1.0
459.27444	7.7
465.28452	1.4
477.28433	8.3
488.19757	1.7
489.20026	5.0
495.29565	4.3
501.28436	1.6
511.27219	1.3
543.29382	1.7
567.29736	1.8
573.30927	2.2
585.30615	7.8
603.31799	14.9
621.32825	71.2
622.32495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.5
55.01883	5.9
55.05269	1.1
55.05518	18.8
57.03224	0.7
57.03448	7.4
57.07068	0.8
65.03940	2.8
67.05513	31.1
69.03086	1.2
69.03428	13.8
69.07075	8.4
70.77567	1.5
71.01350	1.9
71.05000	6.8
79.05502	36.0
79.62220	0.7
81.03426	100.0
81.07063	31.7
81.07786	0.9
83.04985	14.3
83.05460	1.0
83.08624	21.3
84.54888	0.6
85.02912	21.1
85.06551	2.8
87.04479	0.8
91.05489	38.6
93.07056	21.8
95.04364	1.5
95.04978	30.9
95.08618	10.8
95.09170	1.0
97.02906	15.1
97.06518	4.7
97.10189	8.8
99.04475	4.2
99.08103	0.9
101.02351	1.0
103.03979	0.9
103.05480	2.8
105.04504	1.6
105.07043	28.2
107.04976	12.8
107.08605	12.1
109.02895	25.2
109.06520	6.1
109.10149	4.9
111.04449	9.5
111.08094	8.6
113.05998	1.5
115.05468	3.3
117.07031	8.0
119.04950	2.2
119.08596	20.7
121.02852	0.9
121.06520	7.6
121.10151	9.4
123.04457	5.9
123.08080	4.2
123.11722	3.1
125.02387	3.3
125.06015	1.3
125.09635	5.6
127.03916	6.9
128.06219	3.6
129.05530	1.3
129.07019	13.8
131.04939	3.3
131.08582	15.0
133.06526	5.4
133.10138	10.1
135.04437	1.6
135.08051	4.7
135.11681	3.1
137.06017	2.2
137.09665	1.7
139.03923	1.0
141.07028	2.4
142.07803	3.1
143.08571	3.9
145.06490	5.7
145.10120	6.0
147.04424	3.7
147.08072	6.1
147.11693	14.5
147.12808	1.2
149.06007	3.9
149.09625	5.8
151.11215	0.9
153.07069	1.2
153.09047	1.0
153.12779	2.5
155.08588	3.0
157.06552	3.5
157.10129	12.6
159.04478	0.8
159.08104	2.0
159.11716	2.6
160.05226	0.7
161.06044	2.8
161.09648	2.7
161.13266	0.9
163.11179	6.6
165.05537	1.4
165.06984	1.0
165.12788	5.1
167.08606	2.0
169.06488	1.3
169.10141	2.6
171.04553	1.0
171.08116	2.5
171.11746	2.0
173.04495	6.0
173.06003	2.7
173.09694	2.2
175.07715	1.2
175.11205	11.8
177.12781	1.5
179.08510	0.9
181.10213	1.4
181.12254	3.1
185.06003	0.9
185.09634	1.6
185.13297	0.9
187.07608	1.8
187.11215	1.4
189.05527	2.4
189.09343	0.8
189.11232	3.0
189.12808	2.5
191.07010	0.9
191.10709	2.9
193.10428	1.4
193.12253	32.2
195.11778	1.3
199.11362	1.3
201.12749	0.9
205.12363	1.7
207.13899	1.7
209.09811	0.8
209.11662	1.1
209.13490	1.2
211.11398	1.6
211.13301	42.2
213.09038	0.8
213.12830	2.4
217.12268	1.3
219.13878	0.7
223.13287	1.6
225.12772	1.2
227.12569	4.3
227.14723	0.8
229.12224	1.1
231.13844	1.5
232.83574	0.7
233.15359	1.5
235.13356	2.7
237.12897	1.7
245.15469	0.9
249.14923	2.3
255.13835	2.8
257.15298	1.0
259.13333	2.7
261.14914	0.7
267.15973	13.1
271.13379	1.6
273.14902	11.1
275.16409	1.1
277.14420	1.3
283.13065	1.0
283.15704	1.1
285.14584	0.8
285.17099	10.3
289.14493	1.9
291.15900	1.7
301.14349	14.2
301.17606	1.2
303.15860	1.5
309.17065	0.9
313.16718	0.7
317.17841	0.9
319.15424	7.8
329.17285	0.8
333.17053	1.0
337.16547	5.0
347.18677	0.8
349.21671	1.3
350.61111	0.7
351.17828	0.7
355.17523	2.8
367.22772	2.3
375.18073	5.8
385.23755	4.3
393.18961	5.0
403.24985	1.2
411.20084	3.7
421.25589	0.9
427.25546	0.8
447.25854	1.0
459.27432	7.5
475.25055	0.9
477.28552	9.5
493.26230	1.1
495.29724	7.9
501.28354	0.9
511.26624	1.2
529.27966	0.9
543.29498	1.9
557.30847	2.2
561.30280	0.9
567.29626	2.8
573.30200	3.2
585.30664	11.9
603.31659	13.1
621.32745	74.8
622.33240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.0
55.01864	6.7
55.05515	45.7
57.03429	6.7
57.07078	5.5
61.02922	5.1
65.03948	3.9
67.05508	41.9
69.03430	23.8
69.07069	56.8
70.04068	5.5
71.05003	13.9
71.54278	4.3
79.05501	38.4
81.03419	70.1
81.03855	2.6
81.07059	100.0
83.04978	17.2
83.08618	21.3
85.02900	21.8
85.06528	9.4
91.05479	39.1
93.07048	65.2
94.58847	2.5
95.04968	41.9
95.08614	69.6
97.02886	16.1
97.06565	16.6
97.10180	52.8
99.04459	9.4
99.08112	4.7
101.15018	2.8
105.07030	59.1
107.04927	14.1
107.08591	50.3
109.02880	30.9
109.06516	14.6
109.10153	54.6
111.04459	12.5
111.08081	11.3
111.11725	7.4
115.03917	2.8
117.07021	13.1
119.04936	3.2
119.08583	42.2
121.02826	3.3
121.06520	12.2
121.10142	48.3
123.04450	9.6
123.08057	9.5
123.11716	45.7
125.06024	3.8
125.09641	16.2
127.03936	22.4
128.06232	3.4
129.07021	10.0
131.04933	8.1
131.08560	19.1
133.06526	5.3
133.10159	28.3
135.08075	10.4
135.11693	30.9
137.02341	4.2
137.05995	10.4
137.09601	15.8
137.13269	9.8
137.76758	2.5
139.03880	4.6
139.11176	25.0
141.07034	3.6
143.08562	10.6
143.10699	8.4
145.05089	3.0
145.06459	9.3
145.10110	28.2
147.04420	5.3
147.08057	7.2
147.11688	32.1
149.09656	14.0
149.13287	12.6
151.03894	4.3
151.07556	4.4
151.11226	8.1
153.01851	3.7
153.12744	7.0
155.08618	4.6
157.06419	3.1
157.10207	14.1
157.12292	8.7
159.08012	5.3
159.11719	23.9
161.05994	3.3
161.09637	8.9
161.13249	10.3
163.07524	4.3
163.11240	16.3
163.14819	3.7
165.09142	11.3
165.12749	13.2
169.10117	4.0
171.07974	4.0
171.11690	5.9
173.04485	5.1
173.05881	3.0
173.09550	5.1
173.13306	9.9
175.11217	8.3
175.14827	8.5
177.09151	3.3
177.12814	7.2
179.10712	4.8
181.10048	3.6
185.09612	3.6
185.13364	4.2
187.07442	3.9
187.11360	4.0
187.13300	6.7
187.14844	5.7
189.05528	3.2
189.09052	4.2
189.11273	4.0
189.12773	4.4
189.16396	4.7
191.14359	6.7
193.12277	15.0
193.15973	4.5
201.12801	6.1
201.16318	4.8
203.14418	6.1
205.05077	3.2
205.12204	4.0
209.13345	3.0
209.15305	3.4
211.11436	3.2
211.13324	10.3
211.15033	3.3
213.12773	5.5
223.11351	3.0
231.13814	4.5
233.15334	3.8
245.15352	4.8
247.16936	2.8
255.13660	2.8
257.22626	6.4
267.15829	8.2
273.14926	9.1
275.23691	10.2
285.17148	5.5
285.22119	5.9
288.14508	2.8
289.14346	3.0
291.23300	6.6
293.24719	5.9
301.14319	8.0
303.05032	15.0
303.23148	34.8
309.24426	4.5
313.16473	3.5
319.15573	3.8
321.24170	18.4
367.22461	3.2
383.25748	4.5
385.23950	5.7
397.22046	3.3
403.24701	3.0
411.25250	6.7
417.26117	3.4
429.26266	9.8
435.27753	3.6
441.33594	4.4
447.27481	23.5
453.28442	6.5
459.27219	8.6
465.28488	32.9
477.28818	4.5
483.29581	18.2
501.29474	3.0
585.30524	11.3
603.31561	9.4
621.32831	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	1.7
70.68913	1.3
71.54144	1.4
85.02882	2.2
97.02905	3.0
98.97601	2.8
99.87165	1.1
104.26978	1.1
111.04435	3.6
119.87786	1.3
123.04422	13.1
127.03886	1.7
135.04424	8.3
139.03908	100.0
147.04324	1.2
151.03903	3.3
159.04445	1.4
163.03889	9.1
163.07845	1.1
169.06599	1.3
175.03871	1.3
179.03426	8.4
181.06526	1.5
187.03896	3.3
189.05516	6.0
201.05569	2.4
203.03342	3.3
213.05420	2.2
215.03430	3.7
217.05028	3.0
225.07089	1.3
229.05051	2.5
245.04408	9.5
255.06490	5.3
257.04498	5.1
259.02335	1.6
259.06012	4.6
269.04440	2.5
271.06021	4.1
277.03329	3.0
283.06003	20.6
287.05505	15.8
299.05496	11.0
301.07053	17.2
303.01508	1.5
311.05460	2.9
404.89825	1.3
408.22577	1.4
411.10825	3.1
421.09149	12.7
433.09604	1.3
439.10294	23.8
451.10138	3.2
490.21368	1.7
591.15076	10.7
619.44995	1.3
622.21704	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80663	0.6
57.07069	1.0
67.99760	0.5
82.22900	0.6
85.01834	0.6
85.27657	0.6
89.06019	1.2
98.21498	1.9
101.44681	0.6
108.85403	0.6
126.83152	0.6
141.50728	0.6
218.84367	0.6
224.13063	1.2
330.51428	0.6
348.31412	0.6
376.17435	1.3
377.17700	1.6
378.18842	0.8
386.15536	0.6
387.15744	0.6
389.18488	1.1
390.18906	1.2
391.19278	3.2
392.20093	2.2
393.20993	1.5
399.16373	1.2
400.17026	1.4
401.17828	1.9
402.19516	0.6
403.19522	1.0
404.20804	0.9
405.20895	3.5
406.21603	4.4
407.22391	12.0
413.18030	1.4
414.18396	3.4
415.19360	4.3
417.21362	1.1
419.22668	1.5
420.23434	1.6
421.23929	8.9
422.24606	2.0
426.18985	0.8
427.19476	1.8
428.19849	3.0
429.21005	10.4
430.21628	2.8
433.19937	1.0
433.24200	1.7
435.26019	1.0
441.21274	1.2
442.21396	1.4
443.22598	6.4
444.23770	3.0
445.20480	2.4
446.21103	1.0
447.17856	1.4
449.23334	0.8
455.18845	1.5
456.19507	1.2
457.19116	1.1
457.24011	3.4
458.24829	6.8
459.21786	7.7
460.22620	1.5
461.18979	4.7
462.20526	1.2
463.21616	1.0
470.21039	2.0
471.22064	1.1
472.22873	6.7
473.19205	0.9
473.24222	1.8
474.20288	1.1
475.21237	7.0
476.21585	5.2
477.22821	3.4
485.23572	12.3
486.20508	3.4
486.24756	1.9
487.21259	1.4
488.22342	1.2
489.22995	2.9
499.21188	3.9
500.22388	2.1
502.23840	1.2
503.24484	7.5
504.26144	1.1
507.23322	0.9
508.28726	1.0
513.22937	4.8
514.23639	1.8
515.24194	1.2
517.26245	8.1
521.25806	1.0
527.24445	0.8
529.26001	2.2
531.23932	1.7
535.27191	5.5
545.25537	80.0
546.25421	1.5
560.71625	0.7
564.27283	1.2
573.25104	19.7
591.26355	1.2
605.27625	84.9
606.27826	1.9
623.28687	100.0
624.28760	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	623.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39919	0.3
50.96310	0.3
56.83267	0.2
62.61240	0.3
63.10623	0.3
67.05454	0.7
69.07032	0.3
71.06757	0.4
71.07133	0.3
79.05458	0.5
81.07018	0.4
93.07010	0.5
95.08574	0.4
107.08535	0.3
145.91557	0.2
154.96774	0.2
261.86816	0.3
319.10812	0.3
389.18091	0.3
391.19162	0.5
399.15930	0.3
401.17636	0.5
402.18869	0.3
403.19315	0.3
404.20798	1.0
404.61548	0.3
405.20709	0.5
413.17587	0.8
414.18616	0.9
415.19519	2.0
416.20398	0.7
417.20752	0.8
418.21780	0.4
419.18188	0.8
419.23013	0.6
420.19421	0.5
427.19382	0.8
428.20111	1.2
429.20847	5.8
430.21619	1.2
431.18744	1.1
432.19437	0.6
433.19553	0.5
433.23956	1.2
434.21133	0.5
435.21524	0.4
442.21942	0.5
443.22473	4.0
444.23856	2.3
445.24908	1.3
447.22696	2.0
448.22089	0.3
449.23022	1.1
455.18430	0.6
456.19290	0.7
457.14722	0.3
457.19781	1.0
457.24298	1.4
458.25174	2.7
459.21521	3.4
460.22751	2.5
461.19101	1.2
461.23538	2.2
462.20477	2.1
470.21024	0.7
471.22095	1.6
472.22672	4.0
473.23718	2.4
474.20047	0.4
475.21317	0.9
476.22107	1.7
477.23105	2.4
485.23395	5.8
486.24054	1.3
487.25388	3.4
488.21579	0.5
489.22983	1.7
501.23572	0.4
502.23737	0.4
503.24600	2.0
504.25085	0.5
513.22839	0.8
517.26221	4.1
519.23694	1.1
520.24829	0.9
521.21948	1.0
531.24109	4.9
532.24982	0.6
535.25989	0.6
545.25525	47.7
546.26349	1.5
548.24213	0.6
563.26520	11.5
577.27869	0.8
591.26056	0.5
605.27600	3.8
620.11005	0.3
623.28650	100.0
624.28979	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91494	0.3
58.84571	0.2
59.52391	0.2
62.44952	0.2
69.89919	0.3
71.03793	0.4
79.05531	0.4
81.07037	0.3
93.07079	0.3
115.01600	0.2
116.11856	0.2
118.85884	0.2
214.15239	0.2
337.07101	0.3
348.14319	0.3
375.16397	0.3
377.18002	0.3
387.15918	0.3
389.18341	0.4
390.18463	1.3
391.19336	1.2
392.20166	0.4
402.18695	0.3
403.19717	0.6
404.16144	0.6
405.15945	0.4
405.20807	4.1
414.18192	0.4
415.19235	0.9
416.19818	0.7
417.21219	0.6
418.17618	0.6
419.18011	2.0
419.23294	0.5
420.23804	1.3
421.24106	0.6
428.20358	0.5
429.20871	2.7
430.21756	0.8
431.22858	0.6
433.19711	3.5
434.20648	0.4
435.21927	0.9
443.22781	1.6
444.23306	0.8
445.19049	0.4
445.24277	0.8
446.17313	0.8
447.17941	9.3
448.22836	3.2
449.23639	2.5
452.22290	0.8
457.19504	0.5
457.24765	0.3
458.24768	1.1
459.21182	2.7
460.22867	1.5
461.19385	8.7
462.20563	1.0
463.21603	1.2
465.23187	0.3
472.22476	1.3
473.23831	1.4
474.24008	0.3
475.21378	1.2
476.22083	19.3
477.22879	3.1
479.20697	1.6
485.23557	2.1
486.24411	0.6
487.25272	2.6
489.18698	1.5
500.22287	0.4
503.24213	1.1
508.24399	0.5
514.23907	0.3
517.26245	1.3
518.22980	0.3
519.23669	1.7
521.21790	0.8
531.23901	2.8
535.25909	0.3
545.25537	13.2
546.26135	0.5
547.27399	0.7
563.26550	8.9
563.35382	0.5
573.24878	0.4
577.28827	0.3
591.26135	0.8
605.27637	2.7
623.28650	100.0
624.28809	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16082	0.2
67.05486	0.3
69.50355	0.2
81.07031	0.4
91.05467	0.3
93.07034	0.3
95.08607	0.3
119.08639	0.3
121.10082	0.3
140.06226	0.2
149.41731	0.2
158.09839	0.2
193.92458	0.2
209.10765	0.3
220.63187	0.2
223.12363	0.5
229.54288	0.2
240.25854	0.2
312.14771	0.2
363.34366	0.2
375.15863	0.3
376.17239	0.2
377.17737	0.3
387.16324	0.2
388.16962	0.4
389.17926	0.7
390.18402	0.4
391.19232	1.2
392.20172	0.5
393.21042	0.2
401.17642	0.8
402.18616	0.6
403.14813	0.3
403.19614	1.5
404.20084	0.8
405.16296	0.4
405.21252	2.0
406.21512	0.5
407.22449	1.3
408.22269	0.2
410.31555	0.2
414.18320	0.2
415.19513	1.3
416.20114	0.7
417.16794	0.9
417.21671	1.8
418.17807	0.8
418.22495	0.4
419.17667	0.5
419.22949	3.1
420.23550	1.1
421.23883	0.5
429.20740	0.8
430.17099	1.2
431.17755	2.4
431.23114	1.0
432.19376	1.1
432.23666	0.8
433.20230	6.1
433.25415	0.4
434.20938	0.5
435.21829	0.4
443.17914	1.5
444.18967	1.6
445.19812	4.2
446.21109	2.6
447.22021	4.0
448.23129	1.1
457.20309	0.6
458.20877	5.1
459.21695	4.8
459.27249	0.3
460.22672	3.6
461.19846	1.0
462.20258	0.5
463.21469	2.6
471.21942	0.4
472.22488	0.8
473.23734	1.5
475.20596	1.4
476.22131	1.1
477.22803	1.8
478.23584	0.3
485.24036	0.4
486.24225	0.3
487.25339	0.3
489.23044	0.8
490.23923	0.3
491.24341	0.6
492.25272	0.3
503.20325	0.3
503.24991	0.6
504.25504	0.4
505.22690	1.1
507.28024	0.2
513.23505	0.2
517.22412	0.7
518.23132	4.5
519.24207	0.3
521.21625	1.1
530.23029	0.3
531.23938	0.8
532.24567	0.9
533.25543	7.5
535.27875	1.7
545.25616	2.9
546.26550	0.9
548.23865	0.3
563.26544	7.2
564.26782	0.4
573.25165	0.8
577.28149	0.7
591.26251	0.4
605.27612	11.1
606.28693	0.3
623.28656	100.0
624.29291	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
67.05498	3.0
67.32770	0.5
69.07066	1.1
71.54999	0.5
79.05498	2.1
81.07040	2.4
83.04968	2.0
83.08648	0.6
83.16670	0.6
91.05477	1.5
93.07063	1.8
95.04956	0.8
95.08615	1.3
97.10211	0.5
105.07037	1.5
107.08603	1.7
109.10146	0.7
117.07024	1.1
119.08598	1.4
131.08583	0.8
147.08138	0.7
157.10101	0.6
162.62563	0.6
163.11214	0.5
171.11600	0.6
270.99884	0.5
289.18106	1.9
389.17639	0.9
391.19220	1.7
403.19333	1.7
404.20377	1.0
405.16714	0.8
405.21124	1.3
417.16492	1.1
417.21426	1.0
418.17480	0.6
419.17603	2.7
419.22726	2.0
420.19266	0.8
421.23953	1.7
429.17245	1.1
430.17499	0.7
431.18265	1.1
432.19308	1.2
433.19800	2.6
434.20953	1.1
435.21628	0.9
443.18774	0.8
445.20041	2.8
446.21042	1.4
447.17297	1.3
447.22095	2.6
448.22629	1.7
449.23413	4.3
457.20554	0.9
458.21118	1.5
459.21979	1.6
461.19836	1.9
462.20209	0.9
463.21393	1.8
475.20923	1.2
476.22046	5.4
477.22888	3.6
489.23175	2.6
503.24341	1.1
505.22366	0.5
517.21625	0.5
521.21753	0.7
533.25647	3.1
535.27667	3.1
545.25659	1.8
563.26520	15.2
564.26849	0.8
591.25940	1.5
595.29224	0.7
605.27631	2.0
623.28644	100.0
623.43433	4.3
624.28870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.93896	1.0
55.01880	5.4
55.05271	1.4
55.05513	18.1
55.39509	1.0
57.03445	7.1
57.07071	1.2
59.04994	0.9
61.02938	1.4
65.03933	3.4
67.05507	40.2
69.03426	14.1
69.07065	11.8
69.78406	3.5
69.78817	1.5
71.04995	5.7
76.26913	1.1
79.05499	32.4
81.03423	73.7
81.07060	53.2
83.04988	17.5
83.08620	17.8
85.02910	11.9
85.06548	2.8
91.05485	28.1
93.07048	40.8
93.07638	2.4
95.04974	21.3
95.08607	12.7
97.02895	13.3
97.06544	7.2
97.10180	4.1
99.04443	3.0
99.08102	1.4
99.16003	0.9
101.90456	1.1
105.07032	18.6
107.04967	6.2
107.08592	19.0
109.02882	14.7
109.06561	4.9
109.10179	3.4
111.04440	11.3
111.08094	9.2
113.05988	1.0
115.05471	1.2
117.07021	8.6
119.08575	13.6
121.06538	3.6
121.10150	14.0
122.52731	1.0
123.08083	2.1
123.11733	2.1
125.09634	3.9
127.03907	9.1
129.05443	1.1
129.07002	7.4
131.08566	11.8
133.06476	2.3
133.10135	9.1
135.08040	1.9
135.11688	7.1
137.05998	1.1
137.09596	1.0
141.07028	1.3
143.08661	1.4
145.06480	1.7
145.10141	4.1
147.08051	2.3
147.11685	10.4
149.06026	1.4
149.09641	3.6
149.13277	14.2
153.12737	2.6
155.08514	1.8
157.06476	1.6
157.10118	7.3
159.11682	5.8
161.06047	1.3
163.11192	4.9
164.80516	1.3
165.12727	2.8
169.10167	1.1
173.04521	3.4
173.09673	1.4
173.13353	1.3
175.11220	7.4
177.12782	3.7
181.12155	2.4
189.11263	1.6
191.10654	2.5
193.12230	22.4
193.13852	1.5
195.12061	1.2
195.13800	8.0
199.14845	1.3
209.11670	1.3
211.13281	37.6
213.14903	2.1
227.12766	4.9
231.13664	1.4
249.14952	1.3
252.80963	1.1
267.15961	8.3
269.17499	8.3
273.14951	1.5
275.16455	1.1
283.15540	1.6
285.17102	3.6
301.14487	2.3
303.15961	1.0
318.37949	1.0
321.16901	1.2
337.16580	1.7
339.18219	3.8
341.24683	1.0
351.23364	1.6
355.17401	8.8
369.24335	3.1
377.19714	2.0
387.25296	1.8
395.20724	3.1
411.20261	5.2
413.21927	1.5
435.27206	1.6
443.27969	2.6
461.28964	17.8
479.30133	14.6
503.30356	1.6
545.31042	1.6
569.30865	1.4
575.32819	1.4
587.31897	2.3
605.33942	5.3
623.34271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44420	1.4
53.03948	8.5
53.19893	1.5
55.01859	5.5
55.05511	24.9
57.03440	10.9
61.02929	3.0
65.03938	4.6
67.05507	52.0
69.03429	18.6
69.07068	14.2
69.60863	1.2
70.70711	4.0
70.71063	1.7
71.01363	2.5
71.04980	7.2
79.05146	0.9
79.05494	40.7
81.03419	100.0
81.07057	56.6
83.04993	20.5
83.08615	22.5
85.02905	21.6
85.06540	3.4
85.61620	1.5
86.16939	1.4
91.05483	43.4
93.07047	40.3
93.48228	1.4
95.04973	23.1
95.08615	19.0
97.02895	13.9
97.06535	7.8
97.10178	6.4
99.04437	3.5
99.08128	2.3
101.43397	1.5
105.04535	1.4
105.07029	28.0
107.04970	10.5
107.08599	20.4
109.02884	17.4
109.06516	7.5
109.10139	6.8
111.04452	12.6
111.08068	8.3
113.05931	1.4
115.05461	2.7
117.07023	10.7
119.04958	2.1
119.08572	17.6
121.02865	1.4
121.06537	7.7
121.10145	14.7
123.04433	4.2
123.08051	3.8
123.11723	4.8
125.09634	4.6
127.03934	8.1
128.06232	2.0
129.05536	1.8
129.07011	11.1
131.04898	1.6
131.08563	15.7
133.06491	4.3
133.10139	16.5
135.08070	5.3
135.11719	5.1
137.05984	2.2
137.09705	1.7
139.03931	2.8
142.07782	2.2
143.08583	3.5
145.06470	3.9
145.10149	6.4
147.04431	1.8
147.08031	4.2
147.11694	14.8
149.09601	6.4
149.13223	7.2
151.11195	2.3
155.08519	2.4
157.10132	9.6
159.08107	1.7
159.11691	8.7
161.05971	3.0
163.07590	1.4
163.11205	4.3
165.09171	1.5
165.12813	4.6
169.10080	2.0
171.11769	1.9
173.04427	1.8
173.06108	1.7
173.09619	2.1
175.11200	12.4
177.12727	4.1
181.10248	1.7
181.12241	2.2
189.11246	2.2
191.10704	2.2
193.12244	29.7
193.13858	2.6
195.13799	9.0
209.56261	1.3
211.13293	40.4
217.12109	1.7
227.12813	5.9
235.13306	1.8
255.13957	1.6
257.15326	1.5
261.15057	2.0
267.15927	14.4
269.17523	13.5
273.14871	3.6
275.16498	3.1
277.14240	2.2
281.76910	1.8
285.17093	5.7
301.14163	2.7
303.16040	2.5
309.17081	2.5
319.15491	2.0
321.17154	4.3
337.16437	1.6
339.18021	7.2
351.18036	1.7
355.17404	3.0
369.24307	3.5
371.20679	2.1
375.17996	2.4
377.19815	2.0
387.25314	2.8
393.19220	2.8
395.20529	7.8
407.94110	1.8
411.20151	4.8
413.21735	2.1
419.14160	2.4
443.28006	4.9
461.29001	23.0
479.30087	15.9
495.28641	2.1
503.30051	4.6
531.29535	2.5
541.31799	1.9
545.31042	4.4
557.30792	2.8
569.30878	5.6
587.32245	5.7
605.33209	12.4
623.34204	89.6
624.34521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13774	1.8
51.45832	1.7
53.03947	8.8
54.61752	2.0
55.01868	8.5
55.05515	27.3
57.03439	9.8
61.02928	26.3
65.03943	4.0
67.05507	53.9
69.03432	17.0
69.07082	16.8
69.76263	10.6
71.01358	1.9
71.04989	6.4
71.72030	2.0
73.02919	5.5
79.05495	42.6
81.03423	46.5
81.07059	57.2
83.04992	14.5
83.08620	19.3
85.02908	26.9
85.06556	3.0
91.03956	12.6
91.05482	54.5
93.07043	44.4
95.04974	18.5
95.08605	29.5
97.02892	18.5
97.06550	9.7
97.10179	9.0
98.97103	2.1
99.04485	4.2
99.08138	2.2
105.07036	39.6
107.04981	9.1
107.08604	23.4
109.02863	6.1
109.06543	7.8
109.10158	15.0
111.04458	5.3
111.08091	5.5
115.05454	5.1
117.07027	30.0
119.04965	2.3
119.08579	24.3
120.08127	2.9
121.06492	10.2
121.10135	12.4
123.04463	2.2
123.08053	6.2
123.11704	3.9
125.09641	6.7
127.03931	6.5
128.06216	8.0
129.05533	2.3
129.07016	34.9
130.07790	1.9
131.04933	2.9
131.08585	38.5
133.06514	10.0
133.10121	13.3
135.08063	6.8
135.11708	8.4
137.09615	3.3
141.06984	12.4
142.07793	2.9
143.08569	27.4
145.06529	8.8
145.10123	17.5
147.08075	8.0
147.11708	12.7
149.09639	8.1
149.13257	6.4
151.11263	3.0
153.07002	2.0
153.12669	2.3
155.08572	22.9
157.06569	3.0
157.10152	18.3
159.08076	6.1
159.11700	12.9
161.13321	3.3
163.11182	4.7
165.07068	2.2
165.12740	4.3
167.08546	10.9
168.90442	2.1
169.10126	16.5
171.08075	4.5
171.11711	9.8
173.09634	4.3
173.13251	4.2
175.11211	7.6
177.12781	4.5
179.08571	7.3
181.10118	10.2
183.11722	10.8
185.09575	3.6
185.13283	7.4
187.11205	3.5
187.14767	2.5
191.10606	2.1
193.10168	5.8
193.12279	12.1
195.11731	10.3
195.13728	4.0
197.13246	4.1
199.11249	2.3
199.14819	5.1
201.12782	3.2
203.14334	2.6
207.11679	3.9
209.13278	7.8
211.11403	3.6
211.13293	12.8
211.14980	2.2
213.12872	4.1
215.14384	3.8
219.11642	2.3
221.13281	8.6
223.14928	3.6
225.12729	2.3
227.12714	3.7
233.15408	2.7
235.14958	3.9
239.14299	5.1
241.15916	2.5
257.15485	4.2
267.15909	6.6
269.17471	6.0
271.16934	6.7
301.14316	2.7
303.16162	2.2
315.20990	3.2
323.23602	4.4
333.22208	14.5
341.24686	6.0
351.23209	36.6
369.24268	30.1
387.25351	19.0
415.28381	2.2
425.26944	6.3
434.51660	1.8
443.27994	100.0
459.25610	1.8
461.29010	78.6
462.29434	2.1
479.30008	7.5
485.28711	2.6
503.30072	3.5
569.31158	3.7
587.32379	2.2
605.32617	5.6
623.34186	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	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.9
55.01878	5.8
55.05516	28.2
57.03447	9.0
57.07075	2.4
59.05002	1.8
61.02939	2.2
65.03943	3.5
67.05510	58.4
69.03435	20.4
69.07066	18.5
70.12313	4.8
71.01354	2.7
71.04993	8.9
73.02923	1.9
79.05498	49.0
81.03423	95.8
81.06584	3.5
81.07065	72.3
82.03753	1.8
83.04993	24.2
83.08627	20.7
85.02911	21.7
85.06545	3.0
91.05488	42.0
92.05856	2.1
93.07054	45.2
95.04981	27.4
95.08612	22.4
97.02902	18.5
97.06535	11.9
97.10169	7.3
99.04469	5.2
99.08098	1.5
101.02448	1.7
103.05452	1.8
105.04553	2.0
105.07040	29.3
107.04985	10.8
107.08602	22.8
109.02891	15.0
109.06541	4.9
109.10149	6.7
111.04460	11.3
111.08105	10.7
113.06018	2.1
117.07034	13.7
119.04953	2.2
119.08583	21.7
121.06531	5.6
121.10150	17.0
121.10936	2.0
123.04464	3.3
123.08096	3.1
123.11725	4.6
125.09665	3.8
127.03905	10.5
128.06287	1.5
129.05522	3.0
129.07001	10.6
131.04944	1.8
131.08577	20.9
133.06535	5.0
133.10147	16.2
135.08081	5.1
135.11694	7.4
137.05957	1.9
137.09612	2.2
139.03888	1.9
141.06973	2.0
142.07817	2.6
143.08614	4.0
145.06543	4.9
145.10170	5.9
147.04337	2.1
147.08098	6.7
147.11714	20.0
149.06020	1.7
149.09669	4.3
149.13277	9.8
153.12834	2.6
155.08620	4.6
157.06503	2.6
157.10138	11.7
159.11723	8.0
161.09657	1.5
163.11235	5.4
165.12802	4.1
171.08083	2.7
173.04517	3.7
173.05978	1.7
173.09706	2.9
175.11159	7.4
177.12798	5.2
181.12360	1.6
183.06516	1.7
185.13396	1.5
189.11322	1.5
191.10835	1.6
193.12256	26.4
193.13864	2.6
195.13828	9.6
203.14336	1.6
207.13857	1.5
209.11636	2.4
209.13448	1.9
211.13313	45.9
213.14827	3.4
217.15912	1.5
227.12845	5.5
233.15692	1.9
249.15030	2.1
257.15561	2.3
258.40720	1.7
261.15042	2.9
267.15982	12.0
269.17545	11.4
277.14087	2.0
283.15555	2.3
285.17108	5.5
297.16931	1.5
301.14163	1.7
303.15857	3.4
309.17038	2.5
319.15524	2.1
321.17130	3.6
337.16672	1.6
339.18091	8.7
351.18353	1.4
351.23364	2.7
355.17633	4.3
369.24518	1.9
387.25125	1.6
393.19327	1.6
395.20773	6.1
411.20346	5.0
413.21918	3.1
435.27414	1.5
443.28125	6.3
461.28976	24.5
479.30148	18.0
495.29333	1.9
503.30380	1.8
527.29913	2.1
531.29755	2.0
545.31201	3.7
557.30933	2.1
569.31366	3.1
587.32184	5.1
605.24139	2.4
605.33057	13.6
623.34271	100.0
624.34448	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.05514	28.7
57.07060	6.0
59.04984	2.5
65.03924	4.2
67.05502	33.4
69.03426	17.4
69.07074	47.9
69.87055	3.9
69.87464	8.4
71.04993	5.5
72.96703	1.7
75.27766	2.1
79.05502	19.9
80.54974	2.0
81.03429	27.1
81.07057	100.0
83.04976	7.5
83.08621	17.4
85.02902	17.7
85.06564	11.0
91.05476	19.2
93.06477	3.2
93.07043	50.7
95.04971	15.2
95.08606	70.0
97.02905	11.2
97.06549	12.3
97.10165	25.1
98.21461	2.3
99.04442	8.6
99.08075	4.3
105.07037	30.5
107.04943	4.8
107.08596	50.4
109.02877	25.5
109.06514	8.7
109.09462	3.5
109.10152	39.8
111.04429	7.5
111.08091	15.4
111.11710	10.0
113.06018	2.9
113.09650	2.3
117.07006	4.7
119.08594	24.0
119.38653	1.9
121.02915	11.1
121.06509	6.2
121.10145	43.3
123.04402	4.2
123.08112	10.4
123.11703	53.9
125.02401	2.2
125.09608	8.6
127.03923	16.3
129.07016	3.0
131.08548	9.5
133.06496	3.5
133.10143	21.2
135.08090	4.4
135.11711	21.5
137.05959	5.0
137.09575	6.4
137.13268	19.2
139.03920	4.0
139.11162	14.1
143.08632	4.0
143.10684	3.8
145.04976	3.4
145.06482	3.6
145.10127	15.0
147.04437	2.4
147.08017	4.2
147.11673	20.9
149.05876	2.8
149.09595	8.5
149.13246	27.2
151.03882	3.0
151.11183	9.7
151.14856	3.5
153.12740	7.3
155.08546	3.9
157.10103	9.2
157.12238	6.0
159.11668	12.4
161.09595	8.5
161.13232	12.8
163.11192	8.3
163.14851	11.4
165.05476	2.7
165.09158	6.4
165.12752	7.6
167.07118	3.4
167.14293	4.4
169.10107	3.4
169.12276	2.4
171.11691	8.6
173.09610	6.4
173.13252	7.4
175.11200	4.0
175.14827	7.6
177.12735	4.5
177.16356	4.1
181.12207	2.7
185.13326	2.5
187.11209	4.2
187.13318	5.8
187.14812	4.9
189.09009	3.3
189.16313	4.1
191.10658	2.3
191.14322	4.2
197.61542	2.5
199.14809	3.3
201.16475	4.1
203.12718	4.3
203.17949	4.5
209.15359	2.8
215.14336	5.8
231.17372	4.0
237.18436	2.4
249.18436	3.2
273.17078	2.4
275.23737	4.0
277.25391	2.7
281.17596	5.0
287.23657	7.0
293.24722	7.6
303.22998	2.9
305.24734	28.7
307.26151	2.6
313.16367	8.5
321.24130	2.8
323.25888	18.4
363.21069	2.4
395.25949	4.0
397.22244	2.5
401.26767	5.6
413.26868	8.3
419.27707	6.2
431.28174	17.5
437.28802	8.7
443.35141	2.5
449.28931	26.7
455.30130	12.1
461.29053	2.7
467.30136	23.9
473.31152	2.9
485.31082	7.7
623.41986	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	625.177
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03935	0.3
55.01876	0.4
55.05502	0.7
57.03443	1.5
59.02475	0.2
59.04995	0.2
61.02906	0.8
68.69903	0.2
69.03436	1.5
70.06596	0.3
71.05004	11.2
71.23660	0.4
73.02911	0.7
75.04472	0.7
79.05495	0.3
81.03422	0.8
81.07044	0.7
83.04987	0.8
83.08604	0.3
85.02916	15.3
85.06554	0.3
87.04472	0.7
91.03977	0.3
91.05475	0.3
92.02653	0.5
93.03425	0.6
93.07032	0.5
95.04949	0.4
95.08607	0.6
97.02892	1.3
98.97590	0.3
99.04440	0.3
100.07617	0.3
100.11256	1.0
102.51024	0.2
105.07027	0.4
107.08605	0.5
109.02891	0.5
109.10123	0.7
111.00843	0.2
111.04447	1.0
121.02882	0.9
121.06487	0.2
121.10139	0.3
123.08090	0.3
127.03943	1.1
128.07080	0.4
129.05498	3.3
131.04935	0.3
133.10164	0.3
135.11719	0.2
137.02281	0.3
137.05992	0.4
139.03888	0.8
145.04996	1.0
145.10207	0.2
147.04367	0.2
147.06535	1.2
151.03915	0.6
153.01852	4.7
163.07591	0.3
165.01883	0.4
166.02704	0.2
167.07066	0.3
182.15445	1.4
201.05524	0.4
209.16641	0.3
210.14948	2.1
217.05008	0.5
218.05832	0.5
224.82483	0.2
228.04205	0.7
229.04994	1.9
245.04539	0.7
246.05322	1.2
255.03903	0.2
257.04489	2.3
269.22485	0.2
273.03931	1.5
274.04694	3.5
284.03174	0.3
285.03934	3.6
302.04245	10.2
303.04892	0.2
317.06598	100.0
318.07004	1.1
323.26126	0.4
337.21085	0.3
339.10880	0.6
342.03339	0.3
354.23862	0.3
503.18317	0.2
608.39764	0.4
625.22638	0.5
625.42847	1.6
642.88818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32127	0.4
53.03938	0.5
55.05516	0.7
56.64377	0.4
58.16708	0.4
67.05508	1.4
69.07084	0.4
79.05500	1.5
81.03442	0.7
81.07054	1.5
91.05487	1.1
93.07045	1.1
95.08615	1.1
105.07056	0.9
107.08626	0.7
119.08590	0.6
119.57359	0.4
121.10162	0.5
131.08591	0.5
145.10123	0.6
147.11720	0.5
194.00716	0.4
194.52837	0.4
220.17931	0.4
223.12573	0.4
391.19165	0.6
392.19733	0.5
405.21042	1.0
406.21982	0.6
407.22342	0.5
417.21277	0.4
418.17978	1.5
419.18277	1.1
419.23074	1.0
420.23499	2.2
432.19464	1.4
433.19992	4.4
434.20984	1.2
435.22137	0.9
437.23508	1.1
446.21078	1.6
447.21588	3.8
448.22601	1.5
449.19403	2.8
451.25168	3.3
452.25919	0.9
460.22650	0.5
463.20950	3.1
464.22278	1.8
465.22943	3.8
477.22842	2.5
478.23584	6.6
479.24579	9.0
491.24811	2.7
495.23975	0.7
505.26312	0.9
510.26196	0.6
519.24335	0.6
523.23065	1.9
533.25580	0.6
534.26306	1.0
535.26422	0.5
536.24072	0.4
537.25677	1.5
550.26166	0.5
551.25720	0.6
565.28302	25.0
566.29016	0.8
593.27618	1.0
594.28088	0.5
596.26526	0.7
625.30249	100.0
626.30212	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
53.74389	2.0
55.01878	28.2
55.05524	26.9
57.03433	7.8
57.07077	3.3
60.74927	2.1
65.03938	2.6
66.46365	2.9
67.05170	4.7
67.05512	58.5
69.07074	77.3
79.05503	51.1
81.03437	11.6
81.07062	70.5
83.04990	10.5
83.08625	14.2
85.06516	3.0
91.05489	56.1
93.07051	55.1
95.01328	3.5
95.04958	14.0
95.08614	46.3
97.06535	39.8
97.10190	6.9
98.20772	5.5
99.08110	2.8
103.63278	2.4
105.04559	3.8
105.06317	4.0
105.07035	69.6
107.04984	14.2
107.08607	24.5
109.06530	4.7
109.10151	18.5
111.08081	6.0
115.05470	2.7
117.07028	25.1
119.08592	45.5
121.06543	4.4
121.10158	19.9
123.08096	8.2
123.11742	4.3
125.09663	6.3
128.06265	5.5
129.07016	12.9
131.08588	39.6
133.10155	40.6
135.08081	7.2
135.11728	10.8
141.06993	4.9
142.07782	3.9
142.55299	2.4
143.08557	22.4
143.83893	2.5
145.06544	3.4
145.10114	34.3
147.11710	27.2
147.12790	3.0
149.09651	6.8
149.13287	9.1
155.08574	10.5
157.06523	2.8
157.10117	21.6
159.08104	3.0
159.11725	23.1
161.09662	2.6
161.13280	19.8
163.11206	4.5
167.08571	3.9
169.10143	14.4
171.11665	24.5
173.13274	17.7
175.11235	4.0
175.14926	7.2
177.12764	4.9
179.08636	3.2
179.14388	6.7
181.10149	8.6
183.11717	13.6
185.13261	15.3
185.31377	2.8
187.11255	3.4
187.14867	5.3
189.16388	3.7
193.10248	4.9
193.12320	2.8
195.11777	7.8
197.13327	10.4
199.14885	10.4
207.11867	3.1
209.13225	6.1
211.14864	5.2
213.16542	3.7
223.14929	3.7
225.16347	3.5
231.21161	3.4
239.17964	5.5
241.19522	21.7
257.19138	7.8
259.20523	22.3
263.17911	2.9
273.18515	3.4
275.20087	41.5
275.22791	4.3
286.60013	2.6
293.21378	5.2
315.23257	7.0
325.21814	2.7
333.24210	20.1
349.23776	33.7
404.70105	2.5
417.31256	2.9
419.33218	3.6
435.32559	7.6
437.34232	16.1
453.33896	5.7
466.49725	2.8
501.35846	3.6
511.37988	12.6
513.35675	6.2
515.38995	4.1
527.37585	24.2
529.39136	5.7
533.40228	9.4
551.41193	8.4
553.46014	2.4
555.36169	2.7
556.37823	4.5
607.43610	68.1
625.44745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
51.80985	0.2
53.03950	0.4
55.01881	0.6
57.03435	0.3
61.02919	0.4
62.52297	0.2
67.05508	0.5
69.03436	2.0
69.07072	0.5
69.94367	0.2
71.04973	0.3
71.07479	0.4
76.83614	0.2
77.03963	0.2
79.05496	0.5
81.03426	2.2
81.07062	1.0
85.02906	4.5
85.76791	0.2
87.00822	1.9
91.05489	1.9
93.07056	0.8
94.04192	0.4
95.04989	0.7
95.08614	0.6
97.02890	1.8
97.06522	0.2
99.04453	0.7
103.05467	6.7
105.01891	0.9
105.07051	0.6
107.04956	0.3
107.08604	0.8
109.02888	1.3
109.06524	0.3
109.10172	0.9
115.03973	0.3
115.05460	0.7
116.06223	0.3
117.01884	0.3
117.07027	2.0
119.04948	0.9
119.08615	0.2
121.06482	1.2
122.03657	1.0
123.08052	0.4
123.11755	0.3
127.03920	1.9
128.06226	0.6
129.07042	0.4
131.04933	14.8
133.06505	0.6
134.07268	0.3
135.08061	0.9
135.11581	0.2
136.05246	0.2
137.05980	20.4
143.08571	0.8
145.04956	0.5
145.06497	0.7
147.03056	0.3
147.04404	0.7
147.11607	0.2
149.05963	0.5
149.09644	0.6
151.03932	0.3
151.07545	6.6
157.06468	0.4
159.02922	0.8
161.05988	2.2
161.09616	0.4
162.06795	1.9
163.07545	39.5
167.08536	0.5
169.06476	0.3
171.08078	0.9
174.06744	0.3
175.07527	3.2
177.09109	100.0
178.09500	0.8
187.07590	0.3
187.14786	0.2
189.09093	1.2
193.08647	0.3
195.06500	0.2
195.08096	0.9
195.10159	2.2
201.09050	0.3
203.07054	0.3
203.10658	0.9
205.06580	0.2
207.06548	0.3
207.10030	0.3
219.10112	0.6
221.11726	20.7
223.07614	0.2
224.08211	0.3
225.09108	0.5
227.10748	1.0
231.10251	0.2
233.09825	0.2
235.07516	0.2
249.11288	0.5
250.06194	0.3
252.08105	0.2
253.08514	0.5
253.12257	0.3
255.10217	1.1
257.07883	0.2
265.08624	0.6
265.91565	0.2
267.10120	0.6
268.62451	0.2
269.08179	0.4
278.09286	0.2
281.11725	0.3
285.11172	0.7
287.12866	1.3
293.08237	0.2
293.11661	0.5
297.11142	0.5
299.12878	1.5
311.12808	1.9
313.14478	1.1
325.14133	0.3
327.15839	0.3
331.15387	6.4
332.01321	0.2
335.12668	0.2
341.14026	0.2
343.15445	3.3
345.16962	0.5
355.15268	0.4
367.15298	0.4
371.31577	0.2
421.16183	0.7
439.17645	0.3
475.12405	0.2
483.81192	0.2
490.35382	0.2
525.17279	0.3
543.17993	0.5
561.19641	0.2
626.22125	0.4
627.24011	0.4
630.93658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.5
60.71101	0.3
61.02925	2.9
68.99784	0.3
69.03413	1.0
70.57162	0.3
71.04976	0.9
71.54003	0.4
73.02900	1.1
81.03427	0.4
84.81358	0.3
85.02908	7.1
91.03974	1.9
91.05467	0.3
93.03403	0.3
97.02889	2.0
98.97596	0.5
99.04491	0.5
99.57181	0.3
109.02876	0.6
111.00799	0.8
121.02866	0.9
123.04409	0.4
127.03925	1.4
132.26031	0.2
137.02353	3.3
137.05988	0.4
145.04976	1.4
149.02248	0.3
153.01828	3.5
161.06027	0.4
163.03952	0.6
164.67728	0.3
165.01833	1.9
168.22061	0.3
178.05551	0.4
183.02916	0.8
201.05528	1.5
205.04854	0.3
209.15288	0.8
215.95027	0.3
229.04991	3.2
229.07114	0.4
245.04338	0.4
247.05898	0.7
257.04489	2.7
257.06836	0.5
266.93188	0.3
274.04755	1.1
285.03925	1.2
303.04993	100.0
304.05191	0.6
319.04474	5.0
411.20221	0.3
428.70129	0.3
432.16412	0.3
433.19507	0.3
434.20062	0.3
465.10306	17.6
482.70197	0.3
506.53403	0.3
515.00098	0.3
560.85278	0.3
562.16571	0.3
604.20782	0.4
627.20575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01867	0.7
57.03444	1.3
61.02930	2.3
68.99789	0.5
69.03439	4.4
69.80421	0.3
71.04996	0.6
71.16442	0.4
73.02901	1.1
80.91454	0.2
81.03429	2.2
83.04980	0.2
85.02911	18.8
87.04461	0.7
91.03960	1.1
93.03403	0.4
95.04962	0.3
97.02288	0.4
97.02901	5.4
99.04437	0.9
105.00160	0.3
109.02879	2.0
111.00809	0.7
115.03938	0.3
121.02869	0.8
123.34792	0.2
124.14061	0.3
127.03930	5.0
137.02357	2.6
145.04971	6.7
146.09663	0.2
149.02299	0.3
149.83221	0.2
153.01852	3.1
161.05994	0.3
163.03906	0.4
163.06046	0.8
165.01845	1.8
166.02666	0.4
173.05936	0.5
183.02924	0.7
195.02928	0.3
201.05505	1.3
207.83562	0.2
213.05455	0.2
229.05014	3.4
236.81696	0.2
247.06041	0.8
257.04459	3.0
274.04788	0.6
285.03986	1.0
303.05011	100.0
304.05338	0.8
315.04974	0.4
319.04605	1.7
345.06097	0.5
465.10196	0.9
504.52689	0.3
508.60419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3375
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
51.02363	2.8
53.03936	9.8
55.01863	5.9
55.05510	26.5
57.03218	2.5
57.03441	23.7
64.18646	2.8
64.74094	2.8
65.03951	2.9
67.05504	63.7
69.03429	20.9
69.07072	19.2
70.91362	5.6
70.91718	3.3
71.01353	6.4
71.04987	8.9
73.02912	4.9
77.03912	2.8
79.05491	65.3
79.66066	2.3
81.03417	100.0
81.07053	46.5
83.04976	39.4
83.08614	25.9
85.02901	19.7
85.06551	5.9
91.05488	39.5
93.07043	63.4
95.04975	28.0
95.08597	18.0
97.02898	20.4
97.06535	12.2
97.10154	13.8
99.04440	4.4
105.04555	3.4
105.07024	32.7
107.04933	8.3
107.08591	41.1
109.02893	9.3
109.06503	8.8
109.10147	16.1
109.22969	2.6
111.04441	11.3
111.08098	13.8
113.05989	3.0
115.05476	2.5
117.07015	9.7
119.08568	24.9
121.02854	2.9
121.06491	5.2
121.10186	17.6
123.08056	4.3
123.11743	3.0
125.06033	3.6
125.09631	4.3
127.03900	10.1
129.05460	10.3
129.06998	10.4
130.07739	2.8
131.08588	10.8
133.06458	2.7
133.10121	16.6
135.08061	3.2
135.11693	59.0
137.09685	3.3
143.08511	3.9
145.10110	13.1
147.08069	4.5
147.11694	16.4
149.09601	5.0
153.12779	4.4
157.10144	10.4
163.11215	13.7
163.12407	2.6
175.11185	13.1
181.12306	15.3
191.10645	3.2
193.12233	45.8
211.13295	49.6
215.98808	3.0
227.12735	4.2
229.14313	3.3
255.15909	89.4
267.15887	25.1
285.16971	17.9
325.16357	3.9
355.17404	5.2
399.20148	9.5
411.20255	4.9
429.21286	14.6
447.27377	53.4
448.27591	2.9
465.23346	3.5
465.28439	80.8
591.31653	5.1
609.32715	55.1
627.30432	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	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.3
53.53686	2.4
55.01871	23.0
55.05515	33.2
57.03437	16.7
57.07079	3.7
61.40738	1.9
65.03930	5.9
65.25194	1.8
67.05505	86.4
69.03423	3.1
69.07073	45.9
69.71216	11.5
71.04975	4.3
79.05498	72.2
81.03427	10.0
81.03825	2.1
81.07060	95.2
83.04978	8.3
83.08612	11.6
85.06567	3.8
91.05485	81.6
93.07044	75.0
93.07634	3.9
95.01328	9.1
95.04969	10.8
95.08611	62.8
95.30869	2.0
97.06536	34.9
97.10181	6.6
98.21550	1.9
99.04507	2.5
103.05457	2.8
105.04510	2.4
105.07037	79.3
107.04966	18.7
107.08604	33.8
109.06525	6.2
109.10167	21.8
111.08074	4.8
117.07040	22.4
118.97838	2.0
119.08578	50.3
121.06524	3.8
121.10123	23.4
123.04457	2.8
123.08054	7.0
123.11728	5.3
125.09681	3.7
129.07042	3.4
131.08572	37.5
133.10130	46.4
135.08049	4.6
135.11684	14.6
137.09628	2.8
137.13312	2.4
143.08534	5.1
145.10124	25.6
147.11679	19.5
149.09627	6.8
149.13252	5.7
151.11143	2.4
157.10112	2.7
159.11693	15.2
161.13293	5.9
163.11130	5.0
165.09091	2.9
169.10162	2.2
171.11711	2.6
173.13185	5.5
177.12766	3.6
179.14311	14.9
189.11220	2.6
201.16365	3.9
218.27718	2.2
219.17429	55.4
226.57948	2.1
229.19514	3.4
239.17880	2.4
257.18964	7.9
261.22205	4.0
275.20059	98.6
293.21182	6.0
335.25793	87.1
349.23740	28.4
406.12625	2.1
415.34338	1.9
442.29037	2.0
609.45117	100.0
621.63757	2.9
627.46350	12.0
627.66425	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	629.2724
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
50.26528	0.4
51.42641	0.4
63.18270	0.3
69.07043	0.3
69.38509	3.4
89.06025	1.2
91.42053	0.4
129.75009	0.4
133.08669	0.9
143.48395	0.4
177.11211	0.4
183.83685	0.4
195.75883	0.4
283.84677	0.4
415.25150	0.6
529.92859	0.4
542.33051	0.4
629.27325	100.0
630.27740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.0
57.07077	6.0
58.06585	2.1
65.03923	1.0
69.07059	0.7
69.38894	0.7
70.06593	17.3
71.08620	0.9
71.54086	0.8
71.88109	0.6
72.15800	0.6
77.43225	0.6
81.07053	1.0
84.60317	0.8
85.02869	0.7
85.10149	0.8
86.09705	0.7
88.07632	18.1
91.05486	1.0
93.07070	1.0
93.92846	0.7
95.04951	0.7
102.09189	14.2
105.06964	0.7
106.14577	0.8
107.72630	0.7
117.26820	0.7
131.04977	0.7
133.10110	0.7
133.71198	0.7
138.00717	0.6
143.87471	0.6
144.43974	0.7
149.02342	35.8
149.03331	1.6
175.03920	0.9
177.05487	1.3
193.04961	43.4
202.65779	0.6
219.06593	1.1
225.05544	0.7
228.23232	42.1
237.07581	9.4
269.04483	0.9
272.25955	1.3
297.03918	2.1
313.07083	2.7
341.06540	7.8
359.07642	5.8
368.01532	0.8
385.09152	19.2
403.10553	0.8
429.11768	23.6
473.27856	0.7
607.07770	2.3
610.45911	0.7
612.31738	1.2
630.32715	100.0
631.33173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
57.03436	0.5
62.42136	0.4
64.89888	0.4
67.05514	0.7
69.03432	0.8
69.85539	2.4
70.06592	1.9
71.04998	0.6
79.05492	1.2
81.03419	1.2
81.07060	1.0
83.04978	0.4
85.02934	2.2
91.05504	1.3
93.07043	1.0
95.04964	1.1
95.08598	1.2
97.02873	0.9
97.06502	0.4
98.21482	0.5
105.07032	1.7
106.02884	0.5
107.04970	1.4
107.08603	0.6
109.02885	1.1
109.06509	0.4
109.10168	1.0
112.07621	1.7
117.06982	0.6
119.08615	0.7
121.06497	0.8
121.10165	0.9
123.04438	1.6
124.03948	1.2
124.07639	0.5
125.05965	0.5
125.09649	0.5
127.03937	1.3
129.06940	0.4
131.04936	0.8
131.08527	0.5
133.06549	0.5
133.10123	0.5
135.04454	0.5
135.08046	0.5
135.11726	0.5
137.05975	3.9
140.07103	0.9
147.04431	2.1
149.09688	0.7
151.03934	1.4
157.06488	0.5
159.11711	0.4
161.05998	1.8
161.09579	0.7
162.75932	0.4
163.03999	0.5
163.07594	1.0
165.05515	0.5
167.07053	5.4
168.07358	0.9
175.07545	0.8
177.05368	0.5
179.07164	0.6
180.60124	0.5
181.04987	1.3
187.07436	0.5
193.08534	0.5
203.05309	0.6
205.08514	0.5
215.35251	0.4
219.10109	0.5
223.07668	0.6
226.72858	0.4
245.06432	1.2
271.14301	0.5
289.05334	1.5
297.11429	0.6
303.08563	0.5
311.12711	0.9
315.08752	1.0
329.13959	1.5
330.10968	1.0
377.01746	0.6
383.14691	1.6
411.14450	0.6
426.86292	0.5
470.51950	0.4
527.18817	0.6
545.19971	5.5
587.20972	28.3
631.19916	100.0
632.20410	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03946	1.7
53.66323	0.6
54.84720	0.5
55.01868	0.9
55.05516	7.0
57.03440	10.2
57.07084	0.9
61.02921	2.4
65.03932	0.8
67.05513	27.3
67.82002	0.5
69.03429	0.9
69.07073	8.5
69.38797	3.9
71.01349	2.5
71.05013	2.8
73.02916	0.9
75.86198	0.5
77.03893	0.5
79.05500	26.1
81.03426	4.5
81.07065	13.0
81.84561	0.5
83.04989	6.3
83.08616	2.5
85.02909	1.9
85.06548	2.2
91.03946	0.9
91.05489	10.7
93.07052	31.7
95.04971	2.4
95.08613	4.3
97.02879	1.3
97.06542	7.9
97.10165	6.7
99.08095	1.9
105.07020	3.2
107.04957	1.2
107.08605	22.1
109.06549	1.0
109.10179	3.8
111.08094	1.6
117.07053	2.9
119.08620	5.0
121.06544	1.1
121.10172	5.5
121.15494	0.5
123.08070	0.5
123.11736	0.6
125.09584	1.4
130.78815	0.5
133.10162	2.3
135.08058	0.8
135.11708	40.0
137.09660	1.1
139.03889	0.7
145.10127	6.8
149.02374	0.6
150.44264	0.5
153.12766	1.7
163.06107	0.5
163.11217	5.3
181.12285	6.5
193.12381	0.5
193.68430	0.5
199.13319	2.0
255.15939	55.2
289.44421	0.5
350.16458	0.5
354.55438	0.5
435.27472	100.0
436.27820	1.6
632.33215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.1
55.05511	2.5
57.03436	12.6
59.05000	2.1
61.02923	29.9
67.05507	4.3
69.03425	17.2
69.07063	2.9
69.89144	10.1
71.01366	4.3
71.04988	1.8
73.02915	39.6
73.25366	1.9
79.05493	2.8
81.03410	5.3
81.07046	7.0
82.27209	1.7
83.05003	2.9
85.02902	89.7
87.04509	4.4
91.03951	32.9
91.05508	4.1
93.07046	5.5
93.52554	1.9
95.01328	25.6
95.04949	3.2
95.08614	6.2
97.02888	65.4
98.20763	2.2
99.00817	2.8
99.04453	3.9
103.03925	6.1
105.07034	5.5
105.22734	1.8
107.08569	5.9
109.02856	4.6
109.06535	1.8
109.10191	4.5
113.02386	4.0
115.03914	23.4
117.06999	2.9
119.08592	6.2
121.10159	4.7
123.00827	2.8
123.11714	2.6
127.03916	31.5
131.03421	2.9
131.07439	2.1
131.08583	3.5
133.04977	24.2
133.10155	3.5
135.11644	3.0
137.09605	2.9
141.01820	100.0
145.04955	38.8
145.10121	5.3
147.11716	2.3
157.05031	2.5
159.02885	21.2
163.06018	73.3
163.07407	3.8
167.07167	2.4
171.11760	2.7
177.04007	1.9
189.16324	3.3
194.96613	2.2
195.45409	2.2
217.07016	5.1
219.04942	4.0
255.05109	2.3
259.08154	5.5
273.06033	6.8
282.62820	2.1
285.06088	2.3
291.07056	5.3
295.10196	6.7
303.07303	2.8
321.08209	5.6
339.09213	2.3
351.88943	2.0
432.19208	5.2
492.21103	6.2
633.29968	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	633.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.2
55.01876	3.1
57.03442	12.5
61.02933	32.8
67.05524	4.8
67.56082	1.9
69.03439	24.3
69.07067	2.4
71.01362	5.0
71.04990	4.4
71.53853	2.3
73.02562	3.4
73.02929	47.5
79.05479	4.4
81.03413	4.5
81.07054	6.9
85.02917	79.9
87.04461	3.5
88.70330	2.1
91.03965	38.0
91.05491	4.9
93.07043	2.7
95.01336	25.8
95.04951	2.2
95.08618	5.8
97.02293	4.5
97.02904	74.3
97.03529	4.5
99.00818	3.4
99.04418	2.6
101.02363	2.0
103.03948	8.9
105.07040	5.0
107.04999	2.1
107.08619	5.5
109.02876	10.6
109.10139	4.3
113.02374	5.9
115.03941	22.2
117.07000	2.3
119.08614	5.7
121.10126	3.0
123.00778	3.6
127.03934	33.7
133.04980	28.1
133.10153	4.2
135.08067	2.7
139.03914	3.6
141.01845	100.0
145.00894	2.1
145.04976	39.7
145.10158	4.0
149.09776	2.2
159.02922	24.9
159.11707	4.7
163.06033	74.2
173.04538	3.6
177.03981	5.1
191.17879	2.1
215.14259	2.1
217.07133	6.2
219.05020	7.5
255.04855	4.4
259.08145	6.7
259.98148	2.2
273.06058	6.8
277.09332	2.5
285.06152	2.4
291.07004	2.5
295.10202	7.8
309.08606	2.1
321.08185	7.5
325.11624	2.5
339.09271	9.1
432.19345	2.8
492.21219	7.9
585.80353	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	633.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05512	5.4
57.03453	1.1
57.07073	1.9
59.21637	0.7
61.02920	0.7
65.03928	0.8
66.26213	0.6
67.05512	11.1
67.39927	0.6
69.03429	2.6
69.06723	1.1
69.07072	12.0
70.86153	1.6
73.02913	1.6
79.05502	6.8
80.62726	0.6
81.07066	15.7
82.13730	0.7
83.08630	5.3
85.02911	6.5
86.81239	0.7
87.41779	0.7
87.50050	0.6
88.10333	0.8
90.85938	0.6
91.05474	6.2
93.07050	19.0
95.01323	3.7
95.05001	0.9
95.08617	36.6
97.06540	5.5
97.10166	2.7
103.05473	0.8
105.07043	22.1
107.07870	1.3
107.08604	26.5
109.06525	2.7
109.10167	38.1
111.08084	4.3
111.11694	0.9
113.02349	2.6
117.07047	1.7
119.08591	26.8
121.06531	5.8
121.10156	32.0
123.08069	1.4
123.11735	11.4
127.28917	0.7
128.06245	0.9
128.71960	0.7
129.06950	1.4
131.03416	1.4
131.08572	7.4
131.18867	0.7
133.10143	16.8
133.96663	0.7
135.08070	6.8
135.10693	1.2
135.11707	23.6
137.09647	1.4
137.13237	3.3
141.01831	6.3
142.07794	1.2
143.08536	3.5
145.10138	13.2
146.10938	0.9
147.08078	4.8
147.11708	10.6
149.09654	4.3
149.13264	11.3
151.11206	1.0
156.09367	1.1
157.10138	5.9
158.10757	0.7
159.02892	1.6
159.11725	8.7
161.09669	5.1
161.13260	8.8
163.11151	0.7
163.14842	7.8
169.10121	1.2
170.10954	1.5
171.11656	5.4
173.13295	7.0
173.92146	0.7
175.11263	4.2
175.14832	12.5
177.12689	0.7
177.16385	3.9
178.78635	0.7
179.14304	0.7
183.11685	1.3
184.12512	1.4
185.13278	2.4
187.11328	0.8
187.14847	13.3
189.12802	1.8
189.16396	15.3
191.14404	3.4
191.17964	100.0
192.18376	1.1
193.15973	1.0
197.13298	1.3
199.14784	4.2
201.16409	12.5
203.14334	20.9
203.17955	12.1
205.15883	6.3
205.19580	4.6
207.17497	1.6
211.14868	1.0
213.16402	6.4
215.14331	1.6
215.17976	4.9
217.15936	11.8
217.19472	5.7
219.17522	5.1
219.21037	2.2
221.15414	0.9
223.17029	0.8
227.17993	2.0
229.15907	2.1
229.19507	1.2
231.17445	8.2
231.21085	1.1
233.15428	2.5
233.19020	0.8
235.16957	23.5
241.19550	1.0
243.20988	1.6
247.16927	1.1
249.18541	20.9
253.19530	0.7
259.20483	0.8
275.19983	0.8
275.44064	0.7
338.17587	0.8
379.30066	1.0
391.33578	0.9
403.33655	3.8
409.34607	3.0
421.34738	11.8
427.35825	3.2
439.35776	43.4
440.36719	0.9
457.36774	5.5
467.41589	0.7
526.07971	0.9
615.39185	1.1
633.39954	1.2
643.91266	0.7
652.42401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0879
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
53.03930	3.2
55.01871	16.7
61.02942	2.6
68.99781	10.6
69.03419	7.8
71.53482	3.6
73.02909	2.6
74.11578	1.9
79.05473	4.4
81.03410	7.3
81.90678	2.3
83.04988	3.7
84.41578	2.3
85.02894	11.5
91.05477	5.0
97.02868	7.4
99.10845	2.2
99.49413	2.2
103.05464	3.9
107.04969	8.1
111.04380	3.3
118.74080	2.2
121.02863	5.6
122.99637	2.3
123.04431	3.2
131.04839	3.2
133.02882	3.8
135.04407	8.6
137.02388	2.2
137.05962	4.4
139.03903	51.0
141.01767	3.6
147.04393	6.6
151.03908	9.1
153.01875	7.7
161.02428	3.5
162.03122	2.5
163.02544	5.5
163.03914	100.0
165.01837	3.2
165.05461	5.3
165.07004	3.2
167.07030	3.3
171.04533	2.5
175.03941	15.1
176.03397	2.9
177.01810	7.6
177.05490	12.4
179.03436	4.2
187.03920	4.0
189.01846	5.9
189.05446	8.3
189.07007	3.3
191.03362	4.6
193.01256	4.0
199.03893	3.1
201.05470	8.4
202.02728	2.5
202.99593	3.8
203.03307	4.5
205.01393	3.2
205.04935	12.8
205.06619	3.3
213.05348	3.4
215.03412	5.6
217.04936	13.6
221.00778	7.8
225.05486	2.9
229.04930	18.0
231.02925	2.9
233.00768	4.3
235.02293	3.8
237.00346	6.6
237.05411	5.7
239.03322	6.9
241.05013	7.0
243.02869	3.4
247.05994	7.9
249.00237	5.5
249.05455	5.4
253.04921	6.9
255.02910	8.5
257.04489	4.5
259.02509	5.3
261.00317	4.9
261.05444	3.8
265.04782	5.5
265.07242	4.7
267.03079	5.5
267.06100	2.8
269.04556	6.0
270.53140	2.8
271.02206	6.4
273.00385	2.7
277.03265	3.9
281.04453	8.6
283.02457	5.9
283.05536	3.4
287.01846	4.8
291.06281	4.7
293.04367	10.8
295.02402	4.8
295.05701	3.9
297.00354	3.4
297.03873	6.7
299.01846	7.8
301.04025	3.4
303.01178	4.2
305.04453	5.5
307.02435	3.2
307.05902	4.7
309.03824	9.6
311.02048	4.5
311.05298	6.3
315.01401	5.0
317.04251	3.3
319.02338	4.5
319.05832	5.4
321.03918	10.6
323.02036	5.5
323.05392	7.8
325.03455	6.6
329.04047	4.1
331.05988	5.9
333.03818	4.8
335.01700	3.7
335.05441	5.5
337.03406	8.9
339.04987	5.6
345.04044	5.6
347.05518	5.6
349.03329	9.8
351.01270	4.9
351.04999	13.7
353.02808	10.2
355.04990	2.9
359.05576	3.9
361.03333	4.6
363.05002	10.6
365.02911	9.7
367.04507	10.0
373.03009	4.6
375.01062	3.5
375.05106	5.3
377.02844	11.3
379.04544	10.6
381.02475	8.9
387.05084	4.3
389.02664	5.9
391.00137	2.9
391.04593	12.0
393.02271	15.7
395.03967	10.4
399.04770	5.0
403.04361	6.7
405.02368	8.8
407.04022	11.1
409.05600	6.5
411.03485	3.0
413.02817	3.1
415.04440	8.3
417.06436	5.1
419.04105	4.1
421.01804	6.9
423.03369	3.0
427.04309	3.7
429.06223	3.6
431.03790	9.3
433.01147	5.2
433.06168	3.5
435.03116	12.2
439.02863	3.3
443.03882	3.0
445.06137	5.5
447.03659	4.5
449.05087	3.2
451.02628	3.1
453.04446	5.4
455.03732	3.6
457.05609	3.6
459.03281	2.8
463.07080	3.0
473.04913	8.5
477.04559	5.5
479.02094	7.1
489.04593	5.6
499.03464	2.7
501.04324	7.0
503.02084	2.9
509.06610	2.8
515.36871	2.6
517.03796	3.3
519.05261	6.6
531.77905	2.7
535.04694	6.6
537.06757	3.5
545.03131	5.0
553.05731	5.2
555.07727	4.3
563.04559	7.9
571.06921	9.2
573.08917	7.1
581.05542	7.3
589.07825	5.6
599.06714	49.7
607.09015	5.9
617.07648	28.3
635.08740	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	635.2869
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
50.56792	0.4
67.05503	0.6
71.13523	0.6
71.13848	0.8
73.10651	0.5
93.07054	0.6
93.58286	0.5
93.79340	0.5
97.14404	0.5
107.08627	0.6
109.10188	0.5
118.74819	0.5
124.89446	0.6
195.13968	0.6
233.10872	0.6
233.99811	0.5
274.74588	0.6
389.18054	0.8
402.18643	0.8
403.19363	2.2
404.20053	1.1
405.20944	1.4
416.20407	0.7
417.21451	2.7
418.21585	0.9
419.22693	0.9
426.44861	0.6
430.17694	0.9
431.18024	5.3
432.19550	1.7
433.24142	1.9
444.19534	0.7
445.20099	6.5
446.21063	1.7
447.21576	0.8
459.22037	2.3
460.22711	2.1
461.23785	3.4
471.22400	0.7
473.19180	1.0
475.21255	1.1
487.20889	0.6
488.22098	2.9
489.23065	4.2
501.23199	1.3
505.22885	0.8
515.24500	0.9
519.27502	0.9
532.25098	0.8
533.25702	0.9
547.27612	6.6
575.26599	19.5
607.28961	1.1
635.28687	100.0
636.29095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.8
55.01873	13.9
55.05262	2.0
55.05508	20.6
57.03452	6.9
59.04995	2.8
65.03935	2.2
67.05502	21.0
69.03075	1.8
69.03428	19.2
69.07066	8.1
69.42757	8.3
71.01367	1.9
71.04990	9.4
73.02905	1.5
79.05492	30.5
81.03416	85.4
81.07055	23.7
83.01340	7.8
83.04975	22.0
83.08622	13.0
85.02901	11.5
85.06524	2.4
91.05483	24.2
93.07048	32.0
95.04973	12.7
95.08611	13.3
97.02886	16.8
97.06530	8.2
97.10170	5.1
99.04462	10.7
105.04491	1.2
105.07032	14.1
107.04945	13.0
107.08590	18.6
109.02884	19.8
109.06537	11.7
109.10159	5.4
111.04431	9.3
111.08059	5.4
115.05482	1.9
115.24238	1.0
117.07008	12.8
119.08571	12.8
121.06520	5.6
121.10139	10.7
123.04403	1.9
123.08044	8.6
125.06036	1.7
125.09618	6.0
127.03929	15.2
129.07004	4.0
130.07797	2.5
131.08595	5.2
133.10136	4.4
135.08055	3.4
135.11691	17.5
137.06017	2.0
143.08556	2.2
145.06468	2.5
145.10127	16.4
147.04349	1.2
147.08041	3.9
147.11671	2.4
149.06042	2.8
149.09610	1.7
153.12758	11.7
155.08577	1.8
159.11748	2.0
161.09613	2.3
163.11177	29.8
165.05540	1.9
171.08153	1.3
173.04465	6.1
173.09616	5.7
181.12228	10.5
189.09212	1.8
189.11220	3.7
191.10649	8.1
193.12317	1.5
203.10709	1.1
209.11707	12.0
211.13333	1.6
223.13283	2.4
225.11185	1.2
227.12779	23.4
265.14371	2.2
283.15390	6.4
289.14310	1.6
308.87033	1.0
311.14462	1.3
317.13882	1.8
335.15030	2.4
353.15921	23.0
369.76349	1.1
371.22375	1.3
409.18506	6.3
449.25092	1.3
458.16757	1.2
463.26816	3.3
473.25146	2.7
491.26361	4.9
512.74774	1.1
561.26489	2.6
617.29425	3.0
635.30438	100.0
636.31079	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	635.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.8
53.03959	14.9
55.01866	6.7
55.05515	31.1
57.03443	12.8
65.03948	5.9
67.05180	4.2
67.05511	53.4
68.30200	2.7
69.03435	23.0
69.07076	12.6
70.66964	2.4
71.04991	11.1
71.53836	3.5
79.05502	82.0
81.03427	100.0
81.07066	54.8
82.44289	2.5
83.04989	25.5
83.08627	18.9
85.02917	17.9
85.06523	4.8
87.85499	2.2
87.90195	2.5
91.05491	75.8
92.91136	2.4
93.07053	70.6
95.01327	3.1
95.04980	34.4
95.08624	29.6
97.02895	20.8
97.06543	10.5
97.10158	7.3
99.04446	8.1
103.05455	4.0
103.79186	2.4
105.04556	4.2
105.07041	60.5
107.04973	15.9
107.08603	27.7
109.02890	11.3
109.06525	7.6
109.10131	12.4
111.04435	13.1
111.08111	7.1
113.06062	2.9
115.05424	4.2
117.07018	15.6
119.04977	3.2
119.08594	40.2
121.06509	9.5
121.10162	14.8
123.04478	4.3
123.08072	5.8
123.11665	4.7
123.86388	2.4
125.09621	5.5
127.03910	10.6
128.06232	3.3
129.07021	27.0
131.08582	19.1
133.06493	4.7
133.10117	22.5
135.04437	2.5
135.08067	6.1
135.11717	10.1
137.09669	3.2
141.07005	4.7
143.08543	11.9
145.06506	4.7
145.10126	14.6
147.08078	4.9
147.11696	37.5
149.05936	2.9
149.09639	7.2
153.12752	3.3
155.08559	4.6
157.10144	8.8
159.11700	5.5
161.09644	5.7
161.13269	11.8
163.11214	7.0
165.12808	5.8
167.08641	3.8
169.10077	3.9
171.08070	4.2
171.11707	21.6
173.04469	8.1
175.11266	8.7
181.12292	3.1
185.09619	5.6
189.11333	2.8
189.12865	12.1
189.16466	2.5
191.10635	5.0
193.12230	24.9
200.59761	2.6
207.13840	25.7
209.13350	3.2
211.13278	32.0
227.12825	5.9
233.15472	3.4
267.15936	11.8
269.15594	3.0
274.78293	2.1
279.15790	2.2
281.17474	25.4
285.10162	3.1
285.17099	4.4
287.16403	3.6
315.15979	4.9
337.16953	3.2
355.17740	5.7
361.20145	3.7
382.30588	2.5
411.20255	7.1
473.28860	18.9
491.30066	15.6
553.31854	3.1
564.41010	2.8
571.32538	3.4
599.32544	3.3
615.88995	2.8
617.33350	11.9
635.34241	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01872	1.8
55.05513	8.5
57.03438	9.7
57.07091	0.8
59.05000	3.0
61.02927	3.2
65.03947	0.7
67.05508	56.6
68.05817	0.9
69.03433	3.9
69.07072	4.3
69.52112	4.0
71.04994	3.8
73.02911	1.7
79.05068	1.0
79.05493	9.9
81.03420	31.1
81.07059	17.5
83.04982	7.4
83.08149	1.0
83.08626	13.5
85.02428	1.2
85.02911	15.3
85.06536	2.3
91.03958	1.6
91.05488	16.1
93.07045	9.4
95.04975	11.3
95.08620	6.9
97.02891	4.8
97.06528	2.2
97.10147	2.1
105.07037	10.0
107.04954	3.6
107.08606	3.9
109.02934	1.2
109.06512	2.6
109.10162	48.8
111.04476	1.4
111.08092	7.8
113.06021	1.6
117.07040	0.8
118.65969	0.7
119.08591	12.5
121.06498	1.9
121.10152	4.9
123.08051	1.0
123.11728	1.2
125.09641	1.8
127.03927	1.6
129.07031	4.9
131.08577	6.1
133.06522	1.7
133.10110	5.1
135.11720	1.0
137.09624	3.8
142.07802	1.4
145.10178	1.5
147.08014	1.6
147.11690	8.2
149.09618	3.5
155.08696	0.8
155.10669	4.3
157.10139	6.9
161.09637	0.8
163.11223	1.6
165.09113	0.7
165.12793	2.2
173.11763	11.1
175.11182	7.6
193.12254	20.8
209.08185	1.0
211.13300	33.3
215.19991	0.7
229.14354	57.0
230.14795	0.8
267.15942	12.7
285.16986	29.5
403.24384	0.8
421.25839	15.0
439.26938	100.0
440.27060	2.0
537.96338	0.7
583.31067	1.3
637.32410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01867	1.7
55.05267	0.8
55.05516	9.5
57.03442	10.8
59.04993	2.2
61.02925	3.5
61.74612	0.6
65.03934	1.6
67.05508	56.7
69.03427	2.8
69.07063	4.1
69.88219	1.5
69.88629	1.7
71.05001	4.2
73.02911	1.3
79.05500	9.4
81.03421	29.9
81.07060	16.8
83.04981	6.7
83.08623	15.0
85.02906	12.1
85.06534	2.3
91.03958	1.4
91.05482	14.5
93.07053	9.8
95.04977	11.9
95.08606	8.2
97.02922	3.9
97.06519	2.0
97.10179	1.9
98.20696	0.6
99.08049	0.7
105.07040	8.5
107.04954	3.1
107.08594	4.6
109.02898	1.2
109.06541	2.0
109.10161	48.9
111.04426	1.0
111.08090	7.8
113.06012	1.4
115.05473	1.1
117.07035	1.1
119.08591	10.5
121.06557	0.6
121.10141	5.1
123.08053	1.1
123.11728	0.9
125.09588	0.7
127.03957	1.1
129.07007	4.7
131.08566	5.1
133.06497	1.7
133.10124	5.4
137.09608	3.5
142.07803	1.1
145.10106	1.0
147.08043	1.2
147.11681	6.8
149.09633	3.4
155.10718	4.0
157.10153	6.7
158.60036	0.7
163.11150	0.7
165.12752	2.2
173.11743	10.3
175.11179	7.0
193.12259	19.4
211.13301	32.8
227.12747	0.7
229.14365	52.8
235.17049	0.9
236.17264	0.6
258.15875	0.6
267.15918	10.9
285.16986	29.3
307.29987	0.6
328.39868	0.7
355.48605	0.9
403.25067	1.1
421.25867	15.3
439.26935	100.0
440.27271	1.3
590.40717	0.8
612.40576	0.6
637.31372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00435	0.6
53.55273	0.5
57.07059	0.6
67.05499	0.8
79.05470	0.9
81.07022	1.6
81.80965	0.6
81.81552	0.6
93.06999	0.7
96.48841	0.6
98.21519	1.6
105.06990	0.5
107.08585	0.7
109.10129	1.1
119.69831	0.7
124.92709	0.5
124.95129	0.6
147.11584	0.7
161.48277	0.5
162.99904	0.6
224.75362	0.7
251.11916	0.6
266.76984	0.6
374.16449	0.8
385.14502	0.7
386.15707	0.8
387.15915	1.0
391.18936	1.9
392.19949	0.7
393.20679	1.7
399.16046	1.9
400.16898	2.2
401.17630	3.6
402.18494	0.8
403.19388	0.7
404.20087	0.8
407.22214	2.7
412.17166	1.0
413.17786	2.9
414.18509	4.1
415.19461	6.9
421.20151	2.1
425.17618	0.9
427.19504	1.5
428.20435	3.2
429.21362	8.0
430.21530	1.9
435.22064	1.7
437.17395	0.6
441.16830	1.0
442.17639	0.9
443.18240	3.0
443.22562	3.7
444.18579	4.2
444.24701	1.0
445.20306	1.2
447.17770	1.1
455.18872	1.1
456.19656	1.1
457.20444	4.7
458.21188	5.0
471.22244	7.4
472.22977	5.2
473.19727	4.4
484.19601	0.7
485.19705	2.3
486.20462	6.2
487.21213	1.9
488.21988	0.9
490.19977	1.9
499.21317	10.9
500.21912	2.6
502.19617	0.9
503.25290	3.5
513.19202	1.6
514.19763	1.1
516.21686	1.2
517.22302	3.4
527.20599	3.1
528.21722	1.7
531.23956	12.2
543.23792	0.9
549.24982	1.4
559.23425	85.7
560.23853	1.0
587.23004	14.0
619.25513	100.0
620.26160	2.1
637.26648	13.8
637.42798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07040	1.3
69.07059	1.4
71.45979	2.0
83.43357	1.1
142.12263	1.3
379.33969	1.3
405.20789	3.1
406.21683	4.5
413.18069	2.4
414.18851	1.6
415.19418	3.5
419.22656	1.9
420.23151	3.1
421.23785	7.1
427.19293	1.5
428.20184	2.9
429.20828	8.1
430.21790	2.3
443.22650	3.9
444.23346	2.7
445.20282	3.4
458.25046	5.6
459.22055	7.8
460.22656	4.6
461.19568	6.7
472.22766	4.8
473.23325	1.7
475.20862	2.0
476.22333	3.3
485.23596	8.2
486.20407	1.5
488.22089	2.6
500.31659	1.4
503.24667	12.1
513.23114	2.7
517.26068	6.8
535.27075	17.8
545.25555	61.3
563.26843	4.0
573.24908	15.2
605.27655	52.1
606.27710	1.4
637.30255	100.0
638.30664	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	637.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.46222	0.5
55.01864	0.7
55.05523	2.6
55.49477	0.5
57.03436	2.5
61.02935	2.4
63.08660	0.4
67.05513	6.1
69.03433	2.7
69.07082	1.2
69.82800	1.3
69.83201	1.2
70.28273	0.4
71.01364	0.8
71.04980	0.6
73.02922	1.8
79.05506	5.3
81.03433	5.2
81.07070	4.4
83.04990	1.2
83.08612	1.3
85.02915	4.1
91.03960	1.8
91.05488	4.8
93.07047	6.3
95.04986	1.8
95.08624	1.7
97.02882	3.3
97.06541	1.6
97.10178	1.9
99.04476	1.2
101.02384	1.0
101.05997	1.2
105.07056	2.0
107.05001	1.2
107.08603	4.3
109.02903	2.0
109.10205	1.3
111.04454	1.9
111.08050	1.2
111.55914	0.5
117.07039	1.2
119.08607	2.3
121.10174	1.6
123.08112	0.6
125.09660	0.9
127.03923	1.7
129.05510	0.8
129.07019	0.7
131.08568	1.0
133.10219	1.0
135.08119	0.7
135.11707	6.1
142.92039	0.5
145.10146	2.0
147.06573	0.6
147.11714	1.1
157.10214	0.6
163.11266	1.5
165.09116	1.0
165.10574	0.5
181.12299	0.9
182.27769	0.5
193.12247	1.0
201.11185	0.8
211.13286	0.7
221.11629	1.1
243.08466	1.8
250.93497	0.5
255.15955	1.2
277.14133	0.9
356.87469	0.6
367.19125	0.6
382.12701	0.5
439.19458	14.6
439.25211	1.1
475.26724	1.1
637.31897	100.0
638.32184	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	637.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.9
51.02385	2.1
53.03950	9.6
55.01875	11.1
55.05515	29.8
57.03438	12.8
57.07067	2.6
57.67170	0.9
59.04999	2.1
61.02926	2.3
61.90413	1.0
65.03937	3.8
67.05510	54.9
68.05840	2.3
69.03078	1.8
69.03435	24.4
69.07075	9.8
69.40212	2.8
69.40617	3.7
71.01347	1.7
71.04990	10.2
73.02912	3.0
73.11327	0.9
79.05499	38.1
81.03425	100.0
81.07063	33.2
82.03766	0.9
82.07389	1.2
83.01356	2.7
83.04990	23.3
83.08620	19.1
84.08916	0.9
85.02912	21.1
85.06551	1.8
85.75201	0.9
91.05486	31.6
93.07055	28.2
93.74508	0.9
95.04977	29.3
95.08614	14.3
97.02909	19.9
97.06556	7.3
97.10177	12.9
99.04469	8.9
99.08145	1.6
103.03938	1.3
103.05451	1.6
105.07037	24.4
107.04965	18.5
107.08607	18.6
109.02888	19.7
109.06532	6.5
109.10160	23.3
110.10495	3.7
111.04453	16.6
111.08095	10.2
113.06049	1.3
115.05471	2.6
117.07031	10.7
119.04948	2.3
119.08600	17.5
121.02881	3.1
121.06512	7.4
121.10146	12.8
122.10535	1.0
123.04410	5.0
123.08138	6.2
123.11730	3.1
125.02374	1.2
125.06017	3.4
125.09659	9.5
127.03934	12.7
128.06268	1.5
129.05547	2.1
129.07013	12.1
130.07880	1.3
131.04962	4.0
131.08577	14.3
133.06482	6.2
133.10127	10.2
135.04468	4.1
135.08073	4.0
135.11702	10.1
137.06038	2.2
137.09639	2.9
139.03885	1.3
141.06976	2.3
142.07750	1.1
143.08589	3.4
145.06448	4.5
145.10129	9.5
147.04440	2.2
147.08044	3.7
147.11679	11.6
149.05992	2.9
149.09593	7.6
151.11205	1.7
153.12746	6.5
155.08580	2.5
155.10635	1.8
157.06432	1.8
157.10110	9.8
159.08051	1.3
159.11729	2.3
161.06001	2.4
161.09624	2.9
161.13225	1.1
163.07556	1.2
163.11185	17.0
165.05551	1.3
165.09186	1.6
165.12790	3.8
167.08577	1.4
169.10129	1.4
171.08017	2.3
171.11746	1.8
173.04498	9.8
173.05913	1.7
173.09651	4.6
173.11795	3.7
175.11191	8.1
181.10118	1.0
181.10846	1.1
181.12279	6.7
183.06467	1.6
183.08118	0.9
183.11745	2.5
187.07521	1.1
187.11269	2.1
189.05525	1.4
189.09291	1.4
189.11258	4.6
189.12764	1.2
191.10706	6.9
193.12262	23.0
194.12680	1.9
197.09741	1.2
199.05957	1.1
199.11398	1.7
201.12895	1.1
205.12431	1.5
209.11743	11.0
211.13298	34.4
211.15257	2.1
212.13676	2.8
213.12766	1.2
219.13837	2.2
223.13312	1.0
227.12741	15.4
229.12312	1.4
229.14362	11.1
230.14752	4.8
231.13748	1.5
235.13345	1.9
247.13322	5.8
249.14853	2.7
261.14789	1.5
265.14471	3.9
267.15924	11.5
271.13287	2.0
273.14972	2.7
283.15536	10.0
285.17075	7.2
286.17404	3.3
289.14413	3.0
291.15991	1.2
301.14398	2.5
301.22025	1.0
307.15231	1.1
319.15515	1.3
321.17175	1.7
335.14926	1.1
337.16400	2.4
353.15970	3.9
355.17578	3.9
355.22345	1.3
375.17963	1.3
383.22324	4.2
385.18555	1.2
391.17728	1.0
393.19171	1.6
401.23212	2.3
403.24789	1.4
408.33508	1.1
409.18515	1.8
409.25674	1.3
411.20270	2.3
421.25626	5.1
422.26483	2.5
427.19809	2.4
439.26938	7.1
440.27332	16.5
447.27493	1.5
457.25790	4.0
463.24677	1.1
475.26926	18.3
493.27890	11.1
499.27567	1.0
541.27954	1.1
555.29565	1.4
563.28571	1.2
565.29639	1.2
573.31146	1.9
583.29169	1.5
598.41425	1.2
601.30066	3.2
619.31293	11.2
637.32233	66.6
638.32739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03949	11.1
54.19947	1.3
55.01872	10.2
55.05511	25.5
57.03437	7.3
59.05002	2.1
63.27315	1.2
65.03927	3.5
67.05506	24.8
69.02576	1.0
69.03430	17.9
69.07080	7.4
69.39436	3.1
69.39851	6.8
71.01341	2.0
71.05002	7.4
73.02901	1.5
79.05497	28.7
81.03419	100.0
81.07063	25.9
83.01340	4.0
83.04987	20.4
83.08624	20.3
85.02909	17.2
85.06527	1.6
86.01778	1.1
91.04964	2.4
91.05482	27.6
93.07043	27.9
95.04971	22.1
95.08042	2.0
95.08603	15.0
97.02886	14.2
97.06542	6.0
97.10169	8.9
99.04455	6.4
105.07024	16.3
107.04945	11.1
107.08598	16.9
109.02888	20.4
109.06467	6.2
109.10149	7.2
111.04434	15.8
111.05122	1.6
111.08067	9.6
113.84512	1.3
117.07020	7.0
117.52809	1.2
119.04961	1.5
119.08583	16.8
121.06509	4.8
121.10117	8.5
123.04459	2.2
123.08075	5.0
125.06002	2.2
125.09637	6.4
127.03922	14.0
129.06990	7.6
130.07819	1.3
131.04944	1.4
131.08577	9.2
133.06491	1.9
133.10081	5.8
135.08070	2.4
135.11697	12.1
137.05966	1.5
137.09624	2.5
142.07814	1.6
143.08559	2.8
145.06488	3.0
145.10133	11.2
147.08083	4.6
147.11682	10.6
149.05960	2.4
149.09680	3.6
153.08923	1.4
153.12764	8.4
155.08629	1.5
157.06479	1.6
157.10130	7.6
159.08118	1.1
161.06055	1.6
163.11165	21.2
165.12794	3.0
171.11667	1.7
171.61488	1.1
173.04488	4.2
173.05984	1.3
173.09673	3.8
175.11209	8.0
181.12224	7.2
183.06523	1.4
185.06039	1.3
189.11224	2.7
191.10664	9.0
193.12250	25.3
209.11700	6.0
211.13290	43.9
211.15279	2.5
223.13252	1.5
227.12758	15.2
229.14352	1.3
249.14832	2.6
265.14352	2.7
267.15909	9.5
271.13177	1.9
273.14792	2.0
277.14352	1.4
283.15457	14.2
285.17032	2.8
289.14703	2.5
301.14413	2.4
309.17160	1.5
330.58337	1.3
337.16403	2.1
353.15808	6.1
355.17435	7.2
383.22040	3.3
393.07257	1.4
393.19000	2.8
401.23303	2.2
409.18420	2.8
411.20352	6.0
427.19641	3.8
429.21768	1.4
457.25876	4.4
475.26892	16.2
493.28003	19.6
545.27991	1.6
559.29352	1.5
583.28766	2.2
598.42773	1.6
601.29895	2.7
614.40015	1.5
619.31232	10.3
637.32220	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01769	1.2
53.03945	7.8
55.01871	12.2
55.05270	1.5
55.05513	24.5
57.03436	10.9
59.04996	2.4
61.02917	1.6
65.03934	3.0
65.55545	1.2
67.05508	34.2
67.19665	1.2
67.31792	1.1
67.93235	1.2
69.03433	17.4
69.07053	7.1
69.39615	8.1
71.01338	2.1
71.04992	8.1
79.05495	32.7
81.03419	100.0
81.06576	2.1
81.07055	30.9
83.01328	4.1
83.04984	22.1
83.08617	21.6
85.02913	18.6
91.04909	1.8
91.05479	32.5
93.07047	32.7
95.04975	27.8
95.08608	14.8
97.02898	18.4
97.06538	9.0
97.10181	7.4
99.00816	1.3
99.04455	7.6
99.08081	1.8
103.05459	1.8
105.07028	23.9
107.04954	13.7
107.08606	16.1
109.02877	21.8
109.05883	1.1
109.06519	7.8
109.10160	9.9
111.04452	15.0
111.08080	8.2
113.06059	1.9
115.05496	1.4
117.07016	9.1
119.04916	2.2
119.08581	19.2
121.02830	1.4
121.06512	5.4
121.10156	14.8
123.04442	4.4
123.08118	6.0
123.11706	2.2
125.06011	1.8
125.09649	8.1
126.25471	1.2
127.03935	11.5
128.06142	1.9
129.07021	9.2
129.67525	1.2
131.04868	2.4
131.08569	11.0
133.06477	3.9
133.10147	8.7
135.04431	1.6
135.08061	4.0
135.11693	13.0
137.06007	1.9
137.09641	2.0
139.03947	1.8
143.08571	2.5
145.06479	3.0
145.10127	15.8
147.04411	2.5
147.08067	3.4
147.11690	10.1
149.06007	2.2
149.09628	4.8
149.13240	1.3
151.03857	1.4
153.12756	8.3
155.08597	3.0
157.06430	1.9
157.10136	8.7
158.37395	1.1
159.11736	1.7
161.06036	2.3
161.09702	1.8
163.11183	21.2
165.09137	1.8
165.12767	3.5
169.10197	1.3
171.08040	1.9
171.11655	1.7
173.04474	4.0
173.05928	1.4
173.09628	4.7
175.11200	9.4
181.12262	8.5
189.11293	3.6
191.10704	7.7
193.12256	28.0
194.12520	1.2
201.12825	1.4
202.79933	1.3
205.12315	1.5
209.11665	7.6
211.13290	42.8
213.12671	1.6
227.12767	17.6
229.14406	2.8
235.13318	1.9
247.13330	1.7
249.14943	2.3
265.14377	3.4
267.15924	9.9
273.14841	4.0
283.15482	13.8
285.16962	3.0
289.14340	2.3
299.89334	1.3
301.14340	3.3
316.14081	1.3
319.15662	1.6
335.14981	1.8
337.16650	3.1
353.16003	3.5
355.17560	7.2
365.21225	2.0
375.17987	2.0
380.70645	1.2
383.22305	6.0
391.17670	1.9
393.19009	2.3
401.23300	1.6
409.18719	2.8
411.20148	5.1
427.19763	1.8
440.27225	2.9
457.25845	7.7
475.27005	18.4
486.02536	1.3
493.28012	16.5
507.70972	1.4
541.28040	1.7
563.28552	1.9
583.28625	1.8
601.30011	3.2
619.30713	13.3
637.32129	83.5
664.53857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05511	0.8
55.63332	0.6
67.05507	1.9
69.03457	0.5
69.07066	1.2
69.25229	1.3
69.25649	3.5
77.36823	0.5
79.05489	1.2
81.03418	1.3
81.07055	1.9
83.08592	0.6
91.05493	1.7
93.07040	1.2
95.04978	0.8
95.08615	1.0
97.06587	0.6
103.59126	0.6
105.07032	1.5
105.07712	0.5
107.08604	1.2
109.10188	0.6
119.08574	1.0
121.10164	0.6
133.10106	1.0
223.08992	0.6
237.10187	0.8
251.12218	0.7
268.95584	0.6
275.20181	0.8
291.19803	0.7
298.82761	0.6
301.00833	0.6
393.16803	1.0
405.17087	0.7
406.17728	0.9
407.18735	1.8
419.19150	1.1
420.19949	1.2
421.20181	5.0
422.21246	1.3
423.21866	1.1
433.16110	0.9
434.16815	1.2
435.17511	2.6
436.22763	2.0
448.19125	1.7
449.19742	10.3
450.20560	2.0
461.19662	1.7
462.20609	1.0
463.21829	4.2
464.22104	6.2
465.23123	0.9
474.20502	0.7
475.21356	1.6
477.18826	5.4
478.20023	2.4
479.20700	1.2
491.20569	0.8
493.22272	1.1
507.24338	1.3
523.23700	2.2
533.22076	0.9
535.23431	2.4
536.24518	1.4
537.20941	0.8
547.22845	0.7
550.26141	0.9
551.26550	3.1
554.69824	0.7
561.24951	4.1
564.23578	3.9
565.24341	2.4
567.25140	0.9
579.26025	7.8
595.25641	2.9
610.27307	0.9
621.27094	3.5
621.41699	0.7
624.25763	5.7
639.28149	100.0
640.28595	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	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01875	5.6
55.05514	17.2
55.05784	0.8
56.31606	0.3
57.03147	0.5
57.03441	10.2
57.07071	0.5
59.04998	1.3
61.02919	0.5
65.03950	2.5
67.05507	25.8
69.03429	14.4
69.07072	7.8
71.01354	1.0
71.04994	6.5
73.02920	0.6
73.06525	0.5
77.03934	0.7
79.05495	24.9
81.03420	100.0
81.07058	28.8
82.03739	0.7
83.01347	0.6
83.04984	19.8
83.08624	22.3
85.02908	23.3
85.06539	2.4
87.04481	0.7
91.05484	32.5
93.07047	20.7
95.04972	28.7
95.08610	10.3
97.02897	15.2
97.06530	5.7
97.10173	7.1
99.04451	4.6
99.08097	1.6
101.02348	0.5
101.06034	0.4
103.03953	0.6
103.05448	1.1
105.04547	0.8
105.07035	25.3
107.04961	9.2
107.08604	9.7
109.02883	17.0
109.06514	5.5
109.10156	4.4
111.04447	11.4
111.08086	8.9
113.06010	2.7
113.55635	0.3
115.05452	2.9
117.07018	3.8
119.04932	1.4
119.08588	19.1
121.06509	3.6
121.09312	0.8
121.10154	11.9
123.04420	2.2
123.08092	3.4
123.11710	3.3
125.02377	0.6
125.06001	1.1
125.09633	4.9
127.03920	9.6
127.07534	0.8
128.06294	1.3
129.05576	2.3
129.07004	12.0
131.04955	1.3
131.08569	13.2
133.06488	4.1
133.09138	0.5
133.10136	10.3
135.04416	1.0
135.08067	2.1
135.11690	3.9
137.02333	0.4
137.06004	1.6
137.09641	2.4
137.13223	0.7
139.03862	0.7
140.38705	0.4
141.06996	1.1
142.07791	2.4
143.08585	2.0
143.10722	0.4
145.04953	0.6
145.06496	2.2
145.10138	4.2
147.04459	2.0
147.08046	3.8
147.11693	17.5
149.06004	1.8
149.09625	6.7
149.13295	1.0
151.03978	0.8
151.11201	1.1
153.01962	0.4
153.09088	0.9
153.12697	2.6
155.08583	1.5
157.06499	0.7
157.10136	14.1
159.08060	0.6
159.11728	1.1
161.05975	1.5
161.09634	1.4
161.13231	0.6
162.61557	0.4
163.11195	4.6
165.05475	0.7
165.09169	1.8
165.12753	4.9
167.07031	0.8
167.08478	0.5
169.10132	0.9
171.08000	0.9
171.10295	0.4
171.11725	1.4
173.04526	1.9
173.05792	0.5
173.09633	1.5
175.07664	0.4
175.11191	14.4
175.36359	0.4
177.12730	0.5
181.12227	3.6
183.06532	0.5
183.11731	0.8
185.13261	0.8
187.07591	0.7
187.11320	0.8
189.05449	0.8
189.11214	1.4
189.12756	0.8
191.10638	2.9
193.12251	41.2
195.11798	0.6
195.13803	0.5
199.11189	0.6
205.12170	0.9
205.15860	0.4
207.13885	0.5
209.11769	1.2
211.13292	58.6
212.13646	0.8
213.12726	0.9
215.14276	0.5
217.12274	0.8
223.13322	0.6
227.12701	4.5
229.14336	1.7
229.23091	0.5
231.13805	0.8
233.15417	0.9
235.13277	1.5
237.12868	0.7
245.15483	0.5
249.14899	2.6
255.13792	1.2
265.14471	0.7
267.15924	23.4
273.14893	2.9
277.14401	1.4
283.15604	2.3
285.10315	0.5
285.16977	14.5
289.14447	0.9
291.15891	1.1
301.14230	4.6
303.16019	0.6
307.15350	0.6
309.17041	1.1
313.16525	1.3
319.15378	2.4
321.16895	0.4
337.16339	3.2
347.18976	0.5
349.21530	0.7
351.18134	0.6
355.17538	6.5
367.22809	1.7
375.17932	1.7
385.23712	4.1
387.20248	0.6
393.19153	3.2
403.24896	1.4
411.20105	5.8
423.24930	0.4
429.21216	4.6
441.26331	0.9
449.28479	0.5
459.21109	0.7
459.27411	10.7
477.28482	14.3
493.27463	0.6
495.29590	14.7
501.28479	1.0
511.28430	1.5
519.29315	1.5
543.29535	1.3
547.28674	0.6
557.30713	0.6
561.30536	1.4
567.29596	1.0
573.30469	1.4
585.30444	3.4
591.31329	0.5
600.91577	0.4
603.31909	3.5
621.32660	13.0
622.32959	0.4
639.33771	47.2
640.33612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03949	15.5
55.01875	19.8
55.05512	34.9
57.03436	18.0
57.07086	11.7
59.05012	3.3
61.02929	1.9
65.03934	4.5
67.05508	94.3
69.03079	2.6
69.03433	38.4
69.07069	26.3
69.38420	12.5
70.56084	1.7
71.01359	5.1
71.04991	14.1
73.02906	4.1
77.03939	2.1
79.05495	67.2
80.31582	1.6
81.03423	100.0
81.07061	97.9
82.04189	2.7
83.04984	26.6
83.08623	23.5
85.02901	20.8
85.06546	5.1
86.03094	1.5
91.05487	63.9
93.07048	60.3
95.04970	26.2
95.08608	34.4
97.02895	35.2
97.06535	13.6
97.10191	12.5
98.07336	2.3
98.21612	1.6
99.04455	9.9
101.02396	2.5
103.05455	2.5
105.04554	1.9
105.07038	39.9
107.04982	15.9
107.08601	39.3
109.02885	16.6
109.06534	11.0
109.10165	18.0
111.04453	13.1
111.08093	11.8
113.06055	1.9
115.03936	3.5
115.05504	1.8
117.07018	18.4
119.08588	25.0
121.06509	12.9
121.10149	27.5
123.04456	3.2
123.08057	7.1
123.11710	7.4
125.09653	11.5
127.03894	13.7
127.11202	4.2
128.06256	2.1
129.05481	5.9
129.07025	10.4
131.04967	3.7
131.05968	1.5
131.08569	24.8
133.06477	3.8
133.10141	19.7
135.04443	3.6
135.08096	7.1
135.11676	13.3
137.06020	2.1
137.09641	5.0
139.07533	2.0
139.11169	1.5
141.07011	2.9
142.07825	3.2
143.08606	3.6
145.06459	3.0
145.10149	12.9
147.04414	3.0
147.08041	5.2
147.11711	19.2
149.05971	2.5
149.09644	9.1
149.13281	14.3
151.11230	4.4
153.05493	2.1
153.12761	4.1
155.08568	3.1
157.10201	9.0
159.11714	12.8
161.09627	1.8
163.11220	11.3
165.12802	6.9
169.10190	1.8
171.06616	3.3
171.07964	2.3
171.11810	2.3
173.04477	14.6
173.09663	3.3
173.11839	2.6
173.13269	2.0
175.11160	9.7
177.12796	10.0
181.12167	3.3
183.06520	4.0
185.13263	2.5
187.11143	1.5
187.14890	1.9
189.11269	1.5
189.12741	1.6
191.10699	3.7
193.12260	17.1
195.13765	13.7
197.13304	1.4
199.05954	2.6
199.13365	2.5
205.12294	3.3
209.08112	4.2
209.11736	8.3
211.13271	16.0
213.14946	2.1
215.14331	1.6
219.13884	1.8
223.13347	3.1
227.12692	8.0
229.14398	5.7
255.16049	4.0
261.14868	1.9
265.14380	1.6
267.15982	9.9
269.17462	17.3
283.15295	8.1
285.17056	4.9
301.16705	1.8
321.17072	3.5
337.16562	2.7
339.18130	6.9
346.07477	1.8
377.19855	3.1
385.23639	2.2
393.26416	1.8
395.20764	4.6
409.18655	2.6
411.20175	2.3
411.27399	1.8
423.27716	7.2
427.19534	2.2
459.27472	5.6
477.28464	16.5
495.29681	5.7
537.30975	1.9
585.29785	2.3
603.30695	2.0
621.32666	16.7
639.33789	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	639.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.0
55.01859	8.8
55.05519	19.2
57.03426	12.4
65.03918	3.6
67.05508	89.5
69.03433	21.4
69.07063	21.3
70.61551	4.1
70.61878	5.9
71.01325	3.4
71.05005	30.4
73.02894	3.9
75.60255	2.7
79.05502	52.1
81.02988	5.0
81.03423	63.3
81.06590	5.2
81.07062	100.0
83.04982	17.9
83.08636	18.7
85.02908	10.4
85.06533	6.1
91.04976	3.9
91.05491	46.5
93.07050	58.1
95.04964	14.1
95.08623	32.2
97.02882	17.2
97.06522	11.8
97.10188	6.5
99.04474	7.2
99.08075	7.6
104.09216	2.7
105.07028	30.3
107.04941	9.8
107.08599	38.4
109.02883	19.3
109.06499	6.0
109.10133	16.2
111.04454	8.9
111.08092	4.0
117.07036	14.8
119.08626	15.8
121.06495	5.7
121.10158	19.7
123.11736	14.4
125.09624	6.4
127.03876	10.3
129.05472	3.1
129.06985	8.1
131.08583	17.5
133.06535	5.0
133.10107	23.3
135.08080	4.2
135.11671	13.5
139.11198	3.6
145.10146	8.4
147.11676	12.6
149.13249	21.8
151.11172	6.9
155.08563	3.7
157.10107	6.7
159.11711	11.3
163.11195	7.4
165.12941	3.4
171.06621	3.2
173.04457	11.3
175.11172	5.2
177.12689	8.6
187.13293	8.7
195.13823	11.7
201.14961	5.3
209.11824	3.6
211.13315	6.2
213.14827	5.5
227.12804	5.4
267.15912	4.0
269.17465	12.5
273.61755	3.1
283.15561	5.1
283.18768	4.3
303.16010	4.7
321.16937	3.9
339.18002	11.1
353.53748	3.1
395.20715	8.0
423.27429	3.1
437.29022	24.1
451.30658	7.3
459.26770	3.1
463.30405	10.9
477.28500	12.1
495.32849	10.5
529.39520	3.4
607.34937	21.6
621.32733	6.4
639.37317	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
60.46926	0.3
66.52932	0.4
67.05496	1.3
69.07079	0.4
69.84753	1.6
79.05476	1.0
81.03436	0.5
81.07072	1.8
81.30698	0.4
83.08636	0.4
91.05472	0.9
93.07045	1.0
95.04988	0.6
95.08614	0.8
105.07043	0.8
107.08563	0.5
109.10123	0.4
119.08585	0.7
119.67548	0.3
121.10198	0.3
131.08549	0.4
133.10098	0.7
145.10139	0.4
147.11723	0.4
148.93338	0.3
159.11684	0.5
165.09215	0.4
223.12283	0.3
225.10262	0.4
225.13962	0.3
226.11104	0.4
241.13393	0.4
251.11763	0.4
275.20203	0.5
298.13297	0.4
325.15448	0.4
330.16071	0.6
354.16321	0.5
356.17813	0.4
370.19760	0.4
377.17432	0.4
390.18277	0.4
391.19269	1.0
404.15967	0.7
405.16730	0.5
405.21231	0.6
406.21741	0.8
416.17441	0.3
417.16974	0.6
418.18048	1.4
419.18408	2.0
420.23523	0.4
432.19617	0.5
433.20313	3.2
434.21408	1.6
435.22128	0.6
446.16840	0.4
447.17865	1.6
447.22281	1.3
448.23062	0.5
449.23535	1.1
450.21045	0.3
459.21710	0.5
460.22989	0.4
461.19501	9.5
461.29037	0.4
462.20383	3.3
463.21173	1.3
465.18719	1.8
467.24631	1.9
475.21454	1.1
476.22171	1.4
477.23227	2.5
478.21335	0.4
479.20410	0.8
480.21774	0.9
489.22925	0.7
493.21970	1.0
494.22961	2.9
495.24075	1.4
503.25110	0.4
505.22623	0.6
507.24091	0.7
508.24606	0.6
520.24615	0.4
521.22229	1.3
523.23138	0.4
533.22241	0.7
535.27686	0.9
537.21570	0.4
539.22827	0.6
540.27673	0.4
543.36853	0.4
548.24432	2.8
549.25018	1.2
553.28174	1.4
563.26544	5.2
564.26105	0.7
566.24615	0.5
576.23712	0.7
580.26514	0.4
581.27557	11.0
582.28320	0.5
607.66644	0.3
608.26208	2.4
609.26862	0.9
612.25812	0.5
623.28748	1.2
624.26605	0.6
641.29694	100.0
642.29852	1.7
658.21259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05506	0.6
67.05520	1.3
69.07060	0.4
69.78621	1.2
79.05496	0.8
81.03424	0.4
81.07044	1.3
83.08636	0.5
85.02896	0.3
86.84052	0.2
91.05476	1.0
93.07046	0.8
95.05006	0.4
95.08630	0.9
97.10229	0.2
98.20805	0.5
105.07039	1.0
107.08605	0.8
117.07014	0.3
119.08601	0.5
131.08611	0.4
133.10109	0.5
136.41458	0.2
142.78444	0.2
143.08641	0.3
147.11687	0.3
161.13293	0.3
235.19679	0.2
275.20270	0.5
288.95187	0.3
293.61359	0.3
297.15271	0.3
314.13162	0.4
326.12790	0.3
333.94894	0.3
377.17731	0.7
379.19159	0.9
383.38440	0.3
391.19244	1.0
392.20224	0.8
393.20993	1.5
405.16568	2.2
406.17426	1.2
407.18530	0.7
407.22739	3.9
408.23132	0.7
409.24033	0.3
418.17242	0.4
418.22180	0.3
419.18292	2.9
420.19452	2.2
421.20395	4.7
422.20734	0.5
423.21744	1.3
431.18692	0.4
433.15726	0.4
433.20349	4.2
434.21365	3.3
435.21942	7.7
436.22778	1.3
447.22650	1.5
448.18613	0.7
449.19589	8.2
453.23105	0.3
461.23941	0.5
462.20325	0.4
463.21033	3.0
464.21921	2.0
465.19104	0.8
466.24023	0.4
467.24503	0.7
475.21216	0.4
476.21997	0.4
477.22791	0.9
479.20596	1.0
481.21936	1.8
489.22278	0.3
493.21561	1.9
494.23035	2.7
495.23645	2.6
507.23984	1.7
508.24225	0.3
509.25488	0.5
521.25647	9.8
522.25922	0.6
523.27087	0.7
526.25873	0.7
539.23413	0.8
543.36694	1.5
549.24902	1.0
550.25751	0.3
551.27002	0.3
553.26880	1.0
563.26520	1.0
580.26196	0.4
581.27637	20.4
582.28381	0.8
609.26819	0.5
610.28088	0.4
623.42798	0.4
641.29675	100.0
642.29913	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
54.63431	2.6
55.01866	6.4
55.05514	30.2
56.05164	2.6
57.03450	21.6
60.12994	2.7
61.02942	3.8
64.89151	2.4
64.95392	3.0
65.03951	7.0
67.05180	4.1
67.05509	70.2
69.03439	20.4
69.07072	24.2
71.05005	12.8
72.80238	2.7
79.05062	4.8
79.05499	59.7
81.03425	99.2
81.06588	5.0
81.07063	100.0
83.04552	3.8
83.04989	43.6
83.08635	30.4
85.02908	25.3
91.05491	57.6
92.05786	2.7
93.07044	65.9
95.04957	32.5
95.08611	30.3
97.02892	21.3
97.06522	11.4
97.10152	8.8
99.04456	5.6
99.08084	4.2
105.04512	4.5
105.07031	33.1
107.04951	14.4
107.08611	33.3
109.02882	11.3
109.06506	7.0
109.10142	6.8
111.04427	12.5
111.08076	15.3
115.70686	2.7
117.07008	10.4
119.04964	2.7
119.08582	19.0
119.85448	3.1
121.06487	6.8
121.10142	22.0
123.08100	2.9
123.11698	4.1
125.09639	5.6
127.03928	13.9
129.05469	6.0
129.06981	13.6
131.08583	19.1
133.06485	3.7
133.10144	14.5
135.08098	3.6
135.11696	15.3
137.05936	3.6
137.09665	3.0
142.07756	3.1
144.54860	2.6
145.06482	3.9
145.10133	5.7
147.04417	2.9
147.08069	2.8
147.11717	19.8
149.09567	6.6
149.13264	23.2
153.12744	4.2
157.10114	11.1
159.11707	13.3
163.11165	8.3
165.12810	3.3
175.11220	15.7
177.12704	13.6
185.13162	3.4
192.00822	2.9
193.12251	46.6
195.13824	13.6
211.13321	51.0
221.42587	3.0
227.12810	6.0
267.15930	32.4
269.17487	66.5
285.17029	15.2
301.14450	4.4
331.48047	3.3
355.17456	2.9
369.23856	2.7
395.20602	3.8
411.20303	4.2
413.21524	7.5
429.21579	15.5
435.27539	4.7
461.29034	70.7
479.30029	67.0
488.69193	2.8
519.36505	3.1
587.31769	4.4
605.32440	4.6
623.24475	4.6
623.34296	75.1
641.35559	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	642.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74986	0.9
52.37009	1.0
53.03941	1.5
54.50666	0.9
55.05520	5.7
57.03437	2.9
57.88636	1.2
61.02920	2.9
67.05507	15.2
69.03443	1.2
69.07061	4.5
70.03278	5.1
71.05014	1.2
77.41416	1.0
79.05499	11.7
81.03420	1.6
81.07061	15.6
83.04969	2.4
83.08606	4.0
85.02907	2.0
91.03923	1.7
91.05488	16.9
93.07042	13.0
95.04960	1.1
95.08619	7.3
97.02889	2.9
97.06535	2.2
98.13544	1.2
103.05463	1.4
105.07034	14.2
106.69917	1.0
107.04926	2.4
107.08584	7.4
109.06518	1.9
109.10140	4.4
111.08079	1.8
117.07041	7.6
119.08595	10.5
121.06541	1.1
121.10121	5.7
123.08037	1.4
127.03905	1.1
129.07001	5.6
131.08575	13.7
133.10124	6.5
135.08040	1.4
135.11734	2.8
141.06984	1.7
143.08519	5.0
145.10098	8.4
147.08105	2.0
147.11642	2.5
155.08551	2.7
157.10118	4.5
159.11700	4.4
163.11209	1.2
169.10095	2.4
171.11710	2.4
173.13225	1.8
175.14796	1.0
181.10109	1.9
183.11703	2.2
185.13223	2.3
189.12906	1.3
195.11678	1.0
197.13243	1.5
259.17096	1.1
325.24692	1.2
349.17249	1.3
353.24576	4.0
371.25607	5.8
374.03467	1.2
385.17169	1.0
389.26758	6.4
405.20215	1.4
430.42407	1.2
437.53738	1.3
445.29514	100.0
446.29459	1.6
463.30539	31.7
514.89166	1.0
552.09198	1.1
582.27753	2.1
642.29987	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51012	0.3
69.07001	0.3
71.40421	0.8
77.21180	0.3
91.05416	0.4
97.46265	0.3
111.11665	0.3
194.31039	0.3
199.84038	0.3
202.44987	0.3
384.12000	0.3
396.12222	0.8
397.12894	2.2
398.13815	1.1
399.14474	0.5
410.13739	2.6
411.14520	4.9
412.15451	4.0
413.15942	2.5
423.14697	1.1
424.11240	1.3
424.15475	2.1
425.16241	11.5
426.16931	8.0
427.17535	1.3
428.18790	1.5
437.16632	0.8
438.13184	2.7
438.17548	1.2
439.13605	14.9
440.18939	5.1
441.19296	36.7
442.19189	1.1
451.13477	0.7
451.18332	0.6
452.14194	3.4
453.15332	17.0
454.16006	4.4
455.21417	0.5
458.15814	0.4
463.13843	1.2
464.14313	0.4
466.12601	0.9
467.17136	25.1
468.17947	13.7
469.18875	12.5
470.19257	0.5
471.16534	0.6
472.17401	0.8
479.16504	0.5
480.17801	0.6
481.14798	14.0
482.15482	3.3
485.18198	0.7
486.19272	0.5
494.17722	0.7
495.15729	2.5
496.17224	11.2
497.18042	2.5
498.19284	0.7
499.19647	1.4
508.19016	0.7
509.18094	2.3
512.20618	1.3
513.21332	0.4
514.22107	3.0
522.17981	0.5
523.20074	1.7
524.20538	0.6
527.23303	3.2
537.18939	0.7
539.19348	0.5
540.20044	1.0
542.21326	1.3
555.22424	29.1
556.22693	1.4
568.20117	0.7
583.21899	100.0
584.22253	3.3
586.20135	0.7
587.25269	1.7
611.21240	1.6
614.23596	1.0
615.24524	12.4
643.23975	74.3
644.24011	2.4
668.73468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01862	1.9
55.05508	4.1
57.03436	1.3
57.07075	0.6
61.02910	1.7
65.03938	0.8
67.05516	3.4
68.99774	0.7
69.03436	7.0
69.07065	3.6
71.04986	1.8
73.02928	1.0
79.05492	2.9
81.03424	3.9
81.07063	4.8
83.04960	1.4
83.08616	1.3
85.02425	0.9
85.02912	14.1
85.06528	1.5
91.03951	0.6
91.05484	5.1
93.07052	5.8
95.04963	2.5
95.08609	7.2
97.02901	4.8
97.06551	1.0
97.10152	2.1
99.04440	0.9
99.08099	10.0
103.05427	0.7
105.03395	0.6
105.07035	6.9
107.04967	1.2
107.08600	11.4
109.02879	2.8
109.06529	1.1
109.10174	4.0
111.04452	1.0
113.09637	1.1
115.05426	1.3
117.06999	0.9
119.04933	3.1
119.08584	13.4
121.02879	10.3
121.06483	2.7
121.10139	8.2
123.04434	35.8
123.08085	1.1
123.11700	3.4
125.02349	1.0
127.03899	3.9
129.05455	0.7
129.06985	0.7
131.04939	1.0
131.08563	2.2
133.06474	1.7
133.10136	33.4
135.04430	1.3
135.08060	1.5
135.11696	12.9
137.05981	4.8
137.09586	1.4
137.13248	0.9
139.03908	26.4
139.11174	0.7
140.15337	0.5
141.05489	0.8
145.04982	2.1
145.10106	2.1
147.04414	10.9
147.08028	1.1
147.11652	3.1
149.05966	1.7
149.13234	4.0
151.03911	28.4
151.07504	0.8
151.11241	0.6
153.05435	3.7
153.12701	0.5
155.08586	0.8
159.11647	0.7
161.05992	2.6
161.09612	1.7
161.13115	0.6
163.03906	6.2
163.06241	0.7
163.07549	3.6
163.14824	2.5
165.05482	17.7
167.07062	2.6
173.05945	1.1
173.09563	0.7
173.13234	2.5
175.03960	1.5
175.07549	0.8
175.11252	1.3
175.13303	1.3
175.14828	26.2
177.05502	5.4
177.09079	0.8
177.16364	1.7
179.07034	2.5
181.04970	1.3
187.07542	1.0
187.11195	1.1
189.05437	3.0
189.09183	1.7
191.07031	7.7
191.14392	0.7
193.04941	1.6
193.08647	2.6
193.15906	11.6
197.06041	0.7
197.13310	0.7
199.07571	0.7
201.05504	1.0
201.09120	1.1
203.06998	1.6
205.08603	7.3
207.06465	1.5
215.07065	1.5
217.08652	7.1
217.15877	1.2
219.10150	2.8
229.08569	2.7
231.10165	3.1
239.10654	0.8
242.09377	0.6
243.10175	4.1
245.11745	1.4
257.11752	15.3
257.14496	0.8
259.13257	1.3
261.14932	1.6
267.06573	0.7
269.11765	0.7
271.13275	4.5
273.14874	0.8
283.08142	1.7
285.07553	2.9
291.08640	0.9
295.13525	0.6
295.16916	0.9
299.09192	1.9
303.08530	5.0
311.09131	0.6
311.16187	0.6
313.17987	20.2
317.10172	6.5
323.08994	0.6
325.10440	0.8
325.18069	2.4
331.19049	100.0
332.19501	1.3
341.10355	0.8
343.19122	5.1
355.18829	0.6
357.13181	0.9
373.20193	0.9
383.14944	0.7
397.20300	0.6
409.16675	1.1
423.18008	1.2
439.21365	0.7
447.21725	2.5
458.70874	0.6
465.22723	9.4
475.23123	2.1
483.23819	9.1
493.24417	3.9
603.79462	0.7
645.27368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02379	0.5
52.37078	0.5
53.03942	1.3
55.01868	2.3
55.05515	5.3
56.39758	0.5
57.03423	2.1
59.04994	0.6
61.02918	2.1
61.29502	0.6
65.03908	0.6
67.05506	3.8
67.62261	0.6
68.99805	1.2
69.03080	0.8
69.03427	8.3
69.07067	3.8
69.97388	2.6
71.04996	3.1
73.02908	1.0
75.30735	0.6
78.65601	0.6
79.05495	3.0
81.03414	3.2
81.07054	5.8
83.01331	0.8
83.04961	1.5
83.08627	2.1
85.02908	17.3
85.06533	2.3
87.04497	0.7
91.03932	1.3
91.05486	5.2
93.07047	5.9
95.04440	0.5
95.04943	2.9
95.08615	8.6
97.02896	6.8
97.06517	1.0
97.10164	4.0
99.04456	1.1
99.08098	13.8
103.05421	1.1
105.03359	0.9
105.07029	7.4
107.04935	1.1
107.08597	11.1
109.02884	3.3
109.06500	1.1
109.10146	6.3
111.08047	0.5
117.07012	0.9
119.04926	4.7
119.05740	0.6
119.06081	0.6
119.08578	11.5
121.02879	0.9
121.06493	2.4
121.10146	7.9
123.04428	50.8
123.08062	1.1
123.11698	4.1
125.09641	1.0
127.03915	3.9
127.37604	0.5
129.05475	0.6
129.06992	0.6
131.08563	2.1
133.06487	1.1
133.10130	26.9
135.04442	1.8
135.08052	5.0
135.11688	14.0
137.06003	2.4
137.09610	1.7
137.13272	1.2
139.03899	16.7
143.08543	0.8
145.04921	1.9
145.10121	2.4
147.03253	0.8
147.04413	13.1
147.08057	0.9
147.11697	2.2
149.06020	1.4
149.13264	4.2
151.03902	34.9
151.07510	0.8
153.05493	3.9
155.08549	1.2
156.09259	0.6
157.10139	1.3
159.08014	0.9
159.11719	1.6
161.05972	2.4
161.09605	1.3
161.13219	1.0
163.03909	6.9
163.06084	1.3
163.07538	4.5
163.11162	0.8
163.14825	3.3
165.05475	17.3
165.06888	0.9
165.09158	1.9
167.07056	3.3
167.08328	0.6
168.91797	0.5
169.10126	0.7
171.11806	0.7
173.05972	1.4
173.09694	0.9
173.13264	2.1
175.03964	2.6
175.07631	1.1
175.11200	1.5
175.14822	23.1
177.05467	5.9
177.09094	0.7
177.16451	0.7
179.07010	3.8
181.04973	1.8
181.08662	1.7
185.13297	0.7
187.07564	1.1
187.11253	0.7
189.05524	3.8
189.09099	1.4
191.07022	9.7
193.04996	1.9
193.08591	2.7
193.12187	0.7
193.15884	19.6
201.05446	0.9
201.09140	0.8
203.07030	1.8
205.04929	0.8
205.08627	8.6
207.06534	2.5
211.11301	0.6
213.09120	0.9
215.07033	1.5
215.10674	0.7
215.14281	0.6
217.05127	0.8
217.08612	8.3
217.15817	1.0
219.10155	2.2
221.08107	0.8
229.08629	2.4
231.10196	5.1
239.10692	1.1
243.10165	5.8
243.13667	0.6
245.11792	1.4
251.79190	0.5
255.06293	0.5
255.10199	0.9
257.11713	16.9
259.06119	0.8
259.13373	1.0
261.14893	2.7
269.11789	1.1
271.13287	5.1
273.14847	1.7
275.12668	0.9
285.07648	3.9
291.08566	1.1
299.09283	1.5
303.04962	4.1
303.08615	7.6
313.17975	22.6
317.10193	1.7
325.17825	3.3
331.19028	100.0
332.19403	1.3
341.10184	1.1
343.11768	1.0
343.18951	6.7
355.19113	0.9
369.13223	0.5
373.20059	2.4
379.18991	0.6
397.20053	1.4
417.15350	0.7
423.18054	0.6
427.21094	1.5
439.21048	0.8
447.13007	0.6
447.21729	3.1
447.30756	0.8
457.22211	1.5
465.22769	11.2
465.32471	0.8
475.23398	6.2
483.23975	9.0
483.31046	0.6
493.24225	2.4
645.28699	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	646.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01851	1.0
55.05514	6.4
57.03446	7.5
57.07075	1.3
61.02916	1.7
67.05508	27.2
69.03415	1.1
69.07069	8.9
69.41271	6.4
71.01348	1.4
71.04983	1.6
73.02905	1.0
79.05497	22.3
81.03406	3.0
81.07062	27.4
83.04982	3.6
83.08628	5.3
85.02893	1.7
85.06525	2.1
91.05067	0.8
91.05492	8.8
93.07046	32.8
95.04974	2.6
95.08611	6.9
97.02819	0.9
97.06522	6.4
97.10152	5.0
99.08068	1.5
105.07037	4.3
107.08609	19.6
109.06518	1.0
109.10149	2.8
111.08083	3.4
117.07043	2.8
119.08592	3.9
121.06467	1.1
121.10139	7.8
123.11724	1.1
124.50291	0.9
131.08553	2.4
133.10092	3.4
135.08031	1.2
135.11699	20.8
145.10123	4.4
149.09631	1.1
149.13239	10.7
153.12712	0.8
159.11766	4.2
163.11189	2.7
164.62384	0.8
177.12779	2.7
181.12198	4.3
195.13828	4.1
213.14919	0.9
255.13316	1.8
255.15929	31.2
269.17499	25.1
397.88043	0.9
400.70773	0.8
449.29001	100.0
450.29474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52122	0.3
53.03949	1.7
55.01865	0.8
55.05517	4.3
57.03437	0.5
57.07082	16.3
65.03938	0.7
67.05182	0.5
67.05514	8.8
69.03425	0.6
69.07076	3.7
71.04989	0.4
71.08640	10.8
71.53624	0.5
79.05502	5.2
80.71312	0.3
81.03426	32.7
81.07064	9.8
83.04974	1.2
83.08149	0.6
83.08627	9.8
85.06554	0.4
85.10190	6.0
91.04970	0.6
91.05490	6.6
93.07048	2.5
95.04380	0.4
95.04977	8.1
95.08615	10.4
97.02880	1.3
97.06487	0.4
97.10192	2.3
98.98439	0.4
105.07047	4.9
107.04986	2.5
107.08602	1.1
109.06515	0.8
109.10162	5.5
111.08052	1.6
115.05505	0.4
116.47091	0.3
117.07022	0.8
119.08601	4.1
121.06506	1.1
121.10165	2.0
123.08117	0.3
123.11703	1.7
125.09589	0.3
128.06145	0.4
129.07027	3.5
131.08563	3.5
133.06522	1.0
133.10135	1.5
137.09619	0.6
142.07816	1.4
147.08051	1.0
147.11716	2.3
149.09612	1.4
157.10135	3.1
165.12852	0.4
172.29936	0.3
175.11203	3.0
189.94109	0.3
193.10590	0.3
193.12262	6.7
236.16495	4.1
239.23723	1.5
249.14926	2.2
266.31979	0.4
267.15924	1.1
282.27957	1.3
313.27466	1.1
505.38928	100.0
506.39240	1.5
545.14783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01863	1.5
57.03429	1.1
61.02912	1.2
65.03928	1.6
67.05518	1.0
68.99791	0.9
69.03424	4.0
71.04971	0.7
71.30076	0.7
71.53754	1.2
73.02937	0.8
79.05496	2.6
81.03412	3.3
85.02908	10.3
87.04479	0.8
91.03922	0.8
91.05482	13.4
93.07027	0.9
94.04219	0.9
95.04959	1.4
97.02904	3.5
98.97612	1.4
99.04406	0.7
103.05484	1.1
105.00793	0.6
105.07034	1.3
105.92455	0.7
107.04947	4.6
109.02905	0.9
117.07010	0.7
119.04943	30.6
121.06517	2.9
122.03646	4.3
123.04437	27.8
125.09621	0.8
127.03896	3.3
129.06995	0.6
131.04932	3.5
133.06447	0.8
135.04414	6.9
136.07567	0.7
137.05984	100.0
139.03905	17.0
143.04941	1.1
145.04950	1.3
145.06612	0.8
145.77409	0.6
147.04417	70.2
148.04822	1.1
149.05986	4.5
149.09557	0.9
151.03922	5.9
151.07555	4.1
153.05513	0.9
157.06447	0.9
161.05968	3.3
162.06770	0.7
163.03906	19.5
163.07555	2.6
165.05487	7.0
167.07047	10.4
169.06462	1.1
171.04445	1.3
173.05949	0.8
174.06932	0.7
174.83772	0.8
175.03917	1.5
175.07539	2.3
177.05505	2.0
179.07037	66.0
180.07372	0.8
181.05011	1.8
187.07535	1.4
189.05524	1.1
189.09120	1.7
191.07062	2.6
193.04970	10.5
193.06526	1.1
197.06195	1.5
197.08076	17.4
197.09778	0.9
203.07053	2.7
205.05005	1.3
207.06540	1.1
208.09677	1.5
209.08189	0.9
211.06024	2.0
213.05482	1.2
215.07040	1.2
217.08583	1.1
221.08009	0.9
229.08688	1.5
233.08081	1.1
239.06938	1.3
257.08151	2.8
267.06470	1.8
273.07556	1.2
273.53329	0.7
275.09131	1.0
283.08197	0.9
285.07715	1.0
287.09174	2.3
291.08633	9.7
293.10242	1.1
299.09140	8.3
303.08606	0.8
311.11295	1.9
311.93515	0.7
315.08902	1.9
317.10217	10.1
335.11255	18.3
341.12369	3.0
359.11478	0.8
439.13992	0.9
451.14151	1.8
455.19000	1.0
458.51132	0.6
469.15302	4.1
479.15674	1.3
487.15973	1.8
487.22180	1.0
538.37805	0.6
649.13599	2.1
649.25690	1.3
661.86292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01876	1.4
57.03424	0.7
57.97551	0.4
64.96443	0.4
65.03939	0.9
68.99796	0.5
69.03432	3.0
69.55984	1.1
69.56416	1.5
70.06575	0.5
73.02909	0.8
77.03946	0.4
79.05490	1.7
81.03415	1.2
81.07086	0.7
85.02911	7.5
86.97608	0.4
91.04900	0.5
91.05480	10.2
91.06019	0.8
94.04208	0.6
95.04972	0.8
97.02892	2.4
98.20715	0.6
98.97604	0.9
99.04451	0.6
103.05481	0.9
107.04961	2.5
109.02951	1.0
109.06532	0.5
119.04949	27.0
120.39201	0.4
121.06490	0.8
122.03658	2.4
123.04434	15.5
127.03910	1.7
131.04953	2.5
133.06488	0.6
135.04417	3.7
137.05981	100.0
138.06245	0.6
139.03903	9.1
143.04895	0.6
144.39386	0.4
145.04950	1.0
147.04413	58.5
148.04849	0.5
149.05933	2.3
151.03923	5.3
151.07576	3.1
153.05690	0.4
153.07008	0.4
157.06561	0.6
161.05986	2.5
163.03915	13.8
163.05232	0.9
163.07581	1.8
164.04567	0.8
165.05492	4.4
167.07079	3.8
171.04436	1.3
175.03922	1.8
175.07491	1.1
177.05542	1.5
179.07040	59.7
180.07382	0.6
181.04974	1.3
181.08633	1.8
183.08263	0.5
187.07631	0.8
189.05498	0.8
189.09129	0.6
191.07103	1.2
193.04945	6.4
197.06219	1.0
197.08096	17.2
203.07068	1.7
205.04916	1.0
207.06552	0.9
207.67027	0.4
208.09636	0.6
211.05956	1.2
215.07019	0.8
217.05125	0.5
217.08594	0.6
225.05389	0.4
229.08612	0.9
239.07091	0.8
257.08038	1.1
267.06583	1.4
271.09677	0.7
273.07449	0.5
285.07648	0.5
287.09186	1.7
291.08615	5.1
299.09146	4.1
301.10690	1.3
303.08578	1.3
315.08621	0.9
317.10181	6.2
335.11258	13.4
347.09448	0.6
364.22781	0.6
451.13843	0.8
455.20148	0.6
469.14932	1.6
479.15637	0.5
487.15869	2.1
487.21872	0.6
649.13184	5.0
649.22412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	13.4
55.01876	6.3
55.05510	24.9
56.54535	2.8
57.03436	8.4
57.41940	2.5
59.05001	2.5
59.66440	2.3
64.41465	2.7
65.03935	4.4
67.05505	83.4
69.03433	22.9
69.07067	16.1
71.04987	7.0
71.53645	4.6
73.87842	2.5
74.67619	2.4
77.03934	3.3
79.05491	99.3
81.03416	48.7
81.07053	71.6
83.04984	21.5
83.08616	13.9
85.02905	19.1
85.06535	4.0
91.04904	3.1
91.05479	97.1
93.07043	100.0
93.07638	5.9
95.01344	4.3
95.04962	33.9
95.08601	58.0
97.02903	9.9
97.06527	11.8
97.10143	4.8
99.04476	6.6
103.05439	4.7
105.04527	3.5
105.07030	70.9
105.07690	5.3
107.04961	21.4
107.08601	35.3
109.02872	9.7
109.06519	10.8
109.10147	27.1
115.05485	6.7
117.07031	32.1
119.04935	2.8
119.08575	41.7
121.06512	5.9
121.10127	21.1
123.04417	4.4
123.08074	12.9
123.11723	8.4
125.09710	3.5
127.03933	8.7
127.07447	3.0
128.06218	11.2
129.05510	4.2
129.07007	37.6
131.04956	5.6
131.08574	25.8
133.06483	9.8
133.10141	30.5
135.08023	5.5
135.11678	13.0
138.80740	2.6
141.07007	3.1
142.07811	4.2
143.08568	25.6
145.06476	10.4
145.10139	22.8
147.08057	7.7
147.11693	54.6
149.06110	2.5
149.09653	4.0
149.13237	5.5
155.08543	9.4
157.06534	5.2
157.10097	9.9
159.08105	7.9
159.11699	9.1
161.09633	7.1
161.13257	17.8
163.07564	3.8
163.11198	3.4
167.08539	8.6
169.10141	7.1
171.08058	8.3
171.11678	43.6
173.04451	10.6
173.13284	5.9
175.07513	3.3
175.11201	3.4
177.08749	2.5
181.10097	5.7
183.11700	4.3
184.07320	5.2
185.13228	5.7
189.12767	20.2
191.17961	3.5
195.11755	4.6
201.12750	3.6
207.13779	37.1
209.13365	5.3
211.14888	4.1
213.16319	3.6
221.15308	4.9
223.14813	4.5
225.14754	3.9
229.15869	5.0
233.15569	3.9
241.15862	7.5
251.14073	3.7
256.26462	2.8
259.16937	6.5
269.15283	15.1
281.17468	78.2
287.16565	15.1
306.99088	2.8
309.16971	2.9
333.17163	3.6
361.20123	5.6
407.20654	5.8
409.34756	3.3
419.33060	8.5
425.21533	10.9
437.34387	21.0
455.35376	18.2
473.36356	5.9
487.30511	58.8
501.31384	6.4
539.33807	4.4
549.32184	5.4
567.33246	12.3
613.33691	5.3
631.34119	13.9
649.37805	11.5
649.50580	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	649.3949
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
53.03936	1.2
55.01854	1.0
55.05508	4.0
57.03414	2.1
57.07045	0.8
57.18202	0.5
59.04980	0.8
61.02916	1.2
65.03928	1.0
67.05513	4.9
69.03145	0.5
69.03433	5.5
69.06763	0.4
69.07063	4.2
69.24939	0.5
69.38147	4.1
70.06573	0.5
71.04965	1.8
73.02891	1.0
79.05494	5.4
81.03427	2.6
81.07062	14.0
83.04960	1.5
83.08604	2.0
85.02910	16.3
85.06522	1.7
87.04427	0.9
91.03948	0.8
91.05483	5.9
93.06481	0.6
93.07048	12.3
95.04933	1.6
95.08614	15.8
96.18023	0.6
97.02900	5.0
97.06509	1.6
97.10159	1.4
98.06016	0.5
98.20745	0.9
99.04433	1.1
99.08073	1.0
101.40895	0.5
103.05441	0.6
105.07036	28.6
107.04935	1.0
107.07863	1.0
107.08602	20.1
109.02866	3.3
109.06509	2.9
109.10157	8.7
111.04411	0.7
111.08058	1.3
117.06995	2.2
119.08591	32.4
121.06476	1.9
121.10156	8.7
123.04442	0.5
123.08077	3.2
123.11718	5.4
125.05983	2.6
125.09618	1.5
127.03912	3.7
127.07551	0.8
129.07005	1.2
131.08574	10.9
133.09116	1.0
133.10138	24.3
135.08051	1.8
135.11696	30.6
137.05992	1.3
137.09633	2.9
137.13252	0.9
139.11172	1.1
143.08598	2.5
143.10645	0.8
144.09392	0.6
145.04950	4.5
145.06535	0.7
145.10143	5.9
146.10954	0.5
147.04404	1.5
147.08072	1.2
147.11699	17.8
149.05951	2.8
149.09598	1.3
149.13260	5.3
151.07518	1.1
151.11180	5.4
155.08577	1.4
157.10104	2.0
158.10904	1.0
159.08089	1.9
159.11708	5.7
160.12395	0.7
161.09596	1.8
161.13275	6.1
163.06010	1.5
163.07491	1.2
163.11157	0.9
163.14847	7.9
165.09113	1.6
165.12749	1.0
167.06992	1.0
169.10097	1.2
171.11748	3.0
173.09772	0.8
173.11751	1.0
173.13275	18.2
175.11197	1.5
175.14841	8.3
177.12714	0.7
179.14212	0.7
183.11688	4.0
185.13248	1.9
187.14876	3.5
189.12880	3.2
189.16391	60.9
191.14366	2.5
191.17905	0.6
197.13255	1.7
199.14867	1.8
200.15387	0.5
201.12759	17.3
201.16528	0.9
203.14307	1.3
203.17905	0.7
205.12238	0.9
205.15868	0.9
207.17450	100.0
208.17831	0.6
209.13310	0.6
211.14871	0.9
213.16373	0.7
215.14305	0.9
217.15881	1.0
219.13803	19.7
220.86949	0.6
221.15373	0.9
229.15962	1.4
229.19627	1.2
231.17517	0.8
235.16949	1.3
237.14771	0.9
243.13835	1.2
243.17546	0.7
247.13284	2.3
247.16980	0.6
247.20587	0.6
257.19034	2.1
265.14346	27.1
269.19022	0.8
287.20016	2.1
297.18469	0.6
301.21646	0.5
303.05032	1.4
303.13406	1.0
304.05347	1.4
305.05505	1.2
319.24258	0.6
325.11230	0.8
344.09384	0.9
345.09528	2.0
373.14749	0.7
393.31671	0.8
405.31613	0.9
411.32535	9.9
423.32617	4.9
441.33646	10.9
451.32401	0.7
457.33148	0.6
469.33307	8.8
487.34241	67.7
488.34790	1.2
497.14078	2.7
631.38397	7.2
649.19269	1.8
649.39453	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	651.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31181	1.7
51.02353	1.8
55.01860	3.4
55.05518	3.3
65.03929	2.3
67.05496	3.8
68.99792	3.0
69.03425	6.4
71.54206	1.9
71.54573	3.0
73.02924	2.2
76.58514	1.7
78.04662	2.1
79.05482	6.4
81.03412	3.9
81.07043	3.6
85.02907	10.0
87.00799	2.9
91.05473	22.8
93.07038	2.2
94.04150	2.7
95.04979	6.8
95.08588	2.5
97.02893	4.6
97.73434	1.5
103.05466	10.0
105.07027	8.9
107.04944	20.8
107.08609	2.1
109.02897	4.3
109.06516	3.1
111.04392	2.1
115.05458	6.4
117.07024	2.7
119.04942	18.7
119.08588	2.8
121.06519	5.2
122.03659	5.9
123.04427	39.6
123.08070	1.9
125.02376	2.4
127.03909	7.1
129.07025	6.0
131.04929	14.8
133.02846	3.1
133.06494	5.0
135.04436	7.0
135.08080	5.2
137.05981	100.0
139.03928	9.3
141.07018	2.9
145.06499	4.3
145.10178	1.9
146.03601	2.5
147.04420	30.4
149.05998	5.5
151.03931	13.1
151.07541	40.6
151.08659	3.0
153.05495	5.7
157.06508	5.4
159.04388	12.4
161.05986	73.0
161.09625	14.5
162.06752	6.5
163.03915	44.3
163.07547	33.8
165.05478	11.5
165.06842	4.3
165.09123	3.4
167.03371	8.9
167.07060	49.5
167.08571	5.2
168.07364	2.4
171.04446	3.8
173.05974	2.4
174.06772	2.4
175.03960	3.5
175.07532	11.4
177.05484	2.4
177.09071	3.9
179.07027	5.7
181.05008	2.7
181.06450	2.0
181.08598	9.3
183.08122	2.5
185.05931	2.4
187.07596	2.5
189.09091	45.7
190.07767	1.9
191.07025	3.5
193.04948	11.3
195.08073	4.4
197.06039	2.6
199.07504	2.9
201.09056	2.0
203.07028	6.3
207.08209	4.0
207.10175	73.1
209.09497	1.9
211.07617	3.2
217.08548	2.1
219.06493	4.2
219.10199	6.6
221.06006	2.9
221.09677	2.8
223.07527	3.7
225.05536	2.9
225.09161	2.2
227.06979	2.5
227.10669	6.2
235.07487	2.1
239.07086	4.4
249.09125	3.8
253.08548	4.1
253.12173	2.3
255.09981	8.8
257.08191	5.7
263.12823	3.0
265.08578	2.5
267.06332	3.9
271.09756	2.1
273.07526	2.1
281.11700	3.1
285.07870	2.0
285.11050	8.4
287.09192	8.7
287.12790	27.8
297.11166	4.0
299.09177	39.4
299.12531	3.8
303.04984	1.8
303.08426	2.2
311.12753	10.7
313.14334	25.7
315.08728	3.0
317.10196	55.0
324.04559	1.7
331.15393	34.7
343.15387	5.7
359.23306	7.3
373.12701	6.2
403.13806	11.2
439.14194	1.9
451.13815	2.7
619.15967	2.0
651.18634	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	651.3353
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
55.05524	1.4
57.03439	1.1
61.02918	3.7
62.95692	0.7
67.05509	5.5
69.03426	2.5
69.07058	1.7
70.95163	1.4
71.05003	1.0
73.02912	2.4
79.05495	3.7
81.03413	2.2
81.07046	5.5
83.04993	0.8
83.08613	1.7
85.02891	3.0
89.26292	0.7
91.03952	2.3
91.05492	2.6
93.07046	5.5
95.04975	1.0
95.08608	2.8
97.02876	2.8
97.06561	1.1
97.10168	0.8
99.04462	1.1
101.02398	1.2
105.07050	1.7
107.08597	3.4
107.96744	0.7
109.02876	0.9
109.10181	0.9
111.08074	0.8
119.08615	1.8
121.10143	2.1
127.03935	1.0
129.40318	0.6
131.08556	0.7
131.97676	0.5
133.10117	1.3
135.11705	4.1
145.10159	1.3
149.13260	1.9
159.11746	0.9
163.11227	0.9
181.12346	0.9
195.55943	0.6
221.11575	0.9
235.13084	0.8
243.08495	1.2
439.19440	8.1
453.20993	7.9
570.12323	0.6
570.58649	0.6
651.33466	100.0
652.33832	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01871	5.7
55.05511	24.9
57.03437	17.1
57.07070	7.0
58.37917	3.0
59.04995	2.6
65.03952	2.5
67.05508	100.0
69.03424	28.1
69.07079	16.1
71.04990	6.8
71.08628	6.3
71.53407	4.8
79.05497	30.8
81.03428	41.8
81.07064	62.1
83.04984	14.0
83.08630	12.6
85.02907	5.4
85.06546	3.1
89.37524	2.5
91.05479	33.2
93.07047	40.7
95.04985	8.2
95.08609	48.2
97.02882	12.0
97.06532	5.8
97.10178	12.0
105.07040	30.2
107.04963	5.5
107.08578	20.7
109.02872	8.8
109.06564	3.7
109.10163	59.8
111.04428	9.9
111.07339	2.6
111.08094	6.9
117.07024	12.7
119.08592	20.9
121.10159	19.7
122.81556	2.9
123.04479	3.1
123.11717	7.7
125.09636	8.0
126.05251	3.0
127.03921	8.1
128.06224	3.3
129.05478	5.9
129.07005	8.6
131.08568	20.6
133.06496	3.5
133.10146	12.8
135.08029	5.0
135.11714	10.6
137.09637	8.3
141.07008	4.4
143.08540	5.7
145.06462	5.3
145.10155	16.3
147.08025	3.5
147.11714	10.0
149.13292	3.9
155.08578	7.5
155.10738	5.4
157.10153	7.7
159.08173	3.4
159.11679	13.1
161.09555	3.9
161.13313	6.0
163.11130	3.7
169.10187	5.1
171.11676	6.6
173.11734	13.4
173.13257	7.7
183.11658	3.3
183.95531	2.7
185.09686	3.0
185.13284	5.8
187.14870	4.4
189.11267	7.9
199.14842	4.5
209.13315	4.0
227.12810	12.1
229.14294	31.4
245.13829	3.0
261.22241	7.4
289.21439	4.5
301.21741	7.7
319.22623	3.4
327.23221	4.0
335.25815	12.9
337.27463	10.1
341.24780	3.1
346.08032	2.9
351.23178	7.4
357.82199	3.3
369.24252	12.7
373.18628	7.4
387.25351	6.6
405.26251	4.2
443.27786	3.7
461.29056	9.7
479.29886	6.3
489.35519	7.5
507.36707	3.6
597.37695	11.0
615.39349	9.8
633.40033	42.3
651.42859	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.05516	29.7
57.03434	13.4
57.07066	9.3
57.71258	4.3
63.16588	3.9
65.03954	4.2
67.05173	7.5
67.05506	100.0
69.03431	27.9
69.07050	20.4
69.44077	31.8
69.62704	4.7
71.04990	6.0
79.05494	30.7
81.03416	44.1
81.07062	63.2
83.04985	16.4
83.08611	15.0
85.02884	5.0
91.05473	30.3
93.07043	40.7
95.04975	12.6
95.08606	36.9
96.07275	3.7
97.02901	10.6
97.06535	6.7
97.10178	9.5
98.21539	7.8
98.81172	4.3
99.04420	7.2
99.94528	4.0
105.07030	29.4
107.08582	22.8
109.02896	9.1
109.10168	66.4
111.04443	7.9
111.08083	4.9
117.07018	13.8
119.08623	22.7
121.06467	5.5
121.10151	18.4
123.11696	7.8
125.09658	10.2
127.03928	6.5
128.06273	4.7
129.07005	11.5
131.08568	14.8
133.10165	13.1
135.08093	6.3
135.11655	9.5
141.06952	4.3
143.08534	9.0
145.10149	13.3
147.11732	11.2
149.13347	5.8
155.08601	6.6
155.10599	5.8
157.10126	9.0
159.07996	4.8
159.11708	12.8
161.13364	4.5
169.10153	6.3
173.11690	16.8
173.13097	5.8
183.11768	6.1
185.13147	5.3
189.11200	9.8
192.57086	4.6
195.11806	4.5
227.12881	7.1
229.14291	34.5
261.22189	4.5
273.14432	4.5
274.14853	4.7
302.14655	5.7
302.32507	4.5
332.64581	4.5
335.25815	11.6
369.24161	12.1
373.18277	5.7
387.25333	8.4
405.26535	5.7
443.00406	4.2
461.28949	10.1
507.36813	6.9
597.38013	5.7
615.39142	15.6
633.40002	49.1
651.43671	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2826
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
50.81161	0.4
53.03936	0.7
55.05516	3.3
55.88107	0.4
57.07079	32.6
64.25877	0.4
65.03944	11.9
67.05502	0.8
69.07059	1.0
71.04981	0.7
78.58546	0.5
79.05482	0.9
83.04488	0.8
83.04986	14.9
85.45397	0.4
91.05483	9.3
93.07071	0.5
95.08617	0.6
97.01130	1.7
98.21503	1.3
98.98482	1.5
99.02683	100.0
104.06264	0.7
105.07034	6.1
115.05453	1.4
117.07034	2.0
119.08588	5.4
121.10123	0.6
128.06255	0.6
129.07028	1.6
130.07814	0.6
131.08548	0.8
132.09357	2.7
133.10155	1.7
141.06985	4.9
142.07767	4.0
147.11690	32.2
149.75577	0.5
151.01561	0.6
159.08128	2.0
161.13304	2.1
166.99324	1.9
169.07664	1.4
173.04181	2.5
175.01555	12.9
175.05757	1.2
178.99313	2.1
187.01546	0.6
189.16548	0.7
197.00342	9.0
221.03708	0.7
227.04745	2.1
239.04730	3.7
243.07933	0.6
254.98332	0.8
255.02441	3.3
273.03467	11.9
276.97067	1.3
299.08856	0.7
311.08673	1.0
329.09717	16.5
353.00073	18.2
385.15955	5.2
409.06314	10.3
409.11261	0.8
429.03241	1.2
450.09094	0.6
485.09396	5.2
541.09210	0.4
541.15778	25.7
597.22003	75.5
598.22375	1.3
653.28278	88.2
654.28503	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	653.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03940	8.3
55.01871	19.5
55.05511	34.1
57.03439	15.2
57.07077	7.0
59.04994	2.4
61.02935	2.0
65.03936	4.1
67.05505	57.4
68.05837	0.7
69.03429	33.2
69.07070	12.9
69.86000	3.6
71.01362	4.8
71.04994	9.5
73.02930	4.0
77.03924	1.4
79.05495	55.5
81.03418	100.0
81.07057	42.5
82.03753	0.9
82.04197	1.7
83.01339	5.1
83.04983	27.6
83.08620	18.6
85.02905	21.7
85.06543	2.8
87.04478	1.3
91.05482	41.5
93.07046	42.3
94.04219	1.7
95.01343	1.4
95.04974	31.4
95.08607	21.9
97.02896	34.9
97.06537	9.9
97.10171	13.6
98.07343	1.2
99.04451	8.4
99.08077	1.8
101.02402	1.5
103.03954	1.0
103.05475	2.0
105.03445	0.8
105.04517	2.3
105.07031	29.1
107.04959	23.1
107.08598	25.5
109.02885	18.4
109.06518	8.8
109.10148	17.4
111.04436	15.8
111.05196	0.9
111.08086	9.8
112.84373	0.8
113.02367	0.9
113.06000	1.4
115.03931	3.0
115.05486	3.1
116.06216	0.8
117.05608	0.6
117.07014	11.9
119.04953	2.1
119.08581	22.6
121.02907	1.3
121.06512	7.5
121.10143	15.5
123.04421	8.3
123.08085	10.4
123.11703	1.8
125.02377	1.5
125.06014	3.6
125.09624	15.6
127.03908	15.1
127.11224	2.3
128.06229	1.8
129.05481	2.5
129.07008	11.4
130.07779	1.9
131.03496	1.0
131.04929	2.1
131.08574	14.1
133.06519	4.0
133.10121	11.6
135.04428	6.8
135.08081	5.5
135.11694	16.3
135.12706	1.1
137.06023	2.8
137.09662	2.7
139.03914	1.6
139.07532	1.2
139.11234	0.9
142.07782	1.1
143.03423	2.7
143.08621	4.0
143.10703	1.8
145.06496	2.7
145.10121	18.9
147.04434	1.7
147.08047	5.1
147.11679	11.2
149.06007	1.4
149.09627	7.0
149.13290	1.4
151.03941	1.6
151.07582	1.0
151.11159	1.9
153.05508	3.3
153.09169	1.7
153.12738	10.6
153.13806	1.1
155.08575	3.0
157.06485	1.0
157.09007	0.9
157.10120	5.1
159.08051	1.4
159.11716	2.7
161.05981	1.5
161.09650	2.9
161.13277	2.4
163.03909	1.7
163.11185	25.0
165.05545	1.4
165.06912	0.8
165.09111	0.8
165.12793	2.2
169.04909	0.8
169.10121	1.7
171.06572	1.7
171.07988	1.1
171.10292	0.8
171.11719	3.2
173.04504	8.4
173.05862	1.2
173.09625	5.3
173.11815	3.6
175.11189	6.0
177.12794	1.4
179.10739	1.6
181.12227	10.2
183.06537	1.8
183.11678	0.9
185.13368	0.9
187.11171	0.8
189.09373	1.3
189.11237	5.5
189.12793	2.0
190.09883	0.8
191.10690	9.1
191.14497	1.0
193.12241	13.3
199.05930	4.6
199.11292	1.4
199.13298	2.6
201.12863	1.3
201.14812	1.5
205.12277	1.6
207.13879	2.8
209.11731	15.4
209.13582	1.0
211.13289	14.0
217.12224	1.2
219.13780	0.8
223.13351	2.0
225.07681	0.9
225.11186	0.9
227.12753	17.0
229.14317	3.6
231.13855	1.1
233.11806	0.8
235.13350	1.6
241.14545	0.8
243.13850	1.1
249.14958	1.4
255.15991	2.3
259.13309	1.2
261.14963	1.3
263.12756	0.9
265.14572	1.4
267.15869	6.5
271.13443	1.1
277.14407	1.4
281.14182	1.6
281.17386	7.5
283.15393	20.2
283.18518	1.1
285.17032	2.2
287.12576	1.0
289.14276	1.4
301.16705	0.9
311.14676	1.4
323.14975	1.1
325.16666	1.0
335.15094	1.6
337.16388	1.0
353.15912	7.1
355.17783	1.1
371.87091	0.8
407.24304	0.9
409.18457	1.4
425.25089	1.0
427.19803	3.7
429.21298	2.8
437.25443	8.6
458.45255	1.0
463.26740	0.8
473.29413	8.4
481.20657	1.0
481.28278	0.9
491.25760	7.5
493.27716	1.2
509.27609	2.6
581.30188	1.1
619.30658	1.0
635.30853	8.6
636.31616	2.1
651.29993	0.9
653.31720	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	653.3532
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.02387	1.9
52.40170	1.7
53.03952	12.4
54.86903	1.6
54.96319	1.4
55.01863	6.3
55.05512	22.1
57.03442	13.3
65.03939	2.7
67.05180	3.1
67.05508	45.7
68.87904	1.8
69.03435	16.0
69.07069	10.7
71.04987	4.7
71.74033	1.6
76.56173	1.6
79.05498	65.6
81.03422	85.2
81.07065	42.1
83.04978	25.6
83.08628	18.6
85.02891	14.5
85.06551	2.8
87.04453	2.0
91.05481	60.2
93.06478	3.4
93.07047	55.3
95.04971	32.0
95.08609	22.9
95.56590	1.6
97.02898	14.4
97.06538	4.2
97.10155	6.4
99.04459	4.0
99.08091	2.1
105.04512	1.8
105.07034	41.1
107.04978	11.2
107.08589	17.4
109.02902	9.3
109.06477	8.0
109.10149	6.8
111.04437	7.6
111.08087	8.4
114.23845	1.8
115.05407	3.4
117.07001	10.4
119.08588	29.0
120.69833	1.7
121.06509	3.5
121.10138	11.6
123.04462	1.9
123.08057	5.2
127.03912	6.2
128.06223	3.2
129.05479	3.9
129.07004	24.1
131.08588	12.8
133.06522	3.3
133.10126	14.7
135.08041	2.8
135.11697	3.9
137.09561	2.1
142.07753	1.9
143.08549	7.3
145.06506	1.9
145.10109	11.5
146.22704	1.6
147.08035	4.8
147.11685	31.1
149.09633	5.8
149.13258	2.2
153.12781	1.9
157.10123	10.5
157.55370	1.7
159.11685	3.0
161.09639	3.5
161.13246	10.9
163.11179	3.8
165.12756	2.4
171.11707	15.2
173.04530	1.7
175.11227	11.4
181.12196	3.0
189.12750	6.8
193.10652	2.7
193.12274	31.6
207.13849	25.2
208.00081	1.6
211.13289	39.8
227.12720	3.5
249.14815	3.7
267.15936	33.9
281.17493	56.4
285.16989	9.3
287.16281	3.3
355.17499	4.2
384.62027	1.6
411.19800	2.6
429.21121	19.5
473.29028	100.0
491.30008	20.2
599.32471	2.4
617.32159	2.2
628.87189	1.7
635.34241	48.5
653.34625	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	655.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04201	0.5
55.05510	0.6
67.05503	1.0
69.39758	2.8
69.40166	0.8
77.54107	0.5
81.07066	0.8
83.08646	0.6
91.05469	0.7
93.07053	0.8
95.08602	0.9
98.21549	1.0
107.08666	0.6
109.10222	0.5
114.92849	0.5
122.12165	0.5
139.61687	0.5
176.44109	0.5
391.19443	0.8
405.17130	1.1
406.22125	0.6
407.22638	3.2
419.18640	2.2
420.19247	0.8
421.19983	0.9
432.19421	0.7
433.20563	5.2
434.21136	4.0
435.21860	7.1
436.22168	0.7
447.17090	0.8
447.21915	2.2
448.18903	1.2
460.22983	0.6
461.19189	0.7
461.24048	0.7
462.20340	3.9
463.21252	2.8
467.58911	0.6
475.21188	1.9
476.22055	1.0
477.23105	1.3
479.20935	0.7
489.22815	0.9
494.23337	0.7
495.24078	1.2
508.24942	1.2
509.25616	0.8
521.25818	9.4
549.16675	0.7
549.25067	15.5
553.25525	0.5
563.26495	3.1
564.27136	0.6
581.27954	3.1
595.29425	11.8
609.27136	10.7
623.28741	1.5
637.41797	0.7
655.31299	100.0
656.31940	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	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03945	8.2
55.01871	9.7
55.05270	1.7
55.05515	25.0
57.03440	18.2
57.07059	4.6
59.04999	2.2
61.02919	1.5
61.79440	1.0
65.03925	3.5
67.05508	59.8
69.03432	32.9
69.07069	13.8
71.01338	2.1
71.04996	9.6
71.54254	1.2
73.02916	8.3
78.04688	1.4
79.05497	43.7
81.03421	100.0
81.07059	38.8
82.04192	1.4
83.04983	23.4
83.08617	19.8
84.75553	1.2
85.02432	2.5
85.02905	30.5
85.06528	4.5
89.02376	1.5
89.48823	1.2
91.05486	40.7
93.07051	27.4
95.04974	31.8
95.08607	17.5
97.02892	27.1
97.06530	9.0
97.10173	9.8
98.07349	1.8
99.04452	7.7
99.08115	1.4
101.02380	2.2
101.06032	1.3
103.03928	2.1
103.05476	1.3
105.04551	2.1
105.07034	25.8
107.04967	16.1
107.07948	1.8
107.08604	17.3
109.02878	18.7
109.06499	5.7
109.10158	24.1
110.77632	1.2
111.04465	12.2
111.08099	10.8
113.05975	2.0
115.03896	2.2
115.05478	2.5
117.07014	7.2
119.04903	1.4
119.08585	20.4
121.06480	3.5
121.10159	13.9
123.04433	9.1
123.08056	5.0
123.11715	3.9
125.05963	1.2
125.09641	12.3
127.03902	12.7
127.07542	1.5
127.11178	1.7
129.05482	3.2
129.07018	10.6
131.03424	2.3
131.04938	1.4
131.08566	15.8
133.06487	4.4
133.10132	11.2
135.04388	7.5
135.08063	5.0
135.11739	7.4
137.05971	1.9
137.09604	4.8
141.06995	1.4
142.07780	1.6
145.06511	2.4
145.10133	8.0
147.04391	1.5
147.08023	4.4
147.11691	15.9
149.05952	1.3
149.09595	6.5
151.07533	1.7
153.05457	4.8
153.12755	4.3
155.08539	1.7
155.10591	2.0
157.04953	2.2
157.08852	1.9
157.10110	10.3
158.62816	1.3
159.08075	2.1
159.11652	2.9
161.06024	1.6
163.11179	10.5
165.05470	1.3
165.09085	3.9
165.12715	2.4
171.06535	2.2
171.07907	1.3
171.11629	2.2
173.04489	11.7
173.09612	5.2
173.11731	5.5
175.11191	12.7
181.04997	2.3
181.12236	3.8
183.06512	1.8
189.11188	3.2
191.10674	6.7
193.12250	33.1
199.06027	5.5
199.13312	3.4
205.12033	1.3
209.11751	10.6
211.13298	37.6
215.10626	1.2
223.13120	1.6
227.12761	13.0
229.14365	20.2
235.13329	1.6
249.14896	2.5
255.15926	2.0
261.14828	1.4
265.14502	1.4
267.15958	19.7
271.13348	1.5
277.14380	1.2
283.15482	11.8
285.16940	12.1
289.14258	1.4
301.16718	2.2
313.16513	1.4
326.17038	1.1
337.16501	2.1
351.17868	1.2
353.15640	3.1
383.21890	1.7
409.18381	2.2
411.20209	2.0
421.25879	18.2
427.19736	2.9
439.26932	17.7
457.25677	1.3
459.27347	1.6
461.30273	1.4
475.26859	7.2
476.27295	1.3
493.27957	12.6
511.29156	2.6
522.97168	1.3
581.29956	1.5
583.30902	1.7
619.30908	2.3
637.32031	8.9
655.33246	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	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.0
51.02365	1.4
53.03948	7.8
54.85563	0.8
55.01631	0.9
55.01877	12.0
55.05512	25.1
57.03188	1.0
57.03442	16.4
57.07080	5.6
59.04998	1.8
59.32100	0.7
61.02919	1.1
65.03942	2.9
67.05509	53.5
68.85757	0.8
69.03433	31.6
69.03812	1.7
69.07071	10.2
70.79789	2.2
71.01357	3.8
71.04992	9.7
71.71016	0.7
73.02919	4.8
79.05499	38.4
81.03420	100.0
81.07063	39.9
82.04189	1.1
83.04987	22.2
83.08623	20.6
85.02909	26.8
85.06541	3.4
87.04463	1.2
91.05484	38.5
93.07050	23.2
94.04170	1.0
95.04975	30.1
95.08614	14.0
97.02898	27.4
97.06533	8.0
97.10176	11.8
98.07288	1.1
99.04449	6.8
99.08084	1.1
101.02394	1.7
103.03949	1.3
103.05476	1.5
105.04523	1.5
105.07036	23.7
107.04954	17.7
107.08603	15.6
109.02888	14.9
109.06530	6.4
109.10165	21.3
109.64978	0.7
111.04456	11.9
111.08067	10.9
113.02396	0.9
113.06013	2.2
115.03923	3.1
115.05453	3.1
117.07018	8.7
119.04961	2.0
119.08587	23.0
121.02860	1.7
121.06499	5.4
121.10150	11.6
123.04420	6.0
123.08096	4.0
123.11702	2.3
125.05984	3.0
125.09619	11.9
127.03933	10.5
127.07584	1.0
127.11218	1.5
128.06233	1.6
129.05489	2.6
129.07002	12.0
131.03413	2.1
131.04947	2.1
131.08577	13.2
133.06497	4.1
133.10141	10.1
135.04442	5.2
135.05365	1.0
135.08043	3.0
135.11699	6.8
136.08888	0.9
137.05977	2.8
137.09598	2.8
139.03865	1.1
141.06992	1.1
142.07784	3.6
143.03438	1.5
143.08557	1.8
144.53108	0.9
145.06500	2.6
145.10136	8.5
147.04419	1.1
147.08037	5.7
147.11694	13.7
149.05966	1.0
149.09615	9.3
151.03944	1.2
153.05476	3.7
153.09119	1.9
153.12799	4.5
155.08577	2.1
155.10616	1.4
155.78088	0.8
157.06526	1.1
157.08850	1.1
157.10130	11.9
158.05739	0.9
159.11688	2.0
161.05954	1.6
161.09656	1.5
163.11198	9.4
165.05464	1.0
165.12747	3.7
167.08415	0.9
169.10040	1.1
171.06599	1.0
171.10242	1.4
171.11607	2.0
173.04456	7.4
173.05873	1.1
173.09625	2.2
173.11746	3.3
173.13130	1.1
175.11179	10.9
181.04936	1.1
181.12224	5.2
183.06557	2.3
187.11122	1.2
189.11200	4.1
191.10690	4.9
193.12265	34.7
199.06024	3.6
199.13268	2.2
200.71007	0.8
205.12253	1.9
207.13771	1.0
209.11742	10.5
211.13303	39.5
213.12842	1.1
215.14467	0.9
217.07098	1.4
217.12262	1.3
223.13322	2.2
227.12724	10.6
229.06752	0.8
229.12369	1.6
229.14383	11.2
231.13928	1.0
234.70332	0.7
235.13420	0.9
237.12775	0.8
238.31729	0.7
241.14331	1.2
241.99040	0.7
247.13298	3.0
249.14871	1.6
259.13358	1.2
265.14404	1.4
267.15915	15.2
271.13235	0.9
273.14886	1.2
283.15460	7.4
285.16986	8.2
289.14395	2.6
301.16769	3.7
309.16782	1.1
313.16412	1.6
319.15704	0.9
335.14789	1.3
337.16330	1.8
353.15927	1.8
355.17493	2.2
357.17078	0.9
383.22406	1.5
393.18970	1.5
401.23544	1.3
403.24988	1.3
409.18292	2.4
409.25784	2.3
411.20126	2.7
421.25912	11.0
427.19614	2.9
427.26505	1.3
429.21228	1.0
431.27853	1.2
439.26968	10.4
457.25885	1.5
459.27063	1.4
465.28250	2.1
475.27014	7.2
476.27841	1.3
477.28586	1.6
493.28043	10.0
495.29337	1.5
511.28891	1.9
527.29144	0.9
573.30731	1.4
583.30524	1.3
601.29596	0.9
619.30963	2.8
637.32300	9.4
638.32532	1.0
655.33392	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	655.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01880	7.4
55.05516	26.3
57.03429	11.6
57.07077	5.8
58.81794	2.9
61.02924	4.1
65.03936	3.9
67.05514	63.4
69.03447	20.5
69.07072	12.3
71.05005	43.1
79.05505	47.2
81.03428	100.0
81.06588	5.0
81.07068	78.6
83.04997	26.6
83.08627	21.9
85.02917	21.9
85.06540	8.4
91.05495	49.2
93.07042	39.0
95.04983	35.8
95.08627	24.2
97.02912	16.4
97.06529	14.1
97.10172	6.8
99.04462	12.5
105.07049	33.4
107.04976	15.5
107.08614	27.6
109.02888	20.3
109.06496	7.8
109.10155	14.9
111.04443	13.3
111.08090	9.6
117.07015	13.5
119.08596	24.2
121.06522	7.5
121.10172	13.6
123.04469	5.4
123.08018	4.3
123.11719	11.8
125.09645	6.9
127.03912	12.4
129.05435	3.2
129.07025	9.2
131.08559	18.1
133.06511	5.9
133.10144	26.5
135.08081	5.5
135.11728	11.1
139.67368	3.3
140.45479	2.8
142.07788	5.0
145.10153	5.3
147.08072	6.6
147.11729	19.2
149.09636	8.1
149.13223	6.1
151.11215	7.3
157.10130	13.7
159.11739	7.4
163.11269	9.5
165.12862	4.4
171.11722	2.9
173.04504	10.6
175.11185	10.9
177.12779	5.9
183.13878	4.8
187.13316	7.9
189.11232	6.2
193.12282	35.3
209.11670	3.5
211.13310	44.5
227.12770	10.8
231.13925	4.1
261.71564	3.0
267.15997	16.6
269.17358	4.3
279.74796	3.1
283.15469	9.9
285.16873	7.9
299.18561	4.5
301.20111	3.0
339.18011	7.5
375.18027	3.9
435.27487	23.2
443.27863	6.0
453.28445	16.7
461.29141	24.0
467.30212	11.4
475.26923	5.8
479.29938	7.2
493.27570	10.8
511.32352	14.3
605.33356	6.9
607.86633	3.5
623.34338	18.4
637.34290	9.6
655.37158	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	656.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67085	0.8
55.01872	2.5
55.05272	0.9
55.05514	14.0
57.03434	2.1
61.02918	0.9
67.05510	15.7
67.61971	0.8
69.03439	5.0
69.07063	4.7
71.52685	1.2
72.26638	0.8
73.02905	1.2
79.05499	14.3
81.03391	3.3
81.07064	13.5
82.07365	1.1
83.04987	2.2
83.08623	10.2
85.02890	2.6
91.05484	12.4
93.07048	8.7
95.04946	1.6
95.08606	6.1
97.02875	2.5
97.10170	16.5
103.05477	5.9
105.03387	1.2
105.07045	9.2
107.04956	2.6
107.08617	8.5
109.06562	1.3
109.10168	5.0
111.08087	1.6
115.05453	3.5
117.07029	20.1
119.08587	6.8
121.06509	1.9
121.10108	2.8
123.08005	1.2
125.09637	13.3
128.06213	1.2
129.07007	8.2
131.04887	1.3
131.08583	13.5
133.06523	4.2
133.10123	3.4
135.08022	3.4
135.11694	1.5
137.06006	1.2
141.07005	4.3
142.32054	0.9
143.08592	5.5
143.10738	1.3
145.04964	1.1
145.06447	4.2
145.10159	4.3
147.08046	2.4
147.11722	1.5
149.09615	2.3
149.13286	1.0
153.09120	2.1
155.08540	5.1
157.06467	1.6
157.10138	3.6
159.08047	2.1
159.11661	1.1
161.09679	1.2
167.08612	2.5
169.10088	4.4
171.08052	1.1
171.10251	1.0
171.11678	1.8
173.13306	1.3
181.10091	1.7
182.58357	0.9
183.11725	1.4
185.13202	1.6
187.14868	4.1
189.11237	9.8
189.12747	1.4
193.10196	1.0
195.11740	2.0
197.13249	6.9
199.11064	1.3
213.12759	2.6
215.14317	25.4
219.11758	1.2
221.13269	1.0
223.11125	0.9
227.12779	16.5
233.15344	1.6
237.12910	1.3
241.12381	1.3
261.74228	1.2
271.16901	1.9
339.23111	1.8
349.21704	6.2
367.22617	9.6
385.23621	5.7
403.24756	3.7
441.26407	49.5
459.27435	100.0
462.29950	1.0
477.28519	12.4
494.62277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.7
55.01863	6.4
55.05514	22.5
57.03441	13.8
61.02935	2.1
63.77490	1.3
65.03941	2.9
67.05167	2.5
67.05505	29.2
69.02803	1.3
69.03426	15.7
69.07067	8.8
71.04989	7.3
71.54514	2.0
74.48501	1.4
79.05050	2.5
79.05494	28.0
81.03419	100.0
81.07056	34.6
82.03738	1.7
83.04981	33.9
83.08624	27.2
85.02908	22.1
85.06530	3.8
88.53716	1.4
91.05479	37.6
93.07047	22.7
95.04973	31.2
95.08620	12.4
97.02901	13.3
97.06522	6.4
97.10175	7.9
99.04444	2.6
101.02376	1.7
105.06377	2.7
105.07034	28.1
107.04970	10.1
107.08585	11.6
109.02879	10.2
109.06506	5.3
109.10142	5.1
111.04460	11.3
111.08080	12.8
113.05981	2.5
117.07001	4.7
119.08585	21.3
121.06487	4.3
121.10143	11.2
123.08062	2.8
123.11684	3.3
125.09634	5.4
127.03880	11.6
128.06264	1.7
129.05461	4.9
129.07024	16.2
131.08565	14.9
133.06451	4.6
133.10139	14.0
135.08018	2.9
135.11736	3.5
137.09602	2.0
141.06953	1.9
142.07802	3.4
145.10112	5.1
147.08052	4.1
147.11679	21.3
149.09619	9.1
153.12720	2.0
157.10135	17.2
159.08063	2.2
163.11189	4.4
165.09119	1.6
165.12769	5.2
173.09639	2.5
175.11195	19.0
181.12263	2.9
189.11212	2.3
191.10698	4.3
193.12259	50.0
211.13297	85.2
227.12740	6.9
229.14395	4.7
232.91957	1.5
233.15385	2.6
267.15897	31.5
273.14948	1.8
283.15393	1.9
285.14035	2.4
285.16965	34.6
286.17438	1.6
301.14514	2.8
319.15430	3.2
337.16629	3.6
355.17368	7.7
367.22626	3.6
375.17999	1.9
385.23715	3.7
393.18808	2.9
403.24963	3.0
411.20041	5.2
429.21378	12.1
431.27936	2.4
433.25784	2.2
441.26245	2.4
449.28781	1.6
451.26889	4.7
459.27521	18.5
477.28491	29.1
495.29532	36.7
585.30206	3.5
603.31677	2.0
621.32971	10.4
639.33820	35.1
657.34613	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	657.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.7
55.01888	15.4
55.05512	23.5
57.03439	26.4
57.07077	6.4
59.04990	3.6
61.02906	3.6
65.03931	3.8
67.05510	100.0
69.03436	32.8
69.07074	17.9
70.91255	6.2
71.04974	8.6
73.02920	22.5
79.05081	3.0
79.05501	50.6
81.02991	4.4
81.03426	56.7
81.07063	80.4
83.04997	34.4
83.08624	27.7
83.81379	2.7
85.02913	27.7
85.06542	5.5
86.21418	2.6
91.05490	34.8
91.22136	2.7
93.07049	49.3
95.04972	17.4
95.08621	27.3
97.02901	24.1
97.06545	12.2
97.10154	10.2
99.04449	6.9
99.08076	4.1
101.02414	4.0
105.07048	21.3
107.04971	14.2
107.08585	29.6
109.02879	11.4
109.06506	4.0
109.10164	41.4
111.04458	7.6
111.08083	9.8
115.03880	5.4
116.04706	6.2
117.07003	11.3
119.04942	3.3
119.08605	15.4
121.06480	6.0
121.10178	20.3
123.04408	3.6
123.08099	6.4
123.11674	4.1
125.09619	12.2
127.03905	10.8
127.11202	4.3
129.05463	23.1
129.06964	4.6
131.03436	4.4
131.08575	13.3
133.06468	2.8
133.10133	17.7
135.04408	9.7
135.08038	3.8
135.11687	11.6
137.09624	5.0
139.11127	3.0
143.07028	4.5
145.10141	7.7
147.11723	10.2
149.13269	18.3
151.11121	3.8
153.05495	5.4
157.08595	9.0
157.10027	3.9
157.31914	2.7
159.11693	14.9
165.05472	3.3
165.09128	4.6
171.10269	3.6
173.04422	8.1
173.11740	9.7
175.11189	4.3
177.12761	10.3
189.11096	4.1
193.12282	7.6
193.61417	3.0
195.13820	9.8
199.13252	4.8
209.11729	4.1
211.13214	7.1
213.14861	4.0
217.07037	6.0
227.12804	6.3
229.14359	35.1
267.15936	6.3
269.17474	50.1
275.19952	3.1
283.15375	4.7
285.17249	3.4
301.16492	19.5
339.22986	2.7
366.92194	3.3
395.20517	2.8
413.21515	8.3
423.27457	77.9
459.27307	5.6
460.27847	2.9
477.28479	8.9
495.29373	11.7
639.33490	9.6
650.21185	3.2
657.33319	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	660.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55564	0.6
53.03926	2.3
54.93111	0.7
55.01870	3.4
55.05276	0.7
55.05515	10.2
57.03188	0.9
57.03438	10.6
57.07060	1.6
59.04992	1.6
61.02909	2.1
63.07987	0.7
67.05506	25.7
68.93242	0.7
69.03411	1.6
69.07061	8.1
69.37368	3.8
69.37777	1.5
71.01338	2.5
71.04979	3.0
73.02913	1.6
79.05494	25.4
81.03422	7.5
81.06593	1.0
81.07056	16.4
83.01347	3.3
83.04987	8.1
83.08619	6.9
85.02927	4.3
85.06543	2.4
86.09695	2.3
91.03948	0.9
91.05476	11.9
93.07043	34.5
95.04976	5.3
95.08596	7.0
97.02888	2.8
97.06529	7.7
97.10172	6.0
98.20747	1.6
99.04458	2.6
99.08083	1.3
105.04491	1.0
105.07036	5.4
107.04990	5.0
107.08598	20.4
109.06509	3.3
109.10172	3.4
111.04422	1.9
111.08067	1.8
117.07037	4.5
119.08595	6.4
121.06495	2.3
121.10152	8.3
123.08085	4.4
124.99996	1.7
125.05991	1.5
125.09619	1.8
125.16738	0.6
130.07719	0.9
131.08569	1.0
133.10097	2.0
135.08031	1.1
135.11691	30.1
137.09589	1.2
145.06522	1.0
145.10120	12.1
147.06810	0.7
147.08041	1.4
147.86079	0.7
148.40584	0.6
149.13322	0.8
151.11206	0.8
153.12717	2.5
163.11172	15.1
173.09615	2.3
181.12268	6.7
184.07350	6.8
191.10638	1.1
204.08716	0.9
209.11673	3.4
227.12804	2.0
233.42274	0.6
255.15909	58.1
265.14404	2.0
269.17532	0.9
283.15405	37.8
291.81564	0.7
442.76666	0.7
445.25662	3.4
446.87711	0.7
463.26877	100.0
525.46509	0.7
660.35260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
54.60022	0.4
55.01863	1.3
55.05518	6.0
57.03443	6.0
57.07063	1.7
61.02928	6.3
65.03927	1.0
67.05508	30.1
69.03433	3.1
69.06730	0.7
69.07074	9.9
70.06583	0.5
70.96290	0.9
71.04990	2.6
71.08618	0.7
73.02923	1.9
79.05496	17.5
81.03423	2.5
81.07059	42.2
82.07384	0.5
83.04995	3.2
83.08624	9.4
85.02910	5.9
85.06541	1.9
85.13445	0.4
86.03236	0.8
86.40054	0.4
88.07625	0.6
91.03951	3.6
91.05485	10.1
92.05790	0.5
93.07045	28.8
94.07381	0.7
95.04964	2.5
95.08608	10.1
96.08913	0.4
96.13886	0.4
97.02891	4.3
97.06523	5.0
97.10171	1.2
98.03246	0.7
99.04473	1.1
99.08079	1.4
102.09200	0.7
103.03942	0.5
105.04504	0.7
105.07031	3.8
107.04970	0.5
107.08594	16.6
109.02879	0.6
109.06516	1.5
109.10146	2.4
111.08085	4.5
113.09632	0.5
116.25547	0.4
117.07023	5.0
119.08589	1.3
121.06487	0.9
121.10147	9.9
123.08057	0.5
123.11722	2.3
127.03927	1.7
128.04231	0.6
129.05515	0.5
129.06960	0.5
131.08569	5.3
133.10129	7.1
135.08032	0.6
135.11674	4.8
139.11218	0.7
145.04988	1.3
145.10147	0.4
147.11682	0.9
149.02301	0.5
149.05948	0.4
149.09651	0.5
149.13263	15.0
151.11200	0.7
159.11690	7.1
177.12796	3.5
177.14175	0.6
193.05000	0.8
194.05289	0.6
195.13817	6.9
213.14854	0.9
251.16435	0.8
256.26282	0.9
257.26834	1.1
262.22412	0.7
267.15985	0.5
269.17493	43.6
272.94223	0.4
335.25897	1.4
336.26160	2.7
363.69052	0.4
370.52243	0.5
445.29532	0.6
463.30554	100.0
464.30896	1.8
607.35266	0.9
609.91864	0.4
660.36615	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	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05298	0.8
55.05514	7.8
57.03449	5.1
57.07080	1.5
61.02917	3.0
65.03931	0.8
67.05510	32.9
69.03451	1.0
69.07072	9.9
70.06567	0.6
71.04991	2.2
71.08634	0.9
71.53363	1.2
79.05498	19.5
81.03416	2.6
81.07064	45.4
83.04986	3.7
83.08624	9.3
85.02911	3.2
85.06550	2.7
90.66434	0.7
91.03960	1.1
91.05489	13.5
93.07053	26.9
93.07639	1.5
95.04969	3.0
95.08617	9.7
97.02914	2.0
97.06530	5.2
97.10154	1.3
99.08078	1.0
105.04514	0.9
105.07041	4.2
107.08604	15.1
107.23914	0.7
108.61060	0.7
109.06515	2.3
109.10150	2.1
111.08096	3.0
117.07034	5.8
119.08585	0.9
119.22569	0.6
119.73360	0.6
121.06536	1.9
121.10155	6.8
123.08095	0.7
123.11713	3.1
129.06946	0.7
131.08578	5.7
133.10139	9.4
135.11691	6.3
147.11685	1.0
149.02376	1.4
149.13264	10.3
151.11188	0.9
158.55507	0.7
159.11722	7.7
177.12767	2.2
193.05078	1.1
195.13834	10.8
210.50052	0.7
213.14867	1.7
243.08922	0.8
251.16505	2.0
256.26355	0.9
257.26852	1.0
258.03159	0.7
269.17493	53.4
386.09802	0.9
445.29391	1.8
463.30597	100.0
464.30933	3.9
565.56476	0.8
607.34637	1.0
626.65723	1.0
660.36945	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01875	1.0
55.05258	0.5
55.05512	5.5
57.03156	0.4
57.03438	6.9
57.07080	1.8
59.05011	0.3
59.54267	0.2
61.02915	1.4
65.03941	0.9
67.05507	32.9
69.03426	0.7
69.07070	11.2
69.25215	0.2
69.87727	1.0
70.06591	0.6
71.05000	2.4
71.08636	0.3
73.02917	0.8
77.03913	0.4
79.05495	18.2
81.03419	1.7
81.07059	41.5
83.04976	3.8
83.08617	8.3
85.02895	1.3
85.06539	2.8
88.07635	0.9
91.03950	0.7
91.05484	9.5
93.07047	31.3
95.04972	2.1
95.08609	10.2
97.02905	0.7
97.06526	6.8
97.10189	1.0
99.04462	0.3
99.08100	1.7
102.09185	0.6
103.09563	0.3
105.04548	0.4
105.07023	3.8
107.04958	0.3
107.08597	18.6
109.06516	1.4
109.10157	2.0
111.08083	4.2
111.11709	0.5
113.06018	0.3
113.09663	0.7
117.07029	4.7
119.08623	1.2
121.06538	0.9
121.10144	12.2
123.11696	1.3
125.09620	0.6
127.07584	0.5
129.07024	0.3
131.08575	5.0
131.09521	0.4
133.10135	4.9
135.08084	0.8
135.11696	5.0
139.07452	0.3
139.11203	1.5
147.11684	0.8
149.02388	1.5
149.09697	0.4
149.13260	20.5
150.02661	0.6
157.10139	0.4
159.11691	8.3
165.12802	0.3
167.14290	0.6
177.12747	3.5
193.05046	1.6
194.05327	1.1
195.05376	0.4
195.13818	6.7
213.14873	0.8
237.07620	0.5
251.16452	0.3
256.26419	0.8
257.26758	0.7
269.17484	49.8
270.17886	0.7
342.07227	0.3
359.08176	0.3
386.09448	0.8
387.09906	0.5
430.12271	0.5
431.12311	0.7
463.30560	100.0
464.30783	2.9
607.35077	0.5
627.39532	0.3
660.36389	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05512	5.7
57.03442	3.8
57.07055	1.1
61.02915	1.8
65.03926	1.1
67.05505	24.8
69.03413	1.7
69.07073	8.9
69.38651	4.8
70.87868	0.6
71.04990	1.8
73.02866	0.9
77.03949	0.7
79.05492	14.9
81.03398	2.4
81.07057	39.4
82.20380	0.7
83.04975	2.9
83.08620	7.4
85.02889	3.1
85.06541	1.9
91.03921	1.3
91.05489	11.3
93.07041	25.1
95.04967	2.8
95.08601	10.4
97.02888	1.3
97.06528	4.5
97.10139	0.9
98.20812	1.6
99.08100	0.9
105.07032	6.1
107.08601	12.7
109.06535	1.2
109.10130	2.5
111.08089	3.3
117.07015	5.8
119.08574	3.9
121.06499	1.1
121.10133	9.1
123.08103	0.8
123.11724	2.6
127.03877	0.9
129.07004	1.8
131.08556	7.2
133.10126	7.3
135.08061	1.1
135.11702	5.2
139.11143	0.7
141.07028	0.7
143.08557	1.5
145.10123	2.9
147.11702	1.3
149.09621	1.2
149.13251	12.1
151.11189	1.0
159.11674	6.8
169.10078	0.8
171.11736	0.7
177.12741	3.0
184.07339	0.8
195.13838	5.0
197.13324	0.8
213.14796	1.0
251.16544	2.0
269.17480	26.3
353.24899	1.3
371.25806	1.2
389.27054	1.5
413.21552	0.8
435.27328	0.9
445.29480	14.8
463.30554	100.0
464.31107	1.7
481.31750	0.8
607.34698	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	661.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92441	1.0
55.01879	1.0
57.03435	2.2
61.02939	1.7
69.03432	5.9
69.74812	1.1
71.52997	1.4
73.02921	3.8
81.03413	2.3
82.99872	1.9
85.02917	10.6
86.03240	1.1
91.03957	1.2
97.02913	6.2
98.97656	1.8
99.04517	1.5
101.00881	8.8
102.28732	1.0
109.02889	1.3
113.00908	2.4
115.02456	2.2
119.01938	11.6
127.02443	2.8
127.03914	3.6
129.03993	2.0
131.01938	6.8
133.03476	4.2
137.02963	1.2
139.02386	2.1
143.01910	19.4
145.03459	12.3
145.04980	3.3
147.01385	1.1
147.05017	5.2
153.04021	2.6
155.01909	18.4
155.03102	1.6
157.03484	10.4
158.99619	1.1
159.05046	2.8
161.02992	15.7
163.05948	1.1
165.06161	1.0
167.01924	6.9
169.03479	4.4
171.05042	19.3
173.02974	20.7
173.06627	6.3
175.02940	1.8
175.04556	5.5
177.00745	1.5
177.06052	1.8
178.04951	1.8
178.55231	1.1
179.01920	2.3
181.03378	1.3
183.05067	13.7
185.02977	23.2
185.06598	6.2
187.04529	4.8
189.06165	6.4
191.04059	2.0
191.93259	1.0
193.03674	1.5
195.05109	1.5
197.02994	8.6
197.06648	2.0
199.04541	5.6
200.47932	1.0
201.06146	7.2
203.04001	13.6
203.07729	2.4
207.05127	3.6
211.04500	2.0
213.06084	5.5
215.04027	6.9
217.05612	4.2
219.01872	1.3
219.07166	3.5
220.07401	1.1
221.05092	24.9
221.06972	1.8
225.06183	6.0
227.04063	7.3
229.05550	6.1
231.07207	5.1
241.05684	1.7
245.05109	62.6
246.05243	2.0
247.06776	16.4
255.07138	7.8
257.05057	5.8
259.02441	1.9
259.06616	9.3
259.57849	1.7
263.06168	7.2
273.08221	100.0
274.08374	2.7
275.06067	13.1
277.03455	2.8
277.07944	1.9
283.06726	1.8
287.06168	1.1
289.48090	1.0
291.09280	47.1
292.09467	1.1
293.07327	5.5
301.07733	7.9
303.01260	2.0
305.07266	8.0
314.11105	1.9
317.07410	1.3
318.10739	2.6
318.14197	1.2
318.61307	2.4
319.08765	30.3
321.10358	15.2
322.10669	3.6
323.10324	6.2
333.10321	3.1
335.08139	3.2
337.09842	71.2
339.09781	1.5
340.10318	3.2
351.11487	2.2
360.11514	2.7
361.09802	2.9
365.09610	7.0
371.08817	1.4
379.10944	60.6
380.10956	1.1
391.10977	5.4
407.10367	3.3
409.11926	14.2
421.11676	2.0
423.09351	1.2
433.11777	1.2
439.13031	18.2
444.49960	1.3
463.13141	5.0
481.09238	1.0
481.14227	12.1
499.15128	25.6
541.15826	2.4
571.17175	1.6
643.16797	1.1
661.20380	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	662.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
55.01863	0.6
55.05477	0.3
56.05015	0.8
67.05489	0.7
68.99792	1.8
69.03412	0.4
69.07043	0.4
69.29267	0.9
69.29689	1.1
70.06587	0.2
77.03922	0.3
79.05473	1.0
79.77324	0.2
81.03410	0.7
81.07066	1.4
85.02861	0.2
91.05476	1.8
93.07034	1.3
95.04962	0.7
95.08591	0.6
98.97580	1.3
103.05457	1.2
105.03362	0.3
105.06991	0.6
107.04959	2.1
107.08591	0.9
108.73666	0.2
109.06532	0.4
109.10165	0.7
110.97581	0.5
112.07656	0.3
119.04947	2.9
121.06498	3.2
121.10122	1.2
122.10494	0.3
123.04433	18.9
127.49887	0.3
131.04910	0.9
133.06488	0.4
135.04425	2.8
135.11641	0.4
137.05992	1.1
137.13240	0.3
139.03885	1.1
140.07034	0.3
143.05089	0.3
146.02309	0.3
147.04413	12.5
149.05992	8.0
151.03912	0.9
158.03085	0.3
158.99701	0.5
159.04449	1.3
161.06017	1.7
163.03893	0.5
165.05486	7.7
170.99689	0.5
173.05966	0.5
176.03346	0.7
177.05472	100.0
177.16389	0.8
178.05769	0.7
179.07060	0.6
185.03972	0.3
189.05457	1.4
191.07133	0.4
203.07050	3.0
207.06512	2.3
207.09546	0.5
214.08604	2.7
214.58809	0.8
219.01816	0.5
219.06534	0.4
220.09688	1.1
223.09177	0.9
249.02904	1.0
273.11731	1.1
273.61795	0.5
283.12134	0.7
302.51831	0.3
311.09152	0.7
329.10196	40.7
330.10538	0.5
341.10062	1.4
358.12860	0.9
372.14368	1.8
408.18924	2.1
408.69162	2.2
409.19476	1.0
427.16620	1.0
467.22165	1.9
467.72476	3.7
468.22455	1.1
475.14111	0.7
493.14996	0.9
510.17514	1.1
574.05408	0.3
662.22321	20.5
663.21869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05009	0.2
53.03949	0.5
55.01862	0.5
56.05013	0.6
65.03939	0.4
67.05495	0.4
68.99788	1.8
69.03415	0.4
69.63290	0.7
69.63708	0.6
71.01337	0.3
77.03937	0.4
79.05473	0.8
81.03413	0.4
81.07063	1.1
85.02909	0.3
91.05489	1.7
93.07063	1.3
93.07527	0.3
95.04963	1.0
103.05479	1.3
105.07001	0.3
107.04951	1.7
107.08585	0.3
108.60718	0.2
109.06520	0.5
114.39395	0.2
115.05455	0.2
119.04957	2.9
119.08626	0.2
121.06511	3.5
121.59624	0.2
123.04439	20.8
127.03873	0.2
131.04974	1.1
133.06485	0.4
135.04434	2.6
137.02345	0.3
137.06009	1.1
139.03941	1.0
147.04420	12.8
149.05997	7.5
151.03914	1.2
151.07663	0.2
159.04410	1.6
161.05975	1.5
163.03877	0.5
163.07527	0.4
165.05490	8.7
165.06909	0.5
173.05986	0.4
177.05479	100.0
178.05792	0.5
179.06987	0.6
189.05496	0.9
191.07030	0.6
203.07045	2.3
207.06575	2.2
219.06435	0.5
220.09674	1.1
223.07790	0.3
240.08548	0.2
278.71649	0.2
311.09149	0.8
329.10211	40.2
330.10529	0.4
335.09283	0.3
341.10254	1.3
358.12811	0.7
372.14453	2.4
469.29633	0.3
475.13934	0.5
493.15085	1.1
510.17670	1.4
662.22333	23.5
663.22516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88102	1.0
53.03936	3.2
54.95903	0.9
55.01862	2.0
55.05276	1.0
55.05514	14.2
57.03192	1.4
57.03442	18.1
59.23537	1.0
61.02917	3.6
61.98102	0.9
65.03962	1.4
65.53262	1.1
67.05508	33.1
69.03434	3.5
69.06770	1.1
69.07074	11.1
69.25345	9.8
71.01347	1.6
71.04991	5.8
73.02895	1.5
79.05498	39.2
81.03422	50.0
81.07062	26.6
83.04986	13.8
83.08628	17.7
84.15878	0.9
85.02914	16.5
85.06549	2.3
91.03944	1.3
91.05485	25.5
93.07049	40.1
95.04977	18.6
95.08617	9.4
97.02888	3.8
97.06538	9.0
97.10178	7.6
98.21452	2.0
99.08065	1.1
105.04490	1.9
105.07039	14.4
107.04974	5.6
107.08608	21.1
109.06519	3.8
109.10170	5.1
111.04472	1.2
111.08090	7.6
115.05482	1.2
117.07022	4.0
119.08582	15.3
121.06516	2.3
121.10126	8.3
123.08047	1.3
123.11693	1.3
123.21814	0.9
125.09625	2.6
127.03928	1.6
129.06992	8.2
131.08580	7.2
133.06519	2.3
133.10164	7.4
135.10692	1.9
135.11703	33.6
137.09641	1.4
142.07756	1.5
145.10130	6.2
147.08051	1.6
147.11673	9.9
149.09613	3.1
151.11314	1.0
157.10124	8.3
163.11159	4.5
165.12747	2.5
175.11215	11.4
181.12233	6.3
186.38666	1.0
193.12260	26.2
211.13300	45.7
233.97739	1.2
255.15926	69.8
256.16431	1.2
267.15933	22.7
285.16992	33.3
330.89297	1.1
403.24774	1.3
421.25513	2.1
445.62585	1.0
447.27454	70.7
448.27945	1.8
465.28503	100.0
466.28619	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	663.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
57.03441	3.2
61.02930	41.2
62.15673	1.2
67.05496	1.3
69.03431	8.3
70.06585	2.3
71.01353	1.3
71.04631	2.1
73.02918	20.2
73.33670	1.2
81.03419	3.3
85.02908	79.3
85.84271	1.2
91.03958	57.3
91.05455	2.3
93.07056	1.3
95.00761	2.3
95.01328	24.0
95.08637	1.8
97.02892	40.4
99.00816	2.3
99.04439	2.4
101.02395	1.7
103.03934	5.0
105.07072	1.9
109.02880	4.0
109.10162	1.4
112.07585	1.4
113.02340	2.6
115.03910	2.6
123.00871	1.4
123.04430	5.3
123.07980	1.5
127.03921	31.6
131.04991	1.2
132.88402	1.2
135.08028	1.3
135.11717	1.1
139.03915	2.6
141.01834	93.2
145.04962	48.1
147.04424	2.6
151.03912	8.4
159.02911	17.9
163.06023	100.0
165.05482	2.2
177.03940	3.7
177.05511	6.4
178.05885	2.9
199.08809	1.2
204.08730	1.7
213.10251	1.3
225.10223	1.1
227.11736	1.1
245.13057	1.2
255.11314	2.9
285.05954	2.5
301.11743	3.2
303.08493	5.0
313.11923	2.7
321.08121	6.8
329.11053	1.8
330.10544	2.5
339.09396	5.3
361.13849	5.5
373.13696	1.9
451.15088	1.5
631.18561	5.9
663.21637	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	663.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.7
60.94013	0.8
61.02932	35.8
69.03445	6.0
71.01329	1.1
73.02919	16.3
81.03418	2.6
83.01348	1.1
85.02911	59.8
91.03961	48.1
95.01339	19.7
97.02902	31.7
99.00821	2.5
99.04465	3.0
101.02380	1.9
103.03967	5.3
109.02883	3.2
113.02390	2.6
115.03938	2.8
123.00789	1.3
127.03922	29.6
131.03409	1.1
141.01839	76.1
145.04970	42.1
148.14581	0.9
159.02896	15.3
163.06029	100.0
177.03975	2.8
220.32727	0.9
222.92586	1.0
229.07140	1.1
229.09491	1.0
250.44823	0.9
285.06036	3.7
303.07245	2.4
321.08139	7.5
339.09341	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	663.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30952	0.9
57.03437	2.7
58.92077	1.1
61.02927	39.0
64.91580	1.1
69.03433	8.0
69.33763	9.5
71.01369	1.9
73.02921	16.5
77.38306	1.0
81.03413	2.7
85.02905	73.8
86.09713	1.7
91.03958	48.9
95.01324	24.1
97.02892	38.2
99.00810	3.2
99.04462	2.8
101.02372	2.2
103.03961	4.8
109.02865	2.6
113.02380	2.4
114.58471	0.9
115.03903	5.0
125.00011	1.4
127.03922	31.0
137.33640	1.1
141.01828	82.3
145.04961	44.7
151.96649	1.1
154.02823	1.1
159.02892	16.9
159.04103	1.5
163.06017	100.0
177.03951	4.3
179.10828	1.0
184.07344	8.0
185.07745	1.4
194.20578	1.1
195.56984	1.0
204.85599	1.0
209.95174	1.1
232.38454	1.3
244.26599	1.0
279.31680	1.1
285.06088	3.1
303.07263	1.8
321.08133	7.7
325.11353	2.0
325.84164	1.1
339.09253	4.6
432.94009	1.1
454.03894	1.1
473.00848	1.0
663.36438	1.3
678.91418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	3.9
57.26085	1.1
61.02927	40.4
62.07545	1.2
66.12275	1.1
68.99763	1.2
69.03420	6.9
69.81683	6.0
70.80291	1.0
71.01357	1.5
73.02917	19.2
81.03413	3.1
85.02907	77.2
91.03957	56.5
91.05502	1.6
95.01332	24.8
97.02293	2.3
97.02896	42.2
99.00811	1.8
99.04460	3.9
101.02385	2.4
103.03948	5.1
109.02880	3.2
113.02351	3.8
115.03930	4.2
123.00819	1.1
127.03914	31.7
130.85962	1.2
131.03455	2.1
133.10194	1.6
141.01826	91.9
145.04959	50.6
159.02888	18.3
162.09740	1.0
163.06015	100.0
177.04015	3.8
285.05972	2.4
303.07172	2.1
321.08148	8.6
325.11349	1.9
339.09067	5.8
466.28723	1.5
534.53748	1.2
614.19934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53986	0.6
55.01898	1.0
55.30603	0.6
55.98742	0.6
57.03436	3.7
61.02933	38.8
69.03439	4.9
69.81026	3.1
71.01360	1.5
73.02923	16.6
75.04509	0.7
79.05494	1.0
81.03422	3.3
83.01357	1.4
85.02911	76.5
87.04499	1.8
88.99713	0.6
91.03963	53.8
95.01336	23.5
95.01945	0.7
97.02900	37.1
97.70696	0.6
98.21404	1.1
99.00827	1.5
99.04460	4.6
101.02388	1.1
101.61269	0.6
103.03942	6.0
107.08614	0.7
109.02900	2.8
113.02382	4.3
115.03909	3.0
123.00826	1.9
127.03928	33.5
131.03438	1.5
131.08597	0.9
139.03922	0.9
141.01839	84.3
142.02170	0.8
145.04973	46.8
159.02902	16.0
163.06030	100.0
173.40019	0.6
177.03976	3.5
189.68294	0.6
204.08711	1.1
249.34520	0.7
262.53262	0.7
285.05994	2.5
303.07190	3.2
321.08218	7.1
325.11130	1.2
339.09286	5.1
341.99905	0.7
689.61780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01875	1.4
55.05500	3.8
57.03440	5.1
61.02927	39.6
65.25439	1.0
67.05513	2.1
69.03436	7.3
69.07053	2.0
69.37072	6.7
71.01373	1.6
71.04986	2.2
73.02922	18.9
79.05479	2.2
81.03410	4.4
81.07056	3.8
83.01365	1.1
83.04982	19.9
85.02908	79.9
87.04390	1.2
91.03958	57.9
91.05486	2.3
93.07033	2.8
95.00762	1.5
95.01333	21.9
95.04950	1.2
95.08575	4.6
95.79079	1.0
97.02896	44.0
99.00804	1.8
99.04480	5.4
101.02385	2.1
103.03924	5.6
105.07030	4.2
107.08597	3.9
109.02879	3.8
109.06516	2.0
109.10131	3.4
111.04450	17.8
112.07609	1.1
113.02355	3.5
115.03925	3.2
119.08598	2.4
121.06548	1.1
121.10148	2.6
123.04460	1.8
123.08053	1.3
123.11687	0.9
127.03922	34.7
129.05466	1.5
131.03358	1.4
131.08585	2.1
133.10094	2.0
133.32498	1.0
135.11697	2.0
137.05971	3.4
139.03935	1.4
141.01833	88.4
143.08492	1.1
145.04965	44.5
145.10089	2.0
147.04382	1.5
147.11693	1.7
149.06053	1.2
153.05490	1.2
157.10068	1.1
158.19627	1.0
159.02901	19.2
161.05992	1.1
161.09552	2.0
163.06026	100.0
163.11179	1.6
167.06973	1.5
171.06537	5.3
177.03999	2.3
231.08476	1.3
285.06079	2.8
287.05637	6.0
303.07233	1.5
309.12308	1.9
321.08133	6.9
325.11526	1.7
327.13370	1.5
339.09290	6.1
339.13055	1.6
351.13672	1.7
369.14581	6.2
401.17081	2.0
447.14600	1.0
470.61685	0.9
508.20889	2.4
540.22876	1.5
599.24884	2.4
663.22668	1.1
663.36041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01854	1.2
55.05484	1.0
55.35941	0.6
57.03436	3.8
61.02929	37.3
67.05471	0.8
69.03434	4.9
69.07079	0.8
69.38695	3.8
69.39098	1.5
71.01345	1.9
71.04993	1.4
73.02918	18.6
79.05489	0.7
81.03415	3.1
81.07030	0.9
83.01328	1.3
85.02908	70.7
87.04467	1.0
91.03958	55.5
93.07063	1.2
95.01331	22.8
95.08613	1.5
97.02898	37.4
99.00803	3.4
99.04447	3.0
101.02341	1.1
103.03924	4.5
105.07015	2.0
107.08591	1.5
109.02885	3.8
113.02361	2.7
115.03923	2.6
119.08578	1.2
121.10197	0.6
123.00789	1.3
127.03915	34.4
131.03436	1.4
133.10172	1.6
139.03906	1.3
141.01831	83.9
145.04962	44.8
145.06168	1.0
145.10043	0.7
154.84154	0.7
159.02907	17.7
159.04260	0.9
161.09679	0.7
163.06021	100.0
177.03976	3.8
183.48343	0.8
184.07394	1.2
196.86980	0.7
197.33617	0.8
204.65852	0.7
210.07533	0.6
229.07097	0.8
285.06046	3.4
303.07169	2.1
321.08148	8.2
325.11246	1.5
339.09213	6.4
419.94778	0.9
663.33661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01892	0.9
57.03432	3.2
58.45170	0.9
61.02932	37.7
69.03432	5.5
70.70683	1.4
70.71015	1.4
71.01329	1.2
71.04971	1.3
73.02922	19.5
73.25521	0.8
75.04462	0.9
76.10638	0.8
77.95361	0.8
81.03423	3.6
81.07068	0.9
83.15308	0.8
85.02914	71.3
85.15434	0.9
91.03961	55.2
95.01341	21.4
95.08601	0.9
97.02903	40.3
99.00851	1.5
99.04462	3.4
103.03951	4.8
105.07034	1.2
107.08553	0.9
109.02897	2.1
113.02359	4.3
115.03944	3.6
123.00751	1.2
127.03927	31.0
131.03392	2.2
133.10170	1.1
141.01836	87.7
145.04976	45.5
159.02911	16.4
163.06029	100.0
164.06398	1.3
177.03937	2.9
197.62392	0.9
285.06046	3.6
303.07074	3.5
321.08228	7.1
325.11282	1.3
339.09332	6.4
364.93845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05062	0.8
50.30838	0.8
50.48387	0.9
52.12550	0.9
55.01853	0.9
57.03428	2.9
61.02930	39.7
69.03429	6.5
69.88359	1.7
69.88774	3.6
71.01371	1.1
71.05008	1.2
73.02916	18.8
81.03416	2.7
82.58022	0.8
85.02909	75.8
85.52996	1.0
87.04464	1.5
91.03957	52.2
95.01338	22.8
97.02892	39.2
99.00816	2.8
99.04448	3.3
99.24712	0.9
101.02398	1.8
103.03927	4.9
109.02898	2.9
113.02357	2.4
115.03935	4.1
123.00794	1.8
127.03915	31.9
127.04814	2.0
131.03392	1.1
141.01833	82.3
145.04964	42.0
156.45833	0.9
159.02899	17.5
163.06021	100.0
164.06303	1.0
177.03972	4.0
193.26907	1.0
285.06024	2.7
303.07135	3.5
321.08209	8.2
339.09247	5.7
427.85107	1.0
538.73651	1.1
646.00311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91965	0.9
53.49478	0.9
57.03431	4.0
61.02927	33.5
62.27376	0.9
69.03429	5.1
70.04756	3.8
70.59042	0.9
71.01348	1.6
73.02914	18.4
81.03413	2.7
85.02908	65.4
91.03955	51.7
95.01334	19.1
97.02894	33.3
98.21468	1.1
99.00813	1.5
99.04452	3.7
101.02378	1.3
103.03939	5.0
109.02905	2.3
113.02350	4.1
115.03924	2.6
123.00828	1.6
127.03916	28.7
127.04815	2.1
131.03403	1.8
141.01830	73.5
145.04956	38.6
148.21219	0.8
159.02892	15.1
159.04111	1.7
163.06018	100.0
177.03973	3.5
186.24326	0.9
285.06049	3.6
295.53345	0.9
303.07135	2.3
321.08163	7.0
339.09283	5.4
580.85626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67609	1.1
53.03933	0.9
55.01844	0.9
57.03435	3.8
57.61193	0.9
61.02934	39.2
61.78345	1.0
63.94177	1.0
69.03442	5.5
71.04621	2.1
71.04964	1.3
73.02552	1.7
73.02926	16.7
79.05519	1.1
81.03449	2.3
85.02915	75.0
87.04457	1.6
91.03965	56.1
93.15996	1.0
94.10001	1.0
95.00765	1.9
95.01340	26.6
95.87836	1.0
97.02899	38.3
99.00819	2.6
99.04461	3.5
101.02399	2.6
103.03965	7.4
109.02901	2.4
113.02380	2.9
115.03941	4.3
117.05539	1.2
123.00807	1.2
127.03931	32.5
130.69348	0.9
131.03458	2.0
139.03871	1.0
141.01845	80.9
145.04974	49.3
145.06145	2.1
159.02905	15.9
163.06035	100.0
177.03961	3.4
183.44116	1.0
184.07362	2.3
184.98235	0.9
185.28101	1.1
237.98274	0.9
285.06012	2.6
303.07214	3.3
315.84164	1.0
321.08218	7.4
339.09250	5.8
466.29260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.7
57.03423	4.0
61.02930	40.5
67.05505	2.4
69.03433	8.1
69.86545	2.9
69.86950	5.7
71.01368	1.7
73.02918	19.1
81.03399	4.8
81.11785	1.6
81.65920	1.3
83.04961	1.6
83.50606	1.7
85.02905	78.0
87.04492	1.9
91.03952	58.9
91.05466	1.6
95.00759	2.4
95.01328	26.4
97.02287	2.6
97.02893	40.5
99.00819	3.7
99.04462	3.2
101.02356	1.9
103.03924	5.1
107.08594	1.5
109.02847	1.8
113.02338	2.6
115.03929	3.5
125.32904	1.4
127.03911	33.5
136.45268	1.7
141.01826	92.1
145.04950	50.6
150.52875	1.6
159.02878	16.9
163.06020	100.0
163.11217	2.0
177.03992	2.2
285.06061	2.8
303.07047	4.2
321.08206	6.1
339.09164	5.4
472.01062	1.7
503.71936	1.6
663.35535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01865	1.0
56.88646	0.9
57.03432	3.2
61.02934	36.3
67.05496	1.4
69.03434	9.3
69.47955	6.3
70.06599	47.7
71.04994	2.0
71.06942	6.7
73.02923	19.6
79.05496	1.2
81.03416	4.1
81.07071	2.5
83.01343	1.7
85.02916	73.2
87.04470	1.2
91.03967	58.1
91.05496	2.1
93.07056	2.5
95.01341	21.3
95.04942	1.0
95.08582	1.6
97.02904	38.1
98.21488	1.7
99.00796	1.9
99.04461	4.8
101.02415	1.3
103.03944	4.9
105.07055	2.5
107.08620	1.4
109.02881	7.0
109.10152	1.1
112.07619	46.3
113.02393	3.4
113.07962	6.9
115.03938	4.1
116.07084	1.3
119.08556	2.0
121.06546	0.9
123.00807	1.9
123.04428	2.8
123.11777	1.4
127.03932	34.3
129.05499	1.3
131.03407	1.7
133.10133	1.8
135.08041	1.1
135.11751	1.0
137.05978	2.0
139.03883	1.9
140.05978	1.3
140.07080	29.0
141.01846	88.7
141.07451	8.2
145.04974	42.5
147.04446	1.2
151.03937	1.7
158.08133	6.5
159.02910	15.6
159.08418	1.3
163.06036	100.0
167.07071	1.8
177.03979	3.0
177.05505	5.5
178.05823	1.6
181.05016	1.0
200.73778	0.9
219.05034	1.1
237.02974	1.1
262.70486	0.9
266.10202	1.5
284.11319	4.9
285.06119	2.7
285.11642	3.2
302.12344	2.2
303.07281	2.7
303.12692	1.4
321.08057	6.3
339.09253	4.3
349.19995	1.9
411.30344	1.0
482.49194	1.0
663.29346	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	663.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58758	2.8
56.84769	2.7
56.96551	4.9
57.03423	6.0
61.02927	37.7
67.05501	10.8
69.03410	9.4
69.07086	4.2
70.19046	11.8
73.02911	21.1
79.05485	7.5
79.61635	3.4
81.03413	6.9
81.07043	9.8
85.02900	74.7
91.03411	5.7
91.03952	62.9
91.05476	3.6
93.07024	6.0
93.98036	3.2
95.01313	23.8
95.08607	7.1
97.02889	49.9
99.04455	4.3
103.03938	6.7
105.07053	4.3
107.08607	8.1
109.02885	3.3
109.10166	4.5
113.02320	3.8
115.03891	4.9
119.08569	3.9
123.04472	3.2
127.03925	37.3
135.04442	4.2
139.03857	7.6
141.01825	89.0
143.00017	3.0
145.03909	4.5
145.04968	51.1
146.05479	3.0
159.02866	17.7
159.11606	3.6
163.06015	100.0
163.07390	5.4
166.10818	3.4
167.07034	3.0
168.28587	3.1
169.76054	2.9
169.98929	2.9
177.03969	6.6
221.23219	3.3
308.99936	2.9
314.70511	3.4
321.08151	8.7
339.09253	8.5
610.27679	3.6
663.33441	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
57.07080	51.1
57.07474	1.7
71.14568	0.9
87.04419	2.1
91.05485	5.9
91.58840	0.5
95.04939	1.1
105.06988	2.1
113.70940	0.5
117.07041	0.5
119.08552	1.0
127.07574	0.5
133.09987	0.6
147.11682	7.4
152.06213	0.7
153.07021	3.1
158.09604	0.5
175.01512	0.6
228.09309	1.2
229.09996	1.3
233.03648	5.6
251.04675	16.3
251.13029	0.5
306.08557	0.6
307.10797	1.4
316.96793	0.6
327.07816	100.0
328.08197	1.5
363.17010	0.9
383.14072	67.0
384.14282	0.6
439.20355	73.0
440.20074	0.9
461.23392	0.6
495.26614	63.9
496.27026	1.4
536.30676	0.5
551.32886	98.3
552.33319	1.9
607.39124	82.6
608.39227	2.1
663.45392	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05042	0.5
55.05513	5.7
57.03161	0.5
57.03437	10.9
57.07078	21.7
59.04989	2.4
61.02931	4.2
65.03930	0.8
67.05507	60.4
69.03419	1.4
69.07060	4.9
70.48007	1.7
71.04997	3.4
71.08636	16.0
73.02902	0.9
76.24052	0.5
78.63565	0.4
79.05501	1.5
81.06593	0.7
81.07063	13.6
83.08621	9.3
85.02899	4.3
85.06528	2.4
85.09725	1.0
85.10188	10.3
87.04440	0.9
89.06024	1.2
91.03954	2.8
91.05479	3.9
93.07033	2.5
95.08606	13.8
97.02896	1.5
97.06528	0.7
97.10169	3.4
99.04440	0.7
102.44247	0.5
107.08611	1.8
109.10158	62.9
111.08068	2.7
119.08583	4.5
121.10143	0.7
123.11699	2.1
137.09642	3.6
137.13266	0.8
155.10640	5.5
173.11743	17.2
229.14355	100.0
239.23666	1.4
257.24841	1.4
313.27362	80.3
314.27713	1.1
356.28748	0.6
467.37350	64.0
501.63974	0.6
664.47412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83026	0.2
53.03946	0.7
55.01880	0.3
55.05518	1.1
57.03442	1.1
61.02928	4.2
65.03943	0.4
67.05504	5.2
69.03436	2.4
69.07079	1.7
71.01348	0.3
71.04979	0.7
73.02911	2.7
79.05489	2.9
81.03416	1.5
81.07056	6.7
83.04980	0.7
83.08604	1.9
85.02912	4.1
85.06535	0.5
87.04501	0.3
91.03952	2.3
91.05473	1.9
93.07043	5.1
94.64858	0.2
95.04993	0.5
95.08604	1.7
97.02894	3.8
97.06522	1.3
97.10161	0.3
99.04485	0.8
99.08085	0.4
99.37876	0.2
101.02388	1.4
103.03939	0.5
105.07036	1.1
107.08591	3.0
109.02908	0.8
109.06506	0.3
109.10175	0.8
111.08106	0.9
117.07038	0.7
119.08575	0.7
121.06553	0.3
121.10149	1.9
123.07988	0.3
127.03879	1.4
129.05455	0.3
129.07048	0.3
131.08582	1.1
133.10168	0.9
135.08002	0.2
135.11697	0.8
141.01816	0.3
145.04987	0.5
145.10162	0.4
147.11749	0.4
149.13257	3.9
158.95015	0.3
159.11710	1.5
163.06075	0.3
177.12726	0.7
185.04285	0.3
195.13744	1.2
203.05309	0.3
235.13051	2.1
243.08424	1.8
269.17606	0.9
271.06110	0.3
275.20139	0.5
291.15778	1.0
373.18613	0.3
373.32501	0.3
453.20935	16.0
454.21674	0.3
558.80212	0.3
559.64618	0.3
665.35065	100.0
666.35425	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	665.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01851	0.4
55.05507	1.0
56.21204	0.2
57.03433	1.5
58.79442	0.2
60.28273	0.2
61.02934	3.6
67.05512	4.9
67.78596	0.2
69.03431	2.0
69.07065	1.6
69.17210	2.3
71.04981	0.6
73.02924	2.5
77.66212	0.2
78.28443	0.2
79.05493	2.8
81.03430	1.8
81.07063	5.9
83.04987	0.5
83.08630	1.5
85.02908	3.8
85.06548	0.4
91.03975	2.5
91.05492	1.9
93.07048	4.4
95.04961	0.5
95.08617	1.4
97.02910	3.3
97.06557	1.0
97.10202	0.3
99.04468	0.8
99.08105	0.3
101.02396	1.1
105.07053	0.8
107.04979	0.4
107.08601	2.5
109.02885	0.6
109.10178	0.9
111.08087	0.8
117.07048	1.1
119.08585	0.5
121.06510	0.3
121.10159	1.6
123.11720	0.5
127.03918	1.1
131.08595	0.9
133.10158	1.5
135.08095	0.3
135.11697	1.5
145.05011	0.3
145.10144	0.5
147.11693	0.3
149.13293	2.6
159.11734	1.1
163.11275	0.3
177.12852	0.4
185.04221	0.4
195.13809	1.5
203.05318	0.5
213.30986	0.3
235.13062	1.5
243.08340	1.7
269.17569	1.0
274.47064	0.3
275.20087	0.3
281.45981	0.3
291.15869	0.8
319.66116	0.3
400.77765	0.3
453.20987	15.3
454.21442	0.4
500.21017	0.3
665.35107	100.0
666.35345	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	665.3514
Annotation	Hirsutellide A
Peak:m/z	Relative Intensity
51.03418	0.5
53.03962	0.8
55.05522	1.1
57.03450	1.2
61.02935	4.6
67.05512	5.0
69.03444	2.8
69.07082	1.5
70.36954	1.9
71.05015	0.8
73.02931	3.0
79.05125	0.5
79.05502	3.7
81.03432	1.3
81.07069	6.4
82.94846	0.6
83.08648	2.0
85.02921	3.4
91.03941	3.3
91.05495	2.7
93.07047	5.3
95.04984	0.8
95.08618	2.4
97.02903	3.6
97.06548	1.2
99.04496	0.8
101.02406	2.0
103.03963	0.7
105.07037	1.5
107.08606	3.0
109.02832	0.7
109.10153	1.0
111.08063	0.6
117.07034	1.0
119.08614	1.5
121.10136	1.2
123.08074	0.9
127.03956	1.0
131.08577	0.9
133.10158	2.6
135.11729	1.3
145.05003	0.8
145.10229	0.8
149.12132	0.5
149.13286	2.3
157.10033	0.6
159.11659	1.0
177.12830	0.9
195.13864	1.2
198.39815	0.6
235.13182	1.8
243.08556	1.6
263.41251	0.6
269.17514	0.8
427.18188	0.6
453.20959	14.7
540.63611	0.6
582.71948	0.6
665.35120	100.0
666.35297	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	665.3903
Annotation	Quadranoside V
Peak:m/z	Relative Intensity
53.03951	2.9
55.01865	2.3
55.05514	5.9
56.96553	0.8
57.03450	3.0
57.07069	1.8
59.63569	0.6
60.27431	0.6
61.02938	5.0
65.03949	1.1
67.05511	7.7
69.03436	14.0
69.07074	6.5
70.06593	0.7
71.05000	1.9
73.02922	2.6
77.03929	0.9
79.05494	10.0
81.03423	6.3
81.06583	1.4
81.07065	28.0
83.01323	0.7
83.04990	1.0
83.08631	5.3
85.02914	31.3
85.06545	2.1
87.04479	2.0
91.03973	3.3
91.05486	11.8
93.07055	18.2
95.01347	0.6
95.04974	3.3
95.08619	31.1
97.02902	13.9
97.06548	2.2
97.10188	2.8
98.21574	1.2
99.04484	2.3
99.08095	2.5
105.07043	23.8
107.04964	2.1
107.08607	27.4
109.02882	4.1
109.06535	6.7
109.10164	15.7
111.04422	1.1
111.08107	3.3
113.09637	1.1
113.70560	0.6
115.03912	0.8
115.05480	1.1
117.07031	4.4
119.05013	1.2
119.08591	32.1
119.39954	0.8
121.06513	4.1
121.09315	1.4
121.10158	21.1
123.04472	1.0
123.08092	8.5
123.11721	6.1
125.06036	1.4
125.09636	2.0
127.03932	6.9
128.06242	1.3
129.07001	2.4
131.08572	10.2
133.06538	1.7
133.10144	34.9
135.08075	6.9
135.11713	17.4
136.55115	0.6
137.05989	1.6
137.09648	5.0
137.13312	1.2
139.11145	1.8
141.01852	2.0
141.07062	0.8
142.07774	1.6
143.08563	8.2
143.58415	0.6
144.09343	2.0
145.04967	5.7
145.06111	0.6
145.06587	0.8
145.10138	19.5
146.07294	0.6
146.10791	0.7
147.08083	5.4
147.11697	21.4
149.09605	4.8
149.13266	9.1
151.07558	1.8
151.11200	2.2
155.08482	1.4
156.09373	1.5
157.10156	10.0
158.10893	1.0
159.08064	3.2
159.11714	17.1
161.09631	8.8
161.13269	12.8
163.06042	2.5
163.07567	1.8
163.11201	6.0
163.14822	6.2
164.06345	1.0
164.10820	0.8
165.09109	1.2
165.12856	1.7
167.07068	1.6
167.08549	1.1
167.14343	1.2
169.10127	3.4
171.08086	0.9
171.11710	8.8
172.08841	0.7
172.12379	0.8
173.09615	3.1
173.13283	15.3
175.11224	6.9
175.14847	7.6
177.09113	1.8
177.12720	2.0
177.16412	1.9
179.10744	1.6
181.08612	0.6
181.10153	1.5
181.12320	0.8
182.10854	0.9
183.11714	7.6
184.12498	1.2
185.09596	2.3
185.13269	5.9
187.11194	5.2
187.14841	9.1
189.12814	4.1
189.16403	20.2
191.10712	1.3
191.14325	1.7
191.18025	1.3
192.10268	1.1
193.12296	2.8
195.11728	3.3
197.09663	1.0
197.13284	5.5
199.11130	2.9
199.14841	8.7
201.12708	4.2
201.16374	4.3
203.14384	2.7
203.18060	1.6
205.12321	1.1
205.15875	1.2
207.11824	0.7
207.13835	0.9
207.17432	4.2
209.13335	2.1
211.14845	2.4
213.12762	2.6
213.16394	3.1
215.14363	7.5
215.17964	2.4
217.12337	2.3
217.15906	18.7
219.13904	1.9
219.17532	2.5
223.14873	1.4
224.15649	0.7
225.12827	1.1
225.16382	1.9
227.14355	1.8
227.17999	1.5
229.16019	2.9
229.19525	10.6
229.70337	0.8
231.13745	1.1
231.17455	1.3
233.15392	4.5
235.16937	33.4
237.16458	1.5
239.14398	1.1
239.18010	7.2
241.19594	1.5
243.13893	1.3
243.17470	1.6
247.17035	1.6
247.20700	2.5
249.16345	0.9
251.18092	0.9
255.17479	1.4
256.04617	0.7
257.16089	1.1
257.19031	22.4
259.13284	0.8
259.20703	1.0
261.18646	1.5
265.19800	0.8
267.17538	2.0
267.20966	0.8
269.19037	2.8
271.20688	0.8
273.18829	0.8
273.22073	0.7
275.20117	20.7
281.18970	0.8
283.20602	1.3
285.18484	1.4
287.20187	1.7
295.20651	0.8
301.21829	1.1
309.22211	1.3
313.18237	1.5
313.21716	1.0
321.22202	0.8
323.23712	1.0
325.21600	1.2
331.19116	0.8
333.21985	0.8
339.19305	1.0
341.21130	0.8
341.25049	1.5
343.26376	0.8
353.21057	1.2
369.24228	0.9
371.22174	1.5
379.22653	1.2
385.28854	1.4
393.31726	1.2
397.22269	3.9
403.29913	5.0
405.31628	3.6
421.31052	15.4
423.32632	15.3
431.29514	4.1
439.32138	21.9
441.33917	3.9
449.30579	25.5
455.31403	0.9
457.33160	18.7
457.39450	1.3
467.31610	61.3
468.32251	0.8
485.32678	100.0
486.33017	1.1
503.33792	9.2
603.38666	1.1
615.24207	1.1
619.38538	3.2
629.37170	1.0
647.29010	0.9
647.38062	5.2
665.38177	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	667.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01855	3.0
58.75718	1.3
61.02909	1.5
62.22842	1.5
69.03430	8.4
69.07059	1.8
69.42719	8.3
71.05006	3.4
79.05505	6.9
81.03416	11.4
81.07051	3.4
85.02908	11.1
87.00817	5.0
88.28504	1.6
91.05484	4.8
93.07046	2.9
95.04948	3.4
95.08602	3.6
97.02906	8.2
97.54866	1.3
98.20753	2.8
99.04433	3.3
103.05487	3.3
105.01838	3.2
105.07018	5.7
107.04958	16.0
108.38467	1.4
108.68950	1.3
109.02881	4.8
115.05448	5.7
117.07024	10.1
119.08604	1.7
121.06551	2.2
123.04432	5.1
124.26077	1.4
125.05993	2.4
127.03957	7.9
129.07024	3.2
129.32869	1.4
131.08565	5.2
133.06512	2.7
137.06004	5.0
141.06989	2.4
144.05701	5.4
145.06497	23.4
147.04388	2.6
152.04655	2.4
155.06020	3.7
156.05721	5.3
157.06535	2.4
159.08049	9.7
161.05980	6.5
163.03915	1.8
167.07045	81.0
168.07404	2.1
172.05193	1.6
173.05995	35.0
175.07558	2.0
177.05499	1.8
179.03386	1.5
181.04947	5.1
181.08601	3.3
184.05112	1.9
187.07550	9.0
190.06242	22.3
191.07106	1.6
193.08638	4.7
195.06491	2.3
202.06300	2.4
203.07024	6.8
205.08607	60.8
207.06551	4.1
208.05165	3.9
209.08052	2.1
215.07013	2.3
217.08604	34.2
219.08218	2.0
219.10170	6.4
226.08577	1.4
230.79193	1.7
231.08011	1.5
231.10219	1.7
233.07997	1.8
235.09650	16.3
236.04724	2.8
247.07428	3.6
247.09674	9.1
248.08398	3.4
249.11285	2.5
254.05717	4.8
264.07794	2.4
265.10712	14.8
267.06564	2.6
269.08054	16.4
271.09717	4.1
272.06531	2.2
275.07108	2.4
277.08633	2.3
278.47028	1.5
279.10358	1.8
282.05505	2.3
282.08856	5.8
289.08511	1.7
291.10205	4.5
292.07248	2.2
293.07925	2.1
299.09207	1.8
301.06882	1.6
307.09653	3.0
308.10406	2.8
315.08636	54.5
318.08713	2.0
319.09738	4.3
321.07614	2.0
323.09296	1.8
323.12799	3.9
328.09518	2.6
330.10971	100.0
331.11661	5.6
337.10605	3.5
339.12180	4.5
341.10522	1.6
343.11667	9.2
351.12280	9.6
353.09927	2.7
359.73468	2.0
368.12729	1.8
369.13422	16.2
371.14880	4.8
372.11957	3.0
383.14899	20.8
401.15958	33.0
411.14639	2.0
415.17340	3.8
417.15448	1.6
431.16907	3.5
461.17508	1.9
509.18094	1.9
527.19122	4.0
663.19244	1.6
666.41083	2.6
667.21588	3.3
667.41113	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	667.3295
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.05513	0.7
57.03440	1.3
61.02928	4.1
67.05496	2.0
69.03418	1.9
69.07064	0.8
69.71573	1.8
69.71992	1.0
73.02911	2.3
79.05500	2.7
81.03409	3.2
81.07053	2.6
83.05006	1.0
83.08629	1.2
85.02900	4.5
85.06502	0.5
90.92718	0.4
91.03953	2.0
91.05487	2.2
91.13101	0.5
93.07076	2.9
95.04977	1.7
95.08623	0.8
97.02887	3.4
97.06519	0.6
97.10133	0.5
101.02383	1.4
101.57894	0.4
103.03891	0.6
105.07036	1.2
107.08607	1.7
109.02856	0.7
119.08595	1.4
121.10107	0.6
124.11150	0.6
125.30957	0.4
127.03931	0.8
129.07033	0.8
130.72095	0.5
131.08525	0.8
133.10168	1.4
135.11708	2.1
136.47246	0.5
145.04910	0.5
145.10086	0.8
147.11708	1.1
157.10088	0.8
157.28352	0.5
175.11182	0.9
182.48625	0.5
193.12224	0.9
201.61623	0.5
211.13237	0.5
221.11522	1.4
243.08403	1.3
251.12531	0.6
311.51688	0.5
439.19479	5.4
469.20490	7.5
667.33002	100.0
668.33582	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	667.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48847	0.7
51.13937	0.7
53.03954	4.9
54.43948	0.6
55.01871	4.1
55.05261	1.1
55.05511	14.1
57.03439	7.7
57.07077	33.7
62.28269	0.7
65.03931	1.9
67.05504	28.9
69.03432	15.1
69.07074	10.8
69.27084	4.0
69.27512	2.3
71.01340	0.7
71.05000	5.6
71.08633	25.5
78.91022	0.6
79.05494	15.3
81.03419	76.3
81.07056	33.4
83.01307	0.6
83.04977	10.6
83.08618	19.5
83.71279	0.7
85.02901	8.9
85.06532	2.3
85.10185	12.2
86.86730	0.6
91.04897	1.1
91.05477	18.2
93.07040	11.5
95.04971	13.0
95.08607	28.0
95.81944	0.7
97.02888	20.3
97.06518	3.3
97.10175	6.8
99.04458	5.1
99.08095	1.4
99.11749	1.4
101.02414	1.0
103.05464	1.0
105.07035	14.8
105.07689	1.3
107.04974	5.0
107.08614	6.9
109.02876	14.8
109.06532	2.6
109.10155	11.5
111.04445	8.7
111.08070	4.6
111.11712	1.2
113.06039	0.8
115.05440	1.7
117.07015	3.4
119.04932	1.5
119.08583	12.1
121.06522	2.4
121.10123	6.7
123.04437	1.5
123.08077	1.6
123.11710	5.2
125.09631	1.8
127.03920	10.8
128.06189	0.9
129.05490	1.6
129.07016	7.5
131.04951	0.8
131.08571	7.5
132.02295	0.7
133.06517	3.5
133.10138	6.1
135.08037	1.4
135.11696	1.5
137.09616	1.2
137.13268	1.8
141.07019	1.0
142.07756	0.9
143.08568	2.1
145.04964	0.9
145.06491	1.1
145.10159	2.7
147.08054	2.3
147.11682	13.4
147.17957	0.8
149.05971	0.9
149.09656	3.2
153.12752	1.7
155.08565	1.0
157.06462	1.1
157.10129	7.8
159.11644	1.0
163.11156	3.9
165.12767	5.0
171.11778	1.5
173.04446	2.4
175.11200	8.6
181.10361	0.7
181.12268	3.2
183.06491	1.3
183.13788	0.8
185.13289	0.9
189.12845	1.2
191.10707	3.2
193.10458	1.1
193.12242	26.4
211.13297	37.8
221.23257	0.7
227.12502	3.3
227.14633	1.0
229.14363	1.6
235.13365	1.3
239.23712	7.3
245.15437	1.3
249.15067	1.6
250.38928	0.7
255.13841	1.8
257.24893	0.9
265.14429	0.8
267.15875	12.0
267.18588	0.9
273.14938	2.9
283.15585	0.9
285.17023	2.9
291.15970	1.6
293.18188	0.7
301.14371	2.3
309.17072	0.8
313.27359	30.3
319.15533	2.5
319.19092	0.8
337.16510	7.0
347.18698	1.1
355.17413	8.3
383.28027	3.0
393.19272	2.4
411.20071	14.3
505.39023	6.4
523.39978	12.9
523.47137	1.2
536.28687	1.1
585.41675	1.1
601.41095	0.8
631.42297	0.8
649.43243	4.1
667.44165	100.0
668.44385	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	668.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05487	0.8
57.03426	1.0
61.02913	0.7
67.05494	0.9
68.99812	0.5
69.03439	3.5
69.07058	1.2
69.76468	0.5
71.04990	0.8
71.54459	0.7
73.02924	0.5
79.05488	1.3
81.03411	2.8
81.07036	2.2
82.03804	0.6
83.04945	0.6
85.02905	6.8
87.00810	2.2
91.05474	1.8
92.48177	0.5
93.07048	1.4
95.04997	1.0
95.08594	1.8
96.03261	0.5
97.02885	2.4
98.03175	0.5
98.97614	0.5
99.04433	1.2
103.05466	0.9
105.01866	1.2
105.07024	5.3
107.04946	0.7
107.08590	1.1
109.02882	3.0
109.06503	1.5
109.10137	1.3
115.03957	0.5
115.05434	2.2
117.06966	0.7
119.04964	0.7
119.08604	1.2
121.10191	1.2
123.04472	0.8
127.03917	5.6
129.06960	0.7
131.04930	2.5
131.08572	1.0
133.06483	3.9
133.10115	0.6
135.11652	0.8
137.05977	9.2
141.06969	0.8
145.05000	1.8
145.10120	0.9
146.03635	2.5
147.04396	1.3
147.08031	0.7
151.07495	1.5
159.02864	1.1
159.08005	0.6
161.05988	36.1
163.07523	3.7
163.11255	0.6
167.07048	1.3
169.06512	1.0
175.07542	16.4
177.05544	0.8
177.09113	0.8
179.08575	0.9
187.07515	0.8
189.09154	0.8
193.08487	0.7
194.07249	1.4
197.05852	0.5
201.09041	1.5
204.09196	0.5
205.06488	1.2
205.10133	1.4
207.08067	1.9
209.09630	0.8
210.29500	0.5
215.08673	0.8
218.07222	1.0
219.08163	1.0
219.10170	2.8
221.05960	1.6
221.09752	0.6
222.06808	0.8
222.10435	0.7
223.07550	0.7
224.08354	0.8
231.05013	0.9
232.08781	0.9
233.06178	0.7
233.09634	4.3
234.10390	0.9
235.07605	2.9
236.08296	1.0
237.05403	1.0
237.09132	3.2
239.10677	0.8
239.78488	0.5
247.07491	1.0
249.09094	1.0
250.06241	2.7
250.09883	2.5
251.07043	0.8
252.07809	1.7
253.08604	1.2
259.08112	0.5
261.09079	4.5
262.09882	1.5
263.07068	1.3
264.07822	2.3
264.10739	0.6
265.08606	15.5
265.12219	2.5
267.10092	3.0
269.08066	2.1
275.10562	0.6
277.08673	1.4
278.09323	3.5
279.10208	0.9
281.08185	0.6
283.13217	0.9
284.10468	0.9
291.09964	0.6
292.11731	0.6
293.11719	8.1
294.12064	0.6
296.10385	0.9
297.11197	5.3
297.14444	0.8
299.12787	2.9
309.11105	0.9
310.11847	0.9
311.12787	48.3
312.13190	1.4
323.12808	0.7
324.13452	0.5
325.14377	2.5
335.12808	1.8
337.13593	0.6
343.15402	100.0
344.15726	1.7
353.13815	1.2
355.15567	1.2
367.15424	4.4
385.16605	2.9
409.16443	1.6
433.16495	2.2
451.17743	1.6
537.17908	0.7
555.18494	1.5
584.86603	0.6
668.36993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01876	2.4
57.03441	5.7
57.18073	0.5
59.04995	0.5
61.02925	1.9
67.05523	0.7
68.16073	0.5
69.03433	7.7
69.17290	0.5
70.81799	0.5
71.05002	9.5
71.45372	0.8
73.02916	3.3
75.04484	2.7
79.05506	1.7
81.03426	8.0
83.04980	3.7
85.02916	28.0
87.00838	8.1
91.03970	0.5
91.05480	1.1
95.04977	1.7
97.02908	8.3
98.97619	0.9
99.04479	3.5
99.08114	0.9
103.03934	0.9
103.05482	1.3
105.01882	8.0
105.07038	15.5
107.04973	1.6
109.02880	8.9
109.06514	0.7
111.04450	5.3
115.03967	0.6
121.06536	1.0
122.03667	0.8
123.04436	1.2
127.03935	14.5
129.01886	0.8
129.05504	2.8
129.07042	0.9
133.06508	45.4
135.08054	1.1
137.05992	76.3
145.04973	4.8
147.02869	0.8
147.08028	1.0
149.05942	1.0
150.06836	0.7
151.03883	0.7
151.07597	2.1
159.02892	3.0
161.04579	0.5
161.05963	1.3
163.07596	3.9
165.09132	30.7
167.07121	1.2
175.07585	2.8
175.11179	0.8
177.05476	0.6
177.09137	1.6
179.10611	0.7
181.08641	3.1
183.10191	15.4
189.04010	1.0
189.09099	1.7
191.07120	0.6
193.08740	0.8
203.10687	2.1
207.10196	1.0
209.11752	0.9
213.03947	1.3
221.11748	3.1
231.04979	4.4
237.07619	2.4
239.12875	2.0
249.06068	2.1
255.08777	1.7
257.13867	100.0
281.13898	2.2
303.05042	1.2
315.10724	1.8
341.08740	1.4
347.14920	2.4
349.16479	3.9
359.09726	2.3
361.04468	0.8
365.16025	1.2
367.17581	1.1
377.10995	1.9
403.19882	0.8
451.15918	2.0
469.17062	2.3
487.18365	1.0
505.19104	0.6
569.96869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.87261	0.5
55.01874	0.6
57.03441	1.4
66.66337	0.4
67.05499	0.7
69.03437	4.4
70.77929	1.0
71.05000	0.7
72.50404	0.4
73.02928	0.7
74.06078	0.5
74.66013	0.5
79.05486	0.6
79.55907	0.5
81.03424	2.8
83.04992	1.4
85.02923	6.3
87.00848	1.6
89.82267	0.5
91.05484	2.1
93.07043	0.5
95.04970	1.6
97.02925	3.1
99.04441	1.7
103.05482	0.5
105.01904	0.7
105.07046	1.4
107.04991	2.7
109.02893	2.4
111.04453	2.3
115.03948	1.6
115.05465	2.0
117.07033	1.6
119.04964	1.2
121.06505	0.5
123.04504	0.7
127.03938	3.0
128.06232	2.1
129.07018	6.0
131.04924	2.1
131.08568	5.3
132.05722	0.5
133.06471	1.6
133.07355	0.5
133.10179	1.0
137.06012	5.6
141.07031	3.3
142.07780	0.8
143.08575	1.8
144.05727	2.8
145.04919	1.0
145.06532	3.4
146.07211	1.1
147.04434	2.8
149.06010	1.0
151.07573	2.0
153.05457	0.6
153.06950	0.7
155.06006	0.8
157.06497	2.8
158.07268	1.4
159.02869	0.9
159.08093	11.5
161.04465	1.3
161.05977	0.8
161.09665	3.3
163.07549	2.5
167.07048	2.2
169.06465	1.2
170.07326	2.3
171.08066	1.9
172.05226	0.5
173.06059	1.4
173.09648	2.1
174.06784	0.8
175.07539	2.2
177.05473	1.1
177.09195	0.6
178.06317	0.7
179.07077	1.8
181.08658	1.0
183.08119	0.6
185.05855	0.7
187.07570	10.3
189.09151	5.6
190.06207	1.0
191.07043	1.4
192.07881	1.0
193.08704	0.6
198.06795	0.7
199.07567	1.6
201.09145	3.7
203.07108	1.7
204.07851	4.8
205.08658	1.9
207.10240	1.0
216.07843	1.6
217.08643	1.6
219.05000	0.8
219.10185	5.2
221.11739	1.7
229.08644	0.9
231.10121	3.8
233.11769	14.6
234.08699	0.7
237.11208	0.8
249.11263	100.0
250.11548	0.7
251.12750	6.1
263.09094	0.7
267.12378	1.7
303.63544	0.5
385.16241	0.6
401.15567	0.5
497.16373	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	669.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95443	0.8
57.03433	2.1
57.07070	2.8
61.02929	4.7
67.05504	5.9
68.50572	0.8
69.03446	1.9
69.07088	1.0
71.08649	1.4
73.02914	3.3
81.03420	1.4
81.07059	2.5
83.08618	1.7
85.02909	4.5
85.10184	1.9
91.03953	3.2
91.05464	0.9
95.08611	2.7
97.02892	4.0
97.10194	0.9
101.02413	1.0
109.10167	7.0
127.03940	1.1
173.11794	2.0
178.71837	0.7
229.14311	1.7
243.08505	1.8
313.27365	1.8
413.17960	8.3
497.30777	4.9
511.75830	0.8
669.41876	100.0
670.42358	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	670.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01876	4.9
55.05514	3.8
56.96581	0.6
57.03189	0.7
57.03439	9.4
57.07066	0.9
58.57637	0.6
59.05001	1.2
61.02925	6.9
65.03949	0.5
66.03963	0.5
67.05509	5.4
69.03430	21.3
69.07069	3.5
71.01342	1.5
71.04995	3.7
71.25258	0.9
71.25594	0.9
73.02920	11.7
73.99490	0.6
79.05491	2.3
81.03419	8.3
81.07063	9.2
82.64570	0.5
83.01350	0.7
83.04992	1.2
83.08626	3.8
83.26333	0.5
85.02905	100.0
86.03242	0.8
87.04476	2.8
88.21291	0.5
91.03965	4.8
91.05478	2.9
93.07063	3.2
95.04990	2.8
95.08603	10.1
97.02893	34.9
97.06535	0.9
97.10180	4.3
99.03873	0.7
99.04442	4.3
101.02397	1.2
103.03949	1.7
105.04551	0.6
105.07031	4.8
107.04971	1.3
107.08578	2.9
108.08933	0.7
109.02882	9.8
109.06561	0.8
109.10159	10.8
111.04455	0.9
111.08114	1.0
115.03930	9.8
115.11220	1.3
117.07056	1.1
119.08588	3.8
121.10175	2.4
123.08132	1.0
123.11700	12.3
125.09649	1.1
127.02963	1.5
127.03918	26.5
131.04906	0.8
131.08646	0.7
133.04965	9.8
133.10187	3.4
135.08051	0.7
135.11717	1.9
137.05977	1.2
137.09622	1.4
137.13217	2.9
139.03903	1.2
139.07437	0.6
143.08589	0.9
145.04962	58.7
145.10143	1.6
147.04440	1.0
147.08069	1.6
147.11722	1.8
149.09599	1.0
151.03964	0.7
151.11198	0.9
157.10162	1.1
159.08015	0.6
159.11742	1.3
161.09584	3.7
163.03946	1.0
163.06017	25.3
163.07405	1.3
163.11238	1.1
165.09180	1.1
167.07095	0.7
173.09666	0.7
173.13245	0.7
175.07607	0.7
179.10693	2.1
179.17961	7.6
189.09171	0.8
189.16393	1.3
193.05104	0.7
193.12292	0.8
197.19028	23.1
207.10130	1.4
211.47987	0.6
217.07047	0.7
223.06026	1.4
225.11046	1.0
229.14429	1.0
235.17090	0.6
241.07028	3.0
244.93742	0.5
259.08145	5.2
267.09229	1.0
271.08145	1.0
277.09229	1.6
285.09991	0.7
289.09198	2.8
292.22757	3.9
295.10217	5.5
303.05011	9.0
303.08319	0.8
304.59650	0.6
325.11316	13.7
330.59531	0.7
451.04547	0.7
459.27368	0.8
552.83203	0.7
670.35229	1.2
671.34991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01873	0.8
55.05519	1.1
55.85990	0.2
56.96570	0.3
57.03434	0.7
65.03942	0.5
67.05506	1.6
68.99805	0.6
69.03432	3.5
69.03774	0.4
69.07058	0.6
71.04992	3.4
73.02908	0.3
77.03931	0.5
79.05499	2.3
80.33974	0.2
81.03424	2.8
81.07064	1.7
83.04980	0.6
83.08646	0.3
85.02905	1.7
85.06548	0.4
89.02891	0.2
91.05484	5.9
93.03391	0.3
93.07039	3.2
95.04973	1.0
95.08613	2.2
97.02909	2.2
97.06516	0.2
98.21584	0.4
99.04457	8.7
103.05473	0.7
105.07033	36.7
106.07363	0.4
107.04974	0.5
107.08605	2.2
109.02868	1.7
109.06548	0.9
109.10139	1.3
111.00801	0.9
111.04462	0.4
115.05438	0.3
117.06995	0.7
119.04955	0.6
119.08582	5.2
121.02881	1.1
121.06520	2.0
121.10146	1.0
123.04414	1.3
123.08070	2.7
123.11729	0.7
127.03924	2.5
128.06200	0.8
129.07008	0.5
130.07820	0.4
131.04890	0.4
131.08554	1.8
133.06490	3.5
133.10133	27.5
134.10535	0.2
135.04428	0.3
135.08064	0.4
135.11684	0.9
137.02347	3.3
137.05989	0.8
137.09621	0.6
143.08560	1.6
143.10645	0.4
145.05042	0.3
145.06468	0.5
145.10112	2.2
146.07281	1.1
147.04430	0.5
147.08075	1.0
147.11667	0.3
149.02272	0.3
149.06026	0.4
149.09558	0.3
149.13193	0.2
151.03879	0.4
151.07552	3.3
151.11186	0.9
153.01833	4.0
157.10081	0.3
159.08052	0.3
159.11691	0.4
161.09625	28.7
162.10091	0.2
163.03954	0.6
163.11180	10.1
165.01857	2.4
165.09135	0.9
166.02629	0.4
167.08522	0.3
171.08064	0.5
173.06009	0.6
173.09602	0.3
173.13232	0.3
177.09109	0.4
179.10681	16.0
183.02899	0.6
187.07562	0.2
189.07390	0.4
189.09113	8.7
190.09502	0.3
191.03430	0.3
191.07045	0.3
191.10474	0.2
193.08662	0.3
193.12297	0.3
195.02910	0.3
199.11153	0.3
201.05435	2.0
207.10176	6.4
207.12056	0.4
213.05392	0.2
217.08733	0.3
219.13840	0.2
221.11792	0.3
225.11238	0.3
227.12784	0.3
229.04953	4.1
229.06987	0.3
229.08817	0.3
229.14316	0.4
247.06152	0.7
249.11229	0.6
257.04419	2.5
257.11697	0.5
261.15356	0.2
269.11874	0.5
274.04730	0.6
285.03903	1.4
285.06589	0.2
287.12817	0.7
297.10938	0.2
303.04996	100.0
304.05353	1.2
305.13867	0.7
315.04980	0.4
315.12473	0.5
323.14874	3.7
333.13245	1.3
339.15805	0.2
345.06024	0.9
351.14288	5.1
357.17032	1.0
369.06296	0.4
369.15466	4.0
411.07275	0.5
509.34644	0.3
573.24091	0.3
671.34717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01878	0.8
55.05502	2.1
57.03433	1.0
61.02946	0.3
65.03938	0.9
67.05500	2.5
68.99792	0.4
69.03436	4.2
69.07066	1.1
69.87695	0.6
69.88087	0.8
71.04993	4.9
73.02926	0.6
79.05499	3.5
81.03415	4.8
81.07060	3.2
83.04993	1.3
83.08619	1.1
85.02907	2.5
85.06553	0.7
91.04900	0.3
91.05482	6.8
93.03426	0.4
93.07044	4.8
95.04962	1.8
95.08602	3.4
97.02917	2.8
97.06519	0.6
97.10168	0.9
99.04459	12.8
99.05110	0.6
103.05477	0.8
105.07031	39.1
107.04948	1.5
107.08588	3.9
109.02893	2.0
109.06525	1.8
109.10171	2.1
111.00829	0.7
111.04433	0.5
111.08083	0.5
115.05428	0.7
117.07036	1.3
119.04964	0.7
119.08583	4.7
121.02871	1.4
121.06504	2.9
121.10140	1.6
123.04435	1.0
123.08073	3.3
123.11701	1.2
125.09644	1.0
127.03924	2.7
127.07571	0.3
128.06256	1.3
129.07028	0.6
130.07753	0.6
131.04958	0.7
131.08568	2.2
133.06497	4.1
133.10133	26.4
135.08047	0.7
135.11711	1.2
137.02344	2.9
137.06000	1.4
137.09612	0.6
139.42822	0.3
142.07869	0.3
143.08563	2.6
143.10677	0.4
145.04942	0.5
145.06506	0.9
145.10124	2.8
146.07251	1.5
147.04407	1.2
147.08061	1.1
147.11736	0.9
149.02371	0.3
149.09639	0.7
151.03911	0.7
151.07550	2.6
151.11169	1.6
153.01839	3.5
153.09070	0.4
157.06496	0.3
157.10170	0.5
159.08128	0.7
159.11693	0.5
161.05991	0.8
161.09622	32.0
163.03987	0.5
163.07555	0.4
163.11189	11.0
163.12546	0.6
165.01839	2.2
165.09093	1.0
166.02539	0.4
167.06990	0.3
171.08034	0.6
171.11674	0.3
173.05986	0.5
173.09663	0.7
173.13245	0.4
174.06790	0.6
175.11134	0.5
175.14815	0.5
179.10675	17.1
183.02956	0.6
185.09627	0.4
187.03903	0.6
189.05620	0.3
189.09106	7.4
191.07040	0.4
193.12289	0.4
201.05519	1.4
205.04924	0.5
207.10159	5.5
211.13327	0.4
215.10663	0.3
223.11133	0.3
225.11252	0.6
227.12737	0.5
229.04974	4.6
247.06140	0.5
257.04456	2.7
267.15897	0.4
274.04794	0.8
285.04071	1.3
296.20505	0.3
303.04993	100.0
304.05331	0.8
305.13800	0.8
323.14987	1.7
333.13455	1.0
345.06122	0.6
350.66245	0.3
351.14346	4.0
367.22641	0.5
369.15457	2.7
383.24063	0.3
385.23517	0.8
391.71890	0.3
403.24643	0.3
459.27332	2.3
477.28342	1.9
671.35272	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	671.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.01863	7.1
55.05273	2.4
55.05511	33.4
57.03430	9.4
57.07058	2.3
58.45691	1.6
62.01388	1.7
65.03952	2.9
66.73740	2.0
67.05505	32.5
69.03436	12.4
69.07063	10.8
69.32287	5.0
69.32712	8.5
71.04972	8.2
73.02917	3.3
79.05066	2.9
79.05497	38.6
81.03419	58.3
81.07057	30.4
83.04989	16.6
83.08620	25.2
85.02911	12.0
85.06538	4.1
91.05484	30.2
93.07039	28.8
95.04962	24.3
95.08604	17.9
96.37525	1.7
97.02885	11.1
97.03417	1.9
97.06526	6.2
97.10168	23.9
98.20787	4.1
99.04440	3.4
99.99964	1.9
103.49188	1.9
105.07039	21.1
107.04960	20.9
107.08604	22.0
109.02864	6.4
109.06529	12.3
109.10179	9.3
109.10812	2.1
111.04444	5.2
111.08072	7.9
115.04086	1.6
115.05463	1.8
117.07036	10.5
119.04919	2.0
119.08568	18.8
120.15594	2.0
121.06493	16.4
121.10138	17.4
123.04432	5.9
123.08080	5.5
123.11731	2.1
125.09628	23.2
127.03893	4.3
127.07573	2.1
129.05449	4.5
129.06973	10.8
131.04930	5.9
131.08542	15.7
133.06488	5.4
133.10158	11.6
135.04330	2.2
135.08041	9.3
135.11694	5.5
137.05942	2.2
137.09561	2.2
139.11163	2.7
141.06967	2.3
143.08571	6.2
145.06471	8.2
145.10129	11.7
147.04405	4.3
147.08038	6.1
147.11681	11.6
149.09644	8.5
151.03880	2.6
151.07613	2.5
153.09071	2.9
155.08479	3.2
157.06497	3.2
157.10121	6.1
159.08011	3.6
159.11691	3.3
161.05949	2.6
161.09677	4.7
163.11189	8.2
165.05495	2.0
165.09189	2.7
165.12746	2.7
167.07077	2.5
167.10641	2.3
169.10143	1.9
171.08012	3.9
171.10263	2.9
171.11691	4.5
173.04474	3.2
173.09642	2.3
173.13290	2.6
175.11188	5.7
175.14801	1.9
177.12692	2.2
183.11710	2.1
187.11163	3.2
187.14822	2.5
189.11230	6.9
189.12790	3.0
191.14333	3.4
193.12267	17.9
195.11804	2.4
197.13190	2.7
199.11232	2.6
205.15797	2.8
211.13243	13.1
213.12912	2.7
215.14336	4.7
219.13770	4.8
223.13319	2.5
225.14819	2.6
227.12665	12.2
229.14250	2.2
231.13750	2.4
233.15318	7.6
241.14362	1.8
249.14804	3.4
267.09167	2.2
267.15964	24.8
273.14841	6.7
285.16983	3.6
287.16476	1.8
293.17395	2.6
301.14136	2.6
303.04922	2.8
309.16806	2.1
339.23312	5.3
349.21634	6.5
357.24350	3.0
367.22635	18.4
385.23737	35.6
397.22327	1.8
403.24713	12.8
431.27847	2.1
441.26630	8.5
459.27417	93.9
460.27963	2.2
477.28473	100.0
491.30173	14.8
501.28629	3.4
509.31027	13.6
513.28552	2.1
621.32446	6.6
653.35358	3.9
671.30634	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	671.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.4
53.03952	13.6
55.01886	10.0
55.05517	43.8
57.03449	16.0
57.07060	3.2
60.24995	1.8
60.85380	2.7
65.03941	7.9
67.05513	100.0
69.03437	16.4
69.07076	32.2
69.76797	4.4
69.77187	6.6
71.05022	10.1
73.02922	2.3
79.05503	84.2
81.03429	89.3
81.07068	92.8
83.04984	16.5
83.08620	25.2
85.02901	11.4
85.06564	2.5
91.05491	83.7
93.07050	72.5
95.04983	45.7
95.08616	58.6
97.02901	15.4
97.06552	8.2
97.10179	12.0
99.04460	4.4
99.08121	3.3
103.05460	2.7
105.04552	4.0
105.07047	63.1
107.04974	17.0
107.08602	40.7
109.02883	19.1
109.06523	14.4
109.10166	24.7
111.04459	8.2
111.08108	7.4
115.05486	5.9
117.07044	22.6
119.04945	6.6
119.08595	49.9
121.06531	15.7
121.10146	32.5
121.10924	2.8
123.04434	4.0
123.08082	5.6
123.11707	9.2
125.02396	5.7
125.09665	7.7
127.03940	5.8
128.06241	5.9
129.07027	29.2
130.54530	2.2
131.04930	7.3
131.08583	37.5
133.06516	11.2
133.10164	26.2
135.04480	2.3
135.08081	8.5
135.11742	14.3
137.06032	4.6
137.09674	4.2
141.07016	8.7
142.07835	6.3
143.08592	16.9
145.06569	12.9
145.10130	23.5
147.04466	5.0
147.08069	9.3
147.11722	25.9
149.05989	5.3
149.09613	7.3
149.13290	6.7
151.11133	2.1
153.07079	3.1
155.08588	9.2
157.06505	3.4
157.10162	22.6
159.08080	5.6
159.11746	14.4
161.05978	5.1
161.09686	5.3
161.13272	7.7
162.59789	2.0
163.07552	3.3
163.11227	7.0
163.14845	4.6
165.06958	2.6
165.12791	5.8
167.08592	6.6
169.10123	12.5
171.08090	5.9
171.11736	9.5
173.06000	3.9
173.09686	4.7
173.13329	7.9
175.07620	2.8
175.11230	12.7
175.14839	3.4
177.12743	2.7
179.08551	2.7
181.10170	5.5
183.08083	4.4
183.11737	8.1
185.09669	6.4
185.13306	8.9
187.07472	3.6
187.11230	4.7
187.14877	6.1
189.05466	3.6
189.11194	3.7
189.12714	4.4
193.12239	22.0
195.08223	2.6
195.11736	8.0
197.13367	6.6
199.11275	3.6
199.14891	4.3
201.12701	3.0
209.13281	6.5
211.11461	4.4
211.13367	14.3
213.12891	3.4
215.10757	2.3
219.11957	2.8
227.12637	3.5
227.14616	2.9
231.14030	2.2
233.13412	3.0
233.15608	2.1
237.12798	3.0
239.14386	4.1
241.12260	2.3
243.13942	2.9
243.21196	3.4
255.13823	3.7
259.20746	2.1
261.15018	2.4
261.22214	13.9
267.15939	39.6
273.14957	7.8
285.17023	4.7
289.14365	2.2
301.14404	12.0
301.25189	2.6
303.16061	3.9
317.25006	3.0
319.15573	10.7
333.24588	3.7
335.25839	60.0
341.24997	4.3
351.23456	6.3
353.24744	3.3
369.24152	16.0
375.18060	4.3
387.25372	4.3
393.19318	7.8
443.28067	7.5
453.33868	3.5
461.29080	4.2
471.34177	3.3
525.33820	2.2
527.37366	23.1
530.39282	20.8
545.38544	15.7
561.36053	3.4
579.36530	3.3
617.38416	3.9
623.39423	4.7
625.41101	2.5
635.39435	13.0
641.40112	3.2
653.40515	33.4
671.41614	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	672.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03950	3.0
55.01851	1.4
55.05510	6.8
57.03440	4.7
57.07056	0.5
58.08193	0.5
59.05001	0.5
60.61036	0.4
61.02914	0.8
65.03931	1.4
67.05508	24.6
69.03416	0.7
69.07075	7.4
71.04981	1.3
71.53565	0.6
72.79205	0.5
73.02941	0.5
73.06544	0.6
77.03931	0.6
79.05016	0.6
79.05492	26.5
81.03418	4.5
81.07059	29.5
83.04974	4.6
83.08620	5.8
85.02888	1.3
85.06544	2.0
87.13995	0.5
91.03967	0.5
91.05484	19.2
93.07045	33.1
94.34429	0.5
95.04959	6.4
95.08607	12.0
97.02907	1.2
97.06528	4.4
97.10160	2.0
99.08067	1.0
101.06028	0.5
105.04502	1.2
105.07029	12.3
107.04958	2.3
107.08592	11.2
109.06525	2.0
109.10172	1.9
111.08081	2.6
113.09678	0.8
115.05438	0.7
115.86291	0.5
117.07010	4.9
119.08576	7.4
121.06507	1.0
121.10156	6.1
123.08061	1.9
125.09657	0.7
127.04040	0.5
127.07561	0.8
128.06227	0.5
129.07014	5.2
131.08574	2.7
133.06403	0.5
133.10127	4.9
135.08076	0.7
135.11687	2.2
136.05264	0.5
143.08548	3.0
145.10104	3.5
147.08043	1.3
147.11691	11.4
149.13254	9.0
159.11720	3.4
161.09634	1.3
161.13295	3.6
171.11696	6.8
177.12784	1.7
189.12730	3.5
195.13803	2.3
206.67494	0.5
207.13823	8.4
267.15787	0.6
269.17487	23.6
281.17484	21.1
283.15356	1.2
314.85419	0.5
318.68958	0.5
329.00922	0.5
387.39438	0.6
406.10904	0.5
457.29535	0.8
475.30600	100.0
476.30698	2.3
510.68204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.9
57.03453	3.7
57.07084	34.2
61.02652	0.9
61.02935	13.4
67.05514	10.1
69.03430	2.2
69.07080	6.6
69.92811	2.7
70.39568	0.6
71.08640	28.0
73.02932	3.4
75.04483	1.8
79.05479	1.6
81.03415	0.9
81.07067	14.7
83.08626	10.2
85.02918	13.7
85.06532	0.9
85.10191	16.5
89.06040	1.0
91.03969	11.6
91.05489	1.1
93.07058	1.5
95.08617	22.4
97.02911	7.5
97.06522	0.7
97.10154	6.1
98.20847	1.4
99.04475	0.8
99.11752	0.9
103.07540	1.0
105.88157	0.7
109.10169	10.7
111.11748	1.3
113.13297	0.8
114.80609	0.6
115.03927	0.8
119.78448	0.7
121.10158	0.9
123.11717	5.0
125.13297	0.7
127.03903	4.6
131.64703	0.6
133.10127	0.7
137.13222	1.6
145.04959	6.1
147.04433	1.3
151.14815	1.2
163.06039	10.5
165.16461	0.7
182.38731	0.7
203.84256	0.7
221.22644	1.1
230.31937	0.6
239.23714	21.7
257.24738	4.4
313.27399	100.0
314.27731	2.3
331.28455	40.0
332.29099	1.0
475.32779	3.6
486.45276	0.9
601.41498	0.9
606.10681	0.7
672.42010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48918	0.7
53.03941	1.7
53.33129	0.6
55.01881	1.1
55.05520	7.0
57.03446	4.8
57.07082	42.1
61.02933	17.1
67.05181	0.9
67.05512	14.9
69.03432	3.5
69.07076	9.5
71.01362	0.8
71.04987	1.1
71.08641	33.4
73.02934	4.5
75.04483	1.9
79.05500	4.9
80.05836	0.8
80.12852	0.7
81.03436	5.2
81.07069	22.0
83.04974	1.0
83.08155	1.1
83.08627	15.2
85.02443	1.1
85.02917	20.0
85.06573	1.4
85.10188	20.5
87.04503	0.8
89.06034	0.9
91.03968	16.1
91.05479	3.9
92.05827	0.8
93.07057	5.1
95.04986	3.9
95.08617	29.9
96.05280	1.1
97.02905	9.3
97.06551	1.1
97.09752	0.6
97.10188	7.0
99.04443	1.6
99.11768	1.7
105.07047	3.8
106.17826	0.7
107.04944	1.2
107.08593	2.6
109.02893	1.3
109.06488	0.9
109.10172	15.4
110.10495	0.8
111.11753	1.9
117.06993	2.0
119.08595	2.4
121.10137	2.3
123.11722	6.2
125.09660	0.7
125.13316	0.9
127.03922	6.6
129.07050	1.3
131.08546	1.0
133.10133	2.5
135.11722	0.9
137.13260	2.1
145.04985	8.5
145.10132	1.9
147.04401	0.7
147.11687	1.3
149.05984	0.9
151.14851	1.1
157.10165	0.9
159.08009	1.0
159.11766	0.9
163.06033	13.6
165.16483	0.8
169.10123	1.1
169.70258	0.7
202.63043	0.7
215.19658	0.8
221.22630	1.1
239.23743	21.5
257.24826	4.0
267.15891	1.3
268.16660	0.8
313.27399	100.0
314.27704	2.4
319.15439	1.0
331.28458	47.4
332.29001	1.1
335.25775	1.3
336.26172	1.1
393.19116	0.9
493.31552	0.8
636.39264	1.5
654.40656	2.8
672.41870	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	673.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51416	1.0
53.03939	6.6
55.01868	6.8
55.05513	15.5
57.03440	20.3
57.07058	1.6
59.04991	2.9
60.80420	1.0
61.02936	2.0
65.03944	2.3
67.05508	59.8
69.03434	19.8
69.07072	6.4
69.33127	9.4
70.43880	1.0
71.01337	1.7
71.04997	7.0
73.02920	22.4
79.05495	30.7
81.03423	59.4
81.07053	24.6
83.04984	19.8
83.08627	21.7
85.02909	38.9
85.06550	2.3
87.04465	1.5
91.05484	22.6
93.07037	14.2
95.04972	22.2
95.08612	11.2
97.02888	20.7
97.06525	3.7
97.10174	7.6
99.04446	4.8
99.08083	1.3
101.02388	3.5
103.03947	1.8
105.07043	15.8
107.04962	18.0
107.08600	8.6
108.70533	1.1
109.02867	6.9
109.06512	2.6
109.10159	49.1
111.04453	9.8
111.08077	9.8
115.03906	2.7
116.04767	2.5
117.07021	3.1
117.42553	0.9
119.01897	1.2
119.08583	14.5
121.10134	7.0
123.04441	3.3
123.08092	1.8
123.11655	1.9
125.05972	1.4
125.09634	3.9
127.03928	7.9
129.05489	7.1
129.06987	6.8
131.03415	4.9
131.08580	8.7
133.06459	2.8
133.10139	7.3
135.04420	9.5
135.08000	1.2
135.11691	2.7
137.09619	3.5
137.93704	1.0
139.03864	2.1
142.07803	3.1
143.07030	1.6
145.04948	2.5
145.10120	2.1
147.08025	3.0
147.11693	10.2
149.09601	4.2
153.05469	4.9
155.08598	1.1
155.10699	6.6
157.08754	2.0
157.10126	9.4
163.03935	2.3
163.11185	4.8
165.12778	2.1
171.06514	1.6
173.04445	2.2
173.09665	1.3
173.11752	10.8
175.11183	13.0
181.04947	2.1
185.11670	1.4
189.11203	1.4
193.12244	29.7
199.05966	2.7
199.13339	1.8
209.11728	2.8
211.13301	48.9
217.07085	7.5
218.66040	1.1
227.12804	4.1
229.14362	45.5
263.06055	1.5
267.15961	14.3
283.15433	4.5
285.16992	28.1
301.16379	4.9
413.17831	1.9
421.25888	14.7
429.21069	2.0
439.26929	100.0
440.27396	2.8
475.26553	2.3
493.28171	6.0
511.29132	2.5
655.32709	3.9
673.16144	2.8
673.33868	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	674.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
54.03885	0.4
55.01878	3.3
55.05272	0.5
55.05517	9.9
56.21320	0.4
57.03186	0.8
57.03439	8.7
57.07067	1.0
59.04992	1.2
61.02923	2.4
64.19879	0.5
65.03927	1.2
66.85107	0.4
67.05511	24.3
69.03420	0.9
69.07073	9.1
69.71732	0.8
69.72136	2.5
71.01359	0.6
71.04999	3.0
73.02930	1.3
79.05496	18.9
81.03421	6.6
81.07063	34.8
83.01345	3.9
83.04988	7.2
83.08629	11.1
85.02914	4.8
85.03732	0.5
85.06547	2.1
87.02290	0.4
91.03976	1.2
91.05487	11.2
93.03354	0.5
93.07051	32.2
95.04979	5.0
95.08616	10.7
95.14542	0.5
97.02892	2.8
97.06541	6.1
97.10162	1.2
99.04449	1.2
99.08089	0.9
105.07034	5.8
107.04968	4.0
107.08608	16.4
109.06549	3.9
109.10177	2.4
111.04445	0.8
111.08099	3.5
117.07029	6.3
119.08597	4.5
121.06509	2.8
121.10156	10.0
123.08089	4.4
123.11716	1.1
125.06001	1.3
125.09697	0.7
127.03929	0.6
129.07007	1.1
130.07837	0.7
131.08572	4.9
133.10149	4.3
135.08066	1.5
135.11690	9.2
139.11212	0.9
143.08563	0.5
145.06566	0.6
145.10150	7.3
147.08047	1.3
147.11699	1.1
149.02380	2.5
149.09633	0.8
149.13255	11.4
151.11145	0.5
153.09120	0.5
153.12631	0.8
155.08571	0.8
159.11717	5.6
163.11189	12.6
173.09634	1.5
177.12816	2.3
181.12253	1.5
191.10733	1.0
193.05013	2.1
195.13873	4.8
209.11804	2.9
213.14917	0.7
227.12831	1.6
228.23233	1.2
265.14441	0.8
267.15897	0.6
269.17505	50.1
270.17798	0.7
283.15414	40.3
459.27405	3.1
477.28522	100.0
478.28754	2.9
674.35175	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
55.05268	0.7
55.05514	10.1
57.03186	0.9
57.03441	9.8
57.07085	1.1
58.51538	0.5
59.04987	0.5
61.02930	4.3
65.03935	1.2
67.05509	20.0
69.03448	2.5
69.07072	5.8
70.13786	1.0
70.14136	1.6
71.01332	0.6
71.04987	2.3
71.23767	0.5
73.02917	0.8
73.20921	0.5
79.05499	17.6
81.03425	33.8
81.07063	27.7
83.01350	2.5
83.04991	9.3
83.08626	14.8
85.02911	6.8
85.06555	1.3
85.99451	0.5
89.04591	0.5
91.03958	2.2
91.05488	16.4
93.06475	1.2
93.07051	20.6
95.04967	11.7
95.08617	9.4
97.02894	3.7
97.06528	4.2
97.10179	2.2
99.04459	1.0
99.08106	0.5
103.05418	0.6
105.04517	0.6
105.06387	0.9
105.07037	9.8
107.04955	5.7
107.08602	12.5
109.02963	0.5
109.06527	4.6
109.10172	2.3
111.04420	1.6
111.08089	5.7
113.06031	0.7
117.07031	5.6
119.04915	0.6
119.08588	9.5
119.52105	0.5
121.06542	3.6
121.10155	7.5
123.08076	4.0
123.11715	1.5
125.05979	1.3
125.09625	1.5
127.03925	0.7
129.07005	4.9
130.07767	1.0
131.04958	0.8
131.08583	7.2
133.06517	1.4
133.10147	7.3
135.08105	1.9
135.11696	7.2
137.09605	1.0
142.07750	0.9
143.08549	1.4
145.05009	0.7
145.06494	1.7
145.10143	6.8
147.08072	1.6
147.11716	5.1
149.02350	0.9
149.09599	2.9
149.13249	5.2
151.11197	0.6
153.12776	1.1
155.08530	0.8
157.10153	5.5
159.11729	2.2
163.11194	8.7
165.12784	0.9
173.09608	1.5
175.11169	4.2
177.12769	0.9
181.12224	1.3
189.06880	0.6
189.11307	0.6
191.10649	1.1
193.12250	12.1
195.13814	3.8
198.04907	0.5
209.11674	2.9
211.13339	5.8
227.12888	1.6
248.74362	0.5
251.16505	0.7
267.15939	45.0
268.16153	0.6
269.17505	25.1
273.14807	1.2
277.25330	0.5
283.15414	41.3
284.15829	0.8
285.16943	8.1
322.32843	0.5
349.21515	1.2
367.22662	4.3
385.23782	3.0
403.25003	1.1
433.25790	3.9
441.26334	1.8
459.27441	24.7
477.28513	100.0
478.28662	2.6
519.29541	0.9
621.31702	0.6
674.36401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89064	1.2
53.03943	7.2
55.01866	5.0
55.05516	20.1
57.03445	11.9
59.05009	1.6
61.02922	2.1
65.03938	3.4
67.05179	2.1
67.05509	26.9
69.03430	14.9
69.07069	11.8
71.05000	7.5
71.54918	1.9
73.02930	1.9
79.05067	1.7
79.05497	30.0
81.03423	100.0
81.07062	38.0
83.04989	24.8
83.08150	1.6
83.08627	29.3
85.02914	26.7
85.06536	2.0
91.05481	35.1
93.07044	23.2
95.04975	31.9
95.08607	12.6
97.02905	18.3
97.06512	5.9
97.10159	6.4
99.04454	4.7
99.08090	1.5
105.07033	30.6
107.04967	9.6
107.08598	12.6
109.02858	7.5
109.06545	7.1
109.10153	5.6
111.04432	7.8
111.08089	14.8
113.05983	2.7
115.05457	4.0
117.07000	3.7
119.04937	2.0
119.07795	2.3
119.08592	26.7
121.06496	4.1
121.10131	12.7
123.04460	1.8
123.08068	4.5
123.11701	3.8
125.09629	3.8
127.03930	8.4
127.07528	1.5
129.05533	2.5
129.07019	15.0
131.08582	15.5
133.06474	3.6
133.10152	15.9
135.11702	2.4
137.09590	3.4
142.07780	3.0
145.06467	2.5
145.10121	4.1
147.08035	4.6
147.11691	22.6
149.05972	1.6
149.09619	9.6
153.12750	2.7
157.10136	20.4
163.11189	4.4
165.09116	1.8
165.12787	5.5
173.04504	2.5
175.11211	19.4
191.10703	1.9
193.12256	55.9
196.60634	1.2
211.13306	75.8
227.12706	3.0
229.14406	2.2
249.14935	1.5
267.15927	45.0
269.17499	2.1
273.14841	2.4
279.24118	1.3
283.15448	2.4
285.16977	57.6
301.14316	2.9
319.15552	2.5
337.16476	2.8
349.21405	1.8
355.17401	5.1
367.22546	1.7
375.18488	1.2
385.23761	3.6
403.24609	1.5
411.20105	5.0
423.56339	1.3
429.21152	17.7
433.25723	2.4
441.26434	2.1
459.27411	34.0
477.28482	49.1
495.29587	45.3
557.31122	2.5
578.24890	1.3
585.30170	2.5
603.31738	3.4
621.32697	11.8
639.33746	38.3
648.48407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01863	2.9
55.05510	12.5
57.03438	13.9
57.07078	1.4
58.95937	0.9
60.40404	0.8
61.02911	3.0
62.48886	0.8
65.03931	1.3
67.05507	41.2
69.03413	3.2
69.05837	0.8
69.07070	15.4
70.12401	3.8
71.05000	5.4
73.02917	1.9
79.05494	29.2
81.03419	43.0
81.07061	53.9
83.04987	11.9
83.08623	21.9
85.02905	17.1
85.06534	2.7
91.03937	2.1
91.05481	25.0
93.07047	37.7
95.04979	16.2
95.08607	16.7
97.02894	2.8
97.06542	9.3
97.10178	3.3
99.08080	1.8
105.07032	15.0
107.04955	3.7
107.08595	18.6
109.06557	4.5
109.10146	2.9
109.83426	0.9
111.04468	2.4
111.08085	8.6
113.06033	2.4
115.05430	1.1
117.07026	5.5
119.08583	12.9
121.06501	2.3
121.10151	15.2
123.08050	1.7
123.11703	2.8
125.05935	1.0
126.12178	0.9
129.07022	6.3
131.08574	10.6
131.48793	0.9
133.06519	1.4
133.10143	10.8
135.08028	1.4
135.11710	4.4
137.09592	1.1
139.11234	1.2
142.07817	1.1
147.08011	1.9
147.11694	11.5
149.09558	3.5
149.13251	17.8
157.10118	9.7
159.11737	6.5
165.12808	2.2
175.11174	8.9
175.27248	1.0
177.12723	3.5
193.12242	26.2
195.13805	7.3
211.13290	33.9
216.37202	0.9
249.14911	0.9
266.03607	0.9
267.15915	16.6
269.17480	70.7
285.16953	27.7
435.27151	1.8
443.28043	1.0
461.28958	39.6
462.29306	1.4
479.30048	100.0
480.30219	3.5
496.16913	1.7
498.17889	1.8
498.71506	0.9
556.18628	2.0
645.24976	1.1
676.26862	18.0
677.26648	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	676.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01862	1.9
55.05515	9.5
55.05763	1.2
57.03444	7.4
57.07069	0.7
61.02921	2.4
65.03946	1.1
67.05508	27.7
69.03415	2.4
69.07078	7.6
69.41862	1.2
69.42281	2.8
71.04989	3.6
79.05499	21.4
81.03422	29.8
81.07060	36.7
83.04980	8.2
83.08618	15.0
85.02429	1.2
85.02905	12.8
85.06545	1.8
91.03968	1.1
91.04903	0.7
91.05483	21.2
93.07051	23.1
95.04977	12.5
95.08609	8.9
96.89832	0.6
97.02914	3.0
97.06544	5.4
97.10170	1.9
99.04408	0.6
99.08105	1.2
105.07034	10.9
107.04978	3.0
107.08601	13.4
109.06532	2.2
109.10167	1.6
111.04422	0.8
111.08097	6.8
113.06018	1.4
115.05500	0.8
117.07021	3.6
119.08595	8.7
121.06497	2.6
121.10152	7.7
123.08085	1.0
123.11700	2.9
125.09634	0.9
127.03939	1.0
129.07024	4.7
131.08563	9.2
133.06519	1.0
133.10129	10.5
133.11107	1.0
135.11682	3.7
137.09599	1.3
142.07797	0.9
145.10147	1.0
147.08064	1.8
147.11710	7.5
149.09625	3.1
149.13260	8.6
151.11131	1.5
157.10150	7.3
159.11748	3.3
163.11154	0.8
165.12787	1.4
175.11180	6.6
177.12764	1.9
193.12245	17.2
195.13806	6.5
211.13301	26.6
212.13579	0.8
213.14882	1.0
249.14812	0.8
251.16711	0.8
267.15897	12.6
269.17487	40.0
270.17889	0.9
285.16986	30.5
310.47275	0.6
369.24197	0.6
376.04581	0.7
443.27960	2.6
461.28998	26.7
462.29318	1.0
479.30057	100.0
480.30316	2.6
497.17834	0.6
498.18289	1.7
576.23877	0.6
623.34167	1.1
676.26740	7.4
677.27045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.53823	0.4
55.01875	0.6
55.05510	2.7
56.07294	0.4
57.03434	1.5
57.07074	0.5
57.65856	0.4
61.02930	4.8
65.03950	0.4
67.05507	11.6
69.03423	2.8
69.07069	3.0
69.39976	0.5
69.40382	2.5
71.04998	1.1
73.02917	3.2
79.05499	8.1
81.03419	2.1
81.07056	14.0
81.07525	0.8
83.04964	0.8
83.08622	1.9
85.02910	5.3
85.06565	0.7
87.04538	0.4
91.03955	3.7
91.05485	5.5
93.07043	10.8
93.07632	0.6
93.49261	0.3
95.04978	1.2
95.08614	9.4
97.02897	4.9
97.06525	1.0
97.10186	0.7
99.04453	1.1
99.08099	0.5
101.02401	1.4
103.03897	0.7
105.07039	4.0
107.04996	0.8
107.08598	6.2
109.02882	0.7
109.06488	0.6
109.10155	3.7
111.08080	0.5
117.07030	1.6
119.08563	2.7
121.06491	0.5
121.10133	4.6
123.08102	0.6
123.11697	2.4
127.03931	2.2
129.07031	1.0
131.08578	2.7
133.10159	2.3
135.08090	0.5
135.11685	3.8
137.13261	0.8
143.08559	0.9
145.04982	1.2
145.10115	2.2
147.08005	0.5
147.11673	2.7
149.13260	4.2
153.12729	0.5
159.11707	2.6
159.92067	0.4
161.13261	1.9
163.06065	1.8
163.14851	1.7
170.46709	0.4
171.11749	1.1
173.13258	2.0
175.14946	0.4
177.12698	0.4
179.14429	0.5
187.14893	1.0
201.16360	0.8
207.13881	0.6
233.22618	0.5
235.13155	0.7
243.08490	2.1
243.21097	3.6
247.13107	1.7
261.22144	10.1
261.24814	0.6
269.17667	0.5
279.23212	0.8
281.17468	0.7
291.15671	0.5
335.25861	3.4
339.17313	0.6
353.26917	4.4
394.88327	0.4
452.52499	0.5
453.20905	7.1
465.20963	5.9
479.30411	0.5
489.68585	0.4
497.31329	0.6
515.29803	0.5
610.56104	0.4
677.35046	100.0
678.35254	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.05516	16.4
56.85937	1.8
57.03434	6.9
57.07073	4.6
61.02689	1.9
61.02937	20.5
65.03936	4.6
67.05511	93.7
69.03438	5.9
69.07080	13.4
70.61522	6.2
71.04984	4.1
73.02925	8.9
79.05500	50.5
81.03429	6.9
81.07065	99.6
83.04980	2.1
83.08641	13.7
85.02911	26.6
85.06562	4.8
85.50134	1.8
91.03967	22.0
91.05491	27.6
93.07053	67.3
95.04942	3.3
95.08618	78.7
97.02909	14.5
97.06530	5.8
97.10191	4.5
99.08076	5.4
105.07039	20.3
107.08596	38.2
109.02921	3.1
109.06519	3.1
109.10165	48.5
117.07018	11.5
119.08584	19.3
121.10141	34.6
123.08058	2.9
123.11713	19.9
125.09640	2.6
127.03914	5.4
131.08575	24.0
132.51076	2.0
133.10173	18.8
135.11699	32.4
137.09633	3.8
137.13264	7.4
141.60263	2.3
145.04942	10.6
145.10130	18.7
147.11688	15.8
149.13264	26.5
151.11171	3.6
151.14856	3.0
159.11690	19.2
161.13264	16.6
163.06036	13.8
163.11221	2.7
163.14857	18.9
165.12825	2.0
173.13260	19.0
175.14879	4.1
177.12764	2.0
177.16385	5.6
179.14371	3.4
187.14854	10.6
193.12315	2.1
201.16438	4.8
205.15892	3.0
219.17442	2.5
233.22672	4.5
243.21114	38.8
259.81693	2.2
261.22174	100.0
279.23178	5.2
335.25812	38.5
353.26901	45.5
451.19501	2.7
467.18536	3.3
497.31076	8.3
677.31616	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19894	0.1
55.05510	0.2
56.05036	0.6
56.96547	0.1
57.03434	0.1
58.06623	0.5
59.07378	0.2
60.08166	6.6
67.05489	0.2
69.07037	0.1
69.19507	1.0
70.06598	0.1
71.07374	3.5
79.05477	0.3
81.03410	0.3
81.07059	0.3
82.61366	0.1
83.04978	0.2
83.14646	0.1
85.02900	0.3
86.09707	31.7
87.10007	0.1
87.64921	0.1
91.05477	0.5
93.07047	0.2
95.04945	0.3
95.08621	0.3
97.06520	0.1
98.20692	0.2
98.98460	3.2
104.10739	2.4
105.07022	0.3
109.10164	0.1
119.08569	0.2
121.10155	0.2
125.00006	21.3
125.09669	0.1
131.32074	0.1
133.10146	0.3
135.70874	0.1
137.09665	0.1
137.22313	0.1
157.10033	0.1
161.09637	0.1
166.02696	0.1
167.07001	0.2
184.07341	100.0
185.07690	0.5
193.12225	0.1
267.67130	0.1
271.15564	0.1
338.96262	0.1
450.22549	0.1
468.23526	0.3
499.28000	0.1
579.31927	0.1
660.35052	0.3
678.36157	13.5
679.36212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01875	3.4
55.05266	0.5
55.05511	6.1
57.03183	0.7
57.03440	7.0
57.07060	0.4
61.02913	2.1
65.03925	0.9
65.48689	0.5
67.05505	21.5
69.03438	3.4
69.07074	6.7
71.05000	3.9
71.54725	0.6
73.02913	0.9
79.05495	14.2
81.03421	24.2
81.07057	25.4
83.04977	7.9
83.08621	8.5
85.02908	9.2
85.06541	3.4
85.24471	0.5
86.09706	0.7
91.03958	1.2
91.05484	25.1
93.07050	12.7
95.04965	10.8
95.08612	5.5
97.02905	3.0
97.06499	2.4
97.10160	1.6
99.04466	2.3
99.08086	0.7
101.05945	0.7
103.05473	0.6
105.07031	20.7
106.53399	0.5
107.04949	2.1
107.08599	19.5
109.06533	3.9
109.10161	31.1
111.04436	1.3
111.08086	3.6
113.06028	2.7
115.05441	0.7
115.07553	0.8
117.07006	1.1
119.08597	7.6
121.06470	0.7
121.10159	2.8
123.08060	1.7
123.11716	5.9
124.99993	0.6
125.09614	0.8
126.69337	0.5
127.03916	0.9
127.07516	2.2
129.07002	4.3
131.08560	5.1
133.06470	1.2
133.10135	43.7
134.10486	0.6
135.08023	0.9
135.11725	1.2
137.09615	0.9
139.11237	0.6
142.07806	1.1
143.08510	1.0
145.10110	1.7
147.08069	1.6
147.11678	5.2
149.09608	2.0
151.11185	20.2
157.10161	5.1
157.76743	0.6
161.09645	1.3
163.11165	1.0
165.12750	1.5
169.12273	2.7
175.11194	4.6
179.10622	1.0
184.07321	3.2
193.12251	17.2
211.13297	34.2
215.12788	1.2
229.14394	0.7
253.14357	100.0
254.14774	1.3
267.15921	7.9
271.15405	22.5
272.15521	0.5
283.15369	0.6
285.16977	21.6
286.17303	0.6
389.23053	0.6
445.20529	0.8
445.25925	6.7
463.26910	17.0
463.61279	0.6
481.27985	58.1
482.28082	1.2
679.33124	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	678.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01872	12.1
55.05269	1.5
55.05511	20.0
57.03439	21.8
57.07061	2.9
58.91454	1.0
59.51847	1.0
61.02930	4.6
65.03932	2.2
65.05081	1.1
67.05505	50.3
69.03430	6.5
69.06741	1.0
69.07071	16.5
70.10393	3.6
71.01360	4.7
71.05006	6.0
71.42107	1.1
73.02898	3.8
79.05495	49.7
79.05962	2.4
80.05789	1.5
81.02990	1.7
81.03422	19.8
81.07063	29.2
82.04191	4.5
83.04984	18.4
83.08626	9.9
84.02093	1.2
85.02907	6.2
85.06532	3.7
86.09690	3.6
91.03942	2.4
91.05487	28.1
93.07047	46.6
95.04974	15.8
95.08605	13.6
97.02895	6.3
97.06545	14.0
97.10169	16.1
98.07302	4.5
98.21368	1.2
99.04446	1.6
99.08089	2.6
103.91832	0.9
105.04550	1.5
105.07040	11.1
107.04939	6.3
107.08601	33.7
108.09428	1.3
109.06504	3.0
109.10151	12.8
111.04437	2.5
111.08105	6.3
116.04746	6.3
117.07007	8.0
119.08589	11.1
121.06493	2.7
121.10138	9.5
123.08045	4.4
123.11721	1.6
125.00023	2.0
125.09642	11.9
127.03912	1.0
127.11257	1.2
129.05476	20.0
129.06990	3.5
131.07683	1.1
131.08537	5.7
133.06520	1.4
133.10141	9.2
133.54486	0.9
134.18552	1.0
135.08040	3.8
135.11694	55.5
136.08737	1.2
137.09595	3.4
139.11147	1.0
143.06995	5.2
143.08473	1.1
145.10130	13.0
147.11682	4.4
149.09624	2.9
151.11185	1.0
153.09131	2.3
153.12727	5.8
157.08597	8.0
157.10086	3.5
159.11700	1.3
163.11180	11.3
171.06488	2.9
171.10164	3.2
173.09612	2.1
173.11774	2.3
175.11142	1.9
181.12262	15.7
184.07338	8.5
185.11641	1.3
189.11189	5.1
191.10606	3.1
193.12259	4.0
194.12686	1.3
199.13318	11.5
209.11714	7.4
211.13254	3.0
225.11098	1.5
227.12784	10.8
230.90436	1.1
255.15915	88.8
265.14191	1.5
267.15952	6.9
269.17429	3.8
270.17642	1.1
283.15378	7.2
287.17691	1.4
301.16461	41.5
309.16888	4.1
337.19998	1.6
379.24570	2.3
397.25711	4.3
409.25839	12.4
437.29245	2.6
446.25851	1.0
447.27499	10.3
463.26559	11.2
464.27655	10.3
479.30270	1.1
480.30359	2.7
481.27896	100.0
482.28189	1.5
609.08813	1.0
642.19354	1.2
679.32520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3304
Annotation	Toxiusol
Peak:m/z	Relative Intensity
50.60649	0.2
53.03936	0.3
55.01868	0.6
55.05508	1.1
57.03433	1.7
61.02927	3.5
67.05505	4.0
69.03437	2.5
69.07062	1.1
69.85547	1.3
71.01338	0.3
71.05006	0.7
72.96941	0.2
73.02919	2.6
79.05505	2.6
81.03427	1.9
81.07057	5.5
82.46631	0.3
83.04980	1.1
83.08614	1.3
85.02906	4.8
86.09641	0.3
86.54436	0.3
87.04456	0.4
91.03947	2.8
91.05494	2.0
93.07044	4.4
95.04993	0.8
95.08609	1.3
97.02903	3.1
97.06543	0.8
98.20825	0.4
99.04479	0.8
101.02397	1.6
103.03945	0.3
105.07041	1.2
107.04967	0.7
107.08596	2.9
109.02905	0.9
109.06509	0.4
109.08900	0.3
109.10194	0.4
111.04450	0.4
111.56339	0.3
117.07064	0.8
119.08587	0.8
121.10141	2.1
123.08054	0.4
124.99973	0.3
127.03937	1.2
131.08582	0.5
133.10156	1.0
134.99954	0.3
135.11720	1.2
139.64542	0.3
145.10153	0.9
149.13268	1.7
159.11731	1.1
163.11217	1.3
173.09656	0.3
177.12784	0.4
177.77531	0.3
181.12373	0.3
184.07365	1.0
185.04268	0.6
185.07774	0.3
195.13824	0.5
209.11734	0.5
235.13159	0.9
243.08398	2.0
249.11052	0.4
269.17624	0.5
291.15863	0.8
322.44962	0.3
453.20941	9.3
467.18854	4.9
517.26971	0.3
679.32965	100.0
680.33704	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	679.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	1.0
55.05503	1.0
56.79990	0.3
57.03438	2.1
60.61838	0.2
61.02928	4.8
63.32344	0.3
67.05509	3.8
69.03436	2.6
69.07061	0.9
71.01343	0.5
71.04980	0.6
73.02919	3.7
79.05502	3.8
81.03421	7.9
81.07055	4.0
83.01369	0.3
83.04534	0.3
83.04961	1.3
83.08634	2.1
85.02905	5.5
85.06542	0.3
86.09677	0.4
87.04481	0.3
91.03964	2.8
91.05483	4.3
91.08929	0.3
93.07047	3.2
95.04963	2.2
95.08598	1.5
97.02897	4.5
97.06532	0.6
97.10213	0.3
99.04463	1.0
101.02398	1.7
103.03974	0.5
105.07045	3.0
105.63731	0.3
107.04942	1.5
107.08602	1.9
109.02888	1.1
109.06525	0.6
109.10167	0.6
111.04462	0.5
111.08082	0.8
117.07024	1.0
119.08585	2.3
121.06560	0.4
121.10151	1.1
123.08068	0.6
127.03924	1.8
128.06230	0.3
129.07011	0.7
131.08565	2.4
133.06453	0.4
133.10121	1.4
135.08061	0.5
135.11668	1.2
137.09641	0.3
142.32764	0.3
145.04990	0.3
145.10144	0.9
146.08760	0.3
147.08073	0.4
147.11699	0.9
149.09575	0.3
149.13222	0.6
153.12744	0.2
157.10161	0.9
159.11678	0.4
160.08922	0.3
163.11211	1.0
169.10188	0.3
171.11801	0.3
175.11220	0.8
181.12170	0.3
184.07407	0.6
185.04259	0.5
185.07767	0.3
187.14827	0.3
193.12231	1.8
195.13843	0.6
197.13396	0.3
203.05313	0.4
211.13326	1.1
225.03555	0.3
233.15268	1.9
235.13123	0.6
243.08434	2.0
249.11066	0.3
250.87415	0.2
251.12607	0.3
252.44507	0.2
267.15900	2.1
269.17426	0.4
285.09848	0.2
307.18958	1.5
429.21237	0.3
429.50043	0.2
450.29398	0.4
451.19427	3.7
453.20987	3.8
467.18936	3.6
469.20541	1.6
499.30664	2.7
517.32269	0.4
609.74725	0.3
661.35712	1.1
679.32983	100.0
680.33130	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	680.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06839	3.2
57.07081	43.9
67.05476	2.8
73.47319	2.3
91.05483	7.8
93.07044	3.0
98.20779	6.6
117.13760	3.2
143.64438	2.4
147.11707	5.6
153.07027	2.9
154.82887	2.5
207.08321	3.1
229.68645	3.5
233.03656	3.4
251.04643	14.6
253.99205	2.8
283.49692	2.9
327.07822	84.4
383.14056	60.7
386.98074	3.1
439.20370	79.0
440.20471	3.1
495.26624	81.4
551.32983	45.0
607.39099	100.0
646.39014	3.4
663.45465	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01868	0.4
55.05508	0.7
57.03442	1.7
61.02930	3.5
67.05508	3.1
69.03428	2.5
69.07072	1.2
70.91012	0.7
70.91359	0.3
71.05006	0.4
73.02916	3.0
79.05502	2.3
80.16201	0.3
81.03419	3.1
81.07061	3.4
83.04987	1.0
83.08611	1.7
85.02908	5.3
85.06567	0.4
85.27235	0.3
87.25893	0.3
91.03955	2.3
91.05492	2.7
93.07051	3.2
95.04983	1.3
95.08632	1.4
97.02898	3.9
97.06552	1.1
97.10165	0.3
101.02404	1.4
103.03971	0.4
105.07058	1.5
107.08581	1.9
109.02913	0.9
109.06541	0.4
117.07005	0.6
119.08578	1.3
121.10122	1.6
123.08094	0.3
125.09622	0.4
127.03928	1.5
129.07056	0.7
131.08553	0.9
133.10155	1.6
136.02289	0.3
137.06010	0.4
145.04936	0.6
145.43059	0.3
147.11728	1.1
149.13269	1.1
157.10139	0.9
159.11723	0.7
175.11258	0.7
185.04338	0.4
193.12326	1.5
195.13937	0.5
211.13390	0.8
222.20316	0.4
235.13164	1.1
243.06169	0.3
243.08481	1.5
251.12604	1.0
307.15356	0.5
319.51941	0.4
322.37543	0.4
349.10901	0.4
349.66235	0.4
429.17676	0.6
453.21021	5.9
469.20532	7.6
519.29144	0.5
681.34564	100.0
682.35248	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	683.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01701	0.4
51.20860	0.4
53.80684	0.5
55.05503	0.7
55.83627	0.4
61.02911	0.5
67.05506	1.2
68.89771	0.4
69.03417	0.8
69.07061	0.7
69.61039	0.4
70.27622	0.9
70.28007	1.3
76.04025	0.4
79.05493	1.0
81.03416	0.7
81.07059	1.4
85.02905	0.9
91.05466	0.8
93.07050	1.2
95.04977	0.5
95.08604	1.3
97.02900	0.7
105.07039	1.0
106.23580	0.5
107.08623	1.0
109.10173	0.7
118.76566	0.5
119.08562	0.6
121.10111	0.7
127.03920	0.5
129.07065	0.5
133.10161	0.9
135.11684	0.7
145.10132	0.9
147.11725	0.6
161.09634	0.7
174.62923	0.5
209.54553	0.5
238.80496	0.4
255.09009	0.5
267.08954	0.9
439.19412	1.0
453.35327	0.5
467.18988	0.6
485.17078	0.7
623.80457	0.5
665.30493	0.5
683.30463	100.0
684.30884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01875	12.3
55.05520	16.5
57.03444	15.3
57.06833	3.1
57.07086	40.5
67.05515	31.9
69.03439	22.1
69.07075	14.8
70.65242	3.9
71.05006	12.7
71.08642	31.4
79.05502	21.2
81.03429	100.0
81.07069	31.7
83.04992	28.8
83.08628	17.7
85.02906	8.8
85.10185	13.1
89.06033	1.8
91.05497	8.7
93.07056	29.1
95.04967	7.1
95.08614	28.2
96.86264	2.2
97.02902	31.5
97.06554	7.9
97.10188	8.5
99.04458	11.9
105.07031	5.7
107.04969	6.1
107.08614	13.3
109.02899	30.7
109.06471	2.1
109.10175	18.3
111.04453	26.6
111.08078	11.1
117.07052	4.1
119.08582	7.2
121.06518	2.1
121.10159	7.7
123.08112	2.2
123.11692	4.0
125.05986	4.4
125.09637	4.6
125.17902	2.0
127.03920	19.9
131.08578	4.0
133.10121	2.6
135.04413	1.9
135.11723	19.5
145.10158	11.6
149.09683	3.9
153.12764	26.9
155.08669	2.1
163.11223	24.4
173.09660	3.8
181.12248	21.6
191.10713	17.3
209.11798	13.1
224.57796	1.9
227.12798	46.5
239.23755	5.3
283.15466	18.0
301.16531	2.5
311.25824	2.3
313.27399	89.6
317.13864	2.5
335.15146	2.2
341.26730	3.2
352.95901	2.1
353.15994	19.7
383.27896	2.7
409.18503	2.5
427.19702	49.3
432.75351	2.1
521.38373	16.5
539.39380	10.3
586.53949	1.9
665.31897	3.0
665.42670	41.5
683.44324	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01877	3.9
57.03423	1.5
57.64104	0.4
61.02911	1.8
64.39272	0.4
67.05498	0.7
68.99780	1.3
69.03085	0.6
69.03433	11.5
69.16740	0.9
69.17152	4.4
71.04984	3.0
73.02902	2.2
78.04720	0.8
79.05496	3.5
81.03422	20.0
81.07040	1.6
83.01376	0.6
85.02906	24.2
87.00830	10.6
87.04430	0.7
91.03953	0.6
91.05434	2.6
93.07048	1.0
95.04972	1.6
95.08582	1.1
97.02892	14.8
98.06013	0.7
98.79702	0.5
99.04480	4.9
102.03629	0.5
103.05463	2.2
104.23830	0.4
105.01865	6.3
105.07049	2.3
107.04285	0.9
107.04958	10.5
108.04438	1.2
109.02884	11.2
109.10135	1.2
111.04478	0.5
115.03931	0.8
115.05432	4.9
116.06227	0.6
117.01862	1.3
117.06213	0.9
117.07020	12.7
118.04296	0.5
119.08565	0.7
121.10133	0.6
123.03650	0.5
123.04403	2.8
124.05251	2.3
126.05485	0.6
127.03917	18.5
128.06200	0.9
129.01842	1.5
129.06989	2.6
130.04132	1.0
131.04939	1.7
131.08585	3.7
133.06491	1.8
133.10136	0.8
133.68274	0.5
135.11665	0.7
137.05974	2.2
141.06996	1.6
143.04848	0.5
144.05728	2.6
145.04971	7.3
145.06479	32.7
145.10138	0.6
147.02888	1.1
147.04404	1.4
147.08080	0.7
152.04704	1.0
153.05513	0.8
155.06012	5.4
155.07109	0.9
156.05688	5.9
157.06473	2.6
158.07283	0.9
159.02914	5.2
159.08047	5.3
160.05162	0.7
161.06006	2.4
163.03893	0.9
167.07045	49.7
169.06421	0.5
169.07684	0.9
173.05988	55.8
174.06618	0.7
175.07510	1.9
177.05457	0.8
177.09045	0.5
181.04967	0.9
181.08594	1.5
183.06471	0.9
184.05217	1.8
186.06740	0.6
187.07535	6.6
189.09154	0.6
190.06252	34.5
191.07059	1.1
193.08588	1.6
195.06508	1.0
202.06328	4.6
203.07021	6.8
204.07727	1.4
205.08601	100.0
207.06494	1.3
209.06192	0.5
209.08000	0.8
211.07442	0.7
213.03844	0.8
215.06952	1.1
217.08603	42.5
219.08075	1.2
219.10162	4.8
219.77753	0.5
220.08992	0.6
221.11659	0.5
223.09558	1.7
229.08588	0.7
231.04955	2.7
231.08125	1.1
231.10196	1.2
233.09592	0.7
235.09644	30.8
236.08307	0.6
247.07382	1.7
247.09674	9.6
248.08232	1.9
249.05984	0.7
249.08907	1.0
249.11293	2.5
251.06999	0.6
251.10802	0.9
262.09943	0.6
263.10706	2.1
264.07779	1.8
265.10718	54.0
269.08142	2.3
271.09689	2.3
276.07794	1.2
277.08548	0.9
279.10190	1.7
282.08777	0.9
285.07568	0.6
290.09610	0.6
291.10141	2.9
293.08063	1.1
299.09332	1.0
307.09695	1.4
308.10309	1.2
309.11032	0.7
315.08630	8.0
316.09274	0.5
319.09790	1.2
321.07294	0.6
323.12616	2.6
324.10239	0.6
330.10974	14.9
331.11823	3.4
336.09827	1.0
337.10663	0.7
339.12274	1.7
343.11823	1.5
351.12228	4.8
352.12958	0.8
356.12979	0.8
368.12540	1.6
369.13232	2.8
371.14780	4.2
373.16275	0.8
383.14890	18.0
385.16238	1.2
401.15970	28.6
417.15500	1.2
684.25970	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	684.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
54.92970	1.1
55.01852	1.1
55.05511	7.9
57.03421	3.5
58.52060	0.9
65.03934	1.1
65.38562	1.0
67.05504	28.3
69.07061	5.7
70.43478	2.4
70.43805	1.0
71.04993	1.9
79.05492	37.8
81.03426	5.6
81.07059	22.4
83.04975	8.0
83.08616	4.7
85.02913	1.7
85.06507	0.9
91.05477	31.9
93.07041	39.7
95.04971	9.8
95.08611	13.1
97.02882	1.1
97.06515	3.4
97.10133	1.5
100.75526	1.0
105.04501	1.5
105.07028	22.4
107.04939	5.2
107.08594	10.3
109.06509	3.8
109.10139	2.6
111.08061	1.3
117.07021	3.8
119.08572	13.2
121.06470	2.2
121.10149	4.0
123.08067	2.2
128.06229	1.7
129.06995	9.0
131.08531	2.4
133.10138	7.3
135.11729	2.6
136.99919	0.9
143.08562	5.2
143.90448	1.0
145.10149	6.2
147.08038	2.2
147.11684	25.8
151.11124	1.2
161.09631	3.5
161.13226	6.7
171.11705	14.9
179.14244	1.3
189.12735	6.5
207.13817	15.9
225.14853	1.1
263.16367	2.1
281.17471	47.6
406.48138	0.9
461.29129	1.1
469.29663	3.3
487.30566	100.0
488.30618	2.0
543.36475	4.1
680.83258	1.4
684.35107	1.2
697.88660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01870	1.0
55.05266	1.0
55.05516	11.4
57.03427	3.4
57.07088	6.3
59.05002	1.4
67.05513	11.0
69.03433	5.0
69.07074	96.1
69.95331	0.8
71.04999	3.4
71.08629	1.8
73.02911	1.2
73.06557	0.9
79.05505	6.5
81.03421	2.2
81.07063	43.7
83.04981	2.5
83.08636	8.9
85.02907	10.6
85.06554	8.4
91.03951	0.8
91.05476	4.8
93.07053	15.3
95.04982	4.6
95.08616	32.0
97.02900	2.5
97.06551	5.8
97.10194	4.1
98.20742	2.7
99.04495	1.1
99.08104	7.5
101.06032	2.0
103.05448	1.5
105.07033	7.7
107.08604	13.1
109.02877	1.5
109.06534	2.6
109.10168	26.2
111.08093	3.0
111.10927	1.4
111.11725	28.8
113.09646	0.8
119.08627	8.1
121.06494	0.9
121.10155	14.1
123.08075	2.7
123.11713	27.8
125.09614	1.6
127.03920	3.3
127.11191	7.3
129.12798	1.5
131.04990	1.0
131.08566	2.1
133.10149	4.8
135.08116	2.1
135.11710	8.8
137.05986	3.9
137.09625	2.4
137.13239	4.0
139.03905	3.0
139.11200	20.5
145.04977	1.7
145.10138	3.6
147.04410	1.3
147.11711	5.3
149.05986	1.7
149.09636	0.9
149.13271	6.1
150.15239	0.9
151.03909	1.6
151.11232	1.5
151.14813	5.9
153.12732	3.0
155.10648	2.3
155.14374	1.4
156.09123	0.9
157.12238	5.7
159.11703	3.8
161.06116	1.3
161.09641	0.9
161.13266	5.0
163.03894	1.2
163.05994	1.0
163.07446	1.1
163.11154	1.3
163.14830	3.4
165.09126	1.5
165.12770	4.5
167.07117	1.5
167.10703	1.0
167.14365	3.3
173.13269	2.5
175.14842	2.2
177.12755	1.9
177.16425	1.9
179.14330	5.6
180.31076	1.0
183.13814	1.1
187.14841	1.9
189.16473	2.1
191.17946	1.6
203.17894	1.1
205.08641	1.4
219.17380	1.2
233.19016	1.4
237.18465	4.4
237.22327	1.1
251.20058	2.2
255.19405	2.1
271.24057	1.6
277.25299	2.1
289.25333	7.5
295.26331	52.0
296.26547	1.2
307.26331	100.0
308.26624	2.0
313.27399	3.2
325.27405	35.7
329.76450	0.8
343.28464	8.8
349.28336	0.8
518.16595	1.0
685.26343	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	685.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01875	2.0
55.05513	17.6
57.03426	4.1
57.07069	6.5
58.36630	1.1
59.04986	3.3
65.03936	1.4
67.05507	24.0
68.05885	1.2
68.83642	1.3
69.03429	9.3
69.07069	54.6
70.83479	4.1
71.04988	7.9
71.08612	3.1
79.05494	16.6
81.03404	3.7
81.07057	100.0
82.07416	1.7
83.04992	10.5
83.08629	16.2
85.02903	12.4
85.06544	11.9
87.04432	1.5
87.08092	1.6
91.05470	10.2
93.07041	43.4
94.67881	1.3
95.04963	13.0
95.08608	65.5
97.02893	4.9
97.06542	9.8
97.10177	7.2
98.97588	2.4
99.04431	2.2
99.08089	7.7
105.07031	18.4
107.04960	1.8
107.08598	33.5
109.02914	2.1
109.06541	5.2
109.10155	46.8
111.08092	9.1
111.11729	9.0
113.09640	1.5
117.06998	1.8
119.04906	1.5
119.08584	16.1
121.06519	3.2
121.10140	30.3
123.04393	2.2
123.08058	3.8
123.11714	37.6
125.05972	2.2
125.09616	4.8
125.13228	1.7
127.03900	3.6
127.11201	5.9
129.06972	1.5
131.08566	5.7
133.10139	7.9
135.11687	22.9
137.05959	4.8
137.09601	4.4
137.13257	23.9
139.03882	3.9
139.11183	6.9
141.12781	1.3
143.08536	1.8
143.10684	1.6
145.04964	3.1
145.10130	7.9
147.04434	3.2
147.11674	11.7
149.09615	2.6
149.13251	12.4
151.03929	2.6
151.11206	3.3
151.14815	3.7
153.12753	12.2
155.10703	2.2
155.14343	1.4
157.12175	2.0
159.11661	6.5
161.05991	2.1
161.09676	1.3
161.13289	5.1
163.03880	4.1
163.11168	4.7
163.14793	5.1
165.09134	2.3
165.12764	4.2
167.07069	2.8
167.14357	3.1
169.12134	1.5
171.13783	5.7
173.13246	3.3
173.15334	3.7
175.07507	1.7
175.14828	4.6
177.12720	1.9
177.16403	5.0
179.14270	1.9
181.12244	3.5
187.13234	2.1
187.14822	2.0
189.16379	2.8
191.17799	2.3
197.13361	1.8
209.19020	3.1
223.20619	1.4
237.18436	3.0
249.22285	1.3
261.25641	2.0
271.24277	5.6
277.25284	4.9
289.25266	18.4
295.26315	26.3
307.26303	59.7
313.27325	8.6
324.25925	1.9
325.27344	34.0
343.28415	8.7
361.29639	7.9
667.26874	1.9
685.25043	2.3
685.35809	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	685.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01870	3.1
55.05270	1.4
55.05514	18.9
57.03442	9.1
57.07079	31.5
67.05507	20.2
69.03435	10.9
69.07071	9.8
69.26118	9.5
71.04996	2.3
71.08637	23.7
73.02914	1.7
79.05129	1.1
79.05501	12.7
81.03422	57.4
81.07061	24.7
83.04989	28.1
83.08625	21.6
85.02911	11.8
85.06564	1.3
85.10187	12.7
91.05486	14.6
93.07042	9.2
95.04980	15.2
95.08080	0.8
95.08611	20.7
97.02899	10.4
97.06521	3.1
97.10168	7.0
98.20764	1.7
99.04435	2.2
105.07030	13.2
107.04939	4.1
107.08588	4.6
109.02901	6.7
109.06487	2.1
109.10164	10.0
111.04447	10.9
111.08090	8.4
113.05991	1.6
117.07040	1.3
119.08588	10.2
121.06474	1.7
121.10123	5.6
123.08061	1.0
123.11686	3.9
125.09563	1.4
127.03923	6.2
129.05490	7.8
129.07019	5.0
131.08598	6.5
133.06534	2.1
133.10136	5.1
135.11682	2.2
142.07805	2.0
145.10159	2.5
147.07997	2.4
147.11688	12.2
149.09726	2.5
153.12775	2.1
157.10149	8.4
161.72983	0.9
163.11143	2.8
165.12720	2.4
175.11215	9.5
179.89087	1.0
181.12291	1.5
191.10654	2.4
193.12267	31.0
209.11810	1.5
211.13309	43.0
227.12781	3.4
229.14352	3.3
239.23689	3.7
249.14938	2.4
257.24805	1.7
267.15912	12.7
283.15466	1.8
285.17047	12.0
298.27142	1.1
301.14215	1.6
313.27380	52.2
337.16766	1.4
355.17505	4.6
411.19913	2.3
429.21262	20.8
429.26944	0.8
429.34570	1.2
477.32800	1.0
505.38962	9.7
523.39960	100.0
524.40405	3.3
649.41608	1.1
667.44208	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.05515	17.7
57.03424	7.6
57.07079	31.6
64.00018	2.3
67.05234	2.2
67.05517	25.7
69.03426	11.0
69.07063	9.2
70.11831	10.4
71.05003	3.6
71.08637	26.2
73.05727	2.6
79.05506	14.5
81.03423	60.6
81.07056	26.9
83.04980	27.1
83.08628	23.8
83.21303	2.5
85.02911	12.3
85.10196	17.4
91.05460	21.2
91.07412	2.5
93.07058	12.3
95.04979	17.6
95.08616	31.2
97.02888	10.9
97.10192	6.8
99.04467	3.5
105.07027	14.0
107.04922	4.7
107.08601	7.9
108.88291	2.4
109.02893	6.9
109.06525	3.4
109.10164	13.2
111.04448	10.1
111.08076	6.0
119.08595	13.8
121.10146	7.8
123.11743	4.8
127.03932	6.1
129.05499	9.2
129.07005	8.1
131.08556	9.1
133.10156	7.0
133.82590	2.8
147.08124	2.8
147.11697	10.9
157.10136	9.0
165.12744	4.2
175.11200	10.7
181.12271	5.1
193.12251	34.2
211.13293	45.6
217.15002	3.0
227.12813	3.9
229.14461	5.1
239.23849	5.7
254.26920	2.5
267.15970	17.2
285.16968	14.0
313.27377	55.0
355.17416	4.3
429.21136	17.3
505.38837	14.7
523.39923	100.0
563.06989	3.1
563.16431	2.9
667.43933	24.0
685.46570	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	686.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01855	4.0
55.05513	12.3
57.03432	6.3
57.67526	1.0
59.04995	1.6
61.02903	1.8
65.03887	1.1
67.05503	23.0
69.03425	1.5
69.07063	6.4
71.04984	2.8
71.53592	1.4
73.06536	1.3
79.05493	39.1
81.03422	9.3
81.07055	22.2
81.55984	1.1
83.01340	4.1
83.04988	11.3
83.08630	6.5
85.02883	3.5
91.05479	26.1
93.07043	34.4
95.04971	8.8
95.08610	12.7
97.02868	2.6
97.06515	5.0
97.10167	3.6
97.10785	0.9
99.04436	2.6
103.05455	1.0
105.04550	1.5
105.07026	20.2
107.04979	6.3
107.08605	12.5
109.02836	1.1
109.06511	5.1
109.10127	3.7
111.04417	1.6
111.08056	1.5
117.07004	6.4
119.08572	13.5
121.06493	3.4
121.10161	6.1
123.08073	6.0
125.09575	1.3
127.07520	1.3
129.07021	8.2
131.08568	2.8
133.10094	5.6
135.08043	1.5
135.11705	5.3
137.09607	2.1
143.08519	6.1
145.10130	10.8
147.08038	1.2
147.11687	15.5
156.09285	1.4
159.07967	1.1
159.11760	1.0
161.09604	1.8
161.13257	5.0
163.11194	10.3
171.11688	12.4
181.12317	1.8
189.12741	4.0
193.12381	1.0
199.10988	1.0
207.13803	12.9
209.11737	2.9
225.14819	1.2
227.12804	1.2
238.11446	1.0
265.14313	2.2
281.17484	36.7
283.15390	32.7
425.34387	1.2
461.29364	1.4
471.27457	5.3
489.28479	100.0
490.28772	2.8
546.77869	1.2
606.02490	1.2
686.39288	1.6
712.82758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.01883	1.2
55.05520	12.1
57.03189	1.0
57.03444	12.3
57.07085	1.5
59.05002	3.8
61.02933	5.7
65.03946	1.9
65.17741	0.6
67.05511	100.0
68.05853	1.1
69.03442	1.4
69.07079	8.5
69.43579	4.7
71.05013	3.4
71.08628	0.7
71.32951	0.6
73.02921	1.5
77.03975	0.6
79.05500	20.6
79.05965	1.0
81.03436	1.0
81.07065	36.0
83.05002	1.4
83.08627	8.9
85.02914	4.3
85.06546	3.1
87.54387	0.6
91.03966	2.0
91.05488	15.0
93.07050	26.9
95.05009	1.9
95.08618	26.7
95.09245	0.8
97.02910	1.8
97.06526	1.8
97.10168	2.0
99.08091	1.3
105.07026	6.1
107.07881	0.8
107.08604	13.6
109.10168	75.3
111.08119	4.3
111.55248	0.6
117.07007	2.9
119.08596	10.7
121.10144	11.5
123.08051	0.7
123.11719	3.6
125.09620	1.5
131.08568	5.6
133.10156	5.5
135.08095	0.8
135.11711	7.9
137.09624	2.1
137.13274	1.1
139.11263	0.6
145.10144	4.1
147.11697	2.5
149.13275	4.3
153.12822	0.7
155.10686	8.0
159.11740	3.2
161.13292	3.0
163.14825	2.3
173.11751	14.7
173.13290	4.1
175.14812	0.9
187.14815	1.6
188.02080	0.6
189.11256	0.6
196.60371	0.6
201.72862	0.7
227.12784	4.3
229.14371	91.0
230.14804	1.2
233.22545	0.9
243.21060	5.9
243.23010	0.6
261.22177	17.3
262.22470	0.6
271.54297	0.6
272.04810	0.6
317.24692	3.2
335.25830	81.4
336.26172	1.6
379.29929	0.8
397.30832	0.8
435.32120	0.8
471.34607	1.0
489.35806	65.2
490.35718	1.6
507.36807	4.1
701.25452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01873	1.0
55.05514	10.4
57.03437	11.2
57.03705	0.9
57.07078	2.0
59.05012	4.3
60.77319	0.5
61.02930	4.6
65.03941	1.8
67.05507	88.6
68.05850	0.7
69.03430	1.8
69.07076	7.3
71.04990	3.4
71.08637	0.7
71.38959	0.5
73.02924	1.7
79.05496	17.9
81.07058	35.8
81.97650	0.4
83.04987	0.9
83.08622	8.5
85.02914	2.7
85.06535	1.5
91.03959	1.8
91.05482	11.7
93.07044	23.6
94.05861	0.6
95.04967	2.1
95.08611	25.3
97.02921	2.6
97.06559	1.2
97.10176	2.0
99.08052	1.1
103.74562	0.5
105.07030	6.0
107.04811	0.5
107.08598	14.6
109.06479	0.9
109.10159	74.6
109.16390	0.5
111.08096	4.3
117.07047	2.5
118.02463	0.5
119.08598	10.1
121.10155	8.0
123.11713	3.2
125.09640	1.7
127.11293	0.6
131.08580	4.3
133.10156	5.1
135.11697	5.8
137.09613	3.7
137.13235	1.1
145.10132	4.1
147.11668	3.5
149.13257	3.6
155.10675	8.4
157.29893	0.5
159.11682	2.4
161.13260	2.3
163.14806	2.8
173.11775	18.5
173.13290	3.3
175.14801	1.4
177.16368	0.9
187.14851	1.6
189.11223	0.7
193.61353	0.5
227.12778	6.5
229.14357	100.0
230.14571	1.3
243.21106	3.9
243.23245	0.6
261.22153	17.0
279.22830	0.6
317.24725	3.3
335.25803	70.3
336.26178	1.9
379.29904	1.5
397.30911	1.4
415.32068	2.0
471.34448	1.3
489.35776	41.7
490.35974	1.1
507.36819	3.6
515.13495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.9
54.65533	0.7
55.01874	2.8
55.05514	1.0
57.03447	6.1
58.92953	1.0
61.02934	16.9
62.94089	0.7
67.05509	3.3
69.03435	40.2
69.07061	1.1
71.01359	6.8
71.05003	8.6
71.53207	0.8
71.53568	0.8
72.20996	0.7
73.02928	8.1
73.56289	0.7
77.23285	0.7
79.05500	2.4
81.03423	100.0
81.07065	2.8
83.01344	1.4
83.04994	3.1
83.08621	1.1
85.02910	69.8
87.04475	0.9
91.03960	12.2
91.05498	1.7
93.07048	2.2
95.01331	11.9
95.04978	2.6
95.08612	1.7
97.02898	69.0
97.06524	0.9
99.04464	25.1
101.02371	2.1
103.03926	4.2
105.07041	1.2
105.45575	0.7
107.04975	1.2
107.08631	1.6
109.02888	38.7
109.10146	1.3
111.04443	4.7
113.02378	8.0
115.03940	2.9
119.08578	0.9
121.10203	1.0
123.00778	1.1
123.04469	2.1
125.02389	2.0
127.03925	72.4
131.03459	1.0
135.04445	1.7
135.11739	0.8
137.02354	3.3
137.06029	0.9
139.03946	2.3
141.01834	33.3
141.05490	1.6
142.65919	0.8
145.04974	23.1
145.10167	0.7
147.04437	1.3
147.11748	1.1
151.03952	2.2
159.02902	8.2
159.06602	1.2
163.03909	1.9
163.06004	13.8
163.11180	0.8
165.05507	1.2
169.01360	1.7
169.04982	2.2
173.04482	15.9
177.03984	0.8
181.04979	5.2
187.02493	2.3
187.06036	38.7
191.05547	1.5
193.05016	3.1
194.22816	0.8
205.03439	3.5
205.07079	7.0
211.06024	2.3
215.05467	1.2
219.05020	1.3
229.07097	1.1
245.06677	1.2
245.77643	0.8
253.07222	2.4
257.06619	1.2
271.08203	4.0
283.15341	1.0
285.06067	2.5
289.09256	0.8
303.07007	1.8
331.10330	1.7
345.08221	1.6
349.11398	4.0
363.09244	16.7
525.14471	1.8
616.85614	0.7
687.18903	0.9
687.37036	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	687.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78278	0.4
56.10601	0.4
63.89199	0.4
73.43475	0.5
76.04782	0.4
97.02829	0.5
98.97596	0.6
107.50854	0.4
121.24348	0.4
177.01653	1.2
185.04221	1.5
192.03941	9.2
193.04755	4.2
219.01756	0.5
229.05231	0.5
266.52359	0.5
277.03467	1.4
279.85049	0.4
303.01422	1.1
324.08188	2.3
325.08939	0.5
355.10028	100.0
356.10233	0.7
376.98270	0.6
400.47491	0.5
459.90207	0.5
651.00299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01869	1.1
57.03419	0.6
61.02921	0.3
62.48701	0.2
67.05511	0.3
69.03073	0.3
69.03429	2.6
71.04976	0.6
71.54417	0.2
73.02911	0.4
77.03907	0.2
78.04717	1.3
79.05067	0.2
79.05490	2.7
81.03422	2.3
81.07066	0.4
85.02909	4.9
87.00843	1.8
91.05479	1.6
93.07035	0.7
94.04196	0.2
95.04984	1.2
95.08595	0.3
97.02897	2.1
98.97598	0.2
99.04436	0.6
103.05468	3.6
105.01887	1.1
105.03314	0.3
105.07043	4.2
106.04188	1.1
107.04958	6.1
109.02873	1.7
109.06508	0.6
111.04448	1.3
115.05441	1.4
117.01898	0.2
117.07015	1.0
119.04945	0.5
119.08588	0.3
121.06500	1.8
122.03643	0.4
123.04433	4.9
123.08045	0.6
124.05205	2.1
125.05992	0.6
127.03898	2.0
128.06152	0.3
129.06996	0.8
131.04930	6.2
131.08516	1.1
132.05730	0.3
133.06493	5.5
134.03629	0.2
135.04433	0.4
135.08066	1.3
136.05214	0.4
137.05977	3.5
138.06770	0.3
139.07561	0.2
141.06987	0.7
143.04904	0.5
143.06021	0.4
143.08459	0.2
144.05682	0.6
145.04993	0.5
145.06482	3.0
145.10110	0.6
146.07132	0.2
147.04411	2.0
147.08083	0.6
149.05969	0.7
151.03883	1.2
151.07532	3.3
152.04688	1.5
153.05495	0.8
155.08594	0.3
156.05766	0.3
157.06467	0.4
158.07286	1.1
159.02914	0.8
159.04315	0.2
159.08069	1.4
161.04628	0.4
161.05989	6.6
163.07547	10.7
165.05511	0.5
165.09053	0.4
166.06317	0.3
167.07039	100.0
168.07463	0.9
169.06396	0.2
171.08110	0.5
172.05229	0.5
173.05977	1.3
173.09700	1.4
174.06879	0.2
175.07529	2.0
177.05545	0.3
177.09094	2.3
178.06248	0.6
179.07042	2.9
181.08595	6.1
181.10217	0.4
183.08054	0.2
186.06754	0.3
187.07558	3.1
189.09135	0.7
190.06349	0.2
191.06966	0.5
192.07848	0.9
193.08604	14.8
195.10196	0.5
199.07532	0.4
201.09131	2.0
202.53989	0.2
203.03410	0.6
203.06993	0.3
204.07886	0.3
205.08582	2.1
207.10118	1.1
211.09686	0.8
217.08562	1.4
219.10162	3.3
221.11737	0.5
231.08070	0.7
231.10295	0.7
232.08508	0.2
233.11765	3.1
237.11234	2.9
248.08215	0.3
249.09023	0.3
249.11302	2.5
251.12695	1.8
261.09009	0.2
263.10843	1.1
277.10782	0.8
287.05621	0.2
291.09973	1.0
295.10123	0.2
295.13324	0.8
303.05063	0.6
323.12820	1.8
351.20746	0.3
355.15384	10.5
361.02188	0.5
383.15134	0.3
387.18039	13.3
397.16400	0.6
405.19086	40.3
406.19144	0.7
413.15872	0.5
415.17487	0.5
423.19992	1.8
429.19229	0.7
471.20047	0.3
494.19305	0.3
495.19827	0.5
513.21234	0.7
519.12671	0.4
526.21753	0.2
531.22229	2.1
603.78162	0.2
710.30322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26579	0.3
53.03913	1.5
55.01875	5.3
55.05511	10.2
57.03435	8.0
57.07046	0.5
59.05003	2.1
61.02927	3.4
65.03922	0.4
67.05503	8.2
69.03382	1.2
69.07072	1.9
71.01308	1.2
71.04990	2.8
73.02882	1.1
79.05492	14.2
81.03416	8.8
81.07056	12.0
83.01343	6.9
83.04976	8.1
83.08617	8.7
85.02435	0.4
85.02902	6.0
85.06507	0.7
91.03931	1.5
91.05476	7.8
93.07042	17.5
95.04956	5.0
95.08061	0.4
95.08604	5.5
97.02902	3.0
97.06023	0.3
97.06532	3.8
97.10123	0.8
98.21559	0.5
99.04476	1.8
99.21034	0.3
101.55122	0.4
105.06409	0.4
105.07031	6.3
107.04288	0.5
107.04955	6.4
107.08596	9.0
108.77699	0.3
109.02843	0.5
109.06514	5.7
109.10117	1.3
111.04429	2.3
111.05067	0.4
111.08044	1.3
111.38480	0.3
117.06249	0.4
117.07018	5.3
119.06072	0.3
119.07828	0.4
119.08582	5.8
121.06506	2.8
121.10146	5.9
123.04430	0.5
123.08071	6.7
125.05956	1.1
125.09596	1.1
127.03896	0.6
129.06985	1.0
130.07724	1.2
131.04932	0.5
131.08534	2.3
133.10098	1.7
135.04340	0.4
135.08078	1.6
135.11687	10.2
137.09578	1.3
139.07504	0.4
143.08521	0.6
145.06450	0.8
145.10120	11.2
147.08002	1.4
147.11554	0.4
149.09587	0.6
153.12729	2.2
155.08524	1.1
163.11179	19.5
164.11536	0.4
173.09636	2.6
181.12233	2.6
191.10634	1.9
209.11725	5.9
227.12839	2.5
283.15384	100.0
284.15659	1.3
491.26398	49.4
492.26553	1.0
494.78378	0.4
688.77325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03944	4.5
55.01867	2.1
55.05513	15.4
56.48390	1.2
57.03436	12.8
61.02921	2.4
65.03938	1.3
65.18845	1.0
66.38393	1.1
67.05505	35.4
69.03420	3.4
69.07063	6.7
69.24232	1.0
69.36926	8.7
71.04990	4.0
77.03913	2.1
79.05490	49.0
81.03418	48.6
81.07056	32.1
83.04979	13.3
83.08617	16.9
85.02911	13.8
85.06554	2.7
89.46494	1.0
91.05478	45.8
93.07041	44.1
95.04968	25.7
95.08609	18.7
95.09182	2.0
97.02890	3.3
97.06509	4.6
97.10164	4.2
105.04516	1.3
105.07030	33.6
107.04956	5.4
107.08582	11.0
109.06528	5.8
109.10147	2.9
111.04467	2.3
111.08092	7.5
113.06068	1.7
115.05418	1.3
117.07021	5.2
119.08581	25.6
121.06510	1.4
121.10146	6.7
123.08086	4.6
123.11703	2.1
125.09579	1.3
128.06183	2.1
129.07008	14.2
131.08594	6.5
133.06499	2.0
133.10110	11.5
135.11658	1.3
139.10529	1.1
142.07782	2.7
143.08578	4.7
145.10141	6.5
147.08035	4.1
147.11684	26.9
149.09605	3.2
157.10103	9.4
161.09677	1.6
161.13290	4.6
163.11150	1.7
165.12851	1.4
171.11661	12.4
175.11180	9.2
189.12726	6.3
193.12247	24.6
207.13785	15.9
211.13289	27.7
225.14784	1.5
267.15915	33.5
281.17480	44.7
285.16949	31.3
433.92099	1.3
473.28976	100.0
474.29361	2.6
491.30075	70.3
492.30545	1.5
531.66443	1.2
544.91388	1.3
635.17041	1.3
635.33972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29983	0.5
55.05499	0.9
69.03439	1.1
69.07051	0.5
71.55042	1.1
81.03423	0.7
81.07026	1.0
85.02908	1.0
91.05504	0.8
95.08643	0.8
105.07031	0.8
107.02599	0.6
109.02894	0.7
121.10197	0.9
131.42586	0.6
137.05992	4.5
138.06364	1.5
161.42639	0.6
163.07591	0.6
167.07074	3.3
168.07530	0.6
193.08618	0.6
205.08690	0.7
271.04324	1.6
359.23303	1.1
359.73358	1.0
370.26425	0.5
425.11908	1.3
440.14505	2.5
441.15182	4.7
493.88644	0.6
501.16156	1.0
555.17981	0.6
570.40118	0.7
603.20264	3.5
645.10870	1.1
645.21588	21.2
689.20551	100.0
690.20105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03432	2.2
61.02930	3.3
69.03425	9.6
70.21434	2.9
70.21827	3.0
71.05016	1.5
73.02927	1.9
74.24841	1.2
79.67932	1.5
81.03412	4.0
85.02913	20.3
87.04471	1.9
97.02889	9.8
99.04453	2.2
101.00909	10.8
109.02899	2.7
113.00860	3.5
119.01929	17.8
127.02428	3.6
127.03917	12.1
131.01932	10.3
133.03494	3.0
143.01907	22.5
145.03471	10.8
145.04965	9.6
153.01852	3.0
155.01904	19.9
156.02710	1.8
157.03465	9.5
157.07092	2.0
159.05115	1.8
161.02971	21.6
167.01924	5.2
169.03432	2.8
171.05075	4.7
173.02972	21.3
173.06621	4.6
175.04541	1.8
175.08130	6.1
176.06068	4.1
179.02029	2.9
181.03432	2.1
181.07086	4.6
183.05075	1.7
185.02953	23.4
185.06621	6.5
187.04520	5.6
189.06104	2.2
191.03996	2.6
193.07121	3.1
193.08975	1.8
195.08679	2.4
197.02928	9.5
199.08157	25.8
201.06107	2.1
201.09720	7.2
203.03957	16.0
203.07613	4.8
211.08182	23.6
213.06004	2.4
213.09692	7.4
215.00221	1.6
215.03966	4.6
215.07539	2.1
217.09212	7.6
219.07135	3.4
221.05084	20.9
223.04718	2.2
227.04005	6.2
227.07657	4.6
229.09236	11.3
231.03395	2.0
231.07300	2.2
231.10779	1.9
235.08087	2.2
241.09250	8.3
243.10602	1.7
245.05072	51.0
245.08818	3.9
246.05246	3.1
247.04785	3.5
248.24948	1.6
253.09285	6.1
257.05020	2.9
257.08688	8.3
258.05902	1.6
259.02112	1.3
259.06595	4.1
259.10358	2.6
263.06134	7.9
264.07504	1.5
266.09189	4.1
269.08633	2.4
273.08176	11.9
273.58365	2.1
274.08292	2.2
275.06152	8.2
275.09741	16.1
277.03275	3.8
281.07239	2.3
281.57208	1.6
283.10324	25.0
285.08237	2.1
287.06244	1.8
287.09756	4.3
291.09198	2.7
294.82275	1.5
301.11331	100.0
303.01337	5.1
303.09119	3.2
305.07095	5.8
319.12390	52.7
321.10364	5.8
329.10742	7.5
347.07965	2.1
347.11917	35.3
347.62161	2.2
351.11423	3.1
355.10846	3.6
361.13611	3.9
362.02005	1.6
362.09607	3.1
365.13083	71.7
388.14328	3.3
389.12878	2.4
407.14020	63.0
419.13864	5.2
437.15109	12.8
467.16165	12.3
483.15009	2.0
491.15695	4.0
509.17355	11.7
527.18311	13.6
585.13983	2.1
618.25000	1.9
689.23291	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	689.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81056	0.4
53.03942	0.6
55.01883	0.5
55.05513	1.9
57.03432	0.9
61.02927	3.2
67.05504	4.2
69.03437	2.4
69.07059	1.1
71.04973	0.7
71.52643	0.6
71.53005	0.4
73.02926	2.7
79.05494	6.8
81.03426	3.4
81.07068	4.9
83.04986	1.7
83.08625	0.9
85.02925	4.0
85.06565	0.3
91.03957	2.6
91.05482	5.8
93.07040	5.4
95.04964	1.5
95.08624	2.3
97.02892	3.2
97.06547	0.8
97.10189	0.8
99.04475	0.9
101.02370	1.3
105.07033	4.0
107.04955	0.9
107.08595	2.2
109.02904	0.4
109.06555	0.4
109.10156	0.9
117.07033	0.9
119.08589	2.6
121.10152	0.4
123.08079	0.6
127.03918	1.0
129.07028	1.9
131.08607	0.7
133.10164	1.2
135.11748	0.4
139.93767	0.3
143.08580	1.1
145.10117	1.3
147.11700	3.4
159.11661	0.5
161.13316	0.8
171.11676	2.1
183.11580	0.4
189.12723	0.7
207.13824	0.9
241.07007	0.4
243.08377	2.4
247.13063	2.6
264.21710	0.4
281.17545	0.6
303.15863	0.8
325.57809	0.3
465.20972	15.9
521.63745	0.4
527.29926	0.6
671.40417	0.4
689.35046	100.0
690.35376	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	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
52.11523	0.8
53.03949	11.2
53.81311	0.6
55.01883	5.4
55.05512	31.0
57.03442	11.0
57.07069	3.2
57.71040	0.7
59.04996	1.2
61.02927	1.4
63.65868	0.7
65.03939	5.8
67.05505	74.3
68.05839	0.8
69.03430	34.1
69.06718	1.3
69.07071	18.8
70.59593	0.6
71.01361	1.1
71.04994	11.8
72.95726	0.7
73.02905	1.9
77.03918	1.7
79.05492	68.8
81.03419	96.6
81.07056	76.4
83.04981	21.6
83.08616	24.2
85.02905	18.0
85.06561	3.8
87.04467	1.6
91.05483	59.4
93.03400	0.8
93.07045	69.8
95.04971	31.8
95.08607	43.6
97.02896	22.1
97.06532	10.1
97.10154	6.9
99.04461	6.7
99.08102	2.6
101.02391	1.9
103.03959	1.3
103.05490	1.6
105.04533	3.3
105.07037	45.8
107.04965	8.9
107.07865	1.8
107.08595	34.7
109.02880	18.3
109.06523	8.4
109.10159	16.8
111.04446	11.9
111.08089	9.8
113.06032	2.7
115.05437	4.8
116.06218	1.0
117.07027	17.4
119.04958	0.9
119.08581	36.1
121.06521	5.8
121.10148	29.3
121.11037	1.5
123.04446	3.2
123.08063	5.4
123.11701	6.4
125.06009	1.0
125.09636	4.0
127.03931	12.8
127.07552	1.2
128.06239	2.8
129.05490	3.4
129.07013	17.3
130.07869	1.2
131.04945	1.5
131.08571	29.3
133.06497	4.7
133.10130	22.8
135.08083	4.4
135.11699	14.3
137.06015	1.4
137.09610	3.9
137.13275	1.5
139.11185	1.0
141.07027	2.5
142.07779	4.0
143.08562	8.7
144.09352	0.9
145.04918	0.9
145.06435	3.5
145.10126	16.8
147.04402	1.3
147.08076	5.7
147.11681	25.5
149.06053	1.1
149.09619	6.9
149.13237	6.0
151.11191	1.5
153.08972	0.8
153.12770	2.7
155.08539	5.9
157.06535	1.7
157.10129	15.6
159.08072	2.6
159.11688	10.4
161.06029	1.1
161.09660	2.5
161.13269	5.2
163.11212	6.8
163.14874	2.0
165.12758	5.8
167.08565	2.7
169.10126	5.2
171.08182	1.6
171.11664	8.1
173.04483	5.6
173.09679	2.6
173.11876	1.4
173.13249	7.5
175.11186	14.1
175.14912	2.3
177.12775	1.9
181.10208	2.5
181.12239	4.7
182.10913	0.9
183.08029	1.0
183.11726	4.1
185.09654	2.1
185.13271	4.7
187.11211	3.0
187.14847	2.9
189.09103	0.8
189.11232	1.4
189.12811	2.0
189.16347	1.1
191.10617	3.7
191.14423	0.8
193.10446	1.6
193.12248	40.5
195.11638	2.2
195.13519	0.7
197.09641	1.3
197.13297	3.8
199.11215	1.2
199.14838	3.1
201.12721	1.2
201.16397	1.5
203.14252	0.9
207.11778	1.6
207.13771	1.2
209.11620	1.2
209.13332	2.4
211.13280	62.4
213.12823	2.2
213.14786	1.2
215.14468	1.1
217.12401	1.1
217.15886	0.8
219.11710	0.9
219.13908	1.0
219.17514	0.7
221.13394	1.3
225.16510	1.2
227.12579	5.3
229.14406	2.6
231.13838	1.0
233.15430	1.0
237.12804	1.1
243.13969	1.3
243.21063	1.7
249.14822	1.3
259.20673	3.0
261.22107	5.4
265.14346	0.9
267.15887	9.8
271.20541	1.2
273.14963	2.4
275.20282	0.9
277.21664	2.3
283.15533	1.5
285.17007	10.0
287.20145	0.9
289.21762	1.3
291.23022	0.9
299.23724	1.0
301.14453	1.3
301.21768	3.2
311.23639	1.0
313.16333	1.4
315.23282	1.4
317.24792	2.0
319.15448	1.7
319.22867	1.1
323.23868	1.2
327.23282	1.7
329.92184	0.9
333.24414	0.9
335.25806	17.5
337.16595	2.0
339.23129	0.8
341.25281	1.1
345.24426	1.3
351.19211	1.0
351.22800	3.8
355.17496	7.6
369.24304	7.9
371.26050	1.0
375.25436	0.9
387.25153	3.8
393.19186	1.0
401.27039	0.8
405.26328	1.8
411.20145	8.4
435.32587	1.4
443.28104	4.2
453.33746	1.8
461.29031	4.3
479.29898	1.0
509.36093	1.5
517.38519	1.0
527.37384	14.8
543.37219	1.3
545.38440	10.8
561.36993	1.1
611.39117	0.9
615.38361	1.0
635.39630	2.9
643.41498	0.8
653.40277	6.6
671.41620	9.6
672.42706	1.0
689.42578	100.0
690.42786	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	689.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21342	1.0
53.03953	10.0
55.01874	8.1
55.05265	1.8
55.05515	25.5
57.03439	10.8
57.06768	0.8
57.07076	2.7
59.34367	0.9
61.02914	1.4
65.03947	6.2
67.05506	72.5
69.03077	1.9
69.03432	30.1
69.07069	21.7
69.52541	3.7
69.52945	2.0
71.01360	2.0
71.04992	10.4
73.02930	1.7
73.37295	0.8
77.03953	1.3
79.05496	67.5
81.03419	100.0
81.07059	76.0
83.04989	23.5
83.08614	24.2
85.02908	18.5
85.06544	3.2
87.04476	1.5
91.05484	67.9
93.07046	71.2
95.01327	1.2
95.04968	34.0
95.05561	2.0
95.08610	45.9
97.02893	21.8
97.06529	8.5
97.10183	6.9
99.04444	7.0
99.08114	2.3
101.02353	1.0
103.03941	1.9
103.05470	2.2
105.04547	2.6
105.07033	51.5
107.04960	12.4
107.08598	36.3
109.02883	15.3
109.06519	9.5
109.10162	16.0
109.53866	1.0
111.04456	14.3
111.08095	11.3
111.93657	0.8
113.06042	1.9
113.09644	1.2
115.05431	5.9
117.07020	16.4
119.04947	1.5
119.08585	37.5
121.06484	6.6
121.10143	31.4
123.04442	7.2
123.08063	5.9
123.11723	7.1
125.06038	1.8
125.09671	4.4
127.03924	10.3
128.06230	3.7
129.05495	2.6
129.07007	19.4
130.07851	1.1
131.04945	2.0
131.08578	30.5
133.06529	5.9
133.10135	22.7
135.04475	1.2
135.08090	4.0
135.11687	13.8
137.05986	2.3
137.09660	3.8
139.11230	1.7
141.07004	4.8
142.07770	3.0
143.08562	9.8
145.06516	4.6
145.10117	20.0
147.04440	2.2
147.08060	6.9
147.11691	26.6
149.06079	2.2
149.09602	7.2
149.13290	6.5
151.07524	1.5
153.07014	1.8
153.09062	1.8
153.12756	1.9
155.08542	6.4
157.06535	1.9
157.10138	17.4
159.08099	3.9
159.11674	13.4
161.06059	1.9
161.09648	3.5
161.13255	6.2
163.07544	1.8
163.11145	6.2
163.14885	2.3
165.12769	6.4
167.08617	3.5
169.10085	6.6
171.08104	3.5
171.11662	7.8
173.04515	5.5
173.09642	2.6
173.13254	7.8
175.07594	1.6
175.11208	13.6
175.14859	2.6
177.09200	1.2
177.12717	2.3
179.08591	1.3
181.10173	2.6
181.12309	3.2
183.11763	5.0
185.05963	1.3
185.09674	3.4
185.13216	5.8
187.11234	1.8
187.14832	3.2
189.12798	4.2
191.10719	3.9
193.12247	35.4
195.11745	3.2
195.13750	1.6
197.09634	1.5
197.13303	3.7
199.06015	1.5
199.11275	3.3
199.14868	2.6
201.12724	2.2
203.10728	1.1
205.12231	1.9
207.13879	2.2
209.11633	1.5
209.13385	3.3
211.13283	48.3
213.12865	2.7
213.16536	1.4
215.14235	1.4
217.15974	1.5
219.13893	1.1
223.14917	1.5
225.12851	1.4
225.16432	1.5
227.12570	4.8
227.14734	1.5
229.14388	2.0
231.13881	1.8
235.13177	5.2
243.21077	1.8
249.14838	2.0
255.14014	1.2
257.15405	1.0
259.13376	2.0
259.20651	4.1
261.15015	1.1
261.22235	6.3
267.15948	12.8
273.14896	3.3
273.22302	1.6
277.21719	2.5
283.20642	1.4
285.16919	12.6
285.22180	1.4
289.14548	1.1
289.21719	1.1
291.16141	2.1
297.22287	1.3
301.14404	3.5
301.21686	4.0
303.23386	1.5
313.21582	1.6
315.23276	3.0
319.15582	2.6
319.22757	1.4
327.23270	2.2
333.24481	1.7
335.25861	16.5
336.54379	1.0
337.16531	4.5
341.24875	2.6
345.24466	1.6
351.19299	1.2
351.23019	5.1
353.24872	1.8
355.17407	7.6
369.24329	10.7
375.18231	1.4
387.25397	6.2
393.19281	1.5
405.26511	4.8
411.20172	8.4
425.26859	1.6
435.32422	2.5
437.28891	1.3
443.28061	4.9
453.33905	1.1
461.29050	6.0
498.68933	1.1
509.36526	1.1
527.37378	14.2
545.38544	8.2
561.36731	1.3
569.38422	1.7
607.39703	1.4
611.40576	1.9
615.38556	1.3
635.39563	4.8
641.39850	1.5
653.40381	12.3
671.41449	14.3
689.42615	83.8
690.43030	3.4
710.80902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.4
53.03955	10.4
55.01876	7.3
55.05517	31.0
57.03440	11.7
57.07082	2.6
61.02917	1.0
65.03951	6.2
65.05435	0.8
67.05511	73.7
69.03438	36.0
69.03817	1.2
69.06727	1.7
69.07076	19.3
69.07455	1.2
69.56346	0.9
71.01362	2.1
71.05008	9.0
73.02924	1.0
77.03924	1.6
79.05502	69.0
79.72260	0.9
81.03426	100.0
81.07065	72.5
83.04986	24.4
83.08628	23.9
85.02915	21.0
85.06541	4.3
87.04485	1.9
91.05489	62.2
93.03407	1.0
93.07053	71.3
95.04976	30.9
95.05561	1.8
95.08618	43.2
97.02904	20.1
97.06539	8.4
97.10182	6.0
98.20714	1.8
99.04460	6.4
99.08121	2.5
100.19016	0.9
103.03950	1.0
103.05488	1.5
105.04522	2.3
105.07043	44.5
107.04966	9.3
107.08604	32.2
107.09294	1.9
109.02892	17.6
109.06523	7.9
109.10165	16.1
111.04460	14.3
111.08092	9.4
113.06018	2.1
115.05478	3.9
117.07032	17.1
119.04977	1.1
119.08594	38.6
121.06522	6.2
121.10156	27.8
123.04408	2.3
123.08077	6.9
123.11713	6.0
125.06008	1.2
125.09668	2.8
127.03939	13.0
128.06250	3.7
129.05504	2.7
129.07018	17.9
130.07808	0.9
131.04955	1.2
131.08583	29.9
133.06500	5.3
133.10144	23.1
135.04416	1.1
135.08101	3.4
135.11700	11.9
137.06023	1.6
137.09625	3.8
139.11192	1.3
141.06996	3.1
142.07834	3.7
143.08571	8.1
144.09322	1.1
145.06500	2.8
145.10136	14.5
147.04478	1.3
147.08067	6.3
147.11700	25.6
149.06006	1.7
149.09697	8.1
149.13266	5.6
151.11256	2.1
153.12744	2.8
154.23108	0.9
155.08589	5.6
157.06532	1.7
157.10143	19.5
158.10962	1.0
159.08107	2.6
159.11694	10.5
161.05963	1.2
161.09683	2.5
161.13272	5.9
163.07562	1.1
163.11211	6.5
163.14838	2.1
165.07014	1.1
165.12784	4.5
167.08626	3.0
169.10176	5.3
171.08096	2.8
171.11719	7.1
173.04535	5.8
173.09563	2.3
173.13275	7.1
174.82515	0.9
175.11195	14.9
175.14893	2.4
177.12798	2.3
179.08559	1.1
179.14372	1.1
181.10114	3.1
181.12299	3.6
183.11652	5.3
185.09604	1.4
185.13290	5.3
187.11266	2.6
187.14941	2.9
189.12811	1.7
191.10715	4.2
193.10413	1.8
193.12253	40.8
195.11772	2.0
197.09552	1.1
197.13324	2.5
199.11185	1.7
199.14876	2.1
201.12811	1.8
201.16396	1.8
202.17123	1.0
205.12135	1.4
207.11769	1.3
209.13332	2.3
211.13292	56.4
213.12903	2.1
215.14462	1.1
219.17615	1.1
221.13310	1.0
223.11203	1.3
223.14978	2.1
225.12856	1.1
227.12708	5.6
229.14293	1.6
231.13937	1.1
235.11076	1.1
235.13362	1.0
243.21149	1.5
245.15648	1.0
249.14713	1.3
259.20645	2.1
261.22116	6.4
267.15903	10.5
271.20377	1.0
273.14944	2.0
273.22195	1.5
278.57956	1.0
283.15436	1.8
285.16953	11.6
289.21631	1.5
294.97562	1.0
301.14389	1.7
301.21695	3.7
303.23535	1.3
303.60989	1.0
315.23212	2.4
317.17773	1.0
317.24731	1.8
319.15320	1.5
327.23111	1.5
331.19321	1.0
335.25842	14.7
337.16611	1.9
339.23279	1.7
341.24927	1.5
351.23322	5.0
355.17490	7.8
363.25803	1.4
369.24313	8.8
387.25232	5.1
393.18961	1.3
393.26563	1.1
405.26425	3.3
411.20120	6.3
425.26755	1.5
443.27917	4.9
461.29047	4.9
471.34546	1.2
479.29391	1.0
527.37415	14.0
543.36700	1.3
545.38373	10.5
635.39459	2.1
653.40466	7.4
671.41547	10.5
689.42627	88.8
690.43005	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52618	1.7
53.03950	14.5
55.01867	6.6
55.05510	34.3
57.03438	15.7
57.07069	3.9
59.23808	1.5
65.03949	4.3
67.05505	83.6
69.03428	32.9
69.07072	17.5
70.79002	4.8
71.04988	10.2
73.02895	2.8
79.05494	71.8
81.03416	97.3
81.07056	72.1
82.07354	1.9
83.04980	20.5
83.08633	25.1
85.02900	23.3
85.06535	3.1
87.04478	4.8
91.05486	68.5
91.47675	1.9
93.07043	64.2
93.07629	3.1
95.04973	36.6
95.08610	43.8
97.02898	17.1
97.06547	7.8
97.10180	8.1
99.04461	6.9
105.07034	54.5
107.04942	8.6
107.08598	32.4
109.02880	16.0
109.06538	7.0
109.10151	19.9
111.04454	16.9
111.08061	12.0
113.06004	2.4
115.05467	5.6
117.07035	17.8
119.04894	2.3
119.08582	42.4
121.06536	6.0
121.10143	24.2
123.04468	3.1
123.08109	2.6
123.11726	7.7
125.09591	4.7
127.03900	9.8
128.06262	2.8
129.05544	2.8
129.07005	18.9
131.08577	27.2
133.06517	6.9
133.10159	24.7
135.08046	4.8
135.11720	15.8
137.09612	2.7
141.07005	5.1
142.07814	5.9
143.08586	9.7
145.06531	7.9
145.10121	19.8
146.49394	1.7
147.08063	7.9
147.11685	30.5
149.09593	11.1
149.13266	6.4
153.12762	3.4
155.08557	6.0
157.10118	19.7
159.08095	5.4
159.11694	12.2
161.09668	3.3
161.13254	6.8
163.11206	8.2
165.05565	1.9
165.12793	8.4
169.10132	6.2
171.08070	2.4
171.11714	7.5
173.04521	5.2
173.09659	5.0
173.11963	2.1
173.13324	8.3
175.11198	13.8
175.14810	2.4
181.10138	3.8
181.12239	2.9
183.11778	4.7
185.13251	4.0
187.11247	2.2
187.14938	2.8
189.12813	2.5
191.10703	5.0
193.10582	1.9
193.12244	38.2
193.13879	3.4
195.11714	3.7
197.13374	4.5
199.11234	3.4
199.14886	2.9
207.11884	1.9
211.13268	63.1
221.60527	1.8
225.12967	3.1
227.12674	4.5
229.14433	4.1
243.14026	1.9
243.20976	2.5
259.20755	3.5
261.22141	4.4
267.15924	13.9
273.14816	3.0
273.22223	2.6
277.21631	2.6
283.15323	2.2
285.16962	14.1
301.21762	5.2
313.16595	2.3
315.23380	2.6
319.15503	2.7
319.22769	2.7
323.23956	2.0
327.23230	2.3
335.25864	14.7
337.16580	4.6
341.24817	2.1
351.23334	6.4
355.17697	6.7
357.24466	2.3
359.09189	1.9
369.24112	14.9
387.25500	7.3
405.26520	4.5
406.18649	1.8
411.20279	4.9
425.26791	2.7
443.27924	6.4
446.20294	2.1
451.21478	2.0
461.29089	7.4
479.30115	2.3
527.37488	11.2
545.38342	10.8
567.52783	2.2
569.38153	3.5
579.40051	1.8
635.39856	3.1
641.40912	3.0
653.40326	14.6
671.41412	16.2
689.42603	100.0
690.42932	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01871	8.1
55.05514	17.3
56.96559	15.5
57.03436	5.9
57.07070	6.6
61.02934	4.1
65.03954	2.3
67.05505	32.2
69.03428	26.9
69.07072	20.9
71.05010	4.5
71.54579	3.0
73.02916	7.1
79.05490	23.6
81.03416	29.0
81.07056	57.6
81.07522	3.3
83.04977	5.2
83.08648	11.1
83.09144	2.2
84.96045	3.9
85.02905	50.2
87.00842	18.6
91.05473	30.3
93.07043	55.0
95.04974	8.5
95.08607	100.0
97.02892	17.2
97.06518	2.7
97.10168	10.1
98.97584	65.5
98.98194	4.9
99.04469	10.6
103.05481	2.6
105.01884	15.7
105.07032	63.2
107.08590	67.9
109.02876	23.2
109.06532	3.4
109.10155	60.8
110.97567	25.1
111.08103	2.6
111.11772	2.7
112.99142	7.7
115.05474	3.0
116.98590	17.2
117.07035	19.3
119.08580	70.1
121.10145	58.0
123.11710	21.0
124.99133	8.5
125.09637	2.5
127.03902	31.5
128.98611	22.1
129.01816	4.0
129.07053	6.6
131.00154	5.3
131.08559	31.6
133.10129	49.2
135.11687	44.8
137.09666	3.9
137.13249	12.6
140.98651	4.2
142.07809	2.6
143.00183	18.0
143.08580	11.8
144.09380	5.2
144.98131	4.9
145.04979	10.1
145.10123	56.5
146.99683	6.3
147.11702	42.5
149.01195	3.0
149.13263	35.5
149.14378	3.5
152.98627	6.4
156.98105	5.0
157.10129	13.4
158.99669	25.9
159.02902	13.0
159.11691	46.6
161.01227	13.5
161.13249	37.6
163.11227	5.2
163.14833	21.3
170.99648	37.7
171.01054	3.2
171.11671	17.5
173.01237	5.6
173.13274	24.5
174.99159	6.6
175.14842	29.3
177.00708	21.2
177.16388	17.7
179.14354	4.9
182.99640	3.4
183.11765	3.1
185.01263	9.3
185.13176	11.6
187.14824	47.6
187.16441	3.5
189.00691	38.9
189.16406	34.3
191.17953	32.3
193.15961	3.4
194.99593	3.9
197.13350	3.4
198.99193	3.2
199.02890	2.9
199.14896	9.5
201.00725	7.2
201.16422	19.9
203.02260	2.6
203.17946	35.8
205.15887	93.2
205.19482	5.3
207.01762	3.9
207.17419	5.7
213.00754	7.9
213.03915	2.6
213.16458	7.9
215.17955	36.9
215.19885	3.0
217.15996	2.6
217.19562	12.0
219.01828	16.6
219.17509	8.1
219.20911	2.6
225.16603	2.6
227.17992	8.6
229.19505	19.1
231.01772	15.1
231.04988	7.8
231.21173	7.2
233.19002	40.4
237.02785	12.3
239.17809	5.0
241.19562	4.8
243.01709	3.3
243.21249	11.6
249.02768	11.6
255.21089	33.5
257.22751	4.0
261.02899	13.4
261.22195	3.5
267.03687	2.9
267.21182	4.5
269.22607	10.7
273.22104	32.7
279.03818	29.2
280.04279	2.9
281.22751	5.5
283.24292	4.2
285.22415	3.2
287.23813	4.3
291.00909	2.2
291.03812	15.3
293.01978	4.3
295.24216	5.2
297.25601	3.3
301.02267	14.1
302.05664	2.9
309.25851	7.1
319.03439	10.1
324.03677	2.8
327.26840	3.3
333.05188	2.9
335.02838	9.7
342.04999	2.7
351.05933	11.5
369.07004	2.9
377.03879	10.8
393.07288	3.3
393.35181	6.1
395.04767	3.1
395.36700	4.1
405.35172	43.4
411.08112	10.3
423.36234	77.2
469.08188	2.8
527.09094	4.2
591.62140	2.9
599.11749	3.7
671.41766	13.2
689.14496	99.7
689.40948	11.0
690.15027	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	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01867	4.1
55.05513	11.8
55.52422	0.9
57.03442	9.1
59.05008	1.4
61.02922	3.8
61.08339	0.9
65.03911	1.1
67.05505	13.3
69.03437	2.8
69.07066	4.7
70.92928	2.5
71.04991	4.2
76.90572	0.9
78.42913	1.0
79.05490	19.6
81.03418	39.2
81.07059	17.7
83.01340	3.9
83.04990	12.6
83.08618	15.6
85.02448	1.0
85.02912	15.5
85.06532	1.3
87.09834	0.9
91.03944	1.7
91.05478	18.6
93.07040	19.1
95.04971	16.6
95.08596	7.1
97.02902	4.5
97.06538	3.4
97.10190	1.4
99.04449	1.8
105.07040	12.7
107.04951	7.2
107.08601	8.8
109.06509	6.5
109.10152	2.9
111.04456	3.3
111.08073	4.8
117.07030	3.7
119.08573	14.2
121.06503	2.8
121.10136	9.0
123.08077	5.4
123.11705	1.0
129.06987	5.5
131.08591	9.2
133.10129	5.9
135.08044	1.1
135.11700	5.6
137.09604	1.6
142.07840	1.3
145.10127	9.1
147.08063	2.4
147.11687	7.5
149.09604	5.1
153.12714	1.8
157.10126	7.5
163.11180	12.1
173.09723	1.5
175.11171	7.9
181.12280	2.0
186.36943	1.1
191.10709	2.2
193.12248	26.1
209.11784	3.5
211.13298	39.8
227.12833	2.1
227.70833	1.4
245.84700	1.1
248.76459	1.0
267.15848	10.3
283.15393	42.4
285.16962	35.0
350.33890	1.1
383.22089	2.6
457.25653	3.5
475.26917	16.3
493.27982	100.0
494.28281	2.7
519.65710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01880	3.7
55.05511	11.5
56.49156	0.5
57.03443	8.2
59.04982	0.8
61.02928	2.6
67.05507	14.0
69.03441	2.9
69.06795	0.5
69.07075	5.7
71.04997	4.0
73.02902	1.4
74.18907	0.5
77.03906	0.4
79.05495	20.6
81.03420	31.7
81.06590	1.0
81.07061	19.9
83.01332	1.2
83.04979	9.6
83.08150	1.0
83.08624	14.5
83.09107	0.7
85.02912	13.4
85.06547	1.0
91.04903	0.6
91.05485	14.9
93.07047	25.4
95.04975	15.6
95.08611	20.3
97.02907	4.7
97.06543	4.1
97.10154	2.3
98.97586	1.1
99.04446	2.1
101.35117	0.5
103.05482	0.6
105.07034	12.7
107.04956	7.2
107.08599	17.6
109.06508	3.7
109.10152	2.9
111.04447	2.0
111.08090	4.3
113.06002	1.4
115.05449	0.9
117.07010	5.8
119.08589	14.4
121.06503	3.4
121.09323	0.8
121.10154	11.0
123.08069	2.1
123.11653	0.9
125.05996	1.8
125.09624	0.7
126.58910	0.5
128.06206	0.5
129.06987	4.4
130.07794	0.9
131.08580	6.0
133.06499	1.6
133.10127	7.1
135.08063	1.0
135.11694	26.3
137.09636	0.8
139.07520	0.9
142.07735	1.3
143.00130	0.7
143.08543	0.6
145.10127	15.5
147.08038	2.1
147.11690	7.6
149.09639	2.7
153.12672	1.2
157.10129	6.4
163.11185	33.0
165.12711	1.8
173.09587	0.9
175.11183	7.4
181.12225	6.8
191.10753	0.8
193.12250	19.7
209.11836	1.7
211.13309	27.0
219.01799	1.1
227.12791	36.9
237.02792	0.7
267.15927	22.4
268.16254	0.6
279.03970	1.5
283.15408	49.8
284.15787	1.2
285.16974	40.4
286.17032	0.6
301.16473	1.2
334.87640	0.5
341.63474	0.5
411.97873	0.6
457.25577	1.0
471.01465	0.5
475.26910	25.2
476.27295	1.1
493.27979	100.0
494.28897	2.4
647.05530	0.6
690.14819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.05507	6.7
57.03440	12.6
57.07078	18.7
57.07341	0.8
59.92786	0.5
60.08149	0.6
61.02894	1.8
64.90990	0.5
65.03914	0.9
65.07531	0.5
67.05505	22.5
69.03419	1.3
69.07072	8.4
71.01322	1.7
71.04990	2.5
71.08635	14.2
79.05494	19.3
81.03386	2.4
81.07064	17.4
83.04977	4.4
83.08620	6.2
85.02873	2.0
85.06519	2.0
85.10183	7.1
86.09681	1.5
89.06002	1.1
91.03913	1.4
91.04984	0.5
91.05484	7.1
93.07045	23.5
95.04930	1.6
95.08608	12.9
97.02862	1.1
97.06535	5.7
97.10178	8.7
99.08054	0.9
99.11687	0.6
105.06998	2.0
107.04926	0.8
107.08601	15.4
109.06480	0.7
109.10152	8.1
111.08076	1.1
111.11700	1.0
117.06997	2.2
119.08593	3.5
121.06490	0.7
121.10133	3.7
123.11674	1.7
124.99966	0.8
125.09589	1.4
133.10112	1.9
135.11696	31.8
136.11983	0.6
137.09561	0.8
137.13222	1.0
145.10130	5.4
148.81694	0.6
153.12735	1.5
163.11172	4.6
181.12224	7.4
184.07356	5.9
199.13362	0.8
239.23537	0.9
255.15916	100.0
256.16327	1.4
257.24670	1.5
313.27374	44.6
314.27652	0.8
412.87985	0.6
493.38907	76.4
494.39120	1.6
690.47223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01863	1.3
55.05497	2.5
57.03423	2.4
58.23376	0.6
61.02925	4.5
67.05507	5.0
69.03415	2.5
69.07059	1.9
71.01365	0.8
71.05000	1.0
71.48753	0.6
73.02909	3.2
76.69697	0.6
79.05486	4.7
81.03405	4.2
81.07053	6.4
83.04976	2.9
83.08617	1.9
85.02905	6.0
87.54961	0.6
90.58259	0.6
91.03955	3.1
91.05489	5.0
91.98850	0.6
93.07055	6.3
94.20994	0.6
95.04958	2.4
95.08595	4.1
95.94518	0.6
97.02906	4.9
97.06543	0.8
99.04477	0.8
101.02396	1.7
105.07026	2.2
107.04957	1.5
107.08577	4.3
109.02850	1.7
109.06512	1.0
109.10151	1.9
115.03836	0.9
117.07044	1.7
119.08575	2.6
121.10136	2.2
123.11688	0.7
127.03906	1.4
129.06987	1.1
131.08556	1.6
133.10136	1.8
135.11713	2.0
145.10147	1.9
147.11722	1.7
159.16699	0.6
161.13287	0.7
163.11221	2.9
165.09026	0.7
171.11639	0.9
191.10643	0.8
209.11775	0.9
211.13344	0.6
243.08430	1.8
247.13095	1.2
269.17596	2.1
283.15533	2.1
285.34979	0.6
316.46024	0.7
406.20093	0.6
465.21051	4.5
467.18988	10.1
691.32928	100.0
692.33093	3.8
719.31293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01869	0.5
55.05517	2.0
57.03441	2.5
57.07075	0.3
59.05000	0.3
61.02926	5.4
65.03915	0.3
67.05505	10.8
69.03430	4.7
69.07069	1.8
70.00336	0.3
71.01379	0.3
71.04979	0.8
73.02916	3.7
79.05496	4.1
81.03423	4.4
81.07061	7.0
82.57330	0.3
83.04992	0.9
83.08626	1.0
85.02903	4.7
85.06550	0.3
87.04459	0.4
91.03958	3.6
91.05483	3.0
93.07045	4.6
95.04963	0.8
95.08610	4.4
97.02897	5.4
97.06541	0.9
97.10171	0.3
99.04455	1.3
101.02393	1.6
105.07021	2.3
107.08593	2.5
109.02896	1.9
109.10153	5.8
109.10836	0.5
111.04415	0.3
111.08131	0.7
115.03909	0.4
117.07011	0.7
119.08585	1.9
121.10155	2.2
123.11723	0.7
127.03915	2.0
129.05470	0.4
131.08592	1.3
133.10133	1.4
135.11705	1.1
137.09605	0.5
141.79547	0.3
142.40675	0.3
145.04947	0.6
145.10130	0.7
147.11720	1.0
149.13313	0.7
155.10658	0.4
157.10133	0.7
159.11710	0.5
161.13237	0.4
171.11784	0.4
173.09720	0.3
173.11742	1.1
173.13231	0.5
181.12230	0.4
184.07333	0.4
185.04282	0.8
193.12248	1.3
195.10023	0.9
203.05357	0.4
207.11000	0.3
211.13332	1.7
229.14413	0.7
243.08440	1.8
335.25830	0.8
337.27365	0.6
352.13449	0.3
353.91537	0.3
355.17734	0.5
393.19867	0.3
413.17838	4.4
460.18045	0.3
519.29279	7.2
529.38965	0.5
547.40112	0.5
550.41705	0.4
673.42633	0.5
691.40253	100.0
692.40283	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01868	0.6
55.05507	1.8
57.03440	2.3
57.07082	0.3
61.02641	0.4
61.02927	5.0
65.03938	0.5
67.05508	9.2
69.03432	3.5
69.07068	1.2
71.01331	0.4
71.04975	0.7
73.02920	4.1
79.05495	3.2
81.03412	3.0
81.07062	6.0
83.04982	0.6
83.08630	1.4
85.02427	0.5
85.02907	5.7
85.06543	0.6
87.04453	0.5
91.03949	3.6
91.05499	2.2
92.37537	0.2
93.07045	3.7
95.04967	0.5
95.08605	3.7
97.02888	4.5
97.06533	0.5
97.10162	0.4
99.04457	1.0
101.02386	2.1
103.03902	0.5
105.07035	1.5
105.48553	0.3
107.04980	0.3
107.08599	1.4
109.02872	1.1
109.06477	0.4
109.10161	8.5
111.04431	0.4
111.08100	0.6
112.05012	0.2
115.03942	0.4
117.07029	0.4
119.08578	1.8
121.10146	1.8
123.11690	0.3
127.03898	1.6
129.05519	0.5
131.08571	0.7
132.21574	0.2
133.10149	0.8
135.11694	0.8
137.09622	0.6
138.20439	0.3
145.04953	0.5
145.10159	0.5
147.11710	0.6
149.13287	0.6
155.10690	0.9
157.10080	0.3
159.11688	0.3
173.11731	2.4
175.11086	0.4
175.82246	0.3
184.07336	0.7
185.04213	0.6
193.12282	0.4
195.10049	0.7
211.13274	0.5
229.12375	0.3
229.14302	1.3
229.42900	0.3
243.08440	2.4
335.25800	0.7
360.01630	0.3
360.59540	0.3
413.17841	9.6
440.02014	0.3
519.29358	5.3
519.36896	0.4
539.03107	0.3
550.41980	0.3
626.60193	0.3
673.43268	0.4
691.40247	100.0
692.40442	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
55.05262	1.2
55.05516	14.3
57.03439	14.1
59.05004	1.1
61.02924	2.2
65.03954	0.6
66.82317	0.5
67.05509	21.1
69.03429	5.3
69.07076	6.4
71.01365	0.7
71.04996	5.4
73.02936	1.0
73.91384	0.6
79.05498	22.9
79.76845	0.5
81.03422	77.0
81.07061	27.9
83.04987	15.9
83.08622	25.1
85.02914	30.9
85.03429	1.6
85.06570	2.8
86.09717	2.0
91.03944	1.9
91.05488	31.5
93.07054	16.8
95.04975	32.9
95.08607	9.4
97.02898	4.3
97.06539	4.0
97.10167	3.7
98.21629	1.1
99.04490	0.9
99.08099	1.5
105.07040	21.4
107.04960	5.8
107.08607	7.5
109.06523	5.4
109.10146	2.6
111.04437	2.9
111.08088	12.1
113.05997	3.4
115.05482	1.6
117.07043	2.0
119.04948	0.9
119.08589	22.1
119.09442	1.1
121.06496	2.0
121.10149	10.7
123.08078	3.2
123.11716	1.9
125.00032	1.1
125.09621	2.9
127.07594	1.0
128.06261	0.7
129.07016	12.3
131.08582	14.2
133.06549	3.2
133.10132	14.0
133.11082	1.0
135.08063	1.0
135.11743	1.1
137.09618	2.3
137.13316	0.7
142.07813	1.9
145.10138	1.7
147.08086	3.1
147.11699	18.2
149.09612	7.1
151.11232	1.1
157.10141	16.8
163.11238	1.2
165.12759	4.9
175.11185	22.0
184.07370	8.5
193.12259	56.3
211.13306	76.4
212.13687	1.2
227.12874	0.7
267.15930	33.1
285.16977	72.3
286.17307	1.6
317.96652	0.6
355.17615	0.6
367.22836	1.4
385.23868	3.8
403.24548	0.8
433.25500	0.8
441.26443	1.6
459.27441	29.5
477.28519	37.1
478.28690	1.2
495.29559	100.0
496.29871	2.8
549.74493	0.7
639.33472	1.9
692.40546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79346	0.7
55.01876	2.4
55.05513	11.3
57.03442	11.5
59.04993	0.7
61.02923	3.3
65.03934	1.1
65.72926	0.7
67.05506	19.6
67.05836	1.6
69.03431	2.9
69.07069	6.0
71.04985	4.3
73.02913	1.3
74.33393	0.7
79.05500	22.4
80.26088	0.8
81.03424	71.3
81.07063	23.4
81.53220	0.8
83.04986	14.7
83.08146	1.7
83.08626	25.3
85.02911	26.0
85.03445	1.3
85.06552	1.6
91.05486	30.6
93.07053	14.5
95.04976	27.7
95.08610	7.7
95.74423	0.8
96.47331	0.7
97.02907	5.2
97.06541	3.6
97.10161	5.1
101.06046	0.8
105.07037	20.6
107.04965	6.7
107.08591	7.4
109.06536	4.3
109.10195	1.9
111.04451	2.3
111.08098	12.2
113.06022	3.5
115.05460	1.8
116.47547	0.9
117.07021	1.7
119.04974	1.2
119.08585	18.0
121.06544	1.5
121.10155	7.8
123.08097	2.0
123.11701	1.8
125.09649	1.9
127.07513	1.3
129.07016	11.1
131.08572	9.6
133.06541	2.4
133.10155	9.4
137.90446	0.8
142.07825	2.6
145.10129	1.6
147.08055	3.0
147.11699	17.3
149.09628	6.3
151.11119	0.9
157.10161	16.1
163.11212	1.1
165.12759	3.3
175.11205	16.7
175.12569	1.5
193.12251	51.7
211.13309	98.5
249.14896	1.4
267.15945	40.0
285.16980	100.0
286.17465	1.1
294.18561	0.8
349.21475	1.0
367.22702	3.9
385.23804	4.0
403.24872	1.1
433.25604	1.9
441.26611	1.3
459.27460	27.9
477.28546	29.3
478.28564	1.0
495.29578	89.6
496.29745	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01871	11.5
55.05271	2.3
55.05515	29.7
56.13236	1.3
57.03439	19.4
57.07055	2.7
59.04988	1.7
61.02931	7.0
65.03944	2.6
67.05508	67.7
69.03416	8.2
69.07076	21.0
71.03455	3.3
71.05003	7.1
73.02905	4.6
77.03902	1.2
79.05497	46.7
81.03421	19.4
81.07063	72.4
82.04180	2.6
83.04979	14.2
83.08618	19.0
85.02901	10.3
85.06534	4.3
91.03983	2.4
91.05485	29.5
91.51342	1.3
93.07047	52.0
95.04975	13.6
95.08070	1.7
95.08612	22.3
97.02901	6.4
97.06548	13.4
97.10153	13.9
98.07316	4.6
99.04457	2.2
99.08096	2.7
101.06001	1.6
101.75968	1.4
105.04533	1.6
105.07040	15.8
107.04942	4.9
107.08600	31.8
109.02872	2.0
109.06531	4.3
109.10147	16.1
111.04438	2.2
111.08102	8.3
115.03741	1.4
116.04710	6.9
117.07033	9.4
119.05981	1.4
119.08610	9.6
121.06505	2.0
121.10155	18.7
123.08053	5.5
123.11707	3.3
125.09641	12.6
127.03919	2.5
129.05489	19.6
129.06996	4.3
131.08598	11.2
133.10143	14.6
135.08032	4.3
135.11708	13.8
137.09653	1.9
143.07018	3.2
143.08566	1.8
143.10623	2.1
145.10123	4.0
147.08051	1.6
147.11673	5.6
149.09616	3.1
149.13272	21.7
153.09106	2.1
153.12749	1.6
155.08554	2.5
155.10645	2.1
157.08597	9.6
157.09947	2.9
159.11694	11.1
163.11176	7.5
165.12747	2.5
171.06462	2.5
171.10248	3.3
173.11684	3.4
175.11137	3.6
177.12724	6.1
181.12207	2.8
184.07277	2.4
189.11223	3.5
191.10698	2.9
193.12242	6.6
195.13789	15.2
199.13280	13.6
209.11739	6.4
211.13293	6.0
227.12749	9.9
229.14267	3.6
255.15894	2.1
265.14417	2.2
267.16049	8.5
269.17490	85.5
283.15381	14.5
285.16956	4.1
301.16449	49.1
323.18509	4.2
351.21051	1.4
392.42679	1.5
393.26273	8.3
411.27551	17.2
423.27438	35.2
449.28769	1.5
459.27460	4.3
461.29089	6.4
477.28577	23.4
478.29196	8.1
495.29565	100.0
496.29730	2.7
578.86658	1.7
621.32007	1.8
639.33234	5.2
706.50073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01872	15.3
55.05264	1.8
55.05512	27.7
57.03152	1.3
57.03434	23.8
57.07069	4.7
59.04977	2.1
61.02925	9.5
65.03953	3.2
67.05505	65.5
69.03435	6.7
69.07072	21.5
70.46991	2.3
70.47353	2.4
71.05005	5.9
73.02926	6.4
79.05496	48.5
81.03417	20.6
81.07056	78.0
82.04208	3.9
83.04985	16.0
83.08619	19.2
84.02123	1.5
85.02919	10.6
85.06537	5.1
91.03940	4.2
91.05482	36.5
93.07042	53.9
95.04971	17.6
95.08611	21.2
97.02899	9.3
97.06532	13.6
97.10174	13.6
98.07314	5.7
99.04473	1.6
99.08068	3.1
99.43877	1.2
105.04522	1.7
105.07038	14.4
107.04949	4.6
107.08593	31.9
109.06512	3.3
109.10154	15.3
111.04435	2.9
111.08091	7.4
116.04702	14.1
117.07019	12.4
119.08574	10.9
121.06497	4.1
121.10140	15.6
123.08034	5.8
123.11707	5.0
125.09631	18.0
129.05484	36.0
129.06998	4.4
131.08572	11.9
133.10133	20.6
135.08047	5.0
135.11658	14.0
136.08855	1.4
137.09680	1.2
143.07057	8.3
143.10732	1.5
145.10141	3.4
147.08044	1.5
147.11661	5.3
149.09621	3.4
149.13251	19.3
151.11180	2.7
153.09106	3.3
153.12741	1.2
157.08588	14.2
157.10118	3.6
158.05717	1.6
159.11679	10.6
161.13306	1.0
163.11192	7.6
171.06531	4.8
171.10162	5.3
171.82143	1.2
173.09615	1.7
173.11754	3.0
175.11185	4.2
177.12718	5.7
181.12260	2.3
189.11281	6.0
191.10689	2.6
193.12234	6.3
195.13792	20.4
199.13298	18.0
200.14053	1.9
209.11707	7.1
210.12787	1.3
211.13277	5.4
213.14859	3.9
227.12766	10.7
228.85710	1.1
229.14368	3.3
244.17220	1.1
251.16344	1.4
255.16013	3.3
267.15948	8.5
269.17471	80.5
270.17627	1.4
283.15369	12.7
285.16782	2.0
301.16458	75.5
323.18594	4.0
351.21573	1.3
378.51956	1.3
393.26343	4.8
411.27386	14.5
423.27444	32.8
424.28073	1.4
461.28836	4.9
477.28580	16.2
478.29126	5.2
495.29526	100.0
496.29825	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01871	7.0
55.05510	36.2
57.03150	1.4
57.03430	21.2
57.07057	1.7
59.04989	3.2
61.02922	8.2
65.03922	3.0
67.05506	100.0
69.03429	6.1
69.07072	19.2
69.37032	2.8
69.37448	4.7
71.01340	2.2
71.04984	6.5
73.02915	6.2
79.05495	40.6
81.02972	1.4
81.03417	14.3
81.07058	78.0
83.01332	1.7
83.04985	10.4
83.08152	1.7
83.08617	23.6
85.02426	1.4
85.02905	19.2
85.06549	5.0
87.04451	5.3
91.03950	3.0
91.05480	29.8
93.07047	51.5
95.04979	8.7
95.08060	1.4
95.08613	20.1
97.02892	8.7
97.06533	14.1
97.10173	18.4
99.04443	1.9
99.08061	2.5
99.87344	1.1
103.03922	1.3
105.07034	12.6
107.04955	3.1
107.08596	30.4
109.06517	5.7
109.10157	61.9
109.87582	1.2
111.04446	1.6
111.08083	7.4
116.04728	1.2
117.07011	10.4
119.08576	11.4
121.06499	3.8
121.10135	11.0
123.08068	2.5
123.11677	4.1
125.09620	17.7
127.03920	1.3
129.05484	6.1
129.07014	3.1
131.08557	9.9
132.60431	1.0
133.06508	1.2
133.10135	15.7
135.08029	1.4
135.11687	10.6
137.09601	3.7
143.07028	1.6
143.10658	2.0
145.10098	5.8
147.08051	1.7
147.11658	3.8
149.09618	1.6
149.13271	10.9
151.11163	1.5
153.12750	3.9
155.10654	5.1
159.11667	8.7
163.11171	8.8
165.12793	2.5
173.09595	2.2
173.11755	15.3
175.11171	1.5
177.12759	5.1
181.12195	2.9
185.11737	2.0
191.10681	2.2
193.12285	5.8
195.13803	14.7
199.13268	8.4
209.11731	8.8
211.13277	5.0
213.14798	1.5
223.11717	0.9
227.12738	9.2
229.14355	57.2
239.16383	3.2
257.13901	2.8
267.15900	10.8
269.17468	65.6
283.15500	6.8
285.16833	1.7
297.16776	1.1
301.16495	19.4
357.23972	1.4
393.26294	2.4
411.27472	6.9
423.27451	37.5
424.27606	1.2
431.28003	1.2
449.28976	3.0
459.27365	1.3
477.28384	3.1
495.29544	68.0
496.29626	1.6
513.23615	1.9
513.30609	28.4
514.30530	1.1
539.25574	1.1
693.33179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
52.93306	0.6
53.03937	1.8
54.61356	0.5
55.01873	3.0
55.05265	1.1
55.05518	16.1
57.03433	8.3
57.07073	2.3
59.04998	1.6
61.02930	4.7
62.49067	0.5
62.61451	0.5
65.03954	2.3
67.05508	73.8
69.03435	1.7
69.07072	16.5
71.01355	0.7
71.04993	17.9
71.08645	0.6
73.02928	2.4
73.06618	0.6
79.05495	28.6
81.03429	5.2
81.07060	92.4
83.04982	6.5
83.08620	15.9
85.02900	6.2
85.06544	8.4
87.04462	1.3
91.03957	1.2
91.05482	25.0
93.07046	44.5
95.04972	4.5
95.08614	17.3
97.02905	3.4
97.06532	10.1
97.10175	4.7
99.08114	3.1
103.03980	0.7
105.07027	9.8
107.04964	2.0
107.08596	25.5
109.06522	3.2
109.10163	19.0
111.08081	5.9
113.06025	0.7
113.09676	0.9
113.37293	0.6
116.04708	0.8
117.07034	7.3
119.08573	5.1
121.06503	1.8
121.10140	15.1
123.08062	1.1
123.11708	8.6
125.09641	3.7
127.03909	1.2
127.07527	0.8
129.05501	1.6
131.08583	7.8
133.10143	15.5
135.08054	2.0
135.11684	8.9
137.09641	1.3
139.11211	1.4
145.10114	1.1
147.08107	0.6
147.11664	1.8
149.09666	1.2
149.13268	23.4
151.11188	6.5
153.12752	1.1
155.10648	0.7
157.10185	0.6
159.11699	11.1
163.11227	2.3
165.09013	0.7
165.12750	1.4
167.14108	0.7
169.12320	1.0
171.11932	0.5
173.11766	4.4
173.13089	0.9
177.12785	5.2
183.13882	1.8
187.13324	2.6
193.12227	1.3
195.13797	10.4
199.13338	1.5
209.11795	1.7
213.14839	1.3
225.14978	0.8
227.12804	2.4
229.14366	15.9
251.16315	0.7
257.17349	1.0
261.55807	0.6
267.15857	2.9
269.17493	35.9
283.15356	1.7
301.16556	4.6
301.20132	7.7
336.88913	0.6
389.05841	0.6
393.26328	0.8
411.27560	1.8
423.27518	12.0
437.22769	1.2
437.29007	36.7
451.30557	5.5
463.30566	100.0
464.30643	2.4
477.28244	1.3
493.11707	0.6
495.33871	30.4
513.30566	5.5
636.80084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78766	0.4
60.28550	0.3
70.79295	0.6
70.79633	0.8
85.02921	0.5
111.04217	1.2
138.52840	0.4
189.05226	29.8
190.05954	3.5
277.10309	0.5
282.12772	0.4
356.12265	0.4
429.15280	3.4
430.15845	0.7
444.17630	3.2
445.18341	27.5
473.18219	0.7
532.63776	0.5
562.69403	0.4
607.24005	2.1
649.24713	16.4
693.23602	100.0
694.24225	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	693.309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53683	0.5
53.03942	0.9
55.01866	1.6
55.05527	2.4
57.03438	3.3
59.05009	0.5
61.02929	5.6
67.05499	6.0
68.05833	0.8
69.03422	2.6
69.07059	1.4
71.01342	0.5
71.04993	0.9
71.53853	0.5
73.02910	3.9
74.82755	0.5
79.05495	3.9
81.03420	4.2
81.07055	6.3
82.07422	0.8
83.01302	1.0
83.04980	2.1
83.08613	2.7
85.02903	5.9
85.06575	0.5
91.03939	3.4
91.05489	3.8
92.05818	0.5
93.07042	5.8
95.04993	2.3
95.08575	2.3
97.02903	3.8
97.06535	1.4
97.10140	0.6
99.04443	1.1
101.02380	1.8
103.03943	0.7
105.07037	2.1
107.04967	1.7
107.08613	3.7
108.08871	0.5
109.02897	0.9
109.06527	1.3
109.10178	2.1
111.04449	1.0
111.08160	0.6
115.03953	0.7
116.34917	0.5
117.06989	0.8
119.08598	1.6
120.44203	0.4
121.10152	1.8
123.08090	1.3
127.03931	2.2
129.05501	1.1
129.06987	0.5
131.08566	1.5
133.10179	1.6
135.11711	2.9
137.09566	0.5
145.10094	2.6
147.11745	0.8
149.13249	0.9
163.11179	4.4
175.11211	0.5
199.13391	0.5
208.69214	0.5
209.11847	1.1
227.12842	0.6
243.08385	2.4
249.11015	0.7
267.09012	0.5
269.17462	2.7
270.17914	1.4
283.15262	2.2
284.15820	0.7
285.10016	0.8
301.16498	1.2
302.16776	0.7
316.16180	0.5
412.27933	0.5
424.27844	0.9
464.27444	0.7
467.18930	13.1
477.29099	1.3
478.28946	2.0
495.29791	1.5
496.29782	3.1
514.66571	0.6
674.03497	0.6
680.27240	0.5
693.30902	100.0
694.31226	3.4
713.91394	0.5
720.26880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01862	1.7
55.05515	4.8
56.96572	0.4
57.03445	3.6
61.02931	5.2
63.45792	0.5
65.03955	0.7
65.36305	0.5
67.05510	10.8
68.05843	1.2
69.03432	3.2
69.07077	2.6
70.07416	0.5
71.01368	0.7
71.04983	1.2
73.02926	2.3
74.81339	0.4
79.05499	11.8
80.05842	1.3
81.03419	6.5
81.07062	12.3
81.58810	0.5
82.03754	1.0
82.04192	0.6
82.07400	1.7
83.04990	3.5
83.08637	3.2
84.08978	0.8
85.02908	5.0
85.06554	0.7
91.03967	2.8
91.05488	8.3
92.05821	0.8
93.07047	9.7
94.07389	1.4
95.04981	3.7
95.08608	5.0
96.05309	0.6
96.08940	0.9
97.02901	4.8
97.06565	2.4
97.10174	1.1
98.10553	0.5
99.04447	1.3
101.02406	1.3
103.03951	0.5
105.07014	4.9
107.04974	2.1
107.08607	4.8
108.08948	0.5
109.02888	1.0
109.06525	1.7
109.10194	2.1
111.04460	0.7
111.08098	1.2
117.07069	1.0
118.07346	0.7
119.08582	3.8
121.06490	1.1
121.10175	2.6
123.08086	1.3
123.11741	0.5
125.09655	1.2
127.03961	1.7
129.05498	1.8
129.07025	1.9
131.08597	2.7
132.08871	0.6
133.10135	3.7
134.10486	0.7
135.08128	0.6
135.11742	2.2
136.12039	0.6
143.07050	0.7
143.08621	0.6
145.10115	2.6
147.08105	0.7
147.11726	3.2
147.42662	0.4
149.09659	1.0
149.13301	1.9
150.13646	0.6
157.10162	0.7
159.11713	1.3
161.09590	0.7
161.13307	0.6
163.11226	1.6
164.11421	0.5
165.09131	0.8
171.10199	0.6
171.11731	1.4
173.09602	0.7
175.11208	0.8
185.11800	0.6
191.10695	0.6
193.12277	2.0
195.13878	1.4
196.14188	0.8
199.13348	1.0
200.13763	0.5
202.49988	0.5
207.13884	0.7
209.11832	1.4
211.13330	1.2
214.65862	0.5
222.38202	0.5
227.12834	0.6
243.08536	2.3
247.13249	1.0
251.12718	1.3
267.08990	0.6
267.15930	0.6
268.16400	0.6
269.17480	4.7
270.17822	3.4
281.17468	0.9
283.15543	1.5
284.15802	1.8
285.10233	1.6
285.16794	0.6
301.16534	3.0
302.16898	2.0
303.15668	0.8
355.15952	0.7
355.66248	0.9
394.26758	0.7
411.27786	0.6
412.28021	0.8
423.27606	0.8
424.27863	2.2
450.29401	0.6
460.27753	0.9
465.21048	10.0
469.20578	5.7
477.28476	1.5
478.28867	5.0
495.29440	2.5
496.29913	8.5
622.32947	1.1
640.34064	1.5
693.34552	100.0
694.35443	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	694.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23475	0.2
55.01875	0.2
55.05508	0.5
56.05033	0.4
57.03429	0.6
58.06589	1.0
59.07390	0.5
60.08164	5.1
61.02934	0.3
67.05502	1.4
69.03432	0.4
69.07072	0.8
70.06603	0.2
70.72515	0.5
71.04980	0.4
71.07371	2.9
75.52720	0.1
79.05486	1.8
81.02988	0.2
81.03421	2.1
81.07061	1.7
82.03746	0.2
83.04979	0.7
83.08614	0.7
85.02911	1.2
85.06530	0.3
86.09705	26.8
87.04482	0.2
91.05489	1.5
93.07043	1.8
95.04966	1.1
95.08597	0.9
97.02888	0.3
97.06528	0.5
97.10175	0.2
98.98460	2.0
99.04484	0.2
104.10745	2.2
105.07036	1.4
107.04938	0.3
107.08590	1.0
109.06502	0.2
109.10173	0.8
111.08058	0.5
119.08584	0.9
121.06483	0.2
121.10139	1.6
121.73248	0.2
123.08079	0.3
125.00005	17.3
125.09676	0.2
127.03934	0.3
129.07001	0.5
131.08560	1.0
133.06496	0.2
133.10103	0.9
135.11693	0.2
137.05945	0.3
143.08453	0.2
145.10104	0.3
147.11691	0.6
149.09631	0.8
157.10153	0.5
161.09653	0.3
162.05513	0.3
163.11176	0.2
167.10686	0.4
175.11168	0.5
179.10626	0.2
184.07339	100.0
185.07687	0.5
193.12224	1.1
211.13272	1.5
212.13602	0.3
222.08862	0.7
224.10445	0.2
253.14127	0.2
267.15887	1.0
285.16965	1.9
286.17133	0.3
287.14899	1.3
354.13202	0.2
378.39291	0.2
435.27390	0.2
439.27325	0.2
447.27246	0.3
453.28464	0.3
461.28839	0.2
466.22125	0.2
477.28717	0.3
479.26556	0.3
479.30850	0.3
497.27246	2.3
509.23898	0.3
514.96875	0.2
631.32617	0.2
676.34277	0.2
694.35229	10.6
695.31818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05515	9.9
57.03441	5.3
57.07056	3.3
61.02930	23.8
65.03932	1.6
67.05504	52.4
69.03431	3.7
69.07069	10.2
69.86266	2.9
71.04983	2.4
71.08625	1.3
73.02922	8.9
75.04487	1.6
79.05492	31.6
81.03418	2.0
81.07058	63.7
82.07372	0.9
83.08624	7.3
85.02905	31.7
85.06534	2.6
86.93455	0.7
91.03960	24.4
91.05479	19.7
93.07046	44.8
95.04967	2.9
95.08607	49.0
97.02901	14.6
97.06516	2.9
97.10165	3.1
99.04446	1.6
99.08079	2.4
99.36789	0.7
105.04491	1.0
105.07029	13.8
107.08594	31.0
109.02866	0.9
109.06499	1.6
109.10159	28.7
111.08051	2.2
113.09625	1.4
115.03901	1.4
116.06226	0.8
117.07013	7.6
119.08589	14.9
121.06399	0.6
121.10146	31.6
123.08051	1.2
123.11707	15.4
125.09634	1.5
127.03905	8.8
131.08574	18.9
133.10136	13.6
135.11687	24.1
137.09596	1.2
137.13263	5.9
139.11174	2.2
143.08554	1.1
145.04961	13.1
145.10132	14.2
147.11699	10.9
149.13255	20.5
151.11209	1.0
151.14874	1.4
153.12732	0.9
154.15099	0.7
159.11700	13.4
161.13246	8.3
163.06015	24.3
163.11151	1.1
163.14810	16.2
165.12741	3.3
173.11876	0.5
173.13271	12.6
175.14851	3.6
177.12767	1.2
177.16371	5.6
179.14229	3.5
187.14812	8.5
189.16318	1.0
191.14291	1.8
193.15802	0.9
195.91542	0.8
201.16359	3.2
205.15839	2.2
215.17955	1.7
219.17503	1.2
233.22643	2.2
243.21071	38.2
244.21255	0.8
261.22141	100.0
262.22455	1.2
263.23679	2.6
279.23193	2.5
283.19250	0.8
325.11072	0.8
335.25812	18.5
353.26859	65.6
354.27118	1.5
497.30954	2.0
507.64294	0.8
623.12653	0.8
670.53473	0.7
694.33350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03949	2.5
55.01882	2.5
55.05270	0.7
55.05517	10.1
57.03446	13.9
57.07072	1.0
61.02941	3.0
65.03935	1.3
67.05513	32.4
69.03451	2.5
69.06741	0.6
69.07083	8.7
71.01351	1.9
71.04994	3.6
71.53503	0.4
72.04855	0.5
73.02918	1.3
79.05503	28.7
80.05827	0.6
81.03429	49.0
81.07070	20.7
83.04556	0.7
83.04993	8.9
83.08150	0.8
83.08630	12.4
85.02926	3.4
85.06567	2.8
86.09700	0.8
91.03972	1.1
91.05493	18.6
93.07059	35.6
95.04984	16.7
95.08620	5.9
97.02896	3.9
97.06548	9.7
97.10186	8.5
99.08100	1.1
101.02414	0.6
101.40614	0.4
105.04539	0.7
105.06394	0.8
105.07043	8.7
107.04983	3.9
107.08611	21.0
107.82847	0.4
109.02905	1.0
109.06507	2.3
109.10165	6.8
111.04462	1.2
111.08093	5.7
113.05997	0.7
115.05447	0.6
117.07028	3.3
119.04964	0.5
119.08591	11.1
121.06513	2.6
121.10155	8.6
123.08083	1.6
123.11719	0.9
124.99994	0.6
125.09644	1.6
128.06274	0.7
129.05519	0.7
129.07027	5.7
131.08595	5.3
133.06468	1.2
133.10143	7.3
135.08081	1.2
135.11713	38.0
136.11984	0.7
137.09631	2.3
142.07820	0.8
145.10133	6.6
146.10471	0.6
147.08035	1.9
147.11745	4.6
149.09645	2.7
149.13356	0.6
150.32074	0.5
151.11139	1.3
153.12749	1.3
157.10152	6.4
159.11783	0.5
163.11201	7.0
165.12762	1.5
173.09668	0.7
175.11195	6.8
181.12253	6.9
184.07327	3.8
185.13286	0.7
191.10609	0.5
192.24583	0.4
193.12265	14.6
199.13379	0.8
211.13330	2.8
227.12801	0.7
249.14931	1.8
253.14409	1.0
255.15952	74.1
256.16309	0.8
267.15955	45.2
268.16269	1.1
269.17496	2.2
285.17007	1.8
301.16611	1.1
346.02103	0.7
355.22690	0.6
403.24857	1.5
421.25928	9.5
429.26489	0.9
439.26898	1.4
447.27481	100.0
448.27808	3.3
461.29028	1.2
465.28525	6.5
467.18765	1.7
468.18936	0.8
469.20383	0.6
479.30573	2.6
489.28656	1.6
496.29745	0.6
497.30957	2.6
555.29218	0.7
573.30273	0.5
643.50983	0.6
694.31165	16.9
695.32574	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01854	3.8
55.05510	16.4
57.03185	1.6
57.03436	17.2
59.04983	3.8
60.08159	1.6
61.02916	4.9
65.03937	2.6
67.05505	99.4
67.23489	0.9
69.03430	5.4
69.07069	14.3
70.03133	2.6
70.03529	1.8
70.71820	1.1
71.04993	32.3
73.02900	2.3
79.05493	37.6
81.03419	55.7
81.06590	2.4
81.07056	43.3
83.04977	15.9
83.08620	24.3
85.02901	28.4
85.06535	6.4
86.09712	10.6
87.04425	1.2
91.03946	2.1
91.05478	45.5
93.07043	33.8
95.04967	24.7
95.08604	19.8
97.02901	7.3
97.06522	9.1
97.10156	4.6
99.08069	2.7
105.07029	24.2
107.04935	9.1
107.08590	20.3
109.06538	6.6
109.10156	73.6
111.04430	2.0
111.08089	13.2
113.05973	2.7
115.05416	2.0
117.06967	5.3
117.66513	1.0
119.04924	1.4
119.08580	31.2
120.08929	1.4
121.06500	2.7
121.10135	13.5
123.08043	2.5
123.11703	2.7
125.00022	6.9
125.09633	2.8
126.42578	1.1
127.03894	1.4
127.07528	1.2
129.07013	11.2
131.08580	12.1
133.06491	2.2
133.10139	16.1
135.11696	18.5
137.09615	14.7
142.07771	3.1
145.06487	1.3
145.10120	8.0
147.08025	3.0
147.11690	16.2
149.09627	6.8
149.13232	2.1
151.11139	2.0
155.10620	5.5
157.10123	14.5
163.11183	4.6
165.12775	4.0
169.12291	1.9
173.11729	10.4
175.11198	17.2
177.12675	1.7
181.12227	4.3
184.07333	31.2
187.13188	1.3
193.12241	39.6
211.13266	41.0
229.14311	3.9
239.16434	1.9
243.15897	4.7
255.15930	14.2
267.15887	22.7
268.16278	1.5
269.17551	3.8
285.16965	25.9
286.17145	1.4
287.18533	26.9
375.25500	1.2
403.24771	2.5
421.25870	34.8
429.26437	1.9
435.27472	1.5
439.26920	100.0
440.27087	3.2
447.27374	50.9
448.28030	2.2
452.68182	1.3
453.28546	14.3
461.28922	13.7
465.28491	68.0
466.28638	1.9
469.20261	1.4
479.30078	8.9
497.31110	71.9
498.31454	2.3
567.01978	1.6
609.81299	1.1
641.34937	2.5
644.35260	5.2
694.31335	4.0
694.41406	2.8
695.31848	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	695.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01868	0.8
55.05497	1.3
57.03437	1.8
61.02934	3.0
67.05517	2.2
69.03432	2.0
69.07075	0.5
70.71244	0.9
70.71587	0.5
71.01365	0.4
71.04991	0.6
73.02933	2.3
73.93889	0.4
79.05492	1.8
80.27160	0.4
81.03429	3.1
81.07076	2.3
83.04996	0.9
83.08628	0.9
83.27204	0.4
85.02916	5.1
91.03960	1.8
91.05484	3.1
91.20896	0.4
93.07071	2.0
94.49075	0.4
95.04996	1.4
95.08610	0.8
97.02901	3.6
99.04427	0.9
101.02373	1.1
103.03947	0.6
105.07056	1.3
107.04984	0.5
107.08620	0.9
109.10126	0.6
111.08110	0.6
115.03956	0.4
119.08601	1.4
121.10182	0.6
123.08105	0.6
127.03950	1.0
131.08565	0.8
135.11679	1.0
145.10158	1.0
147.08086	0.4
147.11726	0.8
148.56340	0.4
149.09680	0.6
157.10220	1.0
163.11209	1.5
175.11192	0.9
193.12306	1.1
203.05284	0.5
211.13412	0.6
243.08484	1.8
249.10945	0.4
251.12579	0.5
307.15280	0.5
440.27155	0.5
448.27731	0.4
466.28851	0.8
467.18900	5.3
469.20572	5.7
592.02112	0.4
695.32513	100.0
696.32849	4.0
704.04987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92655	1.4
53.03942	2.7
55.05521	16.4
56.68386	1.2
56.96566	1.3
57.03446	7.0
57.07080	9.4
61.02652	1.7
61.02934	25.1
67.05512	67.9
69.03406	4.2
69.07072	21.4
71.04977	1.4
71.08624	4.6
73.02917	7.0
79.05499	17.1
81.03416	2.5
81.07067	80.4
83.04966	2.8
83.08628	19.7
85.02433	2.4
85.02914	26.1
85.06544	2.6
85.10172	2.8
91.03956	18.6
91.05482	15.6
93.07057	21.5
95.04961	1.7
95.08614	68.7
97.02910	14.3
97.06530	4.7
97.10164	11.0
99.04473	2.2
99.08082	2.9
101.02346	1.7
105.07032	13.2
107.08606	18.5
109.10163	38.1
111.08076	4.7
111.11684	2.5
113.09646	2.1
115.03963	2.0
119.08573	12.3
121.09441	1.8
121.10172	20.5
123.11721	18.3
125.09676	2.2
125.13248	1.9
127.03918	9.6
133.10139	14.9
135.11679	9.2
137.09636	2.0
137.13261	6.9
141.12740	3.5
145.04993	11.9
147.11725	11.6
149.13251	11.5
151.14824	4.6
155.14281	2.2
161.13278	11.2
163.06061	17.9
163.07407	2.4
163.14827	12.0
165.12756	2.5
165.16432	9.3
172.15565	1.5
175.14836	10.9
177.16379	1.8
179.14320	2.1
179.17986	7.4
189.16383	5.7
193.15919	1.8
245.22673	63.1
263.23718	100.0
264.24310	1.8
265.25244	1.8
265.41092	1.5
271.18890	1.8
281.24673	1.9
337.27408	70.3
342.31323	1.6
355.28482	17.6
369.02689	1.8
499.32693	7.1
519.91620	1.8
696.35809	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	696.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01865	1.3
55.05501	5.7
55.68899	1.2
57.03435	1.7
57.07080	16.9
57.68603	1.2
59.87434	1.2
65.52402	1.1
66.09046	1.2
67.05502	13.2
69.03404	1.2
69.07067	5.7
70.57452	2.7
70.57793	1.7
71.08641	11.2
79.05500	9.7
80.69043	1.2
81.03416	32.9
81.07056	15.3
83.04949	2.4
83.08615	12.3
85.10186	6.4
91.05492	8.4
93.07038	7.4
95.04958	7.0
95.08613	11.4
97.06525	1.4
97.10143	2.3
98.20810	1.3
105.07053	7.4
107.04960	3.3
107.08567	4.3
109.06556	2.0
109.10146	5.9
111.08075	2.0
117.07019	1.8
119.08591	6.5
121.10166	2.1
123.11713	2.1
129.07002	3.7
130.23889	1.3
131.08534	4.1
133.10117	2.7
135.11649	2.6
145.10126	2.2
145.18596	1.6
147.11665	2.3
149.09569	2.3
157.10144	4.5
162.84390	1.3
175.11192	3.6
193.12239	6.8
236.16499	4.5
263.87598	1.2
267.15829	1.9
275.20038	2.1
329.78595	1.3
423.96957	1.3
463.30704	1.4
484.54926	1.7
505.38907	100.0
506.39285	2.7
646.40759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01855	0.3
55.05498	0.8
57.03432	1.1
61.02926	3.6
67.05505	1.7
69.03433	2.0
69.07060	0.6
70.70115	0.5
70.70476	0.3
71.01338	0.4
71.05003	0.6
73.02924	2.5
79.05488	1.7
81.03419	4.7
81.07054	1.8
83.04979	0.7
83.08622	1.7
85.02906	4.7
87.04468	0.3
91.03972	1.6
91.05489	2.2
93.07039	1.6
95.04966	1.9
95.08631	0.6
97.02892	2.7
97.06564	0.4
99.04449	0.4
101.02380	0.8
103.03957	0.2
105.07027	1.8
107.04964	0.4
107.08607	0.8
107.15077	0.2
109.02906	0.5
109.06542	0.4
109.10194	0.3
111.08085	1.0
115.03931	0.4
119.08586	1.3
121.10155	0.7
123.08107	0.3
125.09638	0.3
127.03928	0.9
129.07043	0.9
131.08589	0.8
133.10149	1.5
135.11665	0.2
137.09650	0.3
139.07707	0.2
142.07808	0.3
144.18800	0.2
145.04990	0.4
147.11656	1.4
149.09633	0.7
157.10115	1.4
171.04266	0.2
175.11191	1.4
185.04187	0.3
193.12260	3.1
211.13350	1.9
243.08397	2.0
251.12532	4.5
285.16983	0.6
307.15350	1.0
382.70944	0.2
393.64722	0.3
469.20435	14.0
575.51477	0.3
697.34003	100.0
698.34180	3.4
723.68536	0.2
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
53.03946	0.4
55.01871	0.4
55.05497	0.3
56.64313	0.3
57.03429	1.7
61.02933	3.2
67.05506	1.6
69.03437	2.2
69.07059	0.5
69.62567	0.6
69.62978	1.4
71.04991	0.7
73.02922	2.2
73.13101	0.3
76.39362	0.3
79.05492	2.2
79.11589	0.3
81.03426	4.8
81.06632	0.3
81.07060	2.0
83.04984	0.7
83.08629	1.4
85.02911	6.1
85.13940	0.3
87.04465	0.4
91.03963	2.5
91.05482	2.9
93.07040	1.4
95.04953	1.7
95.08615	0.6
97.02901	3.8
99.04465	0.8
101.02386	1.6
105.07054	2.0
107.04961	0.7
107.08585	0.5
109.02898	0.4
109.99895	0.3
111.08079	0.4
119.08600	1.5
121.10166	0.8
127.03937	1.4
129.06985	0.8
131.08597	1.1
133.10173	0.8
142.07851	0.4
147.11722	1.2
149.09653	0.6
157.10190	1.2
163.46637	0.3
175.11235	1.2
175.78079	0.3
181.02913	0.3
193.12277	2.1
211.13330	0.8
232.38033	0.3
239.35492	0.4
243.08466	1.9
251.12617	1.4
282.72510	0.4
307.15283	0.5
469.20483	11.7
697.34064	100.0
698.34155	4.3
727.33331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05571	1.1
57.03516	2.1
59.98162	0.7
61.02680	1.5
61.03014	4.7
67.05211	1.2
67.05597	10.5
69.03519	3.1
69.07134	1.5
70.63805	1.6
71.05060	1.2
73.03015	3.5
78.74023	0.7
79.05583	1.7
81.03525	2.0
81.07172	5.5
83.08728	2.1
85.03024	8.9
91.04085	4.5
91.05608	2.6
93.07169	2.7
95.08735	3.0
96.01983	0.8
97.03027	5.9
97.10282	0.9
97.79497	0.7
99.04508	1.0
101.02515	2.7
105.07121	1.4
107.08726	2.1
109.02985	1.0
109.10300	10.4
117.11510	0.7
119.08729	2.1
124.19167	0.7
127.03202	0.7
127.04079	2.3
131.08728	0.8
133.10260	1.2
135.11795	1.2
137.62975	0.7
145.10207	0.7
149.13383	1.3
155.10757	0.9
173.11987	2.7
181.04868	1.2
185.04459	3.1
195.10052	1.4
203.05421	1.2
211.73347	0.7
226.54004	0.8
229.14578	1.8
235.13242	1.4
243.08423	4.3
251.12761	1.0
263.99261	0.8
269.17767	0.7
293.55280	0.7
301.08963	5.1
315.10764	2.9
369.15353	1.4
371.16660	4.2
373.11279	2.4
385.18683	2.6
389.27008	0.9
413.17853	21.6
413.22955	1.3
425.21704	2.9
429.17722	1.2
443.19299	1.2
453.20819	5.9
457.20721	0.9
463.26932	2.5
484.22876	1.6
485.19815	6.9
497.23630	1.4
499.21747	2.0
516.22284	1.0
527.25293	0.9
541.26227	3.2
553.30469	1.1
567.31390	23.5
568.31958	1.1
596.31812	8.6
597.32452	1.3
623.34009	1.1
625.31958	100.0
626.32550	2.3
628.30640	8.1
651.33167	6.0
653.34857	1.6
669.34314	1.4
697.33942	51.4
698.34338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76880	0.7
55.01862	0.6
55.05504	1.6
57.03430	1.5
57.07071	0.9
59.34506	0.6
61.02925	4.6
64.37279	0.6
64.96096	0.7
66.32911	0.6
67.05505	4.1
69.03416	2.3
69.07067	1.2
71.42042	0.6
73.02912	3.2
77.19814	0.7
79.05482	2.7
81.03425	1.3
81.07048	3.9
83.01089	1.1
83.04977	1.0
83.08605	1.2
85.02914	4.3
91.03973	4.0
91.05474	1.6
93.07050	3.1
95.01112	0.8
95.08599	2.3
96.01923	0.7
97.02878	3.9
97.06522	0.9
101.02364	0.8
105.07034	1.7
107.08589	3.0
109.02841	0.8
109.10143	1.8
119.08573	1.9
121.10149	2.0
123.08052	0.7
127.03944	1.5
129.05486	1.5
131.08551	0.9
133.10150	1.5
135.11697	1.6
145.10088	1.2
149.13214	1.5
159.11674	1.4
161.13329	1.0
173.13205	1.0
181.04692	1.9
185.04208	4.7
195.13831	1.0
201.03801	1.8
203.17868	0.7
205.15909	0.8
227.05290	1.0
229.03670	0.9
235.13110	1.5
241.06689	0.8
243.08371	3.1
261.14661	3.6
269.17416	1.0
291.15640	1.1
301.08945	13.8
305.17087	0.9
313.09039	1.3
315.10544	3.6
317.08823	1.2
329.12051	1.5
333.16733	1.9
341.12009	1.0
343.13757	1.3
351.17810	2.3
355.13791	0.7
371.16922	2.2
373.10962	5.5
379.17175	1.5
383.16568	3.6
385.18219	6.2
387.12665	1.8
417.25958	1.1
423.19879	1.1
423.36349	1.0
425.21536	1.7
429.17499	1.5
443.18723	5.9
453.20914	12.3
456.62363	0.9
457.20465	1.3
463.26715	0.7
469.20508	4.8
471.22095	0.8
483.21902	3.8
484.23010	1.0
485.20090	0.9
489.27820	1.0
512.22437	1.9
525.23145	7.9
539.24432	2.1
553.26569	1.4
567.31476	32.8
568.31915	2.3
579.30981	1.2
581.29309	0.8
595.30707	4.6
596.31659	2.6
609.32263	1.1
625.31909	1.7
635.34186	1.6
637.32373	1.0
641.90588	0.8
651.33484	36.6
652.34210	1.5
679.32892	1.9
695.32538	2.3
697.33978	100.0
698.34851	3.6
716.70587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05509	0.9
57.03438	1.9
57.07065	0.6
60.61399	0.4
61.02930	3.7
63.01720	0.4
67.05511	2.8
69.03420	3.1
69.07070	1.4
70.53057	0.9
70.53423	1.1
73.02928	3.4
79.05499	1.7
81.03422	1.3
81.07068	4.1
83.01100	0.6
83.04958	0.8
83.08611	1.5
85.02908	4.9
91.03964	3.4
91.05494	1.8
92.71745	0.4
93.07017	2.1
95.08617	1.5
97.02892	4.1
97.06554	0.7
98.20838	0.6
99.04493	0.7
101.02406	0.9
105.07042	1.5
107.08599	2.0
109.02847	0.6
109.10154	0.8
111.08073	0.6
117.05526	0.7
117.07012	0.5
119.08576	0.8
121.10122	1.1
127.03921	1.2
129.05508	1.9
133.10115	1.1
135.11749	1.1
137.56870	0.4
147.11633	0.6
149.13287	0.9
159.11659	0.6
181.04639	0.8
185.04196	4.2
187.14864	0.5
195.13805	0.8
198.24226	0.5
201.03769	2.0
203.05356	0.8
205.15941	0.6
227.05211	0.6
233.18994	0.5
235.13040	3.7
241.06740	0.6
243.08444	3.4
251.12691	0.8
261.14764	1.0
269.17523	1.2
275.16306	1.6
301.08969	13.4
305.17316	0.4
315.10498	4.7
327.10562	1.0
329.12128	1.0
333.16830	2.5
341.12277	0.8
343.13617	0.6
351.17972	0.5
355.13715	0.8
357.15271	1.2
369.15295	1.5
371.16818	3.7
373.11032	9.8
379.17572	1.8
383.17047	1.4
385.18298	7.1
387.12473	2.3
401.14066	0.5
415.16068	1.2
417.26212	2.0
423.19983	1.4
425.21616	2.3
429.17270	2.3
439.19650	1.0
441.21399	0.5
443.19019	1.1
453.20963	14.0
457.20636	2.7
469.20505	6.1
471.22125	1.1
483.22159	3.5
484.22784	3.1
485.19894	1.0
512.22552	2.3
516.21808	0.8
525.23041	7.1
539.24896	1.6
553.26508	2.1
567.30792	1.5
567.39569	0.5
568.31927	1.2
569.64575	0.5
595.31073	4.2
596.31659	3.1
600.31409	0.8
609.32526	1.2
622.74921	0.5
625.31793	1.5
637.32233	1.3
651.33783	1.6
652.36560	0.6
663.33856	0.6
679.32697	2.4
680.33789	0.9
697.33936	100.0
698.34082	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	697.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05510	2.0
57.03445	1.7
61.02927	3.6
67.05528	4.9
69.03441	2.3
69.07079	1.3
73.02926	3.2
76.00762	0.8
79.05507	2.6
81.03432	2.5
81.07071	5.2
83.04990	1.5
83.08640	2.2
85.02911	4.2
91.03985	3.1
91.05511	2.5
93.07044	3.9
95.04958	0.9
95.08624	2.9
97.02908	4.2
98.97577	0.9
99.04462	1.1
105.07056	2.5
107.08621	2.1
109.02836	0.9
109.10189	2.1
119.08607	2.1
121.10172	2.6
127.03994	2.5
129.05550	1.1
131.08612	1.7
133.10201	1.1
135.11705	1.3
143.36552	0.8
145.10187	1.0
147.11687	1.4
149.09654	1.0
159.11801	0.9
163.11317	1.6
165.05708	0.9
185.04193	2.1
195.13937	1.0
197.81982	0.8
203.05299	1.2
235.13091	1.5
243.08345	4.6
251.12750	1.1
261.14661	1.0
267.09067	2.0
281.10764	1.0
285.10138	1.2
301.09006	6.7
315.10687	1.2
341.12225	1.0
371.16769	1.3
373.11148	3.3
385.18604	3.2
423.20010	0.8
443.19269	1.0
449.73862	1.0
453.21246	10.3
457.20474	1.1
467.19403	1.4
469.20599	3.7
483.22287	3.1
485.20193	1.4
512.22406	1.2
525.23315	2.9
539.24152	0.9
567.31512	61.5
568.32458	2.8
579.31360	1.8
595.31238	2.5
596.31696	1.3
617.08960	0.9
633.32544	1.3
651.33575	66.5
652.33606	2.6
679.33282	2.8
680.34180	0.9
695.32538	5.4
697.33795	100.0
698.34137	2.6
725.66754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3762
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
50.82712	0.3
53.03944	0.6
53.13346	0.3
54.54097	0.3
55.01847	0.4
55.05506	1.0
57.03438	1.9
61.02922	4.1
65.03941	0.3
67.05510	4.9
69.03426	3.1
69.07066	0.8
71.04999	3.2
71.54511	0.4
71.54891	0.3
72.41672	0.3
73.02919	3.3
75.20506	0.3
75.96519	0.3
79.05485	2.3
81.03419	1.8
81.07063	6.3
81.88480	0.3
83.04939	0.5
83.08622	1.0
85.02901	4.3
87.04459	0.4
91.03962	3.0
91.05475	2.6
93.07049	4.0
95.04988	0.5
95.08588	1.5
97.02893	3.5
97.06552	1.1
99.04464	0.6
101.02395	1.1
103.03944	0.4
105.07063	0.7
107.08604	2.4
109.02879	0.6
109.10162	1.7
111.08089	0.8
115.03933	0.4
117.01377	0.3
117.07018	1.0
119.08591	0.5
121.10164	1.3
123.11736	1.3
127.03941	1.0
131.08601	0.9
133.10141	2.1
135.11681	0.6
145.04988	0.3
149.13260	2.2
151.11208	0.7
159.11684	1.5
183.13849	0.6
185.04330	0.5
187.13306	0.4
195.13843	0.8
219.01654	0.4
235.13190	1.4
243.08421	2.0
243.15977	0.4
257.17618	1.1
267.15756	1.2
269.17477	0.5
291.15707	0.7
301.09302	0.3
318.56976	0.4
323.18317	0.5
373.11307	0.4
413.17953	1.1
453.20950	9.3
485.23822	6.9
541.26300	0.5
567.31195	1.6
596.31769	1.0
625.31897	9.6
628.31097	0.6
648.89636	0.3
651.33044	0.5
697.37695	100.0
698.38062	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01859	1.7
55.05511	24.6
56.96557	2.2
57.03445	7.6
57.07080	16.2
61.02656	1.8
61.02930	27.4
65.20945	0.9
67.05506	35.4
69.03418	5.6
69.07070	49.1
69.30225	7.4
71.04976	3.1
71.08630	10.2
73.02626	0.8
73.02923	9.4
75.04469	2.9
79.05496	16.3
81.03412	2.4
81.07059	49.9
83.04942	1.3
83.08621	38.8
85.02907	29.7
85.06524	2.9
85.10195	6.2
91.03421	1.4
91.03963	24.8
91.05474	3.3
93.06480	1.8
93.07047	26.0
95.08611	45.8
96.08965	1.0
97.02897	14.7
97.06530	8.5
97.10172	26.1
98.21509	2.0
99.04439	1.2
99.08080	1.3
101.02396	1.3
103.03910	1.4
105.07007	1.9
105.53923	0.9
107.08603	18.0
109.02884	1.6
109.10155	23.5
111.08096	6.0
111.11726	9.6
113.09639	1.2
115.03967	1.6
119.08517	1.3
120.89706	0.9
121.10143	38.0
123.11711	7.8
125.09630	2.8
125.13224	3.4
127.03917	7.7
129.09146	1.8
131.08566	1.3
135.10681	2.1
135.11693	34.5
137.13235	3.3
139.11163	2.6
145.04977	13.1
149.13260	13.7
151.14825	5.8
153.12737	2.3
157.12234	1.1
163.04723	1.6
163.06024	24.2
163.14859	5.9
165.16353	3.9
171.13780	1.1
171.87762	0.9
177.16386	2.6
179.18007	1.1
181.15849	0.9
185.15465	1.2
191.17924	1.5
195.17387	1.5
203.06049	0.9
230.75710	0.9
247.24207	33.6
248.24707	1.0
265.25275	97.4
266.25610	1.5
267.09055	5.1
269.12292	5.6
270.01563	1.0
270.34882	1.0
283.26315	22.0
285.10144	7.8
286.10391	1.5
290.10818	1.2
301.19748	0.9
308.11581	1.3
316.12576	2.7
324.11514	8.4
324.61740	1.8
335.25925	1.2
339.28952	100.0
340.29395	2.3
357.30008	71.0
358.30215	1.5
426.13846	1.1
463.22607	4.0
463.72818	3.7
501.33939	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.2
69.07075	0.8
70.95036	1.7
79.05506	0.7
81.07045	0.9
84.10463	0.6
91.05493	0.9
91.48774	0.6
95.05001	0.7
99.12334	0.5
105.07024	0.9
119.28757	0.5
123.08027	0.6
133.03511	0.6
210.32837	0.7
259.08066	0.6
267.60046	0.6
281.47766	0.6
291.49591	0.6
294.40872	0.6
301.20126	1.2
347.09579	0.9
500.45645	0.6
537.30359	17.7
539.34875	0.6
548.60834	0.6
562.49316	0.6
593.06976	0.7
699.35559	100.0
700.36523	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	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.3
55.05505	0.9
57.03444	1.5
59.04994	0.6
61.02647	0.3
61.02931	3.6
67.05502	3.3
69.03431	2.3
69.07059	1.1
69.80369	1.1
71.01360	0.5
71.05000	1.4
72.90685	0.2
73.02914	2.5
74.35964	0.2
76.01387	0.2
79.05491	3.2
81.03408	3.0
81.07054	2.5
83.04984	1.0
83.08607	0.5
85.02902	4.2
85.06543	0.5
87.04466	0.5
90.55008	0.2
91.03941	2.3
91.05480	2.4
93.07039	3.7
95.04956	1.1
95.08611	1.2
97.02886	3.2
97.06524	0.9
97.10177	0.6
99.04463	0.9
99.08131	0.3
101.02390	1.4
103.03957	0.3
105.07037	1.1
107.04951	0.4
107.08591	2.2
109.02886	0.8
109.06546	0.3
109.10143	0.8
111.08074	0.5
115.03977	0.3
117.07063	0.4
119.08574	1.1
121.06497	0.2
121.10146	1.8
123.11694	0.2
125.09655	0.2
127.03920	1.1
128.06375	0.2
129.07016	0.4
130.25964	0.2
131.08537	1.0
131.78452	0.2
133.10097	1.1
135.08127	0.2
135.11691	3.2
137.09676	0.2
145.04953	0.6
145.10136	0.8
147.11684	1.1
149.09634	0.9
153.12703	0.3
157.10139	0.8
163.11179	0.3
175.11160	0.9
181.12234	0.4
185.04239	0.7
193.12234	1.0
195.06602	0.2
197.15392	0.3
198.01488	0.2
203.05339	0.3
211.13370	0.4
221.11447	0.9
225.14899	0.6
243.08429	2.3
255.15892	0.5
267.15973	0.6
277.14069	0.4
281.43265	0.2
283.15167	3.7
339.17853	0.8
439.19403	10.3
440.19861	0.3
453.20975	0.3
469.20541	0.6
471.21918	0.4
501.23038	9.0
502.23386	0.3
537.30585	0.6
538.32843	0.3
681.34222	0.3
699.35577	100.0
700.35986	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05507	0.7
55.83748	0.2
55.91805	0.3
57.03434	1.4
61.02922	4.0
67.05505	3.9
68.72128	0.3
69.03430	2.4
69.07055	0.7
70.68762	0.6
70.69102	0.4
71.04993	3.3
73.02921	2.7
79.05490	2.3
81.03416	3.3
81.07056	2.4
83.04970	0.9
83.08622	1.1
85.02911	4.8
85.06568	0.3
87.04464	0.4
88.81296	0.2
91.03963	3.0
91.05477	3.0
93.07049	2.4
95.04985	1.5
95.08591	1.4
97.02893	3.3
97.06537	0.8
99.04401	0.6
101.02387	1.4
105.07057	1.4
107.04973	0.4
107.08595	1.3
109.02872	0.7
109.10168	2.8
111.08109	0.4
115.03957	0.4
119.08572	2.0
121.06609	0.3
121.10154	1.2
127.03933	1.2
129.05441	0.3
129.07011	0.7
131.08578	0.7
133.10187	1.2
135.11694	1.6
137.09641	1.7
145.10181	0.7
147.11732	1.1
149.09547	0.4
152.39284	0.3
155.10664	0.4
157.10135	0.6
163.11220	0.4
172.89061	0.3
173.11780	0.5
175.11159	0.6
185.04254	0.6
190.69139	0.2
193.12259	1.3
203.05283	0.5
211.13402	0.3
243.08368	2.0
243.15988	0.6
251.12659	1.0
253.14206	1.1
285.17078	0.3
307.15427	0.5
309.16818	0.3
331.51804	0.3
349.81519	0.3
384.92902	0.3
427.20053	0.3
439.19473	0.6
443.19473	0.4
453.21027	0.6
469.20474	6.9
471.22040	6.2
487.21582	0.4
537.30054	0.6
580.36945	0.3
681.34033	0.4
699.35583	100.0
700.35748	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	701.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52305	0.5
55.05498	0.6
67.05496	2.5
70.03249	1.7
70.75767	0.5
79.05502	0.9
81.03410	0.6
81.07061	1.2
88.05734	0.5
91.05476	1.2
93.07043	0.9
95.08634	0.7
101.20512	0.5
105.07094	0.6
107.08543	0.8
109.10156	0.8
119.08606	0.8
121.06581	0.6
149.02304	0.5
151.79218	0.5
158.11531	0.5
185.04343	0.7
203.05298	1.7
259.08038	1.0
296.12109	0.5
301.21259	0.5
321.22351	0.7
329.46719	0.6
347.09628	1.7
365.10538	2.9
404.49167	0.5
421.13223	1.0
507.30096	0.6
539.31964	21.1
701.37189	100.0
702.37579	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	702.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.05500	0.9
56.05042	0.4
57.06835	0.4
57.07082	6.3
58.06603	2.4
61.09739	0.3
65.03941	3.8
67.05499	0.6
69.03419	0.8
69.07067	0.7
69.46973	0.7
69.47384	1.4
70.06599	17.5
71.08635	2.7
72.08165	1.2
73.02938	0.4
79.01846	0.4
79.05482	0.9
81.03401	0.8
81.07034	0.8
83.08579	0.4
84.08143	1.0
85.02911	0.4
85.10181	0.8
86.09695	1.0
87.04471	0.3
88.07642	16.4
91.05480	0.5
93.07035	0.8
95.04992	0.6
95.08595	0.8
97.02887	0.7
102.09188	12.6
102.71183	0.3
103.49847	0.2
105.03393	0.6
105.07023	0.5
107.04939	0.3
107.08587	0.6
109.06553	0.3
109.10111	0.4
117.07059	0.5
119.08630	0.3
121.02858	1.8
127.03857	0.3
132.10211	1.7
133.02882	0.3
136.01567	0.3
139.03917	1.1
145.10129	0.5
146.11763	2.0
147.04434	0.8
149.02365	54.0
149.03464	5.6
150.02753	0.4
163.11243	0.3
175.03935	1.6
177.05458	0.5
193.04977	29.4
194.05296	0.4
200.77663	0.3
212.23738	0.7
219.06555	1.6
225.05551	0.7
227.76515	0.3
237.07594	4.8
238.25270	0.4
256.26373	41.9
257.26776	0.6
263.09192	0.7
269.04517	0.8
297.03995	1.0
300.28998	8.0
313.07132	1.0
341.06586	4.9
343.08057	0.3
359.07654	3.2
385.09189	10.9
387.11084	0.5
389.48538	0.3
403.10269	9.1
404.10086	0.3
429.11844	19.4
430.12146	0.7
473.07724	0.6
473.14438	10.0
570.34436	0.3
640.34540	1.2
684.37286	0.9
702.38519	100.0
703.38586	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	702.471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78090	0.2
55.05506	0.5
55.97872	0.2
56.05030	0.6
57.03460	0.2
57.07069	0.3
58.06358	0.2
58.06623	0.6
60.08170	5.8
61.74803	0.2
67.05507	0.7
69.07066	0.6
69.27245	1.4
69.27652	0.5
71.07384	3.1
79.05496	0.5
79.41791	0.2
81.07056	1.4
83.08638	0.5
86.09712	31.0
87.04436	0.2
89.06020	0.6
91.05508	0.3
93.07047	0.6
95.08627	0.6
97.10168	0.2
98.98470	3.1
99.48385	0.2
104.10760	2.8
105.07025	0.2
107.08616	0.5
109.10217	0.2
121.10156	0.2
125.00015	20.0
133.08583	0.2
143.01074	0.3
147.11684	0.2
149.13264	0.2
151.33398	0.2
184.07355	100.0
185.07755	0.2
269.15005	0.2
269.17447	1.1
311.25882	0.8
320.13434	0.3
505.38950	1.9
702.47089	10.9
703.47614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.5
53.03943	11.3
55.01883	16.2
55.05270	2.9
55.05519	32.7
57.03439	12.5
57.07079	2.9
61.02948	4.7
65.03941	4.8
67.05511	70.6
69.03439	26.2
69.07077	26.2
69.42078	6.8
69.42497	11.5
71.04996	9.8
73.02918	4.4
79.05501	73.1
79.05965	3.5
81.03426	100.0
81.07066	76.4
81.39662	2.6
83.04987	23.9
83.08624	26.9
85.02913	22.9
85.06556	5.0
91.03959	2.9
91.05488	65.2
93.07051	56.5
95.04971	29.6
95.08616	37.0
97.02908	24.7
97.06550	13.0
97.10178	14.8
99.04468	9.9
99.08115	4.1
103.05477	2.4
105.04515	3.4
105.07043	57.9
107.04955	14.4
107.08605	33.8
109.02863	18.0
109.06526	10.4
109.10144	21.9
111.04473	10.2
111.08095	11.1
113.06008	3.1
115.05448	5.2
117.07027	26.9
119.08599	52.1
121.06519	9.8
121.10144	22.7
123.04448	6.0
123.08099	7.8
123.11720	5.3
125.02337	3.4
125.05996	2.5
125.09645	12.8
127.03913	13.4
128.06244	3.4
129.05502	3.0
129.07013	26.2
130.07806	2.3
131.08569	32.4
133.06520	8.5
133.10141	35.3
135.08047	7.4
135.11717	10.3
137.09622	6.9
141.07001	6.9
142.07834	6.2
143.08615	15.1
145.06502	8.8
145.10146	30.5
147.08081	8.5
147.11696	24.5
149.09645	17.5
149.13274	4.6
151.11209	4.6
155.08618	8.7
157.06541	3.1
157.10127	20.9
159.08063	5.9
159.11702	18.8
161.09630	7.1
163.11243	8.4
165.12784	5.9
167.08607	3.7
169.10176	10.7
171.08098	5.4
171.11736	10.2
173.04463	14.4
173.09631	3.1
173.13240	5.9
175.11279	13.9
177.12802	3.5
179.14346	2.7
181.10115	3.4
183.11771	6.4
185.09712	4.2
185.13341	3.5
187.11275	3.9
189.11221	3.0
189.12761	3.8
191.10695	3.7
193.12244	22.7
195.11810	6.5
197.09767	4.8
197.13228	6.3
199.11328	2.6
201.16382	3.0
207.11717	4.2
211.13237	31.5
227.12660	6.0
231.13904	2.7
239.17967	6.1
245.05064	5.4
257.18893	14.0
267.09122	5.4
267.15887	15.4
273.18466	3.2
275.20102	41.0
285.17108	9.5
286.36255	2.2
293.21176	3.3
299.20288	3.0
301.14346	5.6
313.21790	3.6
331.22791	5.0
349.24039	13.7
355.17859	4.2
355.22635	3.5
365.21225	3.8
376.57916	2.5
383.22385	5.2
401.23276	4.1
411.20422	3.7
419.24564	3.6
449.30743	5.4
467.31610	3.0
475.27313	4.1
477.28394	3.3
523.34454	8.2
541.35187	42.1
559.36475	10.0
595.35803	2.8
610.31390	2.7
649.37207	3.5
667.38519	7.1
685.39252	15.7
703.19238	3.5
703.40552	84.2
703.53064	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	703.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.3
55.01886	13.3
55.05521	34.7
57.03448	13.3
57.07086	3.9
61.02937	3.7
65.03941	4.2
67.05511	61.7
68.86195	2.0
69.03439	25.3
69.07072	27.3
69.56432	10.7
70.06591	3.4
71.05007	11.6
73.02916	4.3
79.05503	56.5
80.51484	1.6
81.03428	89.4
81.07066	70.5
83.04998	19.5
83.08619	23.7
85.02910	21.9
85.06578	4.9
91.05490	68.9
93.07048	49.3
95.01363	5.9
95.04979	26.9
95.08620	34.9
97.02901	23.9
97.06544	20.0
97.10191	9.4
99.04444	6.7
99.08092	3.2
101.00881	2.7
102.09256	2.0
103.25114	2.4
105.04513	2.4
105.07047	67.7
107.04962	17.6
107.08609	30.3
109.02893	14.3
109.06518	10.4
109.10159	17.4
111.04462	12.0
111.08109	9.3
115.05448	4.7
117.07034	22.6
119.01978	3.4
119.04916	2.1
119.08595	43.3
121.06535	7.5
121.10143	16.4
123.04453	4.4
123.08105	7.2
123.11736	5.4
125.09651	10.0
127.03944	9.3
128.06267	3.3
129.05525	3.0
129.07016	19.1
131.04907	4.1
131.08589	37.2
133.06528	3.8
133.10146	30.6
133.11113	3.6
135.08113	8.7
135.11682	10.0
137.06099	2.4
137.09630	5.7
141.07024	3.8
142.07806	4.8
143.08577	13.7
145.06525	8.7
145.10149	24.8
147.08124	7.7
147.11696	24.3
149.02383	5.2
149.09656	11.3
149.13303	3.7
151.11275	3.6
155.08545	10.2
157.10124	22.8
159.08102	3.3
159.11722	19.6
161.09647	4.3
161.13295	9.8
163.11249	8.5
165.07144	2.0
165.12813	5.5
169.10167	6.6
171.08066	4.7
171.11664	11.9
173.03062	3.4
173.04514	7.8
173.09660	4.4
173.13306	6.9
175.11174	10.5
177.12747	4.1
179.08649	3.3
179.14279	10.9
181.10173	4.7
181.12338	2.9
183.11739	8.6
184.07433	2.2
185.02948	2.4
185.09721	3.7
185.13281	6.4
187.11237	6.1
187.14890	3.2
189.09224	3.0
189.12762	2.8
191.10718	4.6
193.05095	3.1
193.10529	4.0
193.12250	22.4
195.11748	6.7
197.09737	3.4
197.13383	5.4
201.12773	3.1
207.11906	2.5
211.11320	3.3
211.13269	24.3
211.14923	2.6
213.16606	2.2
215.18025	2.6
221.05287	3.1
225.12711	3.6
227.11011	2.3
227.12936	7.4
229.14374	2.7
231.14027	2.5
239.18047	3.6
245.05202	10.3
247.20580	3.3
256.26532	4.7
257.19028	12.7
263.06158	6.6
267.15988	10.3
275.20105	66.2
283.15326	2.5
285.17130	3.1
293.21219	4.9
297.22464	2.5
301.14108	2.4
305.07376	6.4
319.15631	2.7
349.23892	9.3
355.17715	4.2
393.19318	3.5
411.20166	5.7
419.24438	2.7
429.20700	3.0
443.28168	3.0
461.29153	6.6
501.32715	2.1
523.34332	5.5
541.12531	4.5
541.35364	40.3
559.36609	14.9
559.44043	2.5
649.37445	3.4
667.38434	6.3
685.39355	17.7
703.17706	7.2
703.40289	100.0
704.40369	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	703.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01859	8.5
55.05517	29.2
57.03423	10.7
57.07091	2.5
60.95586	2.5
61.02925	13.8
67.05178	3.6
67.05508	39.5
69.03441	13.0
69.07073	17.1
70.06558	3.6
71.01346	2.4
71.04983	7.1
73.02903	4.3
77.42439	2.4
79.05500	31.7
80.90522	2.3
81.03426	32.0
81.07062	32.5
83.04987	12.6
83.08596	10.4
85.02916	14.9
85.06531	2.5
91.03970	2.3
91.05482	30.2
93.07058	23.1
95.04976	12.3
95.08614	19.4
97.02901	17.0
97.06548	6.3
97.10143	18.2
99.04481	5.0
105.07040	25.0
107.04942	5.1
107.08614	17.9
109.02862	6.2
109.06524	5.6
109.10174	13.8
111.04469	4.5
111.08110	3.1
111.98810	2.5
115.05446	2.8
117.07034	16.3
119.08600	18.5
121.06548	2.5
121.10143	9.0
123.08033	3.7
123.11726	3.6
125.09625	12.4
127.03917	5.1
128.06206	6.5
129.07021	18.1
131.04886	2.3
131.08572	20.2
132.65370	3.0
133.10138	13.5
135.08044	3.5
135.11653	4.5
137.09627	2.8
141.06999	5.5
143.08560	13.4
145.10120	15.9
147.08061	5.2
147.11708	6.2
149.02342	2.6
153.12744	2.9
155.08566	6.0
157.06311	2.7
157.10149	7.0
159.08078	5.0
159.11717	9.7
161.09596	3.6
161.13252	3.6
163.11208	4.6
167.08521	3.1
169.10132	7.7
171.08069	4.5
171.11702	9.8
173.04443	7.6
173.09654	3.4
173.13261	8.0
175.11209	3.8
179.08540	3.2
181.10120	7.3
183.07985	3.4
183.11687	5.7
185.13257	9.1
189.11151	5.7
195.11679	5.7
197.03038	2.6
199.11107	2.6
211.11075	3.0
212.94554	2.5
213.12796	2.6
223.14888	4.9
227.12770	10.7
245.05049	11.7
259.20532	5.0
263.06018	7.4
275.20096	7.8
291.19455	3.5
297.22003	9.7
305.07135	3.2
333.24197	3.0
431.29413	5.0
449.30618	9.1
467.31644	5.9
513.35553	3.5
523.34357	13.4
541.35278	100.0
559.36316	6.8
583.36096	4.5
649.37695	4.1
667.38385	4.6
685.39343	8.3
703.16980	3.2
703.40314	39.4
730.43610	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	704.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.3
53.03944	1.1
55.01871	4.0
55.05502	2.9
57.03431	8.2
59.05006	1.5
61.02916	2.0
65.03901	1.4
67.05502	1.4
69.03434	12.0
70.79025	1.9
70.79361	1.5
71.01337	1.1
71.04996	33.2
73.02912	3.9
75.04477	4.0
79.05495	3.3
81.03409	3.6
81.07058	2.3
83.04977	11.3
85.02908	54.0
85.06513	1.1
87.04464	1.9
91.05478	11.3
93.07037	2.9
94.04156	1.9
95.04955	6.4
97.02880	5.1
97.06499	1.4
98.97585	1.2
99.04459	4.9
101.05981	1.7
103.03967	1.6
103.05481	10.3
105.07020	13.0
107.04951	18.1
111.04458	11.6
113.06003	3.2
115.03951	1.4
115.05428	5.3
117.07010	4.2
119.04934	9.9
121.06503	4.3
122.03664	4.4
123.04472	1.2
125.05980	1.8
127.03929	3.3
128.06238	1.8
129.05492	15.0
129.06979	5.8
131.04942	31.5
131.08516	1.4
133.02856	1.9
133.06485	13.7
135.04395	1.5
135.08076	4.5
136.07555	2.0
137.05983	100.0
138.06316	1.4
141.07050	1.6
143.04941	5.2
143.08575	1.4
144.05807	1.1
145.04945	2.4
145.06502	10.4
146.03659	1.5
146.07257	1.2
147.04425	15.1
147.06450	6.0
147.08066	1.9
148.05219	1.9
149.04794	1.2
149.05992	27.6
151.03905	3.3
151.07545	36.3
153.01952	1.2
157.06514	7.0
159.04445	6.4
159.06583	1.4
159.08052	2.5
160.05205	5.0
161.05975	40.7
161.09645	7.8
162.06760	5.3
163.07550	60.1
165.05605	1.4
165.09137	7.7
167.07086	9.9
169.06532	4.2
171.04434	1.8
171.08047	4.2
173.05995	2.7
174.06775	5.0
175.07559	29.1
176.04718	2.8
177.05476	19.3
177.09117	11.0
178.06096	1.3
179.07040	15.4
179.08551	1.5
179.10646	1.7
181.06541	1.5
181.08598	6.3
183.04439	1.5
183.08022	2.8
183.10204	3.6
185.05997	3.8
187.07559	8.4
189.05505	1.6
189.09103	26.3
190.06413	1.2
191.07045	47.7
193.08601	9.7
193.10121	1.6
195.06511	4.2
195.08243	2.0
195.10139	8.2
197.06113	2.4
199.07555	12.0
201.05325	2.0
201.09077	5.7
203.07037	15.7
203.10649	2.9
204.07787	1.5
205.08583	10.4
207.06567	1.7
207.10161	23.1
209.08128	1.9
211.07642	2.0
211.09581	2.2
213.09102	4.7
215.07022	6.9
215.10599	1.7
217.08589	26.9
219.01776	1.3
219.10220	8.6
221.08044	10.0
225.09161	1.5
227.07121	1.5
227.10657	3.0
229.08638	9.5
231.10144	8.3
233.08058	19.2
235.09686	3.5
237.09111	1.6
241.08571	3.0
243.10260	2.5
245.08055	2.6
247.09726	4.6
249.11272	6.6
251.09114	1.7
253.08629	2.0
253.12230	1.9
255.10130	2.3
257.08072	1.4
259.09692	17.0
261.11237	2.7
263.09067	1.7
271.09802	3.4
275.12842	5.9
277.10754	19.1
285.11270	3.9
287.12805	4.7
289.10718	7.9
293.10648	1.9
293.13870	6.2
295.11777	36.4
297.11258	2.9
299.12762	2.6
303.05106	2.2
307.11771	41.0
311.12408	2.3
313.14243	6.5
317.14108	2.5
323.12408	1.4
325.13037	4.5
327.14493	1.2
331.15405	23.1
332.15891	2.1
335.12570	1.2
341.13782	1.8
343.15405	9.1
355.15219	3.1
367.15421	3.1
371.15204	1.1
385.16550	1.8
397.16568	1.5
423.17978	3.1
441.19012	1.3
453.18964	1.8
459.20377	2.1
489.21066	1.9
522.37799	1.2
565.21423	1.2
685.05627	1.2
695.37665	1.1
712.15533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01873	13.2
55.05508	23.3
57.03433	13.5
57.07070	1.9
61.02912	4.4
64.94201	1.4
65.03941	2.3
67.05503	46.2
69.03427	4.2
69.06796	1.0
69.07073	13.7
70.84746	2.8
71.01339	1.7
71.04978	5.0
73.02916	4.4
73.06530	1.5
79.05490	70.8
81.03413	20.3
81.07056	44.4
82.04202	4.5
83.04978	18.2
83.08607	10.8
85.02890	5.5
85.06549	2.0
91.03899	1.3
91.05477	51.7
93.07040	57.1
95.04967	27.8
95.08607	22.2
97.02876	6.7
97.06515	10.2
97.10162	11.1
98.07309	5.1
99.08086	1.9
101.06055	1.3
103.05479	2.5
105.04491	2.4
105.07024	35.2
107.04955	12.4
107.08591	18.9
108.16982	1.2
109.02845	1.2
109.06524	8.5
109.10147	9.9
111.04448	2.0
111.08057	4.6
115.05399	1.8
116.04736	7.6
117.07021	7.9
119.07806	1.6
119.08590	22.1
121.06487	6.1
121.10156	7.1
123.08073	8.4
123.11655	1.3
125.09637	7.9
127.03889	1.3
128.06212	2.0
129.05489	19.9
129.06970	14.5
131.08546	6.2
133.10121	12.7
135.08038	4.0
135.11681	4.4
143.07037	5.0
143.08514	8.4
145.10112	13.7
147.08031	3.4
147.11691	33.5
149.09628	2.5
153.12772	2.5
153.37770	1.3
156.02037	1.4
157.08595	10.5
157.10114	4.3
159.11678	2.1
161.09593	3.5
161.13257	12.5
163.11147	10.5
171.06482	2.1
171.10254	2.9
171.11667	21.4
173.04384	1.5
173.09587	1.9
173.11803	1.9
173.13179	1.3
175.11264	1.9
177.12787	2.5
181.12288	2.5
189.11191	5.0
189.12772	8.4
191.10667	3.6
193.12238	3.5
199.13354	6.9
207.13818	20.1
209.11705	4.1
211.13359	2.7
212.13611	1.4
217.06506	1.3
222.05019	2.1
227.12735	12.7
229.14307	2.1
245.05083	4.6
246.05237	5.6
247.90868	1.5
263.06155	2.0
264.06000	1.9
265.14352	2.7
267.15945	3.1
269.17419	2.1
276.20337	1.8
281.17456	55.7
283.15442	9.8
286.07724	1.7
301.16467	41.0
305.07181	1.4
306.07455	3.0
327.70111	1.4
335.18698	2.0
405.26440	2.2
435.27481	13.6
461.28915	2.2
472.28036	2.8
473.28888	5.7
489.28418	11.6
490.29147	4.4
507.29510	100.0
508.29907	2.7
542.12006	1.7
542.34778	1.6
550.23718	1.3
562.06311	1.4
586.42133	1.3
680.37451	1.2
704.18286	2.8
704.41675	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	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26938	0.1
54.83383	0.1
55.05499	0.2
56.05042	0.7
57.03431	0.1
57.07055	0.1
58.06626	0.5
59.07378	0.1
60.08164	6.5
67.05512	0.4
69.07054	0.2
69.37145	0.4
69.37595	0.2
70.06586	0.2
71.07373	3.7
71.08621	0.1
79.05484	0.2
81.07048	0.5
83.01357	0.1
83.04967	0.1
83.08604	0.1
85.10193	0.1
86.09705	31.7
87.05947	0.1
87.10025	0.1
89.06031	0.1
91.05489	0.3
93.07043	0.2
95.08605	0.3
97.10200	0.1
98.98463	3.2
104.10746	2.2
105.07032	0.1
107.08582	0.2
109.10207	0.4
120.57629	0.1
123.11721	0.1
125.00005	21.4
133.10126	0.4
143.01126	0.2
143.35550	0.1
144.30086	0.1
151.11183	0.2
163.11261	0.1
166.02721	0.2
184.07339	100.0
185.07722	0.5
203.10158	0.1
222.98076	0.1
253.14360	1.2
271.15375	0.2
311.25793	0.3
326.71924	0.1
448.20389	0.1
492.17105	0.1
496.33884	0.2
507.36606	0.4
521.38696	0.1
563.42731	0.2
648.11346	0.1
704.44952	7.6
705.44989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99120	1.7
53.03934	3.2
55.01879	2.5
55.05502	3.0
57.03431	6.2
61.02932	25.5
67.05490	5.9
69.03424	15.6
69.07086	2.0
71.04994	3.7
73.02925	15.3
79.05489	5.0
81.03423	34.7
81.07065	6.4
83.04983	2.5
83.08653	1.8
85.02908	59.6
91.03963	21.4
91.05473	5.2
93.07036	6.2
95.01341	15.2
95.04961	3.4
95.08606	4.3
95.91933	1.6
97.02898	93.9
98.20699	3.7
99.00793	2.2
99.04455	12.6
103.03981	3.0
105.07053	3.6
107.04933	2.6
107.08583	4.6
109.02889	13.0
109.06534	2.0
109.10143	4.2
113.02397	2.6
115.03916	3.5
119.08596	4.4
121.06572	2.0
121.10152	2.2
123.08082	2.4
125.09641	1.8
127.03922	58.9
131.08545	2.8
133.04971	4.3
133.10114	4.2
135.09602	1.9
135.11745	2.0
135.92648	1.6
141.01836	49.6
143.46721	1.9
145.04958	24.9
145.10103	4.2
147.11656	3.3
157.10040	2.8
159.02937	13.9
163.06015	45.3
163.11186	2.7
165.09145	2.3
173.13171	1.9
177.03870	2.3
187.06021	100.0
189.16309	2.3
204.08771	2.0
205.05148	3.2
205.07091	65.6
211.13094	2.1
214.05730	1.9
235.16942	2.4
244.17949	1.6
265.05829	2.0
267.15973	3.4
283.15402	6.8
284.15826	2.2
303.07120	2.2
321.08194	4.0
363.09186	5.1
392.06430	1.9
402.09293	2.1
458.26489	2.7
475.26929	3.6
476.27258	4.9
601.26569	2.1
637.92175	2.1
682.31274	2.3
705.38068	9.7
724.71979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01853	1.7
57.03443	3.5
61.02927	11.4
69.03083	0.8
69.03432	12.5
69.39917	3.7
71.01341	1.0
71.04975	2.3
73.02917	14.5
81.03419	11.3
83.01311	0.8
85.02904	30.5
88.15525	0.5
91.03963	5.1
95.01336	3.1
95.04990	0.6
95.80281	0.5
97.02896	11.7
99.00815	0.6
99.04453	6.9
103.03974	3.0
105.30569	0.5
109.02884	12.6
115.03918	3.0
127.03916	37.0
128.70180	0.5
133.04961	9.7
141.01839	10.3
145.04968	16.1
159.02902	1.5
163.06013	7.5
169.04974	1.8
187.06015	34.4
205.07079	100.0
206.07465	1.2
345.08075	0.8
349.11057	0.8
363.09241	4.0
381.10388	0.9
467.37894	0.6
488.36237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01855	1.9
57.03430	3.9
58.98248	0.9
61.02925	22.4
62.91101	1.0
69.03431	12.9
69.84655	1.0
71.01331	1.3
71.04987	4.2
73.02924	12.9
79.05488	2.8
81.03418	26.9
81.07043	1.8
83.01345	1.4
83.08593	1.3
85.02904	59.2
91.03951	22.0
91.05482	2.2
95.01331	13.7
95.04955	1.6
97.02889	99.2
99.00816	1.6
99.04452	8.5
101.02349	1.3
103.03948	2.9
107.08570	1.1
109.02888	13.2
113.02366	2.5
115.03922	3.7
121.10150	1.3
127.03916	55.4
133.04955	4.3
141.01820	50.0
145.04961	27.6
145.05792	0.6
145.59143	1.2
149.32100	1.2
159.02882	12.0
163.06009	49.4
169.04930	1.3
177.03922	2.3
187.06012	100.0
205.07076	62.8
211.13315	2.3
227.12773	1.2
229.44247	1.2
283.15381	2.0
285.06070	2.4
297.17023	1.5
301.16592	2.1
321.08182	3.7
339.08981	1.5
363.09122	5.9
452.07346	1.1
509.27264	1.7
525.14313	2.1
737.09088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01861	2.1
55.02148	0.7
55.05505	1.7
57.03439	5.2
59.05003	0.8
59.33324	0.8
61.02929	22.0
63.85968	0.8
67.05492	2.2
69.03082	1.4
69.03429	17.8
70.31269	0.8
70.91080	2.3
71.01358	1.9
71.04996	4.6
73.02571	1.0
73.02925	15.8
79.05486	3.1
81.03420	31.2
81.07042	3.8
82.03744	1.0
83.01330	1.3
83.04980	1.4
83.08608	1.3
85.02905	57.9
86.03233	0.9
86.70494	0.8
91.03414	1.3
91.03960	22.9
91.04525	1.7
91.05476	1.9
93.07028	3.5
95.01333	18.0
95.04942	0.9
95.08597	2.5
97.02893	100.0
99.00818	1.9
99.04449	11.6
103.03926	3.7
105.07024	2.4
107.08580	3.0
109.02892	12.9
109.06507	1.0
109.10158	1.2
111.04453	0.9
113.02340	2.6
115.03903	2.8
119.08540	1.9
123.00755	1.2
123.04442	1.2
123.11687	1.1
127.03918	57.9
131.03375	1.3
133.04955	3.9
133.10129	2.6
135.11702	1.7
141.01833	50.0
141.63454	0.9
144.44501	0.9
145.04958	25.0
145.10088	1.4
147.11653	1.3
159.02887	11.1
163.06018	49.3
163.11212	1.4
165.09114	1.3
177.03938	1.8
187.06021	97.6
189.16350	1.8
202.93996	0.9
205.07080	59.3
206.07349	1.1
211.13239	1.0
227.12724	0.8
235.16957	0.9
267.15857	1.2
283.15424	3.3
285.06085	1.3
321.08151	3.2
339.09262	1.3
363.09235	4.7
373.58438	1.0
475.27026	1.5
476.27402	1.1
705.37463	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	705.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
56.30827	0.9
57.03428	3.4
61.02934	23.3
67.05509	1.7
69.03439	15.1
71.01369	1.9
71.04997	5.1
73.02924	13.9
75.64078	0.8
78.05119	0.8
81.03427	30.3
81.07066	2.2
82.82342	0.8
85.02912	62.1
86.03154	0.8
87.04466	1.7
91.03409	1.6
91.03964	22.5
91.05488	1.4
93.07064	0.9
95.01345	15.4
95.04951	1.1
95.08604	1.0
97.02901	100.0
99.00816	2.6
99.04456	10.7
101.02367	1.3
103.03941	4.1
105.07028	1.8
107.08604	1.4
109.02884	14.8
109.10159	2.3
111.04456	0.8
113.02370	3.0
115.03918	3.4
121.10162	1.4
127.03928	61.3
133.04993	3.7
135.11714	0.8
141.01845	52.4
145.04985	28.1
145.10181	1.1
159.02913	12.3
163.06032	41.6
165.09119	2.0
177.03990	1.5
187.06036	92.5
205.07098	59.3
219.05020	1.0
232.83774	0.9
237.44353	0.8
277.55762	1.0
285.06064	1.5
303.07126	1.8
321.08252	2.5
339.09219	2.1
363.09274	6.0
411.35080	0.8
431.67883	0.8
525.14410	1.1
705.38239	4.2
726.31055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01863	1.8
55.05498	1.1
57.03429	3.6
61.02641	1.0
61.02930	11.2
67.05505	1.4
69.03433	11.4
69.07054	0.9
71.01337	1.2
71.04987	2.8
71.52921	1.0
73.02921	14.7
76.27908	0.5
81.03425	13.2
81.07049	1.6
83.01327	0.8
83.04970	0.8
83.08641	0.5
85.02912	32.7
87.04452	0.9
87.57915	0.6
91.03956	4.8
91.05481	1.2
93.07076	1.0
95.01331	3.7
95.04988	0.8
95.08598	1.2
97.02901	16.4
99.00764	0.8
99.04454	6.0
99.52415	0.5
101.02361	1.1
103.03941	2.8
105.07030	1.0
107.08623	1.1
109.02884	13.9
109.06549	0.7
109.10160	1.6
113.02399	0.9
115.03925	3.7
119.08572	2.4
121.10123	0.8
123.08100	1.3
123.11745	0.7
127.03921	34.6
131.08582	0.8
133.04970	9.2
133.10107	1.5
135.11713	0.8
137.83086	0.5
141.01836	9.5
143.08432	0.6
145.04973	18.1
145.10132	1.1
147.11655	1.0
159.02924	1.6
159.11697	0.7
163.06030	8.4
165.09116	1.2
166.57932	0.7
169.05000	1.1
187.06027	34.4
189.16391	1.4
203.43404	0.8
205.07088	100.0
206.07394	1.4
207.17451	1.3
217.15927	0.7
226.67964	0.6
235.16985	1.1
321.08078	0.8
345.08197	1.1
349.11078	0.6
361.52438	0.6
363.09088	3.0
381.10287	1.7
451.13800	0.6
705.38629	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.6
53.47865	2.0
55.01876	12.6
55.05516	31.5
56.05015	2.0
57.03441	14.1
57.07077	4.5
60.08155	5.0
60.83732	2.0
61.02919	2.1
61.83543	1.9
65.03944	3.7
67.05508	69.1
69.03429	26.1
69.07068	24.7
71.05006	15.0
71.54128	1.6
73.02898	2.5
76.84173	1.8
79.05066	3.1
79.05497	49.4
81.03423	100.0
81.07063	65.4
83.04986	30.7
83.08620	21.9
85.02913	15.1
85.06494	3.3
86.09707	19.1
87.67939	1.7
90.91444	1.8
91.05489	39.7
93.07046	61.7
93.66770	1.7
95.04975	10.3
95.08610	42.7
97.02895	29.0
97.06544	11.4
97.10176	22.9
98.98458	2.5
99.04471	14.5
105.04551	2.9
105.07046	32.2
107.04989	10.3
107.08601	45.2
109.02878	28.0
109.06519	6.8
109.10161	30.4
111.04447	24.4
111.08086	11.5
115.05478	2.1
117.07027	22.6
119.08588	29.6
121.06481	5.2
121.10145	30.3
123.04433	3.9
123.08078	7.0
123.11707	4.3
125.00005	13.0
125.09630	15.4
127.03928	18.1
128.06271	4.2
129.05452	3.9
129.07005	11.0
131.08580	25.6
133.06468	2.5
133.10144	19.5
135.08025	4.6
135.11691	29.1
137.09665	2.8
139.11183	3.0
141.06953	3.1
143.08575	13.3
145.06480	3.3
145.10127	28.0
147.08054	4.0
147.11703	14.9
149.09587	5.1
149.13266	6.8
153.09122	2.0
153.12758	24.5
155.08566	8.0
157.10129	8.5
159.08076	2.4
159.11699	17.6
161.09669	2.6
161.13229	8.9
163.11188	24.6
163.59496	1.9
169.10141	7.4
171.07881	1.9
171.11673	10.2
173.04472	32.9
173.09619	5.8
173.13231	10.5
175.11142	2.6
175.14836	4.6
181.10085	4.1
181.12239	24.4
183.08194	2.4
183.11690	5.5
184.07341	57.5
185.07767	2.7
185.13226	6.1
187.11229	2.7
187.14871	6.0
189.11287	9.9
191.10689	17.4
193.12265	4.0
197.13274	4.5
209.11577	11.2
211.13182	3.4
211.14967	2.8
213.12762	2.6
227.12802	44.2
243.21094	4.6
259.20526	5.5
261.22067	6.7
273.22049	2.4
283.15390	23.1
291.22903	2.4
299.20517	2.2
299.23682	10.6
301.16437	4.6
301.21536	3.6
315.23196	2.6
317.24725	4.7
333.24338	4.8
335.25845	43.3
341.24683	2.1
353.15851	6.6
353.19891	2.4
369.24222	7.8
385.23724	2.4
387.25467	3.9
427.19547	14.0
433.30872	4.7
441.33813	2.1
451.31973	7.6
469.33237	5.9
487.34305	2.8
515.37115	6.6
525.35834	18.3
541.34680	2.2
543.36804	67.5
561.37976	12.3
608.27264	1.9
651.38922	3.9
669.39368	4.4
687.29999	2.1
687.40948	28.6
705.31061	3.3
705.42175	40.7
706.44861	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	14.9
55.01869	14.8
55.05266	2.8
55.05515	36.2
57.03440	11.9
57.07073	5.8
59.05000	2.5
61.02924	3.9
65.03944	3.0
67.05511	77.1
69.03436	34.1
69.07070	20.2
71.05007	18.7
71.53629	2.2
73.02924	3.0
79.05496	53.2
81.03423	100.0
81.06587	3.7
81.07063	69.0
83.01366	2.7
83.04982	30.5
83.08627	17.8
85.02895	10.9
85.06561	4.8
85.10205	2.3
86.09718	11.7
87.04466	2.8
88.26677	2.2
91.05483	41.3
93.07053	56.0
94.68225	2.1
95.04974	14.3
95.08619	44.7
97.02905	28.0
97.06534	9.9
97.10172	21.1
99.04460	11.8
105.04544	2.7
105.07033	40.2
107.04948	8.8
107.08604	40.8
109.02895	17.4
109.06516	6.7
109.10156	26.3
111.04449	25.2
111.08087	11.9
115.05449	2.4
117.07024	19.7
119.08589	30.1
121.06522	4.6
121.10142	23.3
123.04423	3.1
123.08077	5.8
123.11710	5.9
125.00024	7.2
125.09608	20.9
127.03939	16.3
128.06181	4.3
129.05481	5.1
129.06993	14.5
130.07808	2.1
131.08574	32.1
133.10130	22.6
135.08075	4.9
135.11697	26.3
141.06964	2.7
141.85536	2.2
142.07736	3.4
143.08546	11.8
145.06488	2.3
145.10141	30.4
147.08109	4.4
147.11702	17.7
149.09625	6.9
149.13239	7.3
153.09125	3.4
153.12729	22.1
155.08589	6.8
157.06517	2.0
157.10107	12.3
159.11763	14.6
161.09607	2.7
161.13283	7.3
163.11194	19.6
167.08614	3.0
169.10141	8.3
171.08057	2.8
171.11710	12.5
173.04485	36.5
173.09613	7.1
173.13316	14.3
175.11189	4.4
175.14890	3.2
181.10330	3.4
181.12259	21.9
183.11690	5.6
184.07364	30.8
185.13289	6.8
187.11185	3.8
187.14877	7.8
189.11234	11.9
189.12741	3.5
191.10663	16.1
193.12195	3.8
195.11737	3.1
197.13293	4.3
199.11237	2.3
199.14902	4.0
209.11731	6.9
209.13405	2.8
211.14876	4.3
215.14220	2.7
227.12784	50.2
227.14914	4.0
241.19682	3.6
243.15971	2.5
243.21204	2.6
259.20667	3.5
261.22183	8.8
262.50702	2.2
283.15408	22.2
299.23642	8.1
301.16479	5.7
301.21729	4.0
317.24634	5.4
327.23193	2.6
333.24115	4.6
335.25888	29.0
341.24792	2.4
351.23178	2.7
353.16089	5.6
357.24310	3.5
367.43503	2.4
369.24390	8.4
427.19611	17.5
433.31256	5.3
451.32272	9.2
469.33093	10.9
515.37299	6.2
525.35901	21.2
529.11804	2.4
541.34625	3.2
543.36810	83.8
561.37561	8.6
608.26123	3.1
651.38855	4.7
669.39331	5.8
687.40936	31.9
705.42065	48.7
706.44122	2.1
708.01410	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	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
53.03949	12.1
55.01869	16.7
55.05271	2.5
55.05517	39.3
57.03436	13.8
57.07076	5.1
59.04994	2.1
61.02932	3.2
63.26411	2.0
65.03934	6.3
67.05511	79.7
69.03437	31.0
69.07077	23.1
71.02870	2.1
71.04991	15.3
73.02933	3.1
79.05501	65.5
81.03425	100.0
81.06584	4.2
81.07064	76.9
83.04991	31.9
83.08633	16.5
85.02922	14.4
85.06534	6.0
86.09720	4.2
91.05492	57.5
93.06478	3.5
93.07054	63.4
95.04981	16.6
95.08057	3.6
95.08622	45.2
97.02900	29.1
97.06550	17.2
97.10181	16.8
99.04445	9.4
101.02351	4.6
105.07053	41.3
105.39503	2.0
107.04968	8.7
107.08606	45.3
109.02878	26.5
109.06557	4.7
109.10171	21.9
111.04446	25.3
111.08054	13.2
115.05477	2.6
117.07024	22.2
119.08591	36.3
121.06512	6.2
121.10155	28.5
123.08085	4.4
123.11697	7.7
125.00029	3.3
125.09638	13.1
127.03929	22.0
129.05482	3.5
129.07001	13.1
129.30762	2.2
131.08589	34.1
133.06473	2.9
133.10153	29.0
135.08061	5.2
135.11700	27.1
141.07068	3.6
143.08594	9.4
145.06490	5.1
145.10159	31.7
147.04359	2.2
147.08037	4.9
147.11684	17.9
149.09587	5.2
149.13255	8.7
153.12749	17.4
155.08571	6.7
157.06563	2.8
157.10139	9.4
159.08061	3.0
159.11707	14.4
161.09645	2.5
161.13268	8.1
163.11197	23.5
163.14766	4.9
165.09026	2.3
169.10138	6.2
171.11723	6.3
173.04478	28.8
173.09645	7.8
173.13257	9.5
175.11134	3.6
177.12843	3.3
181.10124	2.6
181.10625	2.4
181.12263	21.4
183.11720	5.4
184.07367	17.5
185.07921	2.5
185.09613	3.3
185.13297	6.3
187.11139	3.4
187.14818	5.4
189.09518	2.0
189.11212	8.9
191.10646	15.0
193.12308	4.3
195.11836	3.3
195.13666	2.3
197.13322	2.9
199.14844	2.8
201.12650	2.2
209.11714	9.8
209.13458	2.7
213.16553	3.3
223.14989	2.6
225.16513	3.9
227.12753	44.0
227.14880	2.7
243.21100	3.3
259.20718	4.2
261.22205	7.7
269.17462	3.0
275.20114	10.0
283.15521	21.6
283.24835	2.5
284.29556	2.5
299.23700	8.4
301.16620	3.9
301.21585	3.5
317.24744	3.5
323.10855	2.4
333.24179	3.7
335.25803	39.6
351.23322	3.1
353.15845	8.0
369.24200	6.5
371.16904	2.8
413.22034	3.8
423.32581	2.9
427.19757	12.0
433.30865	5.3
451.32147	5.4
462.21811	4.5
462.71698	2.7
469.32852	3.5
515.36902	3.6
525.35858	13.6
541.35071	2.3
543.36902	60.9
544.37158	2.9
561.38220	11.7
613.36279	2.4
669.39484	6.0
687.41107	34.7
705.42419	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
54.39087	0.7
55.01883	3.4
55.05514	15.1
56.96572	0.8
57.03228	0.7
57.03442	7.2
57.07072	2.5
57.88211	0.6
59.04999	0.7
61.02931	10.2
65.03938	1.9
67.05508	28.5
67.15452	0.7
69.03432	11.4
69.07071	9.5
71.01348	1.2
71.05009	4.2
73.02920	6.0
77.03954	0.9
79.05494	21.0
81.03422	26.8
81.07060	26.2
83.04987	7.9
83.08622	11.4
85.02905	13.0
85.06536	2.6
86.09666	0.7
87.04426	0.8
91.03970	6.0
91.05483	23.5
93.07052	23.6
95.04964	9.7
95.08607	15.7
97.02894	13.7
97.06516	3.9
97.10165	9.0
98.20619	1.5
99.04469	2.7
101.02396	1.4
103.05517	0.9
105.07033	22.9
107.04980	4.7
107.08593	14.8
109.02872	4.1
109.06518	3.1
109.10150	11.9
111.04442	4.3
111.08096	2.9
113.43813	0.7
115.05490	1.6
117.07026	12.4
119.08587	19.0
121.06551	3.9
121.10141	9.4
122.28700	0.7
123.04414	0.9
123.08070	1.9
123.11688	3.4
125.09617	5.8
127.03912	6.3
128.06248	2.6
129.05502	1.5
129.07013	10.1
130.07829	0.9
131.04964	1.4
131.08566	16.9
133.06508	2.1
133.10141	13.5
135.08049	3.6
135.11684	5.8
135.74741	0.8
137.09631	2.1
139.03802	0.8
141.01857	1.4
141.06985	3.3
142.07787	2.7
143.08571	9.7
145.04916	1.3
145.06483	1.2
145.10118	12.3
147.08057	3.0
147.11691	11.1
149.09631	3.6
149.13297	3.2
153.09161	0.9
153.12740	1.4
154.07761	1.0
155.08572	6.8
156.09370	1.0
157.06610	1.4
157.10150	13.0
159.08066	3.9
159.11697	10.0
161.09653	2.0
161.13257	5.5
163.11223	3.8
163.14822	1.3
165.07108	1.1
165.12808	0.8
167.08598	2.9
169.10088	7.2
171.08047	2.2
171.11649	7.3
173.04480	2.4
173.09660	2.8
173.11859	1.5
173.13216	6.8
175.11226	3.0
175.14839	2.7
177.12788	1.2
179.08569	1.4
181.10130	3.9
181.12271	2.4
182.10794	0.9
183.11737	6.9
184.07370	1.0
185.09680	2.2
185.13258	7.0
187.06036	2.0
187.11212	2.2
187.14865	2.6
189.11217	1.8
189.16469	1.1
191.10709	1.4
191.14354	1.0
193.10315	1.6
193.12273	6.7
195.11699	4.4
195.13490	0.8
197.09634	1.3
197.13292	5.9
199.11267	1.5
199.14880	2.8
201.12744	1.6
201.16420	1.0
203.14359	0.9
205.07123	1.2
207.11737	2.1
209.13287	3.7
211.11325	1.2
211.13321	10.5
211.15005	1.9
213.12727	1.4
213.16422	1.0
215.18074	0.9
219.11749	1.0
221.13269	1.7
223.14905	1.4
225.12825	1.1
227.12642	3.7
229.14301	1.8
229.53625	0.9
235.14954	1.1
237.12766	1.0
237.16383	0.9
241.19672	3.6
243.15785	1.0
245.18857	0.9
256.43231	0.7
257.19025	1.5
259.20624	9.8
265.19580	1.0
267.15933	3.2
275.20190	2.1
277.21823	1.0
283.15396	1.3
283.20645	1.8
285.16888	3.4
295.20807	1.3
297.22141	2.1
299.20648	1.0
299.23544	3.5
301.21625	2.1
307.20511	0.8
313.21674	1.6
315.19937	0.8
315.23215	2.6
317.24722	0.8
325.21555	1.9
333.24329	8.2
335.25864	1.2
339.23184	1.8
343.22696	0.9
345.24106	1.0
349.21539	1.3
351.23016	1.2
353.24628	0.8
357.24319	1.9
367.22607	1.5
369.24612	0.7
371.25961	1.2
385.23419	1.0
403.25198	1.8
415.30176	1.8
421.25858	3.2
423.32623	1.3
429.21347	2.4
431.28290	0.8
433.31064	5.0
435.27563	2.8
439.35574	1.1
441.26428	1.2
449.29776	0.8
451.32251	9.2
459.27533	1.1
469.33163	2.6
489.33835	1.2
499.34219	1.0
507.34616	2.1
515.37122	1.3
525.35767	24.5
526.36896	1.0
531.35693	1.0
541.35590	2.1
543.36841	100.0
544.36780	2.6
555.37506	0.9
561.37921	1.7
567.36938	1.6
579.37140	0.8
585.37622	2.2
633.37903	1.3
639.38385	1.1
651.38904	7.0
669.40143	5.0
687.41028	10.1
705.31104	1.3
705.42145	20.2
706.42474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56402	0.5
52.16055	0.4
53.03738	0.4
53.03943	3.0
53.23655	0.5
55.01855	1.3
55.05500	2.7
57.03427	1.7
57.07072	1.0
61.02912	1.4
65.03909	0.6
67.05507	5.2
69.03426	7.2
69.07062	3.1
69.52950	2.9
71.04981	1.4
73.02900	1.2
79.05485	5.0
81.03416	6.2
81.07059	9.9
83.04958	0.9
83.08629	3.0
85.02905	14.4
85.06541	1.0
87.00826	4.7
91.03944	0.6
91.05474	5.8
93.06472	0.9
93.07044	15.0
94.04877	0.4
95.04968	2.0
95.08604	25.3
97.02888	6.1
97.06528	1.7
97.10165	1.3
99.04447	3.0
103.05420	0.6
105.01883	3.2
105.07031	11.6
107.04946	0.8
107.08596	15.3
109.02880	8.1
109.06537	3.2
109.10165	5.6
111.08092	4.0
115.03930	0.6
115.05438	0.6
117.07014	1.1
119.08585	22.8
121.06499	4.9
121.10152	6.1
123.08072	26.7
123.11715	2.2
125.06023	2.5
125.09559	0.5
127.03920	11.2
128.01559	0.5
129.01843	0.5
129.06985	0.5
131.08620	2.5
132.08891	0.6
133.06502	1.0
133.09108	1.1
133.10127	22.4
135.08057	2.0
135.11688	17.9
137.09596	1.5
137.13249	0.7
139.07539	36.8
141.01831	1.0
143.08592	1.2
145.04967	3.1
145.10141	4.2
146.81111	0.5
147.02870	0.5
147.08052	1.9
147.11688	11.8
149.09602	1.6
149.13281	2.4
151.07541	8.2
151.11145	2.2
153.09084	0.7
157.10130	2.5
159.02890	3.1
159.11699	6.4
160.12459	0.7
161.09642	4.0
161.13266	2.9
163.05972	1.0
163.11174	0.8
163.14803	3.8
165.09074	1.2
165.12709	1.0
171.11655	0.9
173.13249	2.3
175.11191	2.0
175.14839	1.1
187.06007	2.1
187.14838	3.1
189.12798	1.5
189.16380	63.4
199.14784	4.6
203.18021	0.7
205.07047	3.0
205.15869	8.1
207.17442	44.3
208.17780	0.8
213.04085	0.6
214.63455	0.5
217.15860	14.1
226.81322	0.5
231.05008	3.6
233.18962	0.7
235.16920	100.0
236.17345	1.0
251.20064	1.5
283.15549	0.7
317.24887	0.8
351.98584	0.4
374.59277	0.5
439.29877	0.8
439.35712	13.1
445.72009	0.5
457.36777	40.0
458.36896	1.0
465.40115	0.5
483.22223	0.7
687.30035	1.0
687.41034	15.3
705.17798	0.9
705.31390	0.7
705.42188	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.8
55.01870	14.2
55.05512	37.2
57.03440	12.2
57.07061	4.3
61.02931	2.2
65.03938	4.3
67.05508	76.3
69.03078	2.5
69.03436	28.6
69.07068	22.6
69.52472	8.7
69.52875	6.0
71.04996	16.3
73.02921	4.1
79.05060	4.3
79.05496	60.3
81.03422	100.0
81.07060	75.5
83.04982	29.9
83.08627	21.5
85.02906	15.1
85.06548	3.9
87.04461	2.7
91.05479	46.0
93.07048	62.9
95.04978	13.5
95.08048	4.3
95.08609	45.5
97.02892	29.4
97.06528	14.8
97.10165	17.9
98.21434	4.2
99.04464	15.9
99.08105	3.2
100.67720	2.2
105.07037	38.5
107.04981	8.9
107.08599	43.9
109.02880	24.6
109.06508	8.3
109.10160	27.8
111.04478	23.9
111.08104	10.8
117.07016	21.1
118.67068	2.4
119.08587	33.6
121.06504	7.7
121.10156	26.2
123.08078	5.4
123.11730	5.9
125.09620	13.5
127.03928	17.5
129.05486	5.3
129.07010	12.5
131.04984	2.8
131.08572	30.8
133.06526	5.2
133.10146	24.4
135.08122	4.8
135.11697	21.5
137.09666	2.8
137.13300	2.3
141.06998	4.4
142.07811	2.9
143.08578	13.1
145.06485	3.6
145.10109	29.4
147.04338	2.5
147.08105	5.8
147.11702	16.7
149.09633	7.1
149.13269	8.6
153.12752	16.6
155.08514	5.1
157.10117	15.6
159.08060	3.5
159.11687	19.2
161.09610	2.8
161.13239	11.2
163.11119	17.9
163.14803	3.1
167.08499	2.4
169.10167	7.1
171.11716	6.7
173.04460	33.6
173.09610	5.9
173.13245	11.0
175.11174	3.2
175.14780	3.0
177.12749	3.6
181.09982	4.1
181.12219	17.6
183.11719	4.7
184.07379	5.8
185.09772	3.8
185.13257	3.4
187.14922	4.3
189.11224	9.0
191.10646	13.7
193.12238	4.5
195.11693	3.1
197.13278	5.8
199.11336	2.4
199.14819	5.0
201.12854	2.8
207.11668	2.9
207.32280	2.2
209.11745	9.7
209.13441	2.7
211.13101	3.2
213.16325	2.7
227.12756	50.2
243.21095	2.9
259.20581	2.9
261.22177	10.0
261.24911	2.3
265.19330	2.4
267.15674	2.3
271.20605	3.1
283.15347	26.5
283.20401	2.4
299.23761	4.9
301.16446	6.3
301.21597	3.7
313.21570	2.9
317.24731	5.8
323.10605	9.3
333.24506	4.1
335.25784	25.8
339.23077	2.6
351.23135	4.8
353.15970	7.3
369.24155	6.9
378.42953	2.6
427.19727	16.4
433.30908	8.5
443.22385	2.5
451.32047	5.2
456.12842	2.4
460.58200	2.5
461.29224	3.5
462.22086	11.1
462.71808	5.2
469.33078	5.0
479.30014	3.4
487.34616	2.4
515.36938	4.9
516.87543	2.9
525.35815	19.0
543.36841	72.9
561.38208	10.7
651.38867	2.9
669.39874	10.4
687.41022	26.4
705.42133	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	1.0
52.35444	1.2
53.03933	3.4
55.01882	6.8
55.05511	15.6
57.03435	14.5
57.07081	1.3
61.02919	5.0
65.03934	2.6
67.05505	33.3
69.03433	10.1
69.07063	9.1
71.01344	4.5
71.05015	5.5
71.11691	1.1
71.54453	2.2
73.02921	2.6
79.05490	25.6
81.03417	41.1
81.07062	31.4
81.36984	1.2
82.03747	1.3
83.04989	13.0
83.08615	17.2
85.02424	1.8
85.02905	20.4
85.06522	3.9
91.03962	2.6
91.05486	34.0
93.06476	1.8
93.07041	27.6
95.04974	20.4
95.08614	12.3
97.02879	6.6
97.06515	6.0
97.10171	7.2
99.04446	3.2
99.08083	3.4
105.07037	27.6
105.23466	1.1
107.04948	5.8
107.08601	18.7
109.02879	3.0
109.06546	6.3
109.10172	21.0
111.04420	3.3
111.08059	8.4
113.06019	2.0
115.05436	2.9
115.07496	1.3
117.07015	4.2
119.04926	2.1
119.08586	17.7
121.06470	2.9
121.10146	13.8
123.04411	2.9
123.08077	4.3
123.11703	5.8
125.09631	4.1
127.03905	3.4
128.06216	1.6
129.07050	6.1
131.04953	2.1
131.08571	11.7
133.06546	2.1
133.10127	32.3
133.85495	1.3
135.08031	3.4
135.11656	5.7
137.05957	7.5
137.09590	3.4
137.13316	1.2
139.03908	2.1
142.07732	2.0
142.85922	1.3
143.08534	2.8
145.10114	5.4
147.08058	3.1
147.11697	9.3
149.05914	1.3
149.09610	7.4
151.03925	1.8
151.07535	4.2
151.11179	12.2
155.72957	1.3
157.10123	8.9
161.09590	4.1
163.11143	5.5
165.09137	2.2
165.12846	1.5
167.10716	1.3
169.12213	3.5
173.09558	1.3
175.11148	9.5
179.10670	2.4
189.09140	2.6
193.12250	28.3
195.38243	1.4
207.10100	2.0
209.11728	4.3
211.13284	47.8
215.12613	1.7
219.10033	1.7
225.11092	1.7
227.12778	4.1
243.12234	2.6
253.14264	1.7
267.15955	16.3
281.13974	2.2
283.15424	8.7
285.10214	1.4
285.16983	39.7
299.14880	53.5
301.16507	2.5
313.03418	3.8
315.01437	2.4
330.03775	3.3
331.15369	2.8
345.02109	2.3
345.06036	26.9
408.26889	1.1
459.27249	3.2
473.25082	1.3
477.28372	2.3
491.26419	17.7
509.27487	100.0
510.27872	2.9
544.86621	1.3
655.19867	1.3
706.38812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.1
53.03942	1.8
55.01865	3.5
55.05265	0.9
55.05516	14.4
57.03440	9.0
59.04993	1.8
59.41619	0.7
61.02937	3.6
65.03955	1.1
67.05506	15.0
69.03429	3.4
69.07076	3.9
71.01360	1.2
71.05003	3.7
71.54958	0.8
73.02924	2.6
76.49799	0.6
77.53763	0.6
79.05499	15.3
81.03423	40.5
81.07061	22.2
83.04981	8.8
83.08627	18.8
85.02909	14.6
85.06553	2.2
85.38785	0.6
91.03947	1.0
91.05485	24.8
93.07043	15.1
95.04977	15.7
95.08612	7.1
97.02889	6.7
97.06543	4.4
97.10177	2.9
99.00822	9.6
99.04443	0.9
99.08092	1.0
103.05514	1.1
105.07038	20.5
107.04961	7.7
107.08606	6.8
109.02877	7.1
109.06498	4.4
109.10143	4.7
111.04449	3.1
111.08092	8.2
113.06014	1.8
115.03952	1.9
115.05443	0.8
117.07024	2.8
119.04936	0.8
119.08588	13.5
120.58041	0.6
121.06517	5.3
121.10156	6.5
123.04465	1.2
123.08065	2.5
123.11722	2.5
125.09627	1.5
127.03918	2.9
128.06236	0.7
129.07002	6.6
131.08583	6.4
132.78447	0.7
133.06497	2.6
133.10138	27.2
135.08061	1.5
135.11699	1.7
137.05959	1.1
137.09636	2.1
139.07564	2.4
142.07822	1.8
143.08589	2.9
145.06534	0.7
145.10146	2.6
147.08051	2.7
147.11694	7.8
149.09595	4.9
151.11180	6.8
157.10132	7.7
161.09624	11.2
163.11180	2.9
165.09077	1.0
165.12773	2.2
171.08066	1.8
175.11192	8.7
179.10693	6.0
189.09114	5.9
193.12248	24.5
197.11797	1.3
207.10207	2.1
209.11844	1.2
211.13307	41.9
225.11244	7.1
227.12891	1.7
229.14284	0.9
243.12279	0.8
267.13013	0.8
267.15933	18.5
281.13803	3.4
283.15411	3.4
285.16983	41.6
286.17383	0.6
299.14893	53.4
301.16562	2.3
365.10919	0.8
445.26071	0.9
459.27533	2.2
463.26932	1.1
473.25745	3.0
477.28506	3.4
491.26413	14.8
495.29395	3.0
506.24988	0.7
509.27484	100.0
510.27795	3.4
706.38403	1.9
707.39398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01870	6.0
55.05515	16.8
57.03447	9.4
57.07076	2.4
59.05006	3.4
61.02932	7.1
63.55107	1.6
67.05511	56.9
67.23373	1.4
69.03433	6.1
69.07085	7.9
70.38421	5.3
71.01339	2.1
71.05003	23.8
73.02904	3.2
79.05505	30.0
81.03423	17.5
81.07066	89.0
82.86837	1.4
83.01347	8.4
83.04998	13.0
83.08220	1.4
83.08640	12.3
85.02914	10.4
85.06556	9.3
91.03953	4.2
91.05492	31.9
91.06016	1.1
93.07047	35.9
95.04982	8.5
95.08614	16.6
97.02888	9.0
97.06535	10.6
97.10195	3.2
99.04443	3.7
99.08119	2.4
100.32123	1.6
105.07049	15.6
107.04970	7.5
107.08600	23.2
109.02879	1.8
109.06523	6.5
109.10159	12.2
111.04443	4.1
111.08096	4.8
117.07022	7.6
119.08599	13.5
121.06519	5.2
121.10159	11.1
123.08062	8.5
123.11713	19.0
125.05997	2.8
125.09605	2.5
127.03893	4.2
129.06998	3.5
131.08571	6.4
133.10150	19.1
135.11710	14.7
145.10118	14.6
147.08073	3.1
147.11638	2.4
149.09628	2.5
149.13243	6.3
151.11203	9.3
153.12761	2.3
157.98961	1.6
159.11665	5.0
163.11212	22.7
173.09680	4.2
177.12839	2.2
181.12218	2.5
183.13826	2.3
187.13321	6.6
191.10641	3.4
195.13773	2.4
209.11729	3.8
227.12802	2.3
233.40233	1.7
257.17453	1.9
269.17526	7.5
283.15436	21.0
301.20160	10.8
327.07736	1.6
451.26926	83.3
459.27606	3.5
465.28543	4.2
477.28552	43.2
479.74692	2.1
509.31226	100.0
510.31461	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	706.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05042	0.7
57.07072	0.2
58.06623	0.5
59.07139	0.1
59.07400	0.2
60.08168	6.1
65.63444	0.1
67.05514	0.3
69.07065	0.1
70.06593	0.1
71.07379	3.1
71.08619	0.1
79.05495	0.2
80.97469	0.1
81.03421	0.2
81.07060	0.3
83.08621	0.1
85.02909	0.1
85.76921	0.1
86.09712	31.2
86.25598	0.1
87.04460	0.3
87.10045	0.1
89.16312	0.1
91.05456	0.2
93.07042	0.1
95.08613	0.2
98.20802	0.2
98.98473	3.0
104.10753	2.7
105.07024	0.1
107.08556	0.1
109.10150	0.1
125.00014	20.6
143.01057	0.1
149.38991	0.1
166.02681	0.1
184.07353	100.0
185.07718	0.5
186.08043	0.1
193.12244	0.1
335.25867	0.1
468.24298	0.1
474.66391	0.1
478.33554	0.1
496.34027	0.2
523.39960	0.1
688.45056	0.1
706.46588	9.0
707.46771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
69.03439	0.8
70.22786	0.3
70.23189	0.3
70.98258	0.7
72.53975	0.3
73.02949	0.5
81.03461	0.3
81.11418	0.3
82.99917	1.5
85.02906	2.1
92.42403	0.4
94.99894	0.5
97.02892	0.8
98.97635	0.4
99.04464	0.4
101.00889	5.8
109.02892	0.6
110.01430	0.3
113.00909	1.8
119.01935	8.5
122.01402	3.2
122.51488	0.5
127.02424	2.4
127.03952	1.3
128.01437	1.6
129.00348	0.5
129.03990	0.4
131.01933	6.4
131.51985	0.4
134.01399	0.7
137.01935	2.8
137.02916	0.6
139.02473	0.8
139.04024	0.4
143.01910	22.5
143.52010	1.1
145.03488	6.2
145.04749	0.4
147.01404	0.9
149.01909	1.0
152.02467	2.5
152.52499	0.3
153.03986	0.6
155.01910	10.7
157.03487	3.5
158.02449	0.7
161.02979	12.6
161.53070	0.4
162.95992	0.4
163.04616	0.4
164.02434	1.1
167.01917	8.9
167.03131	0.5
169.03485	2.8
171.05072	1.2
173.02982	17.8
173.52980	1.5
174.03026	0.4
175.04555	0.6
179.01807	3.8
179.03287	0.6
181.03542	0.6
182.03520	1.0
184.04646	0.5
185.02962	31.2
186.03273	0.7
187.04541	2.6
188.03528	0.5
189.06104	0.3
191.03995	0.8
193.03557	0.4
194.03506	2.0
194.53654	0.3
195.84239	0.3
197.02974	11.6
199.04549	1.0
203.03873	10.5
203.54030	0.4
208.04691	0.5
209.02975	1.5
212.04565	0.5
215.04031	7.1
221.03186	0.6
221.05130	1.9
224.04529	1.5
224.54507	0.7
227.04015	8.7
233.05174	0.7
239.04068	0.7
245.05092	100.0
246.05383	1.8
254.05640	1.3
257.05093	5.3
263.06152	12.3
273.08270	0.6
275.06146	15.5
284.06610	6.4
284.56760	1.9
286.07803	0.5
287.06107	0.9
293.07349	2.5
305.07199	12.8
317.07159	0.5
335.08234	3.7
347.08047	1.0
364.09460	1.0
364.59412	0.5
365.09418	46.9
365.59378	2.2
366.09396	1.3
383.10495	2.1
407.10147	0.6
425.11453	41.8
426.11502	1.0
437.11563	3.1
455.12537	3.2
479.12405	0.4
485.13708	0.9
527.14185	0.8
536.14941	0.5
581.71967	0.4
632.71741	0.3
662.98236	0.3
723.52783	0.4
723.83942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77385	0.8
51.02386	1.1
53.03948	11.2
55.01879	6.2
55.05516	31.6
57.03443	21.1
57.07075	2.8
59.04982	1.2
61.02929	2.1
65.03954	6.3
65.84567	1.0
65.84970	1.0
67.05511	78.5
69.03082	1.7
69.03435	21.5
69.06731	1.4
69.07076	19.9
71.01366	1.6
71.05009	8.9
73.02910	2.6
73.39436	1.1
79.05499	62.5
79.53413	1.1
81.03425	100.0
81.07063	80.7
82.07349	1.1
83.04989	39.3
83.08627	29.6
83.09122	1.6
85.02910	20.8
85.06519	3.5
91.04900	1.6
91.05489	52.0
93.07052	60.3
94.07377	1.1
95.04980	26.1
95.08615	56.3
97.02901	18.8
97.06556	8.6
97.10178	8.6
99.04475	6.0
99.08095	2.6
103.03920	2.1
105.04568	1.8
105.07038	44.2
107.04998	8.7
107.08607	31.9
109.02895	9.4
109.06534	7.0
109.10160	24.7
111.04450	16.5
111.08086	12.9
111.76743	1.1
113.06022	2.6
115.03931	1.2
115.05447	3.0
117.07010	12.6
119.04967	1.4
119.08589	34.1
121.06500	2.9
121.09328	2.3
121.10152	31.5
123.04420	1.6
123.08068	3.5
123.11724	7.8
123.37243	1.1
125.05966	1.0
125.09641	4.7
127.03922	9.8
128.06172	1.6
129.05539	10.8
129.06992	16.2
131.08582	25.6
133.06483	3.3
133.10146	19.6
134.08951	1.0
134.25897	1.1
134.28979	1.4
135.08112	2.0
135.11705	16.3
137.09685	2.5
137.13257	1.9
141.06956	1.4
142.07809	3.6
143.08554	6.1
145.04912	1.1
145.06549	1.7
145.10143	13.2
147.08058	3.9
147.11694	22.2
149.09633	6.0
149.13313	5.4
151.11203	1.7
153.12712	4.1
155.08592	4.8
156.09222	1.3
157.06467	1.8
157.10132	14.8
159.11682	8.8
161.09761	1.1
161.13248	5.0
163.11139	5.5
163.14783	2.4
165.12744	4.8
167.08627	1.4
169.10114	2.3
171.08031	2.0
171.11708	4.0
173.09631	2.9
173.13284	5.0
175.11214	12.3
175.14868	2.9
177.16483	1.5
181.12238	4.2
183.08131	1.3
183.11722	4.0
183.79730	1.0
185.13295	2.4
187.14890	2.1
189.11208	1.5
189.12845	1.4
191.10698	5.6
193.10403	2.3
193.12245	43.3
197.13304	1.5
209.11618	2.1
211.13301	66.9
215.14528	1.1
223.14845	1.2
227.12683	9.1
229.14383	4.6
235.13176	1.5
243.21054	2.6
249.15005	1.6
252.36089	1.1
259.20630	1.3
261.22159	9.7
265.14380	1.2
267.08990	4.4
267.15909	14.4
273.22177	1.3
277.21735	2.3
283.15408	4.8
285.10159	6.0
285.16956	22.5
301.21777	2.6
301.25235	1.6
303.23068	1.3
309.17361	1.3
317.24744	1.9
319.22745	1.1
324.11453	2.3
327.23373	1.8
331.74368	1.3
335.25827	67.3
336.26053	2.6
337.16306	2.1
337.27264	4.4
351.22949	2.6
353.15836	1.7
355.17566	4.2
359.25751	1.6
369.24203	6.7
387.25281	2.9
405.26340	3.0
411.20251	2.6
427.20120	1.4
429.21216	17.0
435.32452	2.8
443.27759	2.2
453.33749	1.7
461.28885	3.5
463.22818	5.1
463.72974	1.8
479.29956	3.1
514.44733	1.3
527.37274	10.8
545.38446	69.7
546.38568	2.7
580.72144	1.3
653.40216	3.8
671.41711	6.0
689.42584	36.9
690.43231	1.4
707.42670	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
51.94324	1.4
53.03953	11.8
55.01879	8.2
55.05515	30.6
56.96561	2.2
57.03441	16.9
57.07075	1.8
59.04991	1.9
61.02925	4.0
65.03946	3.2
67.05508	73.3
69.03431	20.5
69.07079	17.1
69.39622	5.3
69.40050	6.9
71.04993	11.2
73.02923	3.4
79.05495	47.6
81.03423	100.0
81.07062	70.4
83.04988	33.6
83.08622	29.4
85.02913	25.2
85.06533	3.3
91.03942	3.0
91.05482	48.1
93.07048	49.4
95.04978	29.6
95.08606	46.7
97.02901	22.8
97.06533	9.3
97.10178	9.7
99.04431	5.6
99.08083	3.0
99.34830	1.6
103.05479	1.5
105.07038	42.9
107.04975	9.6
107.08592	32.2
107.70020	1.4
109.02892	14.0
109.06504	7.5
109.10164	22.9
111.04446	18.6
111.08098	11.6
113.06006	1.8
115.05489	2.6
115.49577	1.6
117.07017	13.0
119.08591	31.5
120.08989	1.7
121.06510	5.2
121.10147	24.8
123.08098	4.7
123.11698	9.3
125.09663	5.4
127.03908	9.4
129.05531	8.7
129.07005	16.3
131.04845	1.5
131.08578	31.8
133.06494	4.2
133.10136	19.6
135.08051	4.3
135.11688	15.9
137.05920	1.5
137.09595	3.7
141.06946	2.9
142.07779	3.6
143.08578	5.8
145.06503	4.4
145.10159	16.3
147.08069	5.8
147.10670	2.5
147.11713	26.9
149.09648	5.5
149.13261	8.0
153.12741	6.5
155.08560	4.5
157.10109	16.9
158.01442	1.8
159.11685	10.1
161.09615	2.4
161.13263	6.1
163.11157	8.8
163.14822	3.0
165.12762	3.1
167.08546	2.7
169.10117	3.5
171.08076	2.2
171.11728	5.8
173.09569	4.4
173.13269	6.3
175.11200	14.2
175.14830	3.3
181.12227	7.9
183.11815	3.3
185.09712	2.4
185.13280	2.6
187.14842	3.6
191.10677	4.5
193.12254	40.1
195.11705	2.8
197.13300	2.4
209.11642	2.9
209.13454	2.6
211.13284	57.2
212.78981	1.6
227.12814	14.0
228.01482	1.9
229.14378	6.3
243.08772	2.3
243.21075	2.3
249.14853	2.6
261.22049	10.4
267.08997	6.0
267.15927	15.6
268.09357	2.4
273.22110	1.6
279.23224	1.9
283.15302	4.6
285.10043	14.2
285.17029	22.1
285.22046	2.5
286.10382	2.6
289.14218	2.1
301.21912	2.2
303.23041	3.0
308.11496	2.1
317.24710	3.8
324.11569	13.0
324.61694	5.3
335.25842	33.5
337.16541	1.7
337.27356	6.8
339.22870	1.9
351.23257	4.7
355.17426	3.1
369.24167	8.3
387.25348	4.5
405.26282	3.7
411.20425	2.4
425.26471	2.9
427.19681	3.3
429.21185	11.2
435.32880	2.5
443.28000	1.9
461.28830	4.9
463.22675	6.4
479.29651	2.8
517.45752	1.7
527.37201	10.9
545.38361	48.6
546.38245	1.9
569.38135	2.5
611.38647	2.0
641.40039	2.1
653.40680	7.5
671.42242	7.8
689.42767	29.9
707.42377	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	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.4
53.03955	12.0
55.01876	8.4
55.02085	1.3
55.05276	2.6
55.05517	36.2
57.03197	1.4
57.03441	17.3
57.07076	2.8
60.93113	1.4
65.03938	3.1
66.43330	1.3
67.05511	79.2
69.03434	21.7
69.06734	1.7
69.07076	21.0
69.82741	8.7
71.01353	1.6
71.05000	7.8
77.03938	2.6
79.05501	55.6
81.03426	100.0
81.07065	69.7
83.04987	34.2
83.08162	1.7
83.08630	27.4
85.02911	21.7
85.06570	2.3
91.05492	50.4
93.07056	55.3
95.04974	25.2
95.08613	43.5
97.02903	24.8
97.06525	7.8
97.10178	9.0
99.04449	6.7
99.08089	4.3
105.04549	1.8
105.07044	36.2
107.04951	6.9
107.08599	36.2
109.02885	11.2
109.06518	6.0
109.10171	21.9
111.04459	16.9
111.08098	13.5
115.05516	1.7
117.07030	9.5
119.04987	2.9
119.07811	2.3
119.08594	33.0
121.06512	6.1
121.10163	31.0
123.08085	3.8
123.11681	7.5
125.09629	4.6
127.03934	7.6
128.06209	2.2
129.05510	8.9
129.07002	14.3
131.04976	1.7
131.08588	25.6
133.06471	3.6
133.10144	18.5
135.08005	1.8
135.11726	14.1
137.09616	4.1
137.13239	2.1
141.07033	1.8
142.07787	2.7
143.08534	5.4
145.10135	15.6
147.08125	3.4
147.11703	21.2
149.09598	7.0
149.13260	5.9
151.11151	1.8
153.12711	4.2
155.08560	5.1
157.10164	17.1
159.11722	8.9
161.13264	5.3
163.11247	8.3
163.14833	3.6
165.12721	3.2
169.10243	1.7
171.11629	4.7
173.13264	5.2
175.11191	14.4
181.12222	6.3
183.11734	2.1
183.40544	1.6
184.07368	3.1
185.13252	2.6
187.14816	6.1
189.12723	2.1
191.10696	4.1
193.12271	46.0
197.13232	1.7
199.15041	1.7
209.13463	1.8
211.13306	65.6
213.12784	2.2
223.14720	2.0
227.12772	9.2
229.14319	5.0
249.15007	1.6
259.20432	1.8
261.22202	10.4
265.14438	1.6
267.15930	13.8
273.22198	1.8
283.15366	4.4
285.16959	23.2
317.24722	3.8
327.23019	2.0
335.25839	63.7
337.16263	2.8
337.27267	6.6
355.17548	5.3
369.24313	5.4
387.25296	4.2
405.26324	2.2
411.20071	1.8
429.21237	16.2
443.28067	2.7
461.28873	3.3
479.30148	3.1
497.25455	1.6
517.81824	1.7
527.37372	11.9
545.38428	66.3
545.46863	3.7
563.39746	2.0
622.63617	1.6
635.39563	3.5
653.40167	6.1
671.41272	3.5
689.42706	29.6
707.43567	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	12.8
53.04167	3.1
53.89823	2.3
55.01867	6.5
55.05519	31.2
57.03439	21.0
57.07066	5.0
65.03936	4.3
67.05508	72.1
69.03432	24.7
69.07066	16.9
70.60012	2.2
71.04994	6.4
77.91476	2.3
79.05499	61.7
81.03422	100.0
81.07061	78.2
83.04990	29.1
83.08627	25.9
85.02905	20.5
87.04465	17.1
88.04786	2.5
91.05489	56.4
93.07051	55.9
93.18909	2.2
95.04974	27.9
95.08048	1.9
95.08611	53.2
97.02910	16.1
97.06547	12.1
97.10146	11.4
99.04468	6.7
99.08068	2.8
105.04565	2.8
105.07034	41.8
107.04967	10.1
107.08595	27.0
109.02890	7.8
109.06507	6.4
109.10169	19.7
111.04444	15.0
111.08087	10.8
115.05441	2.9
117.07024	16.5
119.08583	30.1
121.06517	5.6
121.10157	28.1
123.08036	4.7
123.11735	7.9
125.09650	4.3
127.03913	8.5
127.07574	2.2
129.05486	7.9
129.06996	16.0
131.08585	29.4
133.06548	5.6
133.10130	19.6
135.11691	14.9
137.09624	5.8
137.13251	3.5
142.07742	2.7
143.08568	8.5
145.10179	13.8
147.08070	5.2
147.11682	22.6
149.09618	4.5
149.13271	6.6
151.11136	2.4
153.09149	2.0
153.12790	3.4
155.08582	6.1
157.10103	17.2
159.11694	9.9
161.09683	2.6
161.13309	3.6
163.11180	6.5
165.12822	2.5
169.10191	5.8
171.11732	8.3
173.09615	4.3
173.13284	8.5
175.11212	16.7
175.14807	3.7
181.12297	4.4
183.11707	5.2
184.07362	9.0
185.13274	4.8
187.14839	2.6
191.10696	7.6
193.12247	42.2
201.12753	3.0
201.16489	2.8
211.13293	65.8
227.12811	8.4
229.14388	4.0
249.14845	2.9
259.20401	2.4
261.22180	12.6
267.15848	20.3
267.60556	2.1
279.23392	3.3
283.15311	4.5
285.16949	24.8
289.21579	2.5
301.21539	2.8
301.24918	2.7
317.24786	3.3
319.22882	2.4
335.25858	28.5
337.16409	3.1
337.27350	5.7
341.24615	2.8
345.24338	4.0
351.23212	4.7
355.17786	3.3
369.24298	10.1
387.25153	6.2
405.26340	3.4
427.19620	3.6
429.21442	15.9
435.32690	3.6
443.27887	5.7
461.28769	7.4
479.30096	4.4
527.37421	19.4
545.38361	52.7
635.39844	3.1
653.40137	10.3
671.41833	13.6
689.42444	33.0
707.42932	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	708.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01625	1.4
55.01872	15.5
55.05511	33.9
57.03437	26.5
57.07069	2.5
59.04991	3.1
61.02923	6.7
65.03936	3.3
67.05505	44.9
68.41479	0.9
69.03427	10.5
69.07062	13.2
70.78020	1.5
70.78342	1.5
71.01363	1.4
71.05002	7.4
73.02917	6.3
73.06535	1.1
77.03905	1.0
79.05492	48.1
81.03418	92.6
81.07055	46.2
81.11489	1.0
82.04205	5.7
83.04980	27.9
83.08616	34.7
84.02140	1.4
84.05767	1.5
85.02907	28.5
85.06541	3.2
87.04456	1.1
91.03944	2.5
91.05480	45.5
93.07049	30.0
94.07828	1.1
95.04360	2.2
95.04969	41.4
95.08606	13.3
97.02889	10.3
97.06531	12.2
97.10175	17.8
98.07311	5.4
99.04441	2.4
99.08064	1.8
101.06015	2.1
103.05499	1.1
105.04520	1.1
105.07032	29.5
107.04952	13.5
107.08595	18.7
109.06529	6.9
109.10163	12.7
111.04465	5.6
111.08083	17.0
111.41962	1.0
113.06023	3.1
115.05413	1.1
116.04720	14.8
116.06162	0.9
117.07014	5.6
119.08588	27.3
121.06487	4.1
121.10149	11.3
121.98130	0.9
123.08088	7.8
123.11710	3.3
125.05862	1.2
125.09628	19.1
127.03864	1.2
127.07495	1.4
127.11185	2.0
128.06285	1.5
129.05490	33.0
129.06987	15.1
131.08572	16.9
133.06496	4.3
133.10127	18.1
135.08051	3.8
135.11696	4.9
136.08887	1.3
137.09579	4.1
137.13298	1.1
139.07578	1.6
142.07762	4.0
143.07040	6.7
143.10638	2.0
145.06548	1.1
145.10075	6.3
147.08026	4.4
147.11685	21.0
149.09637	10.3
150.10406	1.4
153.09052	1.5
153.12743	3.2
155.08612	1.3
157.08592	16.4
157.10112	17.6
158.05766	2.1
162.07933	1.1
163.11188	9.3
164.11812	1.0
165.12756	5.8
171.06514	3.4
171.10159	6.2
173.09552	2.3
173.11740	4.2
175.11183	21.5
181.12234	3.3
183.46579	1.3
185.08073	1.5
185.11763	1.6
189.11176	5.9
191.10709	3.5
193.12248	74.1
196.65248	1.0
199.13292	14.5
200.14084	2.0
209.11745	8.8
210.12589	1.7
211.13295	100.0
212.13638	2.0
227.12781	13.5
229.14313	3.6
241.14326	1.1
247.13290	2.6
249.14957	1.7
255.15961	3.3
267.15909	28.4
269.17288	1.0
283.15421	11.8
284.16110	2.2
285.16968	65.1
286.17212	1.2
301.16458	69.3
302.16882	1.3
339.17957	3.5
409.25739	4.4
421.25879	1.3
427.26797	5.1
439.26810	16.5
459.27292	3.6
475.26764	2.8
476.27731	3.9
477.28458	4.9
493.27997	16.9
494.28662	7.2
511.29031	72.3
512.29358	2.9
541.01569	1.1
609.05756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05007	0.6
71.53381	0.6
73.02953	0.4
81.07064	0.4
83.01130	1.1
83.04998	0.8
85.02943	1.5
87.18083	0.3
91.05496	0.4
95.01105	2.0
96.01883	0.9
105.07060	0.3
112.01364	0.8
113.02142	2.4
123.04448	0.5
126.02960	0.4
127.03985	0.4
131.04942	0.9
135.43646	0.3
137.06029	0.9
139.03943	0.8
141.01674	0.4
141.05287	0.4
157.04767	0.9
159.04175	3.6
167.03221	0.7
167.07155	0.7
169.04774	0.6
185.04248	6.4
185.05745	0.7
193.08766	0.3
201.03786	1.0
203.05278	2.3
203.06926	0.4
205.04797	2.1
215.06995	0.4
218.05664	0.4
219.06334	0.7
232.07216	0.4
233.07832	0.7
234.08690	4.8
247.09685	0.6
249.07550	0.9
271.85370	0.3
303.04984	2.0
321.13159	0.4
335.11105	2.4
349.12701	0.5
350.13409	5.2
351.14236	0.4
365.12271	1.1
377.01718	1.6
377.16257	0.8
381.11853	1.4
383.15195	0.4
395.13501	0.4
401.15869	0.5
403.05298	0.8
423.13086	1.0
437.14465	1.1
446.88147	0.4
461.17923	3.2
484.08276	0.5
499.19586	1.1
547.22174	0.6
563.21210	1.0
623.23151	0.6
665.24243	4.7
709.26886	100.0
710.27124	3.3
723.68396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73842	1.0
54.50922	1.1
55.05509	2.1
57.03442	2.2
59.34573	1.0
61.02923	3.1
66.32812	0.9
67.05521	5.9
69.03432	2.2
69.90031	5.7
73.02919	4.4
79.05496	4.2
81.03445	3.5
81.07049	4.9
83.08630	1.9
85.02907	5.0
91.03976	3.0
91.05499	2.9
93.07045	4.0
95.04947	1.4
95.08620	4.2
97.02914	3.3
97.06539	1.1
99.04512	1.1
101.02411	1.4
105.07069	1.9
107.08601	1.8
109.10188	2.2
115.36221	1.0
119.08621	2.2
127.03876	1.1
129.05531	2.8
130.07794	1.0
131.76869	1.0
135.11671	1.5
147.11710	2.1
152.86937	1.0
163.11218	1.2
164.74202	0.9
165.09151	2.1
170.82028	1.2
185.04309	4.7
201.03752	2.0
243.08565	3.9
247.13121	4.0
287.16214	1.5
301.08963	12.2
302.51111	1.1
315.10660	4.5
327.10645	1.1
341.12057	1.2
345.16739	3.1
357.15546	1.6
371.16827	1.4
373.10986	6.5
383.16992	2.5
385.18436	6.5
391.17697	2.4
401.28122	1.3
429.17154	1.3
429.26425	3.1
443.19147	1.5
447.28024	1.1
455.19586	1.2
457.20380	1.7
465.21048	11.7
479.23450	1.1
481.20584	4.7
485.19818	1.1
495.22318	8.3
496.22659	1.5
524.22565	3.7
525.60297	1.1
537.22876	9.2
550.22449	1.2
565.30060	2.6
579.30957	3.8
607.30853	4.2
608.31671	2.0
643.61798	1.1
649.31891	1.2
663.33789	2.7
691.33282	2.3
709.34100	100.0
710.34100	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	710.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05507	1.2
56.05034	0.5
57.03441	1.5
58.06356	0.2
58.06618	0.4
58.21586	0.2
60.08167	5.8
61.02932	0.4
65.03927	0.3
67.05508	2.4
69.03435	0.8
69.07059	0.9
69.77290	0.2
70.06592	0.2
71.04989	0.6
71.07376	3.1
73.02930	0.3
79.05499	3.0
80.05822	0.2
81.03424	6.7
81.07061	2.8
83.04996	1.7
83.08620	2.6
85.02901	1.5
85.06559	0.3
86.09711	31.0
89.66750	0.2
91.03991	0.3
91.05484	3.3
93.07056	1.9
95.04978	2.8
95.08602	1.5
97.02899	0.8
97.06534	0.5
97.10170	0.7
98.98466	3.0
99.04462	0.2
103.05476	0.2
104.10750	2.6
105.07034	2.7
107.04975	1.0
107.08606	1.6
108.08873	0.2
109.02936	0.3
109.06514	1.0
109.10142	0.8
111.04442	0.5
111.08073	0.9
114.92656	0.2
115.05423	0.2
117.07028	0.3
119.08577	2.5
121.06511	0.3
121.10164	1.3
123.04410	0.3
123.08038	0.4
123.11714	0.2
125.00013	21.2
125.09652	0.7
129.07016	1.2
131.08609	1.4
133.06508	0.4
133.10141	1.8
135.08060	0.4
135.11703	0.4
137.05957	0.3
137.09612	0.4
139.03918	2.4
142.07706	0.3
143.00958	0.2
144.99583	0.2
145.06480	0.3
145.10132	0.5
147.07993	0.3
147.11667	1.4
149.09628	1.0
151.03915	0.2
151.07652	0.2
151.11180	0.4
155.08604	0.2
157.10139	1.5
159.11723	0.2
161.05957	0.2
161.09578	0.2
163.11194	0.5
165.12796	0.5
171.11621	0.2
173.05994	0.2
173.09645	0.3
175.11191	1.9
177.00613	0.2
178.04958	0.2
184.07349	100.0
185.07614	0.4
187.07468	0.2
187.11201	0.2
189.09135	0.2
189.11232	0.2
191.10632	0.3
193.12248	4.0
194.12640	0.2
198.22581	0.2
200.41707	0.2
211.13286	3.1
227.12607	0.2
236.71312	0.2
249.15039	0.2
267.15921	5.8
268.16287	0.2
283.15369	0.4
285.16940	3.0
367.22485	0.5
375.11072	0.2
385.23633	0.9
403.24646	0.4
459.27386	5.6
476.26611	0.2
477.28519	9.0
478.28586	0.3
495.29514	2.1
513.29669	0.6
539.15625	0.3
660.35089	15.4
661.34961	0.4
710.41785	1.9
732.06726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01870	3.1
55.05512	11.2
57.03441	10.3
59.04991	1.0
61.02934	1.6
67.05167	1.5
67.05505	17.6
69.03436	4.0
69.07078	5.2
69.35157	3.9
69.35583	1.6
71.04982	2.8
79.05064	1.4
79.05496	19.2
81.03422	81.9
81.07063	18.7
82.03721	1.1
83.04990	10.2
83.08622	24.3
85.02904	11.6
85.06541	2.1
86.09694	1.1
87.04529	1.0
91.05486	23.4
92.52198	0.8
92.64464	0.8
93.07055	13.8
95.04974	27.9
95.08614	9.7
97.02884	3.6
97.06557	3.6
97.10173	5.2
98.21455	1.6
99.04439	1.1
99.08099	1.2
101.72234	0.8
102.74465	0.8
103.05504	1.1
105.07037	19.4
107.04964	8.6
107.08614	8.4
109.06540	4.3
109.10172	4.6
111.04456	3.1
111.08083	7.0
113.06025	0.9
115.05482	1.1
117.07027	2.9
119.04929	1.6
119.08583	15.1
121.06502	3.9
121.10153	8.7
123.08070	2.9
123.11726	1.9
125.09611	4.0
128.06203	0.8
129.07014	12.6
131.04959	1.1
131.08575	12.6
133.06509	3.9
133.10155	9.2
135.08008	1.5
137.06007	1.6
137.09592	1.8
142.07773	2.1
143.08540	1.2
145.06497	4.9
145.10118	3.0
147.04408	1.0
147.08006	4.2
147.11687	12.5
149.09631	6.6
157.10139	13.1
159.08057	1.1
161.09656	1.0
163.03920	0.7
163.11191	2.0
165.09059	1.1
165.12787	3.2
169.10161	1.1
175.11195	11.0
184.07341	2.1
184.14539	0.8
189.11215	1.8
189.12744	1.1
193.12257	35.5
195.11703	1.3
197.13281	1.5
205.12282	1.2
211.13286	14.7
213.12663	1.3
227.12692	1.2
229.14314	1.6
233.15370	1.2
249.14963	2.2
255.13826	1.7
267.15927	100.0
268.16196	1.3
273.14850	4.2
285.16974	17.7
293.17474	0.9
341.21243	0.8
349.21527	3.3
357.24094	1.3
367.22733	8.5
385.23788	9.2
386.17050	0.7
403.24808	1.7
405.24301	1.0
415.24677	0.8
433.25882	15.8
441.26498	6.2
459.27454	69.8
460.27527	3.1
477.28494	43.2
478.28668	2.0
495.29178	2.2
519.29242	1.7
710.38843	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	711.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
57.03444	0.5
61.02924	0.9
67.05523	0.8
69.03431	0.4
71.54029	0.4
79.05510	0.6
81.03437	0.6
81.07056	0.6
83.08586	0.4
85.02898	0.7
91.03950	0.9
91.05501	0.7
93.07053	1.0
95.08614	0.5
97.02899	1.0
97.06548	0.3
105.07088	0.5
107.08619	0.7
133.10129	0.3
145.10107	0.4
152.96581	0.3
163.11174	0.6
173.75787	0.4
189.73108	0.3
225.55516	0.4
240.66144	0.3
243.08571	0.5
249.11049	0.5
259.08173	0.4
301.09103	1.0
375.35632	0.4
383.17050	0.4
385.18411	0.6
455.18961	0.4
467.19016	2.1
485.18265	0.5
539.20905	0.7
581.29736	1.4
627.29852	0.9
665.30920	1.0
693.30731	1.0
711.30145	100.0
712.30353	3.7
731.05963	0.4
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
53.03917	2.2
55.01849	2.2
55.05513	16.7
57.03440	18.2
57.07049	2.6
57.07305	0.7
61.02918	3.6
65.03932	3.1
67.05505	62.8
69.03411	1.0
69.07070	16.6
69.27139	4.3
69.27550	1.5
71.01359	3.5
71.04984	3.6
73.02905	1.3
77.03901	0.6
79.05493	55.0
81.03419	5.0
81.07056	46.3
81.22027	0.6
83.04987	8.9
83.08209	0.7
83.08609	6.9
85.02910	3.6
85.06535	3.7
91.03923	1.4
91.05484	24.0
93.07045	65.1
95.04954	5.1
95.08606	30.3
96.86942	0.6
97.02862	1.9
97.06531	10.5
97.09635	0.7
97.10174	9.1
99.04486	1.1
99.08093	1.6
105.04496	1.0
105.06380	1.0
105.07031	10.8
107.04926	0.9
107.08596	40.0
109.06486	1.5
109.10161	13.5
111.08046	2.2
117.07014	6.3
119.08576	11.7
120.55672	0.7
121.06505	1.6
121.09328	1.1
121.10147	16.3
123.07993	0.9
123.11682	3.0
125.09623	1.8
129.07022	0.9
130.07764	1.1
131.08571	6.3
133.10143	7.8
135.08054	1.4
135.11693	49.4
137.09607	1.6
137.13246	1.0
145.10117	11.7
147.11714	4.6
149.13234	3.9
151.11099	0.7
153.12694	3.0
157.06310	0.7
157.10139	1.0
159.11700	4.4
161.13292	3.2
163.11177	5.3
163.14812	2.0
171.11734	0.7
173.13229	2.7
175.14717	1.5
181.10744	1.3
181.12225	12.3
187.14757	1.8
194.51817	0.6
199.13255	1.9
201.16360	0.9
220.90474	0.8
242.37370	0.7
243.21106	3.8
253.14369	4.2
255.15916	99.3
256.16232	1.9
259.20593	1.0
261.22147	12.2
317.24768	2.7
333.24051	1.2
335.25793	52.7
336.26086	0.9
355.12024	0.8
405.31857	0.7
423.32660	3.0
441.33633	2.4
497.36450	1.2
515.37323	100.0
516.37573	3.6
533.38239	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	713.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08188	0.4
55.05531	0.4
56.43089	0.3
61.02914	0.6
67.05491	0.7
69.03416	0.5
69.07081	0.7
70.98692	0.8
79.05492	0.4
81.03434	0.6
81.07064	0.8
82.62367	0.3
83.08538	0.3
85.02934	0.6
87.03452	0.3
91.05476	0.9
93.07081	0.6
95.08611	0.8
97.06516	0.4
105.07040	0.9
107.08612	0.6
120.24937	0.4
121.10154	0.5
129.76765	0.4
137.06015	0.4
142.88232	0.4
149.91858	0.4
193.12286	0.6
207.06563	0.5
267.09106	1.1
285.10107	1.0
339.77490	0.4
467.19318	0.5
469.20694	0.8
485.17621	1.6
586.67969	0.4
695.32446	0.9
713.31586	100.0
714.31750	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	713.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05508	1.4
57.03435	1.8
61.02926	4.1
61.27023	0.5
67.05505	0.8
69.03432	1.9
69.07080	0.6
70.93037	1.3
71.04974	0.5
73.02551	0.4
73.02917	2.3
79.05502	2.0
79.70567	0.6
81.03415	2.4
81.07050	1.4
83.01108	0.6
83.04963	0.6
83.08606	0.9
85.02917	4.8
91.03947	2.8
91.05485	1.2
93.07027	0.9
95.04975	0.8
95.08591	0.6
97.02885	2.8
97.06515	0.5
99.04465	0.7
101.02389	1.5
103.03954	0.8
105.07022	0.9
105.32583	0.5
107.08627	0.8
109.02872	0.6
109.06522	0.6
119.08665	0.7
125.09686	0.6
127.03913	1.8
127.37859	0.5
129.05487	1.8
147.11661	0.6
181.04721	1.3
184.03545	0.6
185.04173	4.5
192.19365	0.5
193.12202	1.1
199.05777	0.8
201.03741	1.9
211.13228	0.7
223.09578	0.6
243.08438	3.6
251.12448	2.6
277.14166	1.5
291.15665	1.2
292.16028	0.5
301.08945	13.6
301.12112	0.9
307.15250	0.8
313.08621	0.6
315.10471	2.9
317.00131	0.5
317.08527	0.6
327.10687	1.3
329.11926	0.6
341.12073	0.5
349.16223	2.6
355.13788	0.9
357.15161	0.8
367.17496	1.1
369.15030	0.6
371.16714	0.7
373.11029	4.6
383.16904	3.2
385.18280	7.3
387.12668	1.3
395.16821	2.0
401.14273	0.6
413.17880	1.0
429.17410	1.7
433.25818	1.6
439.19412	1.9
443.18921	4.9
444.19629	0.7
451.26871	1.1
457.20755	0.9
469.20428	13.2
483.22040	1.5
485.19836	3.0
486.20132	0.5
499.21249	3.8
500.22159	0.6
511.21991	1.9
527.28314	1.1
528.21600	3.9
541.22375	6.4
548.03503	0.7
555.24487	1.6
569.26642	1.7
583.30206	0.8
595.30341	0.8
611.30377	4.7
612.31165	4.0
625.31250	0.7
641.31201	0.6
653.31628	1.2
667.33136	1.0
668.33765	0.5
695.32544	1.9
696.32831	1.1
713.33484	100.0
714.33563	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	716.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01865	2.9
55.05513	14.7
57.03448	9.9
57.07073	5.1
59.05003	1.4
61.02916	3.1
62.84768	1.0
67.05511	15.7
69.03428	1.4
69.07069	12.0
69.26443	9.8
71.01312	1.3
71.04971	1.9
71.08646	2.7
73.02921	2.2
74.25276	1.2
79.05502	14.9
81.03418	5.5
81.07065	20.1
83.01347	4.9
83.05000	6.1
83.08619	16.7
85.02897	3.8
85.10167	1.4
86.09718	3.6
91.03968	1.2
91.05486	6.6
93.07050	17.1
95.04978	2.2
95.08601	10.3
97.02896	4.2
97.06535	4.4
97.10173	5.9
99.04449	1.8
99.08112	1.1
105.07047	6.1
107.04935	3.7
107.08587	8.2
109.06522	3.2
109.10168	4.4
111.04475	1.2
111.08099	2.3
117.07024	4.3
119.08601	4.5
121.06562	1.3
121.10161	12.2
123.08065	3.8
123.11737	1.6
125.00012	2.1
125.09642	3.5
131.08597	2.6
133.10083	1.0
135.11690	11.0
136.56914	1.3
139.11188	1.2
145.10132	8.8
149.13313	1.6
153.12761	1.3
159.25848	1.0
163.11197	12.4
173.09616	2.0
181.12216	1.4
184.07330	9.5
185.07713	1.8
186.07726	1.2
208.13203	1.1
209.11722	3.6
227.12796	2.2
237.22273	1.1
283.15405	100.0
284.15717	1.3
311.25833	57.8
439.19299	1.6
519.36841	38.8
520.37305	1.5
549.35791	1.1
677.89801	1.4
717.42053	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	717.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30777	0.2
51.02374	0.2
51.08192	0.2
53.03942	0.8
53.28184	0.2
55.01865	0.4
55.05523	1.4
55.59256	0.2
57.03445	2.2
57.07063	0.2
61.02931	5.1
65.03938	0.3
67.05511	5.3
69.03435	3.2
69.07067	1.1
69.30939	1.6
71.01353	0.6
71.05004	0.4
71.08676	0.2
73.02925	4.3
79.05061	0.3
79.05500	4.1
79.05953	0.2
81.03423	1.7
81.07063	4.9
81.07530	0.3
83.05005	0.4
83.08638	0.6
85.02913	5.2
85.03434	0.3
85.06535	0.3
87.04467	0.3
89.80933	0.2
91.03963	3.2
91.05486	2.2
93.07048	4.5
95.05000	0.4
95.08610	3.9
95.09174	0.3
97.02901	4.7
97.06569	0.4
97.10206	0.2
98.20753	0.3
99.04490	1.1
101.02371	1.8
103.03946	0.4
105.07056	1.2
107.08598	2.7
109.02894	0.7
109.10152	1.5
111.08146	0.2
115.03948	0.3
117.07032	0.6
118.26183	0.2
119.08585	0.9
121.10137	1.7
123.11714	0.5
127.03951	1.6
131.08591	0.7
133.10165	0.6
135.11700	2.3
145.05022	0.3
145.10153	0.7
147.11761	0.3
149.13315	0.3
159.11711	0.3
163.11205	0.3
181.12273	0.3
185.04195	0.4
203.05344	0.4
221.11568	1.1
243.08427	2.0
277.14029	0.2
283.15494	0.4
302.33984	0.2
335.25903	0.6
439.19409	3.7
519.29303	6.7
542.38062	0.2
717.41870	100.0
718.29541	0.4
718.42157	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.69691	0.1
55.01884	0.2
55.05484	0.1
57.03433	0.5
61.02939	0.2
69.03435	1.0
70.48710	0.2
71.04634	0.2
71.04996	1.7
73.02934	0.2
75.12158	0.1
77.03942	0.1
78.04716	0.8
79.05505	0.6
81.03425	0.2
81.07072	0.2
83.04989	0.4
83.84344	0.1
84.04455	0.1
85.02908	2.9
91.05478	0.5
93.03397	0.1
93.07042	0.3
94.47215	0.1
95.04971	0.5
95.08615	0.2
97.02921	0.3
98.21448	0.1
98.97580	0.4
103.05485	0.3
105.07037	1.2
106.04194	0.4
107.04969	1.1
109.02895	0.2
109.06535	0.2
109.10185	0.2
111.04431	0.5
115.05476	0.4
117.06995	0.3
121.06533	0.5
122.03620	0.2
123.04432	2.6
124.05233	0.9
127.03931	0.2
129.05492	0.4
129.07051	0.1
131.04892	0.2
133.06512	0.9
134.03648	0.2
135.08066	0.2
137.06003	0.6
139.03960	0.1
145.04985	0.2
145.06520	0.3
147.04387	0.2
147.06462	0.2
147.08047	0.3
149.05957	0.6
150.03151	0.1
151.03897	0.4
151.07529	0.8
152.04694	1.0
161.05991	1.0
163.07565	0.1
165.05540	0.1
166.06230	0.1
167.07047	100.0
168.07364	1.0
173.05974	0.3
175.07591	0.4
177.05498	0.1
177.09126	0.1
178.06239	0.2
179.07040	0.5
180.08716	0.1
181.08612	1.9
189.09122	0.1
190.06198	0.2
191.07037	0.3
193.08618	5.4
193.15881	0.2
195.10202	0.1
199.07469	0.1
205.08623	1.1
205.18755	0.1
207.10272	0.5
211.09666	32.7
212.10036	0.3
217.08632	0.1
219.10202	0.1
223.09685	0.7
235.09630	0.7
239.09174	0.3
241.10773	0.1
249.11249	0.2
251.09213	0.1
253.10880	0.2
271.09821	0.1
272.10983	0.1
273.11270	0.1
275.12680	0.2
277.10764	0.2
281.10178	0.1
285.11389	0.1
293.13974	0.7
295.11765	0.2
303.12253	0.9
306.58707	0.1
321.13297	1.6
393.19153	0.7
417.18658	0.2
459.20135	0.1
465.20853	0.2
466.21323	0.2
485.21640	0.4
503.22751	0.4
524.23804	0.7
524.73700	0.3
543.20837	0.1
620.05292	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	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22096	0.6
53.03929	1.0
55.01847	2.2
55.05518	9.1
57.03438	8.1
57.07080	28.2
57.07344	1.0
61.02898	1.8
65.03920	0.9
67.05508	15.5
69.03383	0.9
69.07076	9.9
69.34851	5.6
71.04961	1.9
71.08639	20.0
73.02896	0.9
75.45832	0.7
79.05498	17.8
81.03394	2.0
81.07063	22.2
82.41871	0.6
83.04959	2.4
83.08627	12.7
85.02894	1.1
85.06530	1.5
85.10190	10.8
89.06009	2.1
91.05482	4.4
93.07053	26.3
95.04979	4.7
95.08614	37.5
97.02890	3.5
97.06552	3.2
97.10152	3.9
99.04483	3.1
99.11721	1.2
105.07040	4.5
107.04963	7.1
107.08601	19.8
109.06467	1.0
109.10162	8.8
111.04428	1.5
111.08052	1.2
113.06025	0.7
117.06314	0.8
117.07033	6.9
119.08595	6.1
121.06516	4.6
121.09476	0.6
121.10160	8.6
123.11682	2.6
125.05960	2.5
130.07782	1.4
131.08615	0.9
133.10095	1.5
135.08041	1.8
135.11697	41.1
137.13191	0.8
139.07541	1.6
143.08554	0.9
145.10138	23.9
153.12804	1.0
163.11191	53.9
164.11591	0.8
173.09653	1.0
181.12236	10.2
182.53123	0.7
184.07358	1.0
209.11688	2.0
227.12796	58.4
239.23672	0.9
252.76401	0.7
257.24747	2.6
273.17459	0.6
283.15414	90.1
284.15735	1.0
304.02737	0.6
313.27386	98.7
314.27573	2.1
521.38416	100.0
522.38776	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	718.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01880	4.0
55.05517	9.1
57.03445	11.8
57.03711	0.6
57.07083	22.1
57.07343	0.8
59.04970	1.8
61.02933	4.4
67.05511	11.7
69.03402	1.5
69.07072	5.1
70.48032	1.4
71.01330	0.7
71.04998	2.3
71.08638	16.0
73.02884	1.2
79.05079	0.7
79.05496	10.5
81.03429	4.9
81.07066	15.4
83.01346	6.1
83.04552	0.5
83.04987	6.1
83.08627	11.5
85.02914	5.7
85.06501	0.6
85.10188	9.4
86.09681	0.7
89.06033	1.1
91.03920	1.4
91.05490	5.9
91.12951	0.4
93.07057	11.5
95.04964	2.7
95.08614	13.3
97.02891	2.9
97.06536	2.9
97.10171	3.3
98.20773	0.5
99.04432	1.7
99.11753	0.7
101.02287	0.6
103.07568	1.2
105.07038	4.9
107.04951	4.0
107.08606	7.4
109.06532	3.9
109.10179	6.3
111.04417	1.2
111.08081	1.2
111.11746	0.8
111.76501	0.4
113.13097	0.4
117.07028	3.6
119.08592	4.9
121.06482	1.7
121.10143	4.0
121.25990	0.4
123.08085	4.8
123.11685	1.6
125.05984	1.1
125.09626	0.8
127.03926	0.6
130.07767	0.7
131.04924	0.5
131.08539	1.5
133.10115	0.7
135.08060	1.1
135.10730	0.4
135.11705	6.7
137.09616	0.6
137.13271	0.9
143.08592	0.6
145.10143	9.2
147.08061	1.4
153.12697	1.4
155.08449	0.6
163.09866	0.7
163.11205	13.9
173.09665	2.0
178.97765	0.5
181.12198	1.5
184.07327	1.3
191.10608	1.4
209.11778	4.8
224.65532	0.5
227.12859	2.3
238.12125	0.4
239.23643	1.2
257.24792	1.2
283.15427	100.0
284.15738	1.6
313.27393	77.8
314.27707	1.6
435.47253	0.4
521.38428	51.9
522.39404	2.0
537.71570	0.4
573.10126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.9
55.01848	1.8
55.05513	20.7
55.05766	0.9
57.03437	13.6
57.07072	4.4
59.04958	0.5
61.02927	4.4
62.44584	0.5
65.03915	1.0
67.05506	24.2
69.03445	2.9
69.07072	24.0
69.50802	1.1
69.51215	2.7
71.01337	0.6
71.04987	3.9
71.08638	2.7
72.15849	0.5
72.63773	0.4
73.02892	1.1
79.05497	18.7
81.03422	39.9
81.07059	32.9
83.04984	9.9
83.08623	27.6
85.02906	18.7
85.06512	1.6
85.10191	1.3
87.77034	0.5
91.03909	1.4
91.05484	20.2
93.06493	0.9
93.07045	17.4
94.05061	0.5
95.04971	17.7
95.08606	17.4
97.02380	0.4
97.02896	5.0
97.06544	4.4
97.10168	9.1
99.04409	1.1
99.08061	1.8
105.07036	14.0
107.04395	0.4
107.04955	4.0
107.08602	10.1
109.06525	2.8
109.10154	6.9
110.54679	0.5
111.04420	1.3
111.07375	0.7
111.08085	9.7
111.11702	1.8
113.05980	1.9
115.05420	1.0
117.06965	0.8
118.43950	0.5
119.08582	12.3
121.06520	1.0
121.10146	14.8
123.08044	1.9
123.11726	3.7
125.09573	1.7
129.07033	6.3
131.08560	7.5
133.06439	1.9
133.10141	7.5
135.11696	6.5
137.09618	0.8
137.13188	1.9
139.11174	0.8
142.07751	1.9
145.10106	0.8
147.08038	1.5
147.11691	10.4
149.09642	4.5
149.13243	1.9
151.14719	0.6
157.10132	8.7
163.14734	0.8
165.12738	2.2
175.11203	10.2
184.07307	1.8
193.10449	0.7
193.12247	28.6
211.13297	52.6
219.21075	1.4
219.59322	0.6
227.51611	0.6
237.22115	2.0
249.14964	0.6
267.15909	13.9
285.16971	63.2
286.17276	1.3
311.25806	69.7
312.26242	1.1
357.12613	0.5
414.67853	0.6
503.37350	15.4
508.45047	0.5
521.38397	100.0
522.38446	4.0
718.43872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.7
55.01872	15.4
55.05513	48.3
56.96574	3.3
57.03449	12.3
61.02936	3.2
61.14489	2.0
65.03939	5.3
67.05504	70.6
69.03428	30.8
69.07058	26.9
69.07347	2.2
71.01330	2.7
71.04994	11.4
73.02914	4.4
79.05494	66.4
81.03421	100.0
81.07059	63.6
81.07527	4.3
82.74554	2.0
83.04985	25.5
83.08623	31.0
85.02903	20.7
85.06548	5.0
91.05479	56.0
93.07046	55.0
95.04968	26.2
95.05505	3.5
95.08602	33.6
97.02892	21.5
97.06554	12.2
97.10168	24.5
98.20705	4.7
98.97599	9.8
99.04475	6.8
99.08097	3.0
103.05479	4.8
105.04543	2.2
105.07035	46.6
107.04967	20.0
107.08601	32.7
109.02884	24.9
109.06517	12.4
109.10152	19.4
110.97600	4.6
111.04478	14.1
111.08107	8.4
113.06013	4.0
115.04050	2.2
115.05499	3.6
116.98699	3.4
117.07036	18.7
119.08578	42.7
121.06520	11.0
121.10138	18.1
123.04459	3.5
123.08112	8.9
123.11763	5.3
125.09618	16.5
127.03950	16.5
127.07656	2.1
128.06285	4.0
129.05515	4.4
129.07033	16.9
130.07805	2.3
131.04967	2.7
131.08572	32.0
133.06538	7.9
133.10132	19.3
135.04419	3.0
135.08095	8.4
135.11731	9.9
137.09631	5.2
141.07011	2.9
142.07774	2.7
143.00209	3.6
143.08534	11.4
145.04921	3.0
145.06531	5.8
145.10133	23.6
145.11189	3.3
147.08083	9.6
147.11703	19.6
149.09659	9.0
149.13300	3.7
153.09128	3.6
153.12782	4.0
155.08603	6.7
157.06535	2.6
157.10150	14.6
158.99683	4.2
159.08005	4.3
159.11685	10.7
161.09647	6.1
163.11221	14.3
165.12839	4.8
169.10143	4.5
170.99681	2.9
171.08046	4.0
171.10384	2.9
171.11758	9.4
173.04518	10.6
173.09744	6.9
173.13348	6.3
175.11174	11.1
177.00766	3.2
177.12848	2.8
181.12323	5.2
183.11751	5.2
185.13300	2.6
189.11255	8.9
189.12790	2.4
191.10718	5.2
193.12221	23.2
197.13206	2.5
199.14905	2.7
201.12968	2.4
209.09717	2.8
209.11740	2.3
211.13277	28.3
211.14934	2.8
217.16164	2.4
219.01768	12.1
219.13881	3.8
223.13390	6.4
227.12708	20.0
229.14409	4.5
229.19659	2.3
230.14751	3.1
237.02829	14.5
249.14923	3.2
257.19141	3.2
261.03003	6.0
267.09232	2.3
267.15857	13.4
273.18521	20.5
274.99118	2.1
275.20090	21.5
279.03873	13.3
283.15536	9.8
285.09927	2.6
285.17072	4.6
291.19553	62.7
291.22839	3.3
301.14410	2.9
313.21790	5.2
347.22260	7.9
349.23886	6.7
353.15875	2.9
355.17761	5.3
363.06158	2.3
365.23517	8.1
381.07162	4.7
397.69089	4.7
411.19931	5.8
427.20059	3.8
435.23972	2.8
441.09332	2.4
455.26831	2.4
465.30081	3.5
487.18130	3.2
528.38031	3.1
539.33655	10.8
557.34845	30.3
575.36060	6.4
629.12463	2.5
665.36798	2.6
683.38037	5.6
701.38733	18.7
719.16718	11.8
719.40015	98.4
720.40112	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	720.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28442	0.7
53.03940	3.0
55.01863	2.0
55.05513	6.9
56.96560	2.9
57.03439	5.9
59.97296	0.7
61.02904	0.8
65.03931	1.2
67.05508	19.7
69.03425	1.5
69.07072	4.7
70.49115	1.0
70.49453	1.1
71.04989	2.0
73.06538	1.2
73.69348	0.6
79.05499	29.0
81.03426	34.2
81.06583	1.0
81.07061	17.3
83.04993	6.2
83.08623	9.1
84.08945	0.7
84.96058	1.1
85.02895	2.0
85.06534	1.1
91.05482	24.6
93.07049	22.3
95.04973	15.1
95.08613	9.2
97.02904	2.4
97.06529	2.6
97.10164	2.2
98.97585	10.5
99.97928	0.8
101.73661	0.7
103.05460	1.2
105.04552	1.2
105.07039	16.1
107.04968	4.1
107.08592	6.9
109.06517	3.0
109.10163	2.8
110.97575	3.8
111.04467	1.2
111.08100	3.7
115.05447	1.2
116.98616	3.7
117.07016	2.6
117.98978	0.6
119.08591	12.0
121.06497	2.6
121.10155	3.9
123.08069	2.5
128.06224	0.7
128.98619	2.7
129.06992	7.4
131.08578	5.2
133.06503	1.4
133.10149	6.3
135.08078	0.9
135.11717	0.9
137.09601	0.8
140.00195	1.0
140.98595	1.2
143.00175	2.5
143.08574	3.3
145.10141	4.9
146.99733	0.8
147.08057	1.5
147.11694	16.4
149.09666	1.6
157.10175	4.4
158.99652	4.2
159.11682	1.5
161.01237	1.5
161.09647	1.9
161.13324	3.8
163.11168	1.1
170.99684	2.9
171.11688	10.3
172.00000	1.0
174.99211	1.0
175.11211	4.0
177.00748	2.2
185.01302	1.6
186.01541	0.8
189.00740	1.8
189.11302	0.6
189.12778	3.9
193.12225	9.1
194.99701	0.7
201.00745	2.4
202.01146	0.7
207.13823	7.4
211.13319	0.8
213.00774	1.3
219.01778	11.2
220.02029	3.2
237.02818	11.1
238.03198	3.9
242.03473	0.9
249.14822	1.0
260.04538	0.9
261.02802	5.5
262.03271	2.7
267.15930	35.2
267.65500	0.7
273.02936	1.3
279.03851	12.6
280.04279	5.7
281.17496	34.5
297.02942	1.2
298.03415	0.7
302.05658	1.6
319.03210	1.0
321.04947	2.4
322.05374	2.1
363.06274	1.8
364.06424	1.5
365.05984	0.8
377.03812	1.2
378.04391	1.0
381.07004	2.6
382.07443	2.3
399.25369	0.7
423.08337	0.8
424.08408	2.7
447.27234	1.0
473.29025	100.0
474.29266	2.3
491.30051	2.1
515.30072	1.8
558.10431	0.8
559.11523	0.9
560.12213	1.8
581.31317	0.8
630.12689	3.0
720.15753	14.9
721.16174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35239	3.5
55.05503	11.2
57.03443	5.4
61.02923	5.2
67.05495	12.2
67.11819	3.2
67.26294	2.9
69.03426	3.6
69.07084	3.6
71.04990	4.3
71.53842	2.8
78.33015	3.3
79.05486	14.9
81.03414	33.3
81.07058	17.2
83.04975	6.4
83.08618	10.7
85.02913	14.3
85.06505	3.9
91.05470	17.0
92.52695	3.2
93.07040	11.0
95.04972	13.4
95.08611	14.6
97.02899	6.7
97.06528	4.5
98.97598	6.4
105.07030	14.0
107.04994	3.1
107.08591	12.2
109.02880	3.2
109.06533	4.6
109.10186	8.8
111.08069	7.1
111.90868	3.3
119.08571	12.5
121.10128	8.7
123.08073	4.7
125.09618	6.4
129.06964	3.6
130.70396	3.1
131.08533	6.9
133.10136	6.7
135.08154	3.3
135.11763	5.0
143.00237	3.9
145.04872	3.5
145.10051	4.6
147.11696	7.6
149.09637	7.6
151.11183	3.5
157.10121	8.1
163.11140	4.9
166.92668	3.3
175.11218	8.8
193.12245	31.9
211.13289	78.6
219.01726	4.5
227.16245	3.2
237.02829	4.3
243.70746	3.6
261.02588	3.4
267.09030	3.5
267.15906	35.4
279.03885	6.1
285.10117	6.7
285.16980	100.0
305.97739	3.3
318.10434	3.9
459.27460	18.9
477.28497	28.5
495.29529	45.7
597.36841	3.5
610.22644	3.5
655.05011	4.0
720.15973	5.6
720.41418	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	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01876	1.1
55.05273	0.5
55.05514	6.7
57.03438	7.1
57.07082	17.6
59.04977	0.5
60.11015	0.4
61.02903	1.6
62.93250	0.4
67.05177	0.8
67.05506	11.0
69.03442	2.2
69.07071	5.3
69.99414	0.4
71.04995	2.2
71.08636	12.5
73.02917	0.5
74.00893	0.4
79.05492	6.9
81.03418	26.7
81.06584	0.8
81.07056	13.2
83.04979	5.3
83.08621	15.4
85.02905	11.1
85.06523	0.6
85.10188	6.4
87.04461	0.8
91.05483	8.3
93.07042	5.4
95.04969	10.9
95.08604	12.8
97.02888	2.5
97.06516	1.3
97.10167	2.9
99.11757	0.5
103.07563	0.7
105.07022	6.8
107.04970	2.4
107.08594	2.8
109.06519	2.1
109.10169	5.2
111.04440	1.5
111.08092	5.9
111.11703	0.6
111.53888	0.5
113.05990	0.5
115.05498	0.5
117.07039	0.7
119.08576	7.3
121.06445	0.7
121.10145	3.7
121.78830	0.4
123.08054	0.9
123.11730	2.4
125.09647	0.8
129.07001	3.4
131.08574	4.2
133.06435	0.6
133.10143	3.6
135.11670	0.9
137.09650	0.7
137.13216	0.9
142.07776	1.1
144.62625	0.5
145.10121	0.5
147.08101	1.0
147.11687	6.1
149.09627	2.7
157.10121	6.9
163.11124	0.8
165.12770	1.7
175.11192	7.6
179.21529	0.5
193.12251	22.7
211.13297	35.4
223.40331	0.5
225.26053	0.5
239.23738	0.8
257.24838	0.8
267.15924	8.3
283.15344	0.9
284.15659	0.8
285.16971	30.0
313.27365	40.5
314.27805	1.3
315.27991	0.8
403.62878	0.4
425.03238	0.6
476.21671	0.8
505.38837	8.1
510.55353	0.5
523.39948	100.0
524.40417	3.5
550.24933	0.5
622.27686	1.0
623.28424	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83089	0.3
52.59075	0.3
53.03934	1.9
55.01877	1.8
55.05513	10.6
57.03439	14.0
57.07077	28.2
59.04968	0.6
60.48519	0.3
61.02931	3.8
65.03922	1.1
67.05505	18.2
69.03425	3.4
69.07066	8.8
71.04993	2.5
71.08634	20.0
73.02903	0.6
77.03911	0.5
79.05494	14.9
81.03419	43.2
81.07058	26.4
83.04984	10.8
83.08620	21.1
83.09087	0.5
85.02905	20.2
85.06523	1.1
85.10187	11.2
87.04463	0.6
89.06008	1.3
91.03916	1.3
91.05480	19.3
93.06488	0.7
93.07047	11.2
95.04369	0.7
95.04970	16.0
95.08607	18.8
96.08893	0.4
97.02374	0.4
97.02894	4.1
97.06515	2.8
97.10163	5.2
98.21571	0.6
99.08074	0.8
99.11709	0.7
101.06032	0.3
103.07571	1.2
105.07031	13.1
107.04972	4.0
107.08572	4.6
109.06517	3.0
109.10158	7.9
111.04441	2.0
111.07375	0.6
111.08081	7.1
111.11689	0.7
112.44830	0.4
113.05990	1.6
115.05446	0.8
117.07000	1.2
119.04912	0.4
119.08581	10.9
121.06491	1.0
121.10146	6.7
123.08093	2.1
123.11706	3.7
125.09644	1.1
127.07568	0.6
128.06242	0.5
129.07001	7.4
131.08562	6.0
133.06532	2.0
133.10132	8.1
135.11684	0.6
137.09602	0.9
137.13235	1.0
142.07799	2.0
145.10088	1.4
147.08040	2.0
147.11685	10.1
149.09634	4.4
153.12749	0.4
157.10127	9.0
163.11211	0.8
164.46341	0.4
165.12727	2.5
175.11182	9.0
175.12709	0.5
184.07323	0.8
193.12250	30.6
211.13297	49.6
212.13567	0.8
212.99651	0.4
229.04749	0.4
239.23680	2.0
249.14970	0.9
257.24780	2.1
267.15918	16.6
285.16965	68.3
286.17361	1.0
302.43484	0.4
313.27362	76.8
314.27682	1.2
465.35638	0.5
505.38913	14.1
523.39948	100.0
524.40375	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72452	1.3
53.03946	10.1
55.01871	22.8
55.05273	1.6
55.05514	25.5
57.03439	9.7
57.07061	1.7
60.51397	1.4
61.47187	1.3
63.40594	1.4
65.03934	4.7
67.05508	52.6
69.03430	16.2
69.06729	2.2
69.07072	33.8
69.74897	4.1
69.75309	3.1
71.04988	6.8
71.08652	1.5
73.02910	2.8
79.05497	47.6
81.03422	73.5
81.07058	66.9
83.04985	23.9
83.08147	1.8
83.08621	21.6
85.02908	14.7
85.06518	2.9
85.51830	1.5
91.05486	64.8
93.06484	2.3
93.07045	43.7
95.01322	6.3
95.04975	23.0
95.08611	34.0
97.02887	15.8
97.05920	2.1
97.06533	34.7
97.10190	7.7
99.04446	5.4
103.05491	2.8
105.04510	2.3
105.07036	75.8
107.04961	23.5
107.08595	23.5
109.02876	9.6
109.06527	10.5
109.10171	12.7
111.04450	8.7
111.08093	10.0
113.06030	1.9
115.05460	3.2
117.07035	20.4
119.04922	1.7
119.08580	44.2
121.06508	5.2
121.10132	16.0
123.04426	4.3
123.08056	6.5
123.11687	2.3
124.59020	1.4
125.09608	5.3
127.03925	7.4
128.06235	2.6
129.05467	4.2
129.07021	12.1
131.08578	31.0
133.06508	3.0
133.10139	39.9
135.08009	5.9
135.11736	10.0
137.09599	5.4
139.07556	1.5
141.06973	4.1
142.07736	1.5
143.08542	5.7
145.06474	4.0
145.10129	18.6
147.08029	4.6
147.11687	23.8
149.09616	13.3
149.13214	4.8
151.11174	2.9
155.08563	5.5
157.10165	11.1
159.08031	2.4
159.11676	13.1
161.09590	2.0
161.13223	5.8
163.11160	8.0
165.09055	2.7
165.12798	3.1
167.08525	1.6
169.10118	6.2
171.11670	4.7
173.04460	5.8
173.09630	1.7
173.13274	4.5
175.11179	7.7
175.14731	1.5
177.12714	4.2
179.14296	12.1
181.10092	2.0
183.11742	3.6
185.13263	2.7
187.11220	2.2
187.14883	2.1
189.11182	3.6
189.12718	2.6
191.10698	2.4
191.14354	1.4
193.12239	24.2
194.12469	1.5
197.13193	2.6
205.12309	1.9
211.11313	2.5
211.13283	26.4
211.15219	1.6
219.17400	2.3
227.12820	4.6
229.14218	4.2
239.17932	2.7
247.20656	2.7
249.14871	1.7
257.19055	8.2
267.15955	18.5
269.17563	2.0
273.18744	1.6
275.20084	100.0
276.20322	2.4
279.15735	1.9
285.17007	10.5
293.21173	6.9
331.22427	1.8
349.23755	47.9
355.17651	3.7
411.19943	4.0
429.21252	19.9
437.33954	1.6
449.29532	1.5
455.35370	2.2
461.29141	2.5
473.36435	2.0
541.35272	58.1
542.35822	2.6
559.36230	27.9
685.39240	2.1
703.40521	59.4
704.40906	2.8
721.39423	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
53.03954	13.0
55.01880	15.9
55.05518	37.0
57.03443	17.2
57.07068	2.0
59.04992	2.2
61.02915	6.6
62.01707	1.7
65.03929	5.4
65.34351	1.8
67.05511	72.7
69.03432	31.6
69.06727	1.8
69.07076	22.7
69.16682	3.0
69.17025	18.3
71.01355	2.5
71.05014	13.7
73.02919	3.7
79.05499	67.3
81.03425	100.0
81.07065	91.0
83.04989	24.5
83.08623	24.1
85.02910	23.3
85.06534	5.3
91.03945	2.0
91.05490	75.4
91.08893	1.8
93.06474	3.0
93.07054	55.5
95.01297	1.8
95.04974	34.9
95.08060	3.5
95.08617	44.8
97.02904	25.1
97.06534	19.5
97.10175	13.3
98.97644	1.8
99.04468	8.4
99.08083	3.1
101.02402	1.9
103.05444	2.8
105.04520	3.1
105.07037	63.4
107.04955	17.6
107.08603	41.5
109.02888	15.1
109.06541	15.6
109.10163	24.3
111.04446	10.2
111.08102	13.3
113.06029	2.1
115.05453	5.4
117.07031	20.4
119.04986	1.9
119.08595	49.5
119.09465	2.9
121.06499	7.7
121.10150	28.6
123.04426	2.6
123.08086	7.9
123.11715	7.4
125.09639	11.9
127.03886	13.9
128.06215	6.2
129.05476	5.8
129.07010	15.5
131.08577	32.5
133.06488	3.3
133.10135	36.0
135.04420	1.8
135.08081	8.3
135.11667	11.8
137.05984	2.4
137.09621	8.5
137.13361	2.1
141.07036	5.6
141.09117	1.7
142.07770	2.5
143.08549	10.8
145.06497	5.6
145.10127	26.8
147.08052	9.1
147.11697	30.9
149.09644	18.4
149.13261	5.3
151.11130	3.7
153.09097	2.2
155.08588	6.6
157.10127	19.9
159.08139	3.7
159.11694	19.7
161.09610	5.6
161.13287	8.7
163.11200	11.6
163.14885	2.5
165.09138	4.2
165.12787	5.9
167.08554	3.6
169.10143	8.3
169.12231	1.7
171.10349	2.3
171.11731	6.9
173.04492	25.5
173.09642	5.1
173.13229	8.1
175.11192	13.6
175.14838	2.1
177.12750	5.2
181.10236	2.7
181.12213	3.8
183.11696	6.0
185.09590	3.2
185.13313	4.4
187.11194	3.3
187.14844	2.6
189.09187	2.0
189.11223	5.0
189.12737	1.9
189.16377	2.8
191.10645	3.9
193.12250	28.7
195.13939	3.5
197.13322	4.4
199.14824	3.2
201.12758	2.6
203.14268	1.9
205.15834	3.4
209.11555	2.4
211.13284	37.0
211.15210	1.9
215.14285	1.9
217.15819	2.2
219.01756	2.2
225.12833	2.5
227.12740	9.9
229.14281	4.6
229.19496	3.6
231.13844	2.4
233.15372	2.4
239.18005	3.7
244.28722	1.9
247.16980	1.8
247.20642	3.5
249.14833	2.0
257.19028	14.9
267.15891	21.9
269.17328	2.7
273.18451	4.3
275.20084	52.7
279.03723	1.9
283.15424	2.0
285.10172	2.0
285.16946	16.2
289.21411	1.6
291.19556	2.5
293.21210	5.7
299.19974	2.1
301.14221	3.1
331.22678	2.9
349.23770	28.6
355.17621	2.0
355.22607	1.8
367.24850	3.2
391.33511	1.8
395.20563	1.8
398.19461	2.1
409.34415	2.4
411.20068	2.8
429.21252	8.1
449.30450	4.3
461.29068	4.1
467.31467	4.2
479.30066	3.9
485.33292	2.0
493.27924	2.9
523.34058	3.4
531.36200	3.1
541.35321	33.3
559.36426	36.8
577.37146	4.4
623.34088	4.1
625.38165	2.4
667.37994	3.3
685.39154	4.9
689.51874	1.9
703.40820	18.2
721.41382	23.8
722.41681	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.4
55.01876	28.0
55.05515	33.4
57.03437	11.9
57.07081	2.2
59.04986	2.3
61.02933	3.4
63.08993	1.8
65.03933	5.2
65.81085	1.9
67.05509	70.6
69.03436	24.4
69.07072	34.9
69.36132	1.9
71.01350	1.8
71.04997	8.9
71.38313	3.8
73.02895	3.0
73.25934	1.8
79.05495	55.9
81.03420	90.4
81.06581	4.1
81.07059	70.5
83.04995	28.4
83.08627	29.2
85.02903	20.4
85.06535	2.4
87.04436	1.8
91.05485	75.5
93.06474	3.9
93.07049	55.3
93.07636	3.5
95.01328	6.2
95.04964	30.3
95.08611	38.8
97.02899	18.5
97.06526	41.0
97.10183	10.2
99.04491	9.0
103.05488	3.5
105.04500	2.3
105.07038	83.7
107.04955	24.4
107.08601	28.0
109.02869	13.1
109.06519	8.2
109.10162	18.1
111.04443	11.0
111.08096	12.6
113.05993	3.2
115.05492	4.5
117.07027	20.7
119.08587	61.8
121.06492	9.4
121.10154	21.6
123.04471	3.5
123.08070	8.2
123.11697	4.6
125.05991	2.3
125.09631	8.4
127.03904	10.0
129.05499	4.7
129.07007	16.7
131.08571	30.7
133.06505	7.9
133.10146	44.9
134.71716	2.0
135.08089	6.5
135.11719	10.4
137.09659	6.5
137.80984	2.1
141.07013	4.7
142.07823	4.1
143.08586	8.3
145.06476	6.0
145.10132	24.1
147.04536	2.0
147.08058	5.1
147.11694	24.5
149.09621	13.9
149.13269	6.4
151.07541	2.8
151.11205	4.6
153.12811	2.6
155.08537	4.7
157.06517	2.1
157.10114	17.5
159.11694	14.4
161.09654	5.0
161.13269	6.8
163.11211	13.3
165.09151	3.0
165.12753	5.8
167.08583	2.3
169.10162	6.1
171.11731	5.8
173.04424	9.1
173.09653	2.2
173.13269	7.8
175.11194	12.4
177.12785	5.8
179.14381	9.9
181.12231	3.2
183.11731	4.1
185.09724	2.7
185.13290	3.4
187.11160	4.1
187.14758	2.7
191.10760	2.5
193.12234	30.0
195.11725	3.0
195.13774	2.0
197.13266	5.6
199.14812	2.2
209.13371	2.7
211.13269	32.8
213.12704	2.3
217.15919	2.9
219.17624	3.0
227.12759	6.7
229.14316	2.1
229.19527	3.9
237.02823	2.3
247.20671	5.7
249.14896	2.9
257.19019	11.4
267.15952	29.3
269.17529	3.6
273.18500	2.8
275.20074	100.0
276.20416	2.3
278.16592	2.2
283.15616	3.0
285.16953	10.8
291.19531	3.4
293.20923	9.6
329.17010	2.1
331.22711	3.6
349.23770	46.0
355.17371	2.8
411.20154	5.8
413.17731	3.7
429.21262	23.5
461.28793	6.7
467.31171	2.1
479.30029	4.2
523.34344	3.3
541.35321	68.7
559.36432	35.7
572.21356	2.5
583.36163	2.1
685.39441	5.3
703.40540	59.0
721.38312	29.6
722.37482	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.7
55.01877	11.5
55.05274	2.2
55.05514	29.3
57.03239	1.5
57.03442	15.8
57.07072	2.8
58.49081	1.6
61.02913	3.9
65.03949	3.8
67.05509	63.5
68.35307	1.4
69.03432	28.9
69.07069	19.2
69.37331	13.0
71.01335	1.8
71.04981	10.4
73.02918	3.4
79.05495	59.3
81.03423	100.0
81.07059	75.8
83.04984	23.5
83.08623	23.7
85.02905	20.5
85.06538	4.4
91.05487	55.7
92.05824	1.6
93.06479	2.8
93.07050	46.6
95.04975	29.7
95.08617	30.7
97.02888	21.4
97.06543	13.0
97.10176	14.2
98.20712	2.7
99.04475	9.4
99.08101	4.5
103.05458	3.0
105.04502	2.6
105.07040	50.7
107.04980	13.1
107.08591	35.7
109.02892	16.1
109.06521	11.3
109.10163	20.0
111.04458	11.6
111.08099	9.5
113.02387	1.7
113.05988	2.4
115.05445	5.1
117.07017	20.2
119.04942	3.0
119.08590	43.3
121.06482	5.5
121.10159	15.9
122.97057	1.7
123.04399	3.1
123.08080	8.7
123.11726	4.5
125.09642	9.8
127.03956	11.3
128.06273	2.3
129.05484	4.8
129.07010	17.5
131.04901	2.4
131.08559	26.5
133.06491	5.7
133.10141	25.2
135.08083	7.8
135.11696	10.9
137.05920	2.3
137.09592	5.3
139.11119	1.9
142.07813	3.1
143.08592	10.8
145.06462	5.6
145.10132	22.6
147.04489	2.1
147.08032	6.0
147.11705	22.5
147.84296	1.8
149.09595	7.9
149.13231	3.8
151.11110	3.7
153.12662	2.1
155.08560	8.3
157.06517	1.8
157.10162	16.0
159.07968	3.9
159.11685	10.9
161.09625	5.8
161.13312	6.3
163.11197	9.0
165.09142	3.1
165.12717	5.2
167.08568	3.6
169.10184	8.0
171.08058	2.3
171.10358	2.8
171.11655	11.5
173.04474	35.0
173.09631	4.1
173.13283	8.3
175.11148	11.6
177.12753	2.8
179.08586	2.0
181.10173	3.0
181.12265	3.5
183.11725	4.0
185.09660	3.8
185.13231	6.2
185.46585	1.7
187.11191	2.2
187.14795	3.4
189.11209	6.3
189.12706	2.4
191.10660	3.7
193.10518	1.6
193.12244	25.4
195.11748	3.3
195.13748	3.2
197.13258	3.3
199.11143	4.0
199.14801	4.0
209.13300	2.6
211.11310	3.4
211.13264	33.9
223.11208	2.1
227.10742	1.7
227.12660	8.7
229.14221	2.5
229.19559	2.8
235.13229	1.9
239.18004	4.0
247.20474	2.4
249.14894	3.5
257.18945	7.4
267.15939	20.0
268.16351	2.0
269.17435	5.7
269.41248	1.7
271.13055	2.1
273.18582	4.2
275.17300	3.0
275.20096	35.9
283.15466	2.2
285.17026	12.8
291.19394	2.5
293.21152	5.0
299.20081	4.1
301.14514	2.2
315.23560	2.1
331.22690	3.9
343.22592	2.1
349.23694	21.6
355.17462	2.3
375.18301	2.0
411.19995	2.4
413.21762	1.7
429.21222	4.9
431.29025	2.1
435.27777	2.1
443.27954	2.5
447.27045	2.3
449.30530	4.1
461.29132	11.5
467.31332	4.0
479.29803	3.8
485.32565	3.1
493.27795	3.2
513.35455	2.2
523.34058	5.0
531.36438	4.5
541.27142	2.1
541.35364	41.2
559.36334	36.8
560.36102	1.9
577.37585	2.4
587.32220	2.9
601.36646	2.0
605.32892	1.9
623.34015	12.4
629.36267	1.8
667.38068	2.5
672.31622	1.9
685.38855	4.3
703.40558	19.8
704.40656	1.9
721.41797	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01860	1.8
55.05521	5.4
57.03437	1.9
57.07089	1.2
58.07048	0.7
67.05507	7.9
69.03427	2.3
69.07074	6.5
69.39589	3.2
69.39993	1.7
71.04993	1.4
75.87445	0.7
79.05498	6.4
80.16225	0.7
81.03420	6.0
81.07068	15.3
83.04977	2.3
83.08628	5.6
85.02885	3.8
85.06591	0.8
87.00838	1.0
91.05490	7.6
93.07050	12.5
95.04959	2.8
95.08612	17.1
97.02904	2.6
97.06522	2.5
97.10172	2.3
98.97556	1.1
99.04459	1.3
105.01894	0.8
105.07043	13.8
107.04971	2.2
107.08607	14.8
109.02879	1.0
109.06534	2.1
109.10169	10.2
111.04451	0.9
111.08116	1.7
113.09681	0.9
117.07037	1.6
119.08590	14.5
121.10166	14.6
123.08102	1.6
123.11705	6.6
124.64153	0.7
125.09631	1.3
127.03936	2.3
129.07011	2.0
131.08594	5.5
133.06572	1.1
133.10139	10.0
135.08060	1.4
135.11717	18.2
137.05949	1.1
137.13263	2.3
139.07489	0.9
143.08606	2.5
145.10107	4.8
147.08112	0.9
147.11691	10.3
149.09637	2.0
149.13269	6.7
151.07568	1.0
155.08607	0.8
157.10188	2.4
159.08115	0.9
159.11713	4.4
161.09633	1.3
161.13258	5.6
163.07538	1.4
163.11160	2.2
163.14867	3.4
165.09181	2.2
166.26660	0.7
169.10139	1.7
171.11688	2.3
173.09648	1.1
173.13306	2.1
175.11203	1.8
175.14827	4.0
177.12636	0.8
177.16379	2.7
183.11694	1.6
185.13251	1.6
187.11273	1.3
187.14879	2.7
189.16396	11.4
189.17950	1.2
191.14316	0.8
191.17937	8.7
193.12289	2.5
197.13220	0.8
199.14883	2.7
201.16452	3.7
203.17979	13.1
205.15923	1.0
207.11877	0.8
207.13765	0.9
211.13274	2.0
213.16420	1.6
215.17986	1.6
217.16006	1.0
217.19624	1.6
221.15479	0.9
227.17917	0.8
229.15958	1.0
229.19519	2.7
231.17511	2.0
233.15408	1.7
235.16982	2.6
241.19525	2.5
247.17012	1.9
249.18538	1.6
255.21101	1.7
257.19083	1.1
259.20688	2.3
269.22427	0.8
273.22195	1.1
275.19983	5.4
281.22739	1.1
285.17206	1.1
315.23172	0.8
349.23917	2.7
386.86252	0.9
391.33621	3.1
409.34769	9.6
411.36392	2.2
419.33145	2.2
427.35880	1.0
429.21021	1.7
437.34229	8.3
455.35266	100.0
456.35599	4.1
473.36279	2.6
541.35364	2.0
559.36316	2.5
703.39923	2.5
721.15979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.05519	20.7
57.03435	10.6
57.07067	6.2
65.03925	2.6
67.05510	63.9
67.89233	1.8
69.07076	18.9
71.05010	2.3
71.08633	3.2
71.54201	2.1
79.05502	73.9
81.03424	12.1
81.07069	58.9
83.05006	11.1
83.08624	9.9
85.02930	2.8
85.06567	3.8
85.76369	2.1
88.23160	1.9
91.05491	55.9
93.06479	4.4
93.07056	73.6
95.04989	18.5
95.08615	41.3
97.06543	2.8
97.10197	4.4
105.07040	39.4
107.04983	3.6
107.08607	26.9
109.06532	4.9
109.10187	10.4
111.08074	2.5
117.07033	8.2
119.08579	24.1
121.06422	2.1
121.10141	15.6
123.08064	3.7
128.06252	2.8
129.07028	13.3
131.08585	7.1
133.10147	11.1
135.11691	7.4
143.08571	7.7
145.10136	10.8
147.08061	1.9
147.11690	33.1
149.13284	3.0
159.11725	4.8
161.13275	12.3
171.11678	22.1
173.13289	3.1
184.07343	2.6
189.12770	8.8
207.13788	21.5
211.13342	5.9
243.21243	2.3
261.22226	7.4
265.82376	2.4
281.17514	57.8
285.16879	3.9
286.17352	4.3
313.27448	6.5
314.27762	4.7
317.24805	2.5
324.76318	2.9
335.25851	50.2
449.34052	1.9
524.40448	14.8
541.38953	100.0
542.39075	5.5
598.46252	2.2
624.28333	3.9
710.18256	2.0
721.50073	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	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	3.3
55.05515	10.2
57.03443	8.9
59.04998	1.3
61.02920	1.1
66.63035	0.6
67.05510	10.3
69.03453	1.6
69.07059	3.1
70.91271	1.0
71.01350	0.6
71.04985	1.9
73.02927	0.7
79.05494	13.7
81.03420	38.6
81.07062	12.9
82.14164	0.6
83.01344	2.9
83.04993	6.7
83.08617	12.5
84.46552	0.7
85.02906	2.9
85.06528	1.0
91.05479	11.7
92.21148	0.6
93.07050	13.2
95.04975	12.6
95.08594	5.3
97.02897	1.9
97.06526	2.6
97.09646	0.6
97.10162	4.4
99.04505	1.1
105.07037	7.7
107.04955	7.2
107.08591	6.5
109.02892	1.4
109.06525	3.8
109.10175	2.2
111.04433	1.5
111.08080	4.6
115.05515	1.1
117.07031	5.6
119.08588	8.2
121.02892	0.9
121.06516	2.4
121.10146	6.1
123.08083	4.6
125.05987	0.8
125.09679	3.4
129.06982	4.1
131.04955	1.1
131.08591	4.6
133.06509	2.0
133.10126	3.2
134.45215	0.6
135.08102	2.1
135.11682	4.4
137.06006	0.7
137.09602	1.8
143.08543	1.6
145.06534	1.5
145.10135	7.5
145.80533	0.6
147.04437	0.9
147.08049	2.6
147.11685	3.3
149.05952	0.6
149.09622	2.7
153.09085	1.0
153.12778	1.6
155.08574	1.5
157.06502	0.7
157.10104	3.2
159.08188	1.0
160.41000	0.6
161.06024	2.5
161.09601	0.7
163.11186	8.4
165.12849	0.8
171.08063	0.7
173.09647	2.8
175.11188	3.7
181.12260	1.5
185.13263	1.0
189.09123	0.9
189.11243	1.2
191.10721	2.0
193.12247	8.4
205.12175	0.8
209.11713	3.1
211.13289	2.0
213.12761	1.1
218.54082	0.7
227.12874	2.2
231.13805	2.1
243.13936	1.8
249.14877	1.3
265.14569	0.8
267.15924	23.5
269.15497	0.9
271.13422	0.8
273.14868	1.3
283.15408	17.1
289.14331	3.1
292.53992	0.7
337.21704	0.8
355.22668	1.9
365.21259	2.5
383.22198	12.4
401.23331	7.0
403.22534	0.8
419.24188	2.0
430.39426	0.8
439.24905	1.8
457.25851	25.4
458.26242	1.0
475.26947	100.0
476.27167	3.9
493.27948	10.6
509.28720	0.7
517.27972	1.7
628.56958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01880	2.5
55.05515	8.8
55.41965	0.4
57.03439	9.4
57.07063	0.8
59.04971	0.9
59.80635	0.4
61.02911	1.0
65.03911	1.0
67.05505	12.5
69.03441	2.7
69.07067	4.3
71.01334	0.9
71.04993	2.6
73.02901	1.4
79.05499	16.0
81.03423	40.8
81.07059	14.7
83.01331	1.5
83.04568	0.5
83.04984	6.3
83.08164	0.8
83.08624	11.8
85.02904	4.9
85.06521	0.9
87.04473	0.6
91.05487	13.2
93.07048	20.1
95.04384	0.5
95.04975	15.3
95.08611	15.9
97.02898	5.1
97.06542	4.0
97.10166	3.0
98.21496	1.4
99.04466	2.8
99.08101	0.8
103.05441	1.0
105.07037	11.9
107.04955	9.0
107.08603	12.7
109.02838	1.0
109.06522	4.0
109.10182	3.1
111.04449	4.1
111.08089	6.0
113.05988	0.9
115.05411	0.6
117.07023	5.0
119.07806	0.8
119.08585	11.4
121.06497	4.8
121.09341	0.6
121.10152	9.0
123.04425	0.7
123.08067	3.2
123.11692	1.4
125.05978	1.3
125.09636	2.8
127.03888	0.8
129.05453	0.8
129.07013	5.7
131.04922	0.8
131.08563	6.3
133.06473	1.9
133.10167	3.9
135.08034	1.8
135.11708	18.0
137.05968	0.8
137.09627	1.2
139.07539	0.8
142.07742	1.3
143.08551	0.7
145.04929	0.5
145.06477	0.9
145.10130	12.9
147.04427	0.6
147.08064	2.6
147.11694	4.0
149.09622	3.0
153.12764	3.0
155.08543	1.3
157.10138	6.9
159.11647	0.9
161.05978	0.6
161.09596	0.9
163.11188	30.6
165.12756	1.1
171.08081	0.6
173.05957	0.6
173.09641	2.7
175.11186	5.5
181.12227	5.4
185.13226	0.6
187.05975	0.5
189.09126	0.5
189.11191	1.2
191.10672	1.8
193.12267	15.1
200.26172	0.4
205.07251	0.9
205.12320	0.9
209.11816	2.3
211.13306	5.9
213.12860	0.5
223.13264	1.9
225.93517	0.5
227.12790	27.1
229.14310	0.5
230.01288	0.5
231.13867	0.8
241.14354	2.0
247.13205	0.8
249.14845	1.3
263.54401	0.5
265.14383	2.0
267.15927	61.5
268.16360	1.2
273.14932	0.5
283.15408	41.1
285.16937	6.2
289.14468	1.0
315.18051	2.6
365.21204	1.5
383.22263	5.9
385.06216	0.5
401.23251	3.3
419.24249	0.7
430.71997	0.4
439.24994	0.8
457.25830	11.9
458.26541	0.7
461.29019	0.4
473.13068	0.5
475.26947	100.0
476.27417	3.4
493.28018	12.5
493.35260	0.7
507.29706	2.3
517.28119	1.3
525.30664	11.5
546.65997	0.5
722.37555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05510	0.2
56.05030	0.5
57.07068	0.2
58.06597	1.4
58.06865	0.1
59.07386	1.1
60.08172	5.2
67.05514	0.5
69.03457	0.2
69.07063	0.2
70.06580	0.1
70.18516	0.4
71.07384	2.9
71.08624	0.2
79.05509	0.3
81.03417	0.2
81.07068	0.4
83.04976	0.1
84.85627	0.1
86.09716	25.7
87.10045	0.1
91.05473	0.2
93.07041	0.5
95.05000	0.1
95.08607	0.3
97.06508	0.1
98.98476	2.6
104.10756	2.1
105.07036	0.2
107.08599	0.2
109.10176	0.2
121.10229	0.2
125.00020	16.0
135.11752	0.1
142.73308	0.1
153.12767	0.2
163.01648	0.3
163.11131	0.1
166.02554	0.1
169.81287	0.1
184.07362	100.0
185.07765	0.6
214.77254	0.1
222.08981	1.3
224.10490	0.4
226.08267	0.1
238.08514	0.2
240.09999	0.3
253.04759	0.1
258.84689	0.1
282.11215	0.1
310.18069	0.1
335.25827	0.5
336.26077	0.1
341.12195	0.2
354.13062	0.2
366.20444	0.2
427.20050	0.1
447.30750	0.1
496.33908	0.2
542.39612	0.2
550.34991	0.2
620.43726	0.1
687.41095	0.2
722.46143	7.1
723.45367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
57.03436	4.8
57.07078	29.3
59.04985	2.8
60.08158	2.6
61.02921	2.0
61.26819	1.0
65.03931	1.4
67.05508	61.6
69.03413	1.3
69.07066	7.7
70.83746	1.0
70.84083	1.9
71.04993	17.0
71.08636	22.9
73.02914	0.9
79.05494	7.3
81.03434	2.2
81.07060	20.9
83.04962	3.0
83.08629	12.7
85.02906	3.0
85.06556	1.0
85.10185	14.2
86.09705	10.7
91.05476	8.6
93.07057	10.1
95.05001	1.1
95.08605	24.7
97.02878	2.5
97.06554	1.5
97.10173	5.2
98.98455	1.1
102.34206	0.8
104.10763	0.9
105.06999	1.5
107.08615	6.1
109.10160	65.6
111.08090	2.7
111.11714	1.8
117.07009	1.8
119.08582	9.9
121.10142	3.1
121.53175	0.9
123.11719	4.3
125.00009	7.5
135.11697	8.1
137.09630	9.3
137.13312	1.8
145.10121	2.6
148.68921	0.9
155.10645	4.7
163.11176	2.1
169.12097	1.8
173.11749	9.9
181.12210	1.6
184.07336	38.2
184.27809	0.8
187.13356	1.4
221.22639	0.9
239.23705	3.0
243.15962	2.5
255.15962	4.8
287.18539	21.8
313.23816	0.8
313.27365	23.3
355.92023	0.9
462.44757	1.1
467.37350	92.5
468.37506	3.0
481.39200	4.1
489.75809	0.9
493.38614	5.1
525.41534	100.0
526.41809	3.7
676.45544	1.6
722.45197	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32456	0.7
59.38702	0.7
69.03423	1.9
69.95074	1.6
69.95484	2.2
73.02901	0.9
74.77546	0.8
85.02920	4.3
95.55320	0.8
97.02896	1.7
98.97586	5.1
108.83035	0.7
110.97594	2.6
116.98598	1.9
119.01859	0.8
120.22747	0.7
127.03928	3.2
128.98625	2.5
139.85510	0.7
140.98581	1.1
143.00133	1.2
143.01921	2.1
143.82896	0.8
145.03482	1.0
145.04959	1.5
146.49548	0.8
150.03539	0.7
155.01878	1.9
158.99635	3.8
161.01382	0.9
161.02866	0.8
167.01955	0.9
167.50063	0.9
170.99687	3.6
173.02962	1.7
177.00693	1.8
179.50020	0.9
182.99696	2.7
185.02913	1.9
189.00656	3.1
201.00664	7.6
218.51718	1.0
219.01715	6.6
219.07278	1.3
221.05090	1.3
231.01617	1.0
231.07077	1.0
237.02722	2.1
239.52470	0.9
243.01796	3.4
245.05023	4.7
247.04822	1.6
261.02811	12.3
263.06097	1.8
269.85272	0.8
275.06149	1.4
279.03888	6.4
291.04001	1.9
299.54370	1.4
300.04263	1.2
321.04907	4.9
321.10339	7.1
351.05887	1.3
354.61179	0.7
365.09940	1.2
381.07895	100.0
382.08292	1.1
399.08072	2.7
441.09180	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	723.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05507	1.1
57.03431	1.0
57.07085	2.9
61.02926	3.6
66.58134	0.3
67.05504	1.6
69.03430	2.7
69.07056	1.1
69.70988	1.8
71.01354	0.3
71.04987	0.5
71.08641	2.3
73.02922	2.6
79.05482	1.7
81.03423	1.4
81.07053	2.5
83.04942	0.3
83.08616	1.4
85.02910	3.9
85.10175	1.1
86.09707	0.9
87.04495	0.3
91.03959	2.5
91.05479	0.6
92.45465	0.3
93.07045	1.7
93.61417	0.3
94.18211	0.3
94.87759	0.3
95.04961	0.6
95.08615	3.8
97.02897	3.6
97.10170	0.3
99.04471	0.9
101.02384	1.3
107.08571	1.0
109.02882	0.8
109.06580	0.4
109.10158	0.9
116.28295	0.3
119.08607	0.5
121.10110	0.6
125.00036	0.7
127.03944	1.1
133.10153	0.5
135.11676	2.7
145.10146	1.5
163.11186	3.6
181.12207	0.8
184.07339	3.0
185.04292	1.1
185.07710	0.5
203.05295	0.7
213.71185	0.4
219.09996	0.8
227.12784	3.2
243.08453	1.9
249.10979	10.2
305.13580	2.1
313.27432	1.2
404.38821	0.4
429.70612	0.4
467.18939	12.8
468.41922	0.4
472.20825	0.4
479.19983	0.4
482.55951	0.4
497.30945	6.9
543.36884	0.4
561.37946	0.9
723.42865	100.0
724.43225	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	723.4295
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
55.05509	1.9
56.26170	0.8
57.03465	2.1
57.07078	2.8
60.85452	0.8
61.02935	4.9
67.05507	1.2
69.03439	2.4
71.08638	2.5
71.53692	1.1
71.54082	0.9
73.02911	3.5
79.05517	1.6
81.03421	2.6
81.07060	2.6
81.35095	0.8
83.04999	1.2
83.08630	1.2
85.02913	4.2
91.03979	3.1
91.05491	1.6
93.07077	1.8
95.08613	2.0
97.02900	4.5
101.02389	1.4
107.08607	1.4
109.10184	0.9
127.03935	1.4
135.11703	1.2
163.11255	1.5
213.12926	0.9
243.08575	1.8
313.27347	1.2
433.38766	1.0
467.19043	7.3
497.30832	5.0
520.81274	1.0
528.41272	1.1
618.29370	1.1
723.42963	100.0
724.43353	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	723.4289
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
51.67903	0.4
53.03941	1.2
55.05511	1.8
57.03432	1.8
57.07081	0.5
61.02934	3.5
67.05508	5.1
69.03423	2.8
69.07092	2.8
70.78864	1.1
71.05000	0.5
73.02922	2.8
79.05486	3.7
79.96233	0.5
81.03413	3.7
81.07062	5.0
83.04995	1.3
83.08606	2.4
85.02904	5.1
86.09695	1.2
91.03964	2.9
91.05492	2.5
93.07041	4.1
95.04958	1.3
95.08612	4.2
97.02894	3.3
97.06534	1.1
97.10166	1.0
99.04453	1.3
101.02387	1.3
105.07042	1.7
106.54395	0.5
107.08555	2.7
109.02897	0.7
109.10169	1.5
111.08062	0.6
117.07035	0.6
117.20006	0.4
119.08593	1.6
121.10158	1.8
123.11752	0.5
125.00007	0.9
127.03924	1.6
129.07050	0.6
131.08591	1.4
133.10135	1.9
135.11670	2.5
145.10130	1.2
147.11716	1.3
149.13329	0.8
157.10127	0.6
163.11130	2.3
175.11221	0.9
184.07314	5.8
185.07715	0.5
193.12256	1.1
211.13385	1.1
227.12811	3.1
243.08501	1.9
251.12553	1.2
260.10394	0.5
261.22159	0.5
283.15387	3.0
285.17068	0.6
311.25916	0.9
335.25955	2.7
469.20425	6.7
474.30597	0.4
495.29321	4.0
543.36938	3.1
561.37256	0.7
581.88251	0.5
597.17926	0.5
723.42865	100.0
724.43280	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	723.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01880	6.2
55.05520	22.8
57.03434	7.2
61.02907	4.4
65.03967	3.2
67.05511	49.2
69.03426	7.1
69.07066	16.9
71.05010	5.4
71.05398	4.0
71.05728	3.0
73.02915	2.8
79.05505	32.5
81.03437	24.1
81.07059	50.7
83.04972	7.7
83.08633	13.9
85.02906	9.3
85.06539	3.2
86.09707	5.6
91.05477	38.6
93.07043	36.3
95.04989	9.1
95.08606	28.6
97.02879	7.1
97.06534	8.5
97.10184	6.9
101.06123	2.6
105.07033	35.6
107.04972	4.5
107.08591	20.9
109.06477	3.9
109.10156	18.5
111.08093	6.0
116.31341	2.7
117.07036	19.2
119.08586	27.4
121.06506	3.8
121.10139	17.4
123.08097	3.0
125.09646	3.9
127.03867	4.4
128.06181	5.4
129.07001	15.1
131.08571	30.0
133.06459	2.8
133.10127	22.4
135.08104	3.3
135.11682	10.3
137.09593	5.7
141.06964	4.6
143.08588	16.8
145.10159	19.9
147.11673	13.0
149.09613	6.4
153.12814	3.3
155.08586	11.7
157.10155	17.9
159.11678	13.2
161.09573	3.1
161.13283	6.9
163.11153	4.8
167.08580	4.0
169.10124	9.4
171.11708	10.4
173.13239	9.3
175.14845	3.1
179.08586	3.3
181.10138	8.9
183.11702	11.8
184.07320	3.3
185.13217	8.2
193.12260	7.7
195.11705	6.7
197.11594	3.4
197.13290	9.9
199.14824	7.4
209.13167	6.8
211.13239	4.6
211.15009	3.7
213.16431	4.3
221.13347	5.0
223.14842	4.0
225.16449	3.8
227.12767	4.6
229.14442	4.4
241.19489	6.8
259.20645	8.0
267.15994	6.8
275.20221	5.2
297.22144	3.3
315.23340	3.9
333.24240	6.2
353.16187	3.7
353.24835	3.3
415.29486	3.3
433.31268	15.3
451.31934	15.7
469.32663	6.9
471.32150	3.1
485.32751	4.6
507.34814	6.3
517.35638	4.0
525.35675	43.6
543.36841	100.0
561.37854	31.3
705.42004	4.6
723.39453	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	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05270	0.7
55.05513	9.2
57.03437	9.8
65.03931	1.0
67.05176	1.0
67.05507	14.8
69.03419	3.1
69.07072	3.3
71.05016	1.5
77.31596	0.6
79.05494	16.9
79.55193	0.6
81.03418	70.8
81.07056	15.3
83.04980	7.0
83.08139	1.3
83.08620	18.9
85.02908	8.4
85.06536	1.2
91.05480	20.1
93.07049	10.6
93.59573	0.7
95.04964	23.7
95.08613	4.9
97.02872	1.9
97.06531	2.3
97.10168	4.4
99.08114	1.0
105.07037	15.1
107.04964	7.6
107.08621	4.6
107.98542	0.6
109.06525	3.8
109.10142	3.0
110.77524	0.6
111.04446	2.0
111.08078	8.4
115.05457	1.4
117.07027	2.3
119.04923	1.4
119.08578	13.9
120.73597	0.7
121.06494	3.5
121.10143	6.7
123.04441	0.6
123.08057	2.3
125.09635	3.8
129.06992	9.3
131.08577	10.7
133.06480	2.7
133.10132	7.0
135.08081	1.1
135.11674	0.8
137.06065	1.0
137.09637	2.2
138.55826	0.7
142.07785	2.3
143.08521	1.0
145.06490	3.0
145.10120	1.4
147.08058	4.0
147.11702	7.5
149.09660	4.8
155.08612	1.3
157.06578	1.1
157.10138	12.2
159.08029	1.2
161.06003	0.9
161.09561	1.0
163.11186	1.9
165.12744	2.0
175.11169	11.5
177.12776	1.0
185.09596	1.0
187.11174	0.7
193.12248	29.9
205.12231	1.3
211.11349	0.8
211.13298	14.4
227.12605	1.0
231.13875	0.9
249.14812	2.0
255.13803	2.1
267.15912	100.0
268.16302	1.8
273.14862	3.5
285.16980	12.2
309.16910	1.1
339.23178	1.3
341.21259	1.6
349.21591	2.7
357.24030	0.8
367.22635	10.0
385.23776	8.4
403.24890	2.4
405.25037	0.7
415.24622	0.8
433.25900	14.6
441.26364	7.5
459.27411	74.7
460.27707	2.2
477.28488	40.4
478.28851	1.0
491.29764	1.4
519.29712	1.3
603.31293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01879	2.0
55.05515	21.7
57.03437	20.3
57.07080	2.4
61.02916	5.9
65.03940	3.0
67.05505	66.7
69.03452	3.1
69.07071	16.4
69.26073	1.6
71.04996	4.3
79.05492	47.5
81.03418	93.9
81.07059	62.4
83.04984	5.1
83.08620	25.4
85.02906	3.9
85.06514	1.6
91.03977	3.0
91.05482	34.2
93.07043	49.8
95.04967	28.8
95.08605	47.5
97.02893	3.1
97.06528	4.5
97.10170	6.1
101.67608	1.9
103.05451	2.0
105.04515	2.4
105.07039	27.0
107.04959	5.7
107.08594	27.6
109.06516	4.5
109.10152	20.1
111.08104	5.9
117.07018	8.2
119.08591	22.6
121.06484	3.6
121.10144	29.8
123.08099	3.4
123.11727	4.9
129.06982	10.3
131.08574	17.6
133.06511	4.2
133.10147	15.7
135.08095	3.2
135.11690	12.6
137.09642	3.3
142.07748	2.8
144.15831	1.8
145.10168	12.0
147.08080	4.4
147.11684	11.5
149.09604	6.7
149.13217	9.4
157.10179	11.2
159.11685	9.2
160.11156	2.6
161.13286	3.0
163.11198	3.4
163.14799	2.5
165.12814	2.2
171.11676	3.3
173.13277	5.4
175.11151	10.1
175.14880	2.9
177.16388	2.7
184.07306	2.2
187.14716	4.2
189.11237	2.5
193.12202	20.4
224.66502	2.1
227.12744	6.7
235.13181	2.5
243.21078	5.0
249.14949	2.5
261.22195	22.8
267.15912	98.8
273.14960	2.3
281.17377	1.9
301.14392	2.7
301.25317	4.8
309.17279	3.8
317.24765	5.4
335.25803	100.0
421.25732	1.7
435.32684	4.6
453.33585	8.4
471.34363	3.9
527.37354	55.3
544.40710	2.8
545.38348	29.6
569.37885	6.4
595.47107	9.9
724.45239	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	725.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27140	0.6
53.03947	0.9
55.01868	1.0
55.05515	3.2
57.03435	3.0
59.04994	2.0
61.02924	3.2
67.05512	6.7
69.03438	2.7
69.07069	2.6
69.19301	0.6
69.38709	4.4
71.04995	2.1
73.02919	2.1
74.19466	0.6
79.05494	6.1
81.03427	5.1
81.07059	7.2
83.04980	1.3
83.08627	1.9
85.02915	5.2
87.04463	2.4
91.03958	2.2
91.05473	4.7
93.07059	5.6
94.07431	0.8
95.04980	2.0
95.08612	4.5
97.02911	3.5
97.06547	2.0
97.10184	1.0
98.20744	0.9
99.04459	0.8
101.02395	1.4
105.07022	3.8
107.05006	1.0
107.08602	2.7
108.08978	0.7
109.02924	0.9
109.06492	0.9
109.10166	4.5
117.07069	0.9
119.08588	2.2
121.10182	2.6
123.08069	0.6
123.11739	0.9
127.03954	1.5
129.07031	1.2
131.08597	2.1
133.10121	3.3
143.08563	0.7
145.10120	1.3
147.11665	3.3
149.09651	2.3
149.13277	1.3
153.00571	0.6
157.10114	0.9
160.66893	0.6
161.09717	0.9
161.13251	1.1
165.09207	1.4
173.11757	1.1
175.11197	1.1
193.12177	1.5
215.14386	0.7
229.14343	1.4
230.14803	1.1
243.08537	2.1
247.13211	0.8
259.07690	0.6
267.15823	0.6
269.17584	2.3
270.17911	1.5
283.15286	2.6
303.15799	0.8
327.18320	0.7
333.31326	0.6
338.56192	0.6
339.18057	0.8
374.10413	0.6
423.27487	2.3
424.27719	4.5
451.40805	0.6
465.21078	8.1
469.20770	0.9
501.23096	12.2
725.37207	100.0
726.37988	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01866	0.5
55.05512	1.3
57.03436	2.4
57.07069	2.6
59.04989	0.3
60.32643	0.2
61.02927	5.1
67.05171	0.3
67.05507	4.1
69.03434	2.5
69.07072	1.8
71.01363	0.6
71.05008	0.9
71.08635	1.8
72.13300	0.2
73.02921	3.4
79.05492	2.6
81.03419	3.2
81.07058	4.8
83.04979	0.5
83.08620	2.1
85.02906	6.8
85.06543	0.4
85.10186	1.4
87.04490	0.4
89.06033	0.2
91.03951	3.0
91.05482	2.3
93.07042	2.9
94.81354	0.2
95.04973	0.9
95.08604	3.8
97.02896	4.3
97.06515	0.3
97.10186	0.7
98.20795	0.5
99.04465	0.9
99.08073	0.2
101.02375	2.0
103.03965	0.5
105.07018	1.4
107.04964	0.5
107.08575	1.6
109.02905	0.8
109.06543	0.4
109.10133	1.4
111.08102	0.6
115.03957	0.4
117.07073	0.3
119.08574	1.1
120.57301	0.2
121.10145	1.3
123.08063	0.2
123.11725	0.7
127.03902	1.6
129.07047	0.6
131.08600	1.0
133.06516	0.2
133.10132	1.3
135.11696	0.6
137.13292	0.3
142.07838	0.2
145.05051	0.3
145.10109	0.3
147.11649	0.9
149.09645	0.3
149.13280	1.0
157.10146	0.9
159.11736	0.4
175.11217	0.6
185.04272	0.5
193.12253	1.0
194.49503	0.2
195.13744	0.2
199.88925	0.2
201.07568	0.2
203.05383	0.2
211.13310	0.8
239.23737	0.3
243.08392	2.4
251.12482	1.1
261.22232	0.4
267.16153	0.3
269.17468	2.3
285.16925	0.3
313.27328	1.5
335.25827	2.6
469.20462	8.7
497.30865	4.5
498.31015	0.2
499.21918	0.2
529.38940	4.6
627.46295	0.2
672.56592	0.2
725.44421	100.0
726.44751	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	725.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01867	4.7
55.05271	2.5
55.05516	31.6
55.73568	2.8
57.03436	22.5
57.07076	2.4
62.95506	2.1
65.03928	3.8
67.05509	74.0
69.03415	10.3
69.06792	1.8
69.07071	20.2
70.26691	2.2
71.04996	6.8
79.05076	3.5
79.05500	59.8
80.05830	2.5
81.03422	87.6
81.07061	74.9
81.10388	2.1
82.07365	4.9
83.04992	22.1
83.08222	2.9
83.08627	31.6
85.02448	3.0
85.02914	30.8
85.06525	5.3
90.34630	2.4
91.04913	2.4
91.05486	49.0
92.05827	3.0
93.06489	3.8
93.07047	57.9
95.04979	30.0
95.08617	48.7
97.02892	7.2
97.06516	9.5
97.10168	10.7
99.04453	3.4
99.08103	3.7
105.07034	35.0
107.04951	8.4
107.08588	30.0
109.02883	2.8
109.06529	8.4
109.10172	19.3
111.04460	2.8
111.08093	14.1
113.06020	2.5
117.07015	8.4
119.08589	34.0
121.10154	24.1
122.25590	2.3
123.08056	8.6
123.11686	6.0
125.00040	3.1
125.09642	2.5
129.00592	2.3
129.07004	11.4
131.08575	23.2
133.10149	16.7
135.11691	15.6
137.09605	2.5
138.06567	2.2
142.07758	2.7
143.08556	2.5
145.10132	6.5
147.08017	5.9
147.11702	23.4
149.09595	7.4
149.13232	5.3
154.16983	2.6
157.10153	14.7
159.11679	5.3
161.13214	3.4
163.11229	2.1
163.14894	2.5
165.12802	2.6
169.10098	2.3
173.13246	4.6
175.11215	17.7
183.11639	2.2
184.07288	4.6
193.12256	48.4
211.11313	4.7
211.13306	73.8
211.15295	4.4
212.13611	3.8
227.12715	4.1
243.21268	2.2
247.24344	2.1
261.22122	8.6
267.15912	19.3
285.14063	4.0
285.17014	60.5
285.20160	3.4
317.24738	2.6
335.22052	4.4
335.25812	68.4
336.26086	7.6
429.21558	5.0
435.32458	3.6
453.33606	2.8
527.37451	11.0
528.37384	4.8
545.38391	100.0
546.38568	15.5
563.39685	3.3
690.43042	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01870	10.0
55.05513	46.7
57.03440	30.6
59.04989	4.4
61.02910	5.9
65.03916	4.0
67.05505	100.0
69.03430	11.5
69.07068	16.8
71.01337	4.0
71.04980	10.1
71.36309	2.5
73.02896	4.2
77.03889	1.4
79.05492	55.5
80.05838	1.3
81.03419	95.6
81.07056	63.4
82.03773	1.8
82.07365	2.0
83.04982	25.6
83.05826	1.1
83.08624	35.3
85.02905	41.0
85.06541	6.2
87.04452	6.2
87.47703	1.4
91.03955	3.3
91.05483	57.5
92.05821	1.7
93.07045	38.3
95.04971	36.9
95.08063	1.6
95.08614	23.8
97.02905	13.5
97.06529	10.8
97.10172	27.7
99.04476	2.7
99.08070	2.2
103.03943	1.4
105.04550	1.5
105.07030	32.5
107.04962	18.7
107.08587	27.0
109.02834	2.4
109.06508	8.6
109.10158	58.2
111.04441	9.7
111.08101	17.2
113.05977	2.3
115.05457	2.4
116.04706	5.0
117.06997	7.5
119.04967	1.7
119.08581	32.0
121.02878	1.6
121.06496	5.4
121.10152	19.7
123.04444	2.1
123.08106	6.4
123.11637	1.9
125.06017	1.7
125.09631	25.8
127.03906	3.7
128.06181	1.3
129.05521	9.4
129.07002	19.8
131.04892	1.8
131.08585	21.5
133.06535	6.8
133.10135	25.1
135.08055	3.6
135.11690	8.4
137.05942	3.7
137.09608	7.6
139.03899	3.0
139.11174	2.1
142.07742	4.0
143.07014	3.3
143.08543	1.5
143.10681	5.8
145.06499	2.8
145.10098	9.0
147.08037	6.1
147.11673	18.9
149.05930	1.9
149.09608	11.8
151.03886	1.4
151.11273	1.6
153.09007	1.9
153.12769	8.3
155.08568	2.8
155.10664	6.7
157.08606	4.6
157.10110	23.1
163.11197	12.8
165.09079	1.8
165.12732	4.7
166.06041	1.6
167.07011	2.0
173.09543	3.2
173.11775	18.9
175.11180	21.8
181.12247	3.1
184.07379	2.4
187.11197	1.7
189.11240	4.6
191.10678	6.0
193.12248	74.5
199.13309	11.8
205.12215	1.6
209.07367	1.3
209.11755	12.3
211.13298	91.0
212.13689	2.6
217.14297	2.9
219.13799	2.7
227.12743	19.3
229.14334	75.9
245.13814	1.7
247.13249	9.7
249.14847	3.0
265.14316	1.9
267.09061	2.2
267.15918	54.2
277.14896	1.6
283.15399	12.7
284.15894	2.0
285.16977	70.9
301.16470	35.1
313.16144	1.7
319.17535	1.7
321.16873	3.5
383.21954	3.8
409.25815	4.7
421.25830	16.7
427.26874	5.9
439.26923	58.3
459.27695	1.5
475.27048	9.2
476.27542	2.3
493.27997	21.3
511.28983	31.8
529.30023	9.1
726.41595	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	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35425	1.0
53.03957	5.4
55.01868	9.4
55.05515	50.5
57.03441	24.7
57.07087	1.9
59.04993	4.1
60.08165	2.1
61.02943	5.3
65.03934	3.7
67.05508	98.3
69.03440	10.4
69.07073	17.1
69.44749	0.9
70.66321	1.6
70.66667	1.3
71.01352	1.8
71.04995	9.1
73.02913	4.0
79.05498	53.2
81.03421	87.5
81.07062	63.0
83.04990	26.6
83.08624	39.5
85.02911	43.9
85.06550	6.1
86.09715	11.7
87.04464	11.4
91.03952	1.7
91.05486	56.6
93.06477	1.6
93.07050	32.7
95.04976	35.4
95.08055	1.8
95.08614	25.6
97.02898	11.2
97.06522	9.0
97.10177	28.8
97.76892	1.0
98.98431	1.4
99.04464	2.1
99.08070	2.1
99.22895	0.9
103.03907	2.4
103.05444	1.1
104.10725	1.2
105.07039	33.8
107.04953	13.1
107.08604	25.0
109.02856	1.7
109.06522	8.1
109.10162	67.8
111.04442	4.6
111.08079	15.7
113.05991	4.1
115.05439	2.3
117.07032	5.6
119.04977	1.8
119.08597	34.8
120.08089	1.0
121.06506	3.3
121.10153	15.2
123.04426	2.4
123.08077	5.1
123.11691	4.0
125.00026	10.2
125.05980	1.7
125.09641	27.3
127.03931	3.0
127.07565	1.9
127.11136	1.1
129.05489	2.7
129.07018	15.8
131.04898	1.0
131.08586	16.9
133.06494	4.0
133.10146	22.7
135.08047	2.0
135.11723	5.4
137.05986	1.5
137.09618	7.0
139.38583	0.9
142.07744	4.0
143.08621	1.0
143.10658	3.8
145.10133	7.8
147.08057	6.4
147.11696	21.9
149.09627	10.7
151.07516	1.7
151.11108	2.0
153.12796	2.9
155.08600	1.2
155.10669	6.2
157.08804	1.2
157.10143	21.8
163.11182	9.9
165.09166	2.4
165.12720	5.8
173.09593	2.1
173.11760	21.9
175.11183	22.4
181.04900	1.0
181.12225	3.0
184.07358	47.6
185.13286	1.1
187.11079	1.4
189.11223	2.6
191.10632	4.2
193.12256	70.3
199.13295	11.3
205.12215	1.2
209.11746	5.1
211.13307	100.0
217.14420	3.0
227.12804	12.0
229.14362	81.3
230.14653	1.0
243.15771	1.2
249.14767	1.9
257.13852	1.6
267.15927	42.6
268.16324	1.4
283.15457	7.7
285.16980	82.6
286.17371	1.8
287.14850	2.7
301.16476	25.3
313.16501	1.7
319.17545	2.4
383.22110	2.4
401.23206	2.2
402.77451	1.3
409.25876	8.1
421.25891	21.7
427.27017	9.7
428.27560	1.3
439.26941	75.9
440.27289	2.3
447.27344	1.3
461.28632	2.0
475.26941	6.7
493.28134	8.9
511.29028	26.7
529.30011	11.1
676.34198	4.4
726.41388	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82169	1.4
53.03938	6.2
53.25182	1.3
55.01875	13.0
55.05513	43.2
56.96552	1.6
57.03441	27.9
57.07090	2.5
59.04990	4.0
61.02919	6.0
65.03931	5.1
66.00646	1.3
67.05508	81.0
69.03433	11.8
69.06729	1.5
69.07073	14.5
69.25585	1.4
69.33370	12.0
71.01350	2.8
71.04995	9.3
73.02914	6.1
77.03909	1.7
79.05498	51.1
81.03421	100.0
81.07063	56.1
83.01332	1.4
83.04984	28.8
83.08619	38.9
85.02907	35.3
85.06538	4.0
86.09665	1.6
87.04476	4.6
90.24265	1.2
91.03963	2.6
91.05488	56.9
93.07043	40.8
95.04977	43.4
95.08616	21.1
97.02364	1.4
97.02904	11.5
97.06539	11.2
97.10171	24.0
98.07309	2.5
99.04440	3.3
99.08106	2.5
101.06016	1.8
103.03972	1.5
103.05480	2.0
105.07038	40.0
106.07349	1.8
107.04961	17.2
107.08604	23.5
109.02867	1.2
109.06535	9.8
109.10162	45.3
111.04456	11.9
111.08101	16.1
113.06001	1.7
115.05433	2.6
116.04695	5.1
117.05482	1.5
117.07035	8.5
119.04964	1.3
119.08578	29.4
121.02885	2.1
121.06528	6.2
121.09323	1.8
121.10149	21.6
123.04420	3.4
123.08057	6.1
123.11720	3.2
124.99965	1.4
125.05984	2.4
125.09630	19.5
127.03951	2.8
127.07544	1.5
128.06215	2.1
129.05510	11.4
129.07005	15.8
130.07732	2.0
131.04915	1.5
131.08560	18.7
133.06496	4.1
133.10147	18.3
135.08028	4.1
135.11696	12.1
137.05978	4.3
137.09627	5.3
139.03850	2.7
139.11156	2.7
141.07024	1.9
142.07788	4.7
143.07033	3.1
143.10612	1.9
145.04947	2.2
145.06485	1.7
145.10118	11.6
147.04443	3.1
147.07997	7.0
147.11717	18.4
149.06020	1.7
149.09637	11.1
151.11176	1.5
153.12746	10.1
155.08549	2.3
155.10631	3.1
157.08653	3.9
157.10112	20.6
159.08041	2.1
159.11649	1.6
161.09608	2.2
161.13277	1.8
163.03918	1.4
163.08838	1.2
163.11186	13.5
165.09120	3.2
165.12761	4.1
167.07059	1.4
171.10167	2.6
173.09557	3.9
173.11761	13.3
175.11195	17.4
181.12195	10.4
183.11624	1.8
184.07318	4.0
187.07465	1.5
189.09123	1.5
189.11201	6.2
189.42073	1.4
191.10643	6.3
193.12251	67.3
199.13316	8.1
209.11795	11.3
211.13293	81.8
219.86949	1.5
227.12798	21.0
229.14369	55.3
231.13741	2.5
245.13721	2.4
247.13318	13.9
249.14755	2.7
255.15891	5.4
259.49774	1.6
265.14410	2.7
267.15933	62.1
268.16098	1.6
283.15381	17.7
285.16977	62.3
301.16449	29.7
313.16708	1.7
321.17001	3.5
349.23767	4.5
355.22852	1.5
383.21951	2.2
390.54630	1.3
391.24619	1.7
401.23102	2.9
402.55359	1.4
409.25693	3.6
421.25864	9.9
427.27014	2.5
439.26944	48.7
457.25485	2.7
458.26578	1.9
459.26950	2.8
461.28284	2.4
475.26886	14.3
477.27972	2.2
493.27957	26.7
511.28955	22.8
529.29944	4.3
715.28467	1.5
726.30469	1.4
726.41022	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	2.1
55.01836	1.7
55.05460	13.2
57.03386	11.5
57.07022	3.7
61.02925	4.0
63.56829	0.7
65.03891	1.8
67.05507	54.3
67.05841	3.0
69.03380	2.4
69.07067	17.7
69.21152	1.3
69.21558	5.9
71.04935	2.7
71.08590	2.2
73.02860	2.9
79.05495	37.3
79.05927	1.3
81.03350	2.7
81.07059	65.5
83.04977	4.2
83.08620	10.4
85.02907	5.7
85.06496	2.9
85.10154	0.7
91.03896	2.3
91.05481	19.2
93.07047	51.3
93.07613	2.0
95.04987	3.9
95.08606	29.4
97.02881	3.4
97.06535	6.8
97.10123	2.7
98.21460	1.5
99.08044	1.7
102.11583	0.7
105.04494	0.9
105.07033	11.1
107.08599	28.4
109.06467	1.5
109.10161	9.7
111.08106	5.0
117.07003	7.3
119.08594	5.8
121.10142	20.9
123.07977	0.9
123.11717	3.8
125.09541	1.1
127.03834	1.0
131.08591	8.4
133.10138	8.1
133.43187	0.7
135.08052	0.8
135.11687	9.5
139.11133	0.9
145.10118	3.4
147.11690	5.3
149.13258	21.2
153.12532	0.7
157.10100	1.0
159.10498	0.8
159.11707	10.6
161.13184	2.3
163.14780	1.5
173.13170	2.6
175.14772	1.0
177.12692	3.2
177.16359	0.8
187.14818	1.3
195.13805	7.4
201.16472	0.8
206.68292	0.7
213.14809	1.1
243.08348	1.2
243.21068	2.1
247.06744	0.8
259.20572	1.0
261.22153	8.4
267.15799	2.2
269.17484	81.9
282.74265	0.8
312.18137	0.7
316.59866	0.9
317.24667	2.3
335.25803	54.2
339.91769	0.7
363.20020	0.8
437.33975	1.0
455.35406	1.8
469.20386	2.2
470.20782	3.1
498.31308	1.5
529.38916	100.0
530.39270	3.2
547.39795	2.3
563.92542	0.8
726.44818	54.5
727.45044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01863	1.2
55.05517	16.0
55.05767	0.8
57.03441	12.1
57.07038	2.3
61.02927	6.2
65.03899	2.9
67.05507	62.7
69.03391	2.6
69.07071	17.7
69.62095	4.3
71.04993	3.9
73.02881	1.9
75.78427	0.7
77.03904	0.6
79.05497	42.2
81.03388	2.7
81.07060	76.6
82.07347	1.0
83.04977	4.2
83.08622	11.2
85.02898	4.7
85.06496	2.4
88.06986	0.7
91.03928	1.3
91.04904	0.8
91.05483	24.1
93.07048	55.1
95.04948	3.4
95.08613	37.6
97.02849	2.9
97.06536	6.7
97.10134	2.0
99.08045	1.1
105.04523	1.6
105.06399	1.0
105.07035	12.5
107.08598	30.4
109.06492	2.1
109.09476	0.9
109.10155	13.1
111.08080	3.5
117.06353	0.9
117.07024	7.7
119.08585	7.0
121.06463	1.4
121.09326	1.0
121.10146	16.6
123.08054	1.1
123.11706	6.4
125.09606	1.4
131.07605	0.7
131.08569	11.4
133.10141	13.4
135.08041	1.7
135.11690	11.6
137.13246	1.6
139.11156	0.9
143.08508	0.8
145.10138	4.7
147.11682	4.3
149.12192	0.9
149.13269	11.5
151.11171	0.7
157.10059	0.8
159.11700	9.1
161.13225	3.0
163.14803	2.1
167.14233	0.9
173.13217	2.5
175.14819	1.1
177.12724	3.1
183.11766	0.8
184.07445	1.2
185.13197	0.7
187.14688	0.8
191.78748	0.7
195.13797	10.3
213.14769	1.9
243.21101	2.7
259.20648	0.9
261.22113	8.9
267.15961	0.9
269.17493	61.7
270.17786	1.0
275.19873	0.9
317.24713	2.9
335.25809	91.0
336.26199	2.4
435.31964	0.8
437.34109	2.2
455.35233	1.1
511.37787	1.4
515.21411	0.7
529.38910	100.0
530.38940	3.3
547.39899	2.6
726.45184	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1876
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
53.03942	0.2
53.98624	0.2
55.01882	0.3
55.05507	0.5
57.03449	0.4
61.02921	0.7
65.03939	0.8
67.05505	0.7
68.99812	0.3
69.03078	0.3
69.03436	4.1
69.07069	0.5
70.81078	0.5
71.01357	0.2
71.04988	0.3
73.02924	5.7
79.05511	1.0
81.03423	1.3
81.07067	1.0
83.04994	0.4
83.08623	0.3
85.02908	1.7
91.05489	7.7
92.05821	0.2
93.07071	0.9
93.07551	0.2
95.04983	0.4
95.08624	0.5
97.02906	1.7
97.06543	0.3
97.10178	0.3
98.97556	0.2
99.04448	0.2
103.05452	0.2
105.03407	0.2
105.07043	0.9
107.04963	0.7
107.08601	0.6
109.02869	0.4
109.06510	0.2
109.10196	0.4
111.00819	0.3
111.04447	0.3
111.08100	0.3
115.03939	0.8
115.05482	0.2
117.07001	0.2
119.04955	18.9
119.08580	0.6
121.02888	1.3
121.10164	0.6
122.72015	0.2
123.04434	0.4
123.08105	0.2
123.11745	0.2
125.05945	0.2
125.09606	0.2
127.03923	2.0
131.04958	0.3
131.08583	0.6
133.02827	0.2
133.10152	0.4
135.08012	0.2
135.11703	0.2
137.02338	0.2
137.05995	0.5
137.09595	0.3
137.67252	0.1
144.05669	0.1
145.06511	0.5
145.10124	0.3
147.04420	100.0
148.04779	1.0
148.12312	0.1
148.97330	0.2
151.03960	0.2
153.01837	2.0
157.06546	0.4
157.10075	0.3
161.06023	0.3
161.09651	0.2
163.11148	0.3
165.01828	0.9
165.05493	4.2
165.09113	0.3
167.07089	0.3
173.06009	0.2
173.09624	0.2
175.59262	0.2
183.02945	0.4
184.07352	0.3
185.05971	0.4
187.07666	0.2
193.12273	0.5
197.06137	0.2
201.05493	1.1
209.11734	0.4
211.13297	0.7
213.05490	0.7
217.08524	0.2
218.78452	0.2
225.05405	0.1
231.06616	0.5
238.76031	0.2
241.04965	0.3
258.05182	0.5
261.07614	3.3
267.16010	0.4
279.08737	1.4
283.15527	0.2
285.16962	0.6
286.17438	0.2
287.05521	51.1
288.05917	0.6
291.08606	2.2
301.16504	0.4
309.09735	4.2
475.26755	0.3
476.27045	0.3
493.28113	0.5
494.27927	0.3
511.28793	0.7
512.29218	0.6
552.90198	0.2
595.14758	0.2
726.40765	0.5
727.42535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05500	0.3
57.03440	5.0
59.04985	0.2
61.02687	0.2
61.02931	2.0
67.05516	0.2
68.99807	0.3
69.03434	7.4
69.07082	0.3
69.50298	1.1
69.50706	0.4
71.01356	1.2
71.04999	2.9
73.02919	9.4
75.04468	0.5
81.03407	0.7
81.07061	0.4
83.04968	0.9
85.02910	9.5
86.30608	0.2
87.04463	0.9
91.05508	0.3
93.07051	0.2
94.47057	0.2
95.04967	0.3
95.08604	0.4
97.02893	4.6
98.97591	0.6
103.03951	3.2
105.03410	0.3
107.04945	0.3
107.08599	0.5
108.82232	0.2
109.02879	0.9
111.00846	0.4
111.04428	0.5
113.06019	0.4
115.03932	3.5
116.75755	0.2
121.02866	1.4
121.10139	0.6
123.04455	0.3
127.03934	1.3
129.05536	1.4
133.02831	0.3
133.04987	1.5
137.02327	0.6
137.05960	0.6
139.03822	0.2
145.04990	1.0
147.04428	0.4
147.06503	0.9
149.04446	3.8
151.03857	0.3
153.01859	2.2
158.99655	0.3
165.01834	1.4
169.04942	1.0
175.06052	0.6
177.16440	0.5
183.02875	0.4
197.66972	0.2
198.81082	0.2
204.87061	0.2
207.09584	0.4
213.05478	1.0
214.08388	0.3
214.43265	0.2
225.07588	0.3
231.06546	0.6
241.04979	0.6
242.05888	0.2
243.08752	0.3
249.11203	0.2
258.05273	0.7
271.71515	0.2
280.10632	0.5
287.05505	100.0
288.05814	2.1
329.06686	0.4
333.09293	0.2
370.36465	0.2
419.97382	0.2
449.11163	0.4
466.20926	0.3
487.44635	0.2
597.48254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14337	0.1
57.03438	5.1
59.05006	0.1
61.02927	2.7
65.03930	0.1
67.05480	0.1
68.61701	0.1
68.99786	0.3
69.03429	5.4
69.18784	0.5
69.19206	0.9
71.01339	0.6
71.04996	2.8
73.02918	9.5
75.04495	0.7
75.04829	0.1
83.04979	0.5
85.02906	8.5
87.04464	0.8
91.03970	1.0
91.05524	0.1
95.04945	0.1
97.02293	0.2
97.02895	4.0
98.20753	0.2
103.03945	3.0
107.04962	0.4
109.02860	0.3
111.00796	0.5
111.04438	0.5
113.02339	0.2
113.06007	0.5
115.03166	0.2
115.03929	3.3
121.02850	1.5
123.04464	0.2
127.03934	0.6
129.05501	2.0
133.02788	0.4
133.04965	1.2
135.04381	0.2
137.02289	0.6
145.04916	0.3
147.04376	0.4
147.06532	0.8
149.04459	3.4
153.01820	2.3
157.06529	0.2
161.05905	0.2
165.01833	1.3
169.04968	1.0
175.05983	0.5
183.02881	0.7
185.05966	0.4
213.05437	1.0
225.07599	0.4
229.04964	0.2
231.06512	0.4
241.04991	0.5
243.08752	0.2
255.08684	0.2
258.05200	0.7
259.06067	0.4
269.04413	0.2
287.05493	100.0
288.05850	1.7
299.05505	0.2
329.06549	0.2
353.06573	0.2
396.14337	0.1
405.10284	0.2
449.10956	1.0
584.46387	0.2
727.22070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2081
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03940	0.2
55.01872	0.3
55.05507	0.1
57.03444	5.5
59.05007	0.1
61.02652	0.1
61.02934	1.9
68.99796	0.3
69.03437	7.0
70.65680	0.3
71.01366	0.9
71.05001	2.6
73.02925	10.1
75.04469	0.5
81.03422	0.7
83.04980	0.5
85.02916	9.7
87.04473	0.8
91.03938	0.2
95.04949	0.2
97.02903	4.0
99.04461	0.3
103.03948	3.4
105.03401	0.1
106.92908	0.1
107.04955	0.2
109.02894	0.7
111.00846	0.6
111.04472	0.6
113.02374	0.3
113.06015	0.5
115.03938	3.9
121.02106	0.2
121.02881	1.9
123.46468	0.1
127.03936	0.7
129.05493	1.7
131.03398	0.1
133.02852	0.4
133.04980	1.3
135.04437	0.1
137.02400	0.5
140.54254	0.1
141.07010	0.1
145.04970	0.8
145.06110	0.1
145.06303	0.1
147.04430	0.2
147.06541	0.8
149.04474	4.4
153.00711	0.2
153.01846	2.2
157.06570	0.2
165.01840	1.1
169.04976	1.0
175.06122	0.5
175.07587	0.1
183.02876	0.6
185.06030	0.3
189.05571	0.1
202.06573	0.1
213.05510	0.9
225.07567	0.3
231.06595	0.5
241.04951	0.6
243.08774	0.1
258.05304	0.7
259.06058	0.4
269.04553	0.2
286.04730	0.2
287.05521	100.0
288.05835	2.0
299.05630	0.2
329.06366	0.1
431.10202	0.1
449.11090	0.7
508.91718	0.1
523.51752	0.1
533.53314	0.1
595.03577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01877	0.6
55.05512	1.0
57.03441	1.6
57.18367	0.2
59.04993	0.8
61.02932	4.3
67.05226	0.2
67.05515	2.6
69.03440	2.4
69.07071	0.4
70.96421	0.4
70.96744	0.3
71.01358	0.7
71.05000	1.2
73.02930	3.1
79.05497	2.5
79.32580	0.3
81.03425	4.2
81.07065	3.1
83.01356	0.5
83.04984	1.1
83.08621	1.1
85.02914	4.6
85.06549	0.5
86.09701	0.3
87.04454	0.6
91.03960	2.7
91.05487	2.5
93.07059	2.7
95.04987	1.1
95.08621	1.2
97.02902	4.1
97.06542	0.5
99.04476	1.0
101.02402	1.6
103.03968	0.4
103.84079	0.2
105.07033	2.6
107.04954	0.6
107.08614	1.6
109.02900	0.9
109.06516	1.0
109.10175	0.6
111.08058	0.4
114.46844	0.2
115.03950	0.4
117.07058	0.6
119.08601	1.6
121.06535	0.3
121.10159	2.1
123.08102	0.7
125.06000	0.3
127.03915	1.6
129.07066	0.5
131.08591	1.4
133.10158	1.0
135.11705	0.8
137.09627	0.4
145.10130	1.4
147.11723	1.5
149.09662	1.6
157.10158	0.7
163.11197	1.9
165.09145	0.3
173.09668	0.4
175.11229	0.7
180.06544	0.3
181.12276	0.3
182.23575	0.2
184.07391	0.9
185.04251	0.5
193.12198	1.4
197.15479	0.4
209.11734	0.6
211.13260	0.5
225.14923	0.9
243.08461	2.3
249.11037	0.5
267.15982	0.7
283.15228	4.4
339.17990	0.9
347.40204	0.2
378.48526	0.3
417.39581	0.3
441.20917	0.4
448.27921	0.9
467.18970	8.8
469.20883	0.4
501.23090	9.4
517.92987	0.3
565.29749	0.4
695.32874	0.3
727.35156	100.0
728.35492	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05028	0.8
57.03425	0.2
57.07058	0.2
58.06604	0.5
59.88404	0.2
60.08164	6.8
60.08473	0.3
67.05514	1.1
69.07071	0.3
69.91420	0.2
71.07381	3.8
73.86892	0.2
74.66280	0.2
79.05494	0.4
81.07052	0.7
85.02921	0.2
86.09707	32.9
87.10049	0.2
91.05463	0.4
93.07042	0.7
95.08611	0.8
97.06469	0.2
98.20740	0.7
98.98468	3.3
104.10743	2.2
105.07030	0.3
107.08615	0.3
109.10159	0.2
117.06998	0.2
125.00010	20.2
130.33717	0.2
145.10143	0.2
166.02611	0.2
184.07343	100.0
185.07649	0.5
203.53317	0.2
271.15359	0.4
335.25836	0.6
420.89435	0.2
505.44202	0.2
531.36981	0.2
586.52887	0.2
728.44891	6.6
729.44531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
58.06624	0.4
60.08167	6.1
60.47768	0.1
61.76122	0.2
67.05503	0.5
69.07072	0.2
71.07378	3.2
71.39746	0.3
79.05504	0.3
81.07063	0.3
82.61244	0.2
83.04989	0.2
86.09709	31.8
87.10068	0.1
91.05463	0.2
93.07035	0.3
95.08636	0.4
98.98459	3.2
98.99044	0.3
104.10755	2.6
105.07044	0.3
111.47269	0.2
115.05405	0.2
119.08591	0.2
121.10194	0.2
125.00011	21.6
154.61819	0.2
170.56030	0.2
180.73508	0.2
184.07347	100.0
185.07654	0.5
187.72565	0.2
241.33656	0.2
248.16335	0.2
475.74261	0.2
518.32257	0.3
654.64301	0.2
692.79535	0.2
728.44934	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	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31629	0.1
56.05045	0.5
58.06621	0.4
59.07389	0.1
60.08165	6.3
66.85849	0.1
67.05495	0.3
69.07095	0.1
69.48845	0.5
69.49260	0.2
70.06590	0.1
71.06976	0.2
71.07374	3.8
73.40810	0.1
73.66199	0.1
74.64975	0.1
79.05489	0.3
81.07044	0.3
83.08612	0.1
85.10280	0.1
86.09708	29.8
87.10045	0.1
91.05465	0.3
93.07030	0.3
95.08595	0.3
98.98467	3.2
104.10750	1.9
105.07025	0.2
107.04941	0.2
119.08572	0.2
125.00008	20.4
131.08603	0.1
133.10120	0.2
143.01134	0.2
147.11775	0.1
149.13182	0.1
166.02640	0.1
180.59531	0.1
184.07343	100.0
185.07686	0.5
411.34534	0.1
468.23615	0.2
492.90042	0.1
531.36090	0.3
725.18347	0.1
728.44983	5.5
729.44324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.05030	0.8
56.16013	0.3
58.06609	0.5
60.08167	5.2
63.14455	0.3
67.05521	1.7
69.07047	0.5
71.07369	2.9
71.53092	0.4
79.05482	0.5
81.07052	1.4
86.09710	29.2
91.05479	0.6
93.07050	0.9
95.08617	0.7
98.98472	2.9
104.10724	1.8
105.07043	0.4
106.92204	0.3
107.08582	0.5
109.10127	0.4
125.00014	19.5
133.10126	0.8
143.00999	0.3
184.07350	100.0
185.07658	0.5
253.14357	0.6
271.15457	0.8
335.25729	1.3
382.77283	0.3
531.36877	0.9
554.20618	0.4
728.44830	5.3
744.19305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43058	0.8
53.03926	2.0
55.01872	4.0
55.05510	10.1
57.03439	5.5
57.07078	1.0
60.08151	1.9
61.02925	1.5
65.03961	1.1
67.05508	39.9
69.03417	3.0
69.07072	10.7
69.97038	4.1
71.04975	2.1
71.07372	1.5
79.05064	1.5
79.05496	19.4
79.05959	1.0
81.03409	3.2
81.07057	42.9
83.04984	5.0
83.08609	3.2
85.02908	2.8
85.06556	4.1
86.09715	12.0
91.05485	26.9
93.07049	26.8
95.04951	3.6
95.08610	17.4
97.02855	1.2
97.06529	2.6
97.10197	1.5
98.20818	1.0
98.98444	1.2
99.04493	1.2
99.08107	1.0
105.07037	22.7
107.04920	1.0
107.08598	25.5
109.06505	4.6
109.10162	42.0
111.08138	0.9
113.05988	1.9
117.07010	2.8
119.08592	5.0
120.40116	0.8
121.10143	7.8
123.08023	1.1
123.11714	9.9
125.00021	5.8
127.07558	2.8
131.08524	4.3
133.10138	48.7
135.11690	4.8
137.09590	0.9
137.13251	1.0
143.08609	1.0
145.10139	3.0
146.98149	2.4
146.99304	0.8
147.11713	2.3
149.13226	2.7
151.11197	25.6
159.11668	1.2
161.09669	2.0
161.13292	1.6
169.12242	3.9
173.13203	2.2
179.10652	1.3
184.07356	25.8
215.12767	2.6
243.21184	1.5
253.14355	100.0
254.14680	1.3
261.22122	11.6
271.15387	25.8
317.25049	1.4
334.32629	1.1
335.25806	44.7
336.26056	1.4
390.07742	0.8
435.65451	0.9
439.32135	1.1
457.32971	2.1
513.35864	9.0
531.36816	53.9
532.36737	1.8
545.37836	2.6
669.37506	5.8
728.44965	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	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36950	0.8
53.03935	1.9
53.91015	0.7
55.01875	4.5
55.05510	6.9
57.03434	6.6
57.07079	0.9
61.02913	1.8
64.24438	0.8
65.03934	1.5
67.05505	34.4
69.03429	3.3
69.07063	9.8
71.04989	2.8
71.08634	1.1
71.54000	0.9
79.05492	15.7
81.03407	3.1
81.07056	35.3
83.04965	5.8
83.08612	4.5
85.02889	2.5
85.06542	2.4
86.09708	3.5
88.22688	0.7
91.03949	0.9
91.05482	27.1
93.07043	21.3
95.04967	4.6
95.08606	13.7
97.02890	1.0
97.06537	3.3
97.10165	1.7
98.98466	0.8
99.04468	1.6
99.08066	1.0
101.06015	0.9
105.04543	0.7
105.07029	21.6
107.07871	1.4
107.08591	23.8
109.02863	0.8
109.06513	3.4
109.10155	39.5
111.04379	0.9
111.08091	1.3
112.71106	0.7
113.06049	1.4
117.06991	2.7
119.08560	4.3
121.10119	5.6
123.08090	1.1
123.11710	7.6
124.99983	1.9
127.07586	1.8
131.08542	3.8
133.10133	48.8
135.11713	5.0
143.08618	1.5
145.10112	2.9
147.11688	2.5
149.13242	2.2
151.11188	20.6
159.11700	2.4
161.09666	1.8
161.13239	1.8
163.14821	2.2
165.60440	0.9
169.12210	3.6
173.13223	1.9
175.14827	1.0
179.10645	1.3
184.07350	9.8
187.14871	0.9
197.11661	0.8
201.16391	1.0
215.12827	2.1
243.21080	4.0
253.14357	100.0
254.14691	1.8
261.22162	9.8
271.15396	30.9
279.22809	0.8
317.24661	1.0
335.25787	26.8
336.26508	1.0
339.28763	1.0
352.74911	0.8
374.56503	0.9
396.51694	0.9
439.31769	1.4
457.33316	1.0
513.35754	8.9
531.36786	34.6
669.36853	1.4
728.44861	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01862	1.9
55.05513	17.8
57.03434	14.3
57.07049	1.9
58.75509	1.3
60.08156	2.8
61.02906	5.6
61.03178	1.4
65.03925	3.8
67.05507	51.4
69.03409	5.0
69.07067	14.3
71.04979	4.9
72.53166	1.9
79.05495	48.2
80.06254	1.4
81.03421	54.5
81.07059	52.3
83.04987	13.3
83.08620	23.8
84.29794	1.5
85.02906	23.1
85.06529	2.6
86.09708	15.7
89.70533	1.3
91.05482	46.9
93.07043	44.3
95.04972	22.3
95.08054	2.5
95.08613	39.1
97.02885	4.1
97.06511	6.2
97.10151	5.8
105.06319	1.8
105.07027	33.5
107.04956	6.3
107.08591	29.1
109.06511	4.9
109.10168	10.5
111.04417	3.2
111.08120	9.0
117.06998	5.8
119.08580	24.4
121.06457	2.1
121.10147	16.5
123.08060	3.5
123.11705	5.8
124.99976	9.7
127.03909	1.7
129.07024	9.3
131.08580	14.2
133.06532	2.5
133.10132	22.6
135.11702	8.7
137.09615	3.6
139.03905	1.9
142.07733	2.3
145.10104	5.4
147.07887	2.0
147.11685	16.2
149.09610	5.4
149.13208	4.0
151.11180	2.6
157.10126	10.8
159.11671	4.9
161.13171	2.2
165.12717	4.1
173.13300	3.9
175.11171	11.6
179.10710	2.1
181.12097	2.0
184.05798	2.7
184.07356	51.4
185.07700	1.8
193.12244	40.7
211.13304	66.4
229.19569	3.9
247.20494	7.5
253.14406	2.5
262.55890	1.5
267.15924	11.6
271.15347	4.7
282.16809	1.6
285.16974	73.6
321.24268	68.3
335.25668	6.0
421.30719	2.5
439.32040	1.9
460.64920	2.2
513.35992	13.9
531.36823	100.0
532.36877	5.1
728.44440	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	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.05500	27.0
57.03431	15.3
65.03938	3.1
65.55571	2.9
67.05504	79.9
69.03452	3.1
69.07067	25.8
69.32729	22.9
71.01321	5.8
71.04971	6.9
71.73500	2.7
73.33009	3.1
79.05064	5.5
79.05492	74.8
81.03428	4.6
81.07056	55.5
83.04961	11.4
83.08613	10.7
85.02889	5.3
85.06547	6.3
86.09713	4.3
91.05482	67.9
93.07043	94.8
95.04980	8.5
95.08601	30.8
97.02870	4.1
97.06532	13.9
97.10167	13.7
98.20628	5.3
99.08111	6.2
105.04508	4.4
105.07033	58.1
107.04921	3.0
107.08597	56.0
109.06438	3.0
109.09485	3.4
109.10159	16.5
111.08109	3.9
117.07014	20.3
119.08575	55.5
121.10143	22.9
122.27433	2.9
124.99951	4.7
125.09642	4.0
129.06993	9.7
131.08582	26.5
133.10126	50.2
135.11691	67.3
137.09668	3.8
142.07658	4.1
143.08562	8.3
144.12840	3.0
145.10124	27.8
147.11679	40.0
149.09532	2.8
149.13237	9.1
151.11092	4.6
157.10109	13.6
159.11699	17.0
161.13240	22.2
163.11166	11.8
171.11696	13.6
173.13239	10.4
175.14832	14.1
181.12236	18.0
184.07335	23.3
185.13208	14.6
187.14781	4.3
199.14828	6.1
231.21246	3.8
235.68153	3.5
241.19508	35.3
253.14320	15.9
255.15903	100.0
259.20560	93.4
261.22266	3.5
315.23093	6.3
333.24274	58.0
335.25784	3.7
351.54660	3.5
369.69183	3.7
421.30945	8.8
439.32104	4.9
457.32858	4.0
513.35809	85.7
514.35889	4.1
531.36731	27.9
697.61133	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3079
Annotation	Licoagrodin
Peak:m/z	Relative Intensity
60.55886	0.5
61.02918	1.0
67.05490	1.6
69.03419	0.9
69.07076	0.7
70.08369	2.2
73.02912	0.6
79.05468	0.6
81.07043	1.1
83.08624	0.6
85.02885	1.1
88.04021	0.5
91.05485	0.7
95.08580	0.8
97.02883	1.1
98.26684	0.5
105.07020	1.1
107.04897	0.6
107.08591	0.9
114.58240	0.5
121.10137	1.2
127.03864	0.6
149.09598	0.8
161.77333	0.5
173.13208	0.6
193.12161	0.8
205.70432	0.5
267.09033	0.9
271.50793	0.5
285.10172	0.7
317.06287	1.0
326.97250	0.6
383.14929	0.6
401.15622	1.5
411.14005	0.9
449.23160	1.0
459.16254	1.9
469.20419	2.0
485.17801	1.7
501.17014	1.5
501.23087	1.6
543.25586	1.1
544.19159	4.6
557.19836	2.2
585.24225	1.2
627.27832	3.6
628.28381	3.7
641.29437	0.8
669.28503	0.9
683.30957	1.3
711.29993	2.3
712.30237	0.6
729.30597	100.0
730.31384	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	729.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05515	0.6
57.03446	1.5
58.04728	0.3
59.04995	0.9
61.02932	4.0
67.05509	1.6
69.03446	2.2
69.07067	0.8
70.04393	0.8
71.01357	0.4
71.04996	1.2
73.02911	2.5
79.05498	2.0
83.04989	0.7
83.08623	0.8
85.02917	4.4
87.04482	0.8
91.03969	2.0
91.05492	2.9
93.07059	2.1
95.05003	1.5
95.08601	1.1
97.02901	2.9
97.06532	0.4
99.04494	0.8
101.02383	1.3
105.07038	1.8
105.91260	0.3
107.04980	0.3
107.08607	0.8
109.02900	0.5
109.06521	0.4
109.10179	0.4
111.08101	1.0
119.08600	1.6
121.10144	1.4
123.08113	0.4
127.03961	0.9
129.07024	1.1
131.08591	1.4
133.10138	1.3
145.04990	0.4
147.08125	0.3
147.11673	1.4
149.09656	1.4
150.33649	0.3
157.10146	1.2
163.11209	0.3
175.11185	1.3
185.04294	0.5
193.12242	2.3
203.05264	0.3
207.38780	0.3
211.13358	0.6
225.14932	0.4
243.08443	1.8
251.12653	0.7
253.13994	0.3
267.16025	1.1
283.15213	3.9
285.16971	0.4
339.17953	0.8
469.20456	9.2
501.23083	10.3
502.23489	0.3
567.31531	0.7
654.89569	0.3
729.36688	100.0
730.37067	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	730.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.1
56.05042	0.7
57.03436	0.1
58.06631	0.5
59.07397	0.1
60.08167	6.4
67.05500	0.3
69.07088	0.1
69.29576	0.6
70.06594	0.1
71.07379	3.3
79.05489	0.2
79.64101	0.1
80.97388	0.1
81.07052	0.3
83.04955	0.1
85.02910	0.1
86.09711	31.3
87.10053	0.2
91.05486	0.2
93.07054	0.2
95.08612	0.2
97.06585	0.1
98.98469	3.3
104.10750	2.3
105.07027	0.1
106.34255	0.1
109.10159	0.1
116.99442	0.1
119.08589	0.1
120.06964	0.1
125.00011	20.8
133.10022	0.1
143.01080	0.1
166.02614	0.1
184.07350	100.0
185.07713	0.6
468.23755	0.2
605.85449	0.1
644.48273	0.1
725.76227	0.1
730.46558	6.6
731.46729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.1
56.05038	0.7
57.03435	0.1
58.06628	0.5
59.07392	0.1
60.08168	6.5
67.05515	0.4
68.85436	0.1
69.07075	0.1
69.43573	0.6
70.06586	0.2
71.07378	3.7
79.05489	0.2
81.07071	0.5
83.08640	0.1
86.09711	32.8
87.10042	0.1
91.05477	0.3
93.07047	0.2
95.08622	0.2
98.98471	3.6
104.10751	2.4
105.07059	0.2
107.08554	0.1
109.10175	0.2
114.35455	0.1
121.10155	0.1
124.73688	0.1
125.00014	21.8
126.00388	0.1
143.01076	0.2
159.11789	0.1
166.02663	0.2
181.12173	0.1
184.07352	100.0
185.07732	0.6
203.74043	0.1
294.08383	0.1
335.25943	0.1
449.66718	0.1
489.36285	0.2
520.33667	0.2
533.37988	0.1
730.46564	8.0
731.46735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.5
55.05439	0.8
57.03334	1.6
57.18325	0.4
61.02821	3.7
61.03166	1.1
62.37568	0.4
65.03841	0.5
67.05393	5.1
67.05782	1.1
68.32949	0.4
68.82030	0.4
69.03324	3.2
69.03725	1.0
69.06964	1.3
69.07299	0.5
70.61243	0.5
71.04882	1.4
73.02800	2.5
79.05370	2.5
81.03288	3.1
81.03794	0.9
81.06928	3.4
83.04887	0.9
83.08537	0.8
83.08949	0.5
83.12346	0.5
85.02779	5.8
87.04353	0.5
91.03822	3.3
91.05354	3.1
93.06918	1.4
95.04841	1.5
95.08467	1.9
97.02757	4.5
97.10037	0.5
98.97552	0.5
99.04340	1.6
101.02235	2.0
105.07009	3.5
107.04843	1.0
107.08467	1.6
107.62689	0.5
109.02733	1.2
109.06400	0.5
109.10006	6.0
111.08001	1.0
117.06957	0.9
118.49689	0.4
119.08424	2.6
121.06361	0.6
121.09988	1.7
121.10788	0.5
123.04351	0.8
123.07965	0.8
123.11585	0.4
127.03752	1.9
129.06889	1.0
133.06425	0.6
133.10138	2.5
135.11580	0.9
137.05862	1.0
139.03741	0.9
145.04904	0.5
145.09990	1.2
147.07909	0.5
147.11533	0.7
149.09497	0.9
151.07483	0.5
155.10544	0.7
157.10013	0.8
161.09457	1.5
163.03767	0.9
163.11018	1.3
167.06897	0.6
173.11795	2.2
175.07494	0.6
175.11174	0.8
175.74049	0.4
177.05371	0.5
185.04076	0.8
188.74876	0.5
189.08942	1.1
189.55286	0.5
193.12057	1.9
195.09785	1.3
199.05714	0.5
203.05168	0.5
207.10027	0.8
211.13217	0.9
219.10126	0.4
229.14180	1.8
243.08347	2.4
251.12366	1.9
267.15747	0.6
301.08820	0.6
303.04834	1.0
307.15149	0.8
413.17850	11.7
436.81833	0.5
467.18900	0.5
469.20432	13.7
479.25745	0.7
641.31409	100.0
642.31781	3.4
667.32886	2.8
681.31232	0.9
685.34015	2.2
713.33179	1.9
731.34393	27.4
732.34698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	1.3
54.32504	0.8
55.05456	1.1
57.03364	2.6
61.02847	4.7
61.03183	1.3
67.05416	6.8
67.05801	0.9
69.03341	4.2
69.06984	2.0
69.07310	0.7
70.63484	0.5
71.04934	1.0
73.02826	4.0
79.05401	3.5
81.03322	5.6
81.06956	4.2
83.04903	1.5
83.08530	2.3
85.02807	9.4
91.03853	4.7
91.05380	5.8
93.06950	4.7
95.04864	2.7
95.08496	2.4
97.02896	5.8
97.06461	1.6
97.10094	1.3
99.04343	2.4
101.02261	1.9
105.07048	4.6
107.04896	0.9
107.08497	3.2
107.09164	1.0
109.02773	2.3
109.06421	1.7
109.10167	6.0
111.04322	0.8
111.08020	1.0
115.03845	0.8
115.05353	0.8
117.06947	0.9
119.04861	0.9
119.08598	3.9
121.06421	1.7
121.10032	3.0
123.04299	1.0
123.07923	0.9
125.09512	1.0
127.03925	3.9
127.11065	0.6
129.05469	1.0
129.06891	1.1
131.04857	1.5
131.08461	1.5
133.10091	3.6
135.07985	0.7
135.11551	1.8
137.06003	6.2
137.09581	1.7
139.03773	2.0
145.04915	0.7
145.10040	1.6
147.04311	0.8
147.08044	1.2
147.11574	2.3
149.09538	1.5
151.03912	1.3
151.07480	1.4
151.11101	1.0
153.01799	0.6
155.10583	0.8
157.10048	0.9
159.11642	0.9
161.05882	0.8
161.09499	2.6
163.03882	1.5
163.07507	1.4
163.11069	2.0
165.09070	1.5
167.06950	1.5
173.11604	2.6
175.07510	0.9
175.11118	0.7
179.10533	1.2
181.04778	0.7
185.04095	2.4
185.13164	0.8
187.03729	0.7
189.08969	1.5
193.12123	1.9
207.10042	2.6
211.13177	0.8
215.06857	0.6
219.10118	0.9
225.11151	1.2
229.14313	1.5
243.08430	3.5
251.12440	2.6
267.09134	0.7
269.13461	2.0
295.15125	1.1
301.08997	6.9
315.10309	1.2
351.14548	1.1
367.17230	1.5
373.11288	3.3
383.16705	0.9
385.18359	4.2
387.12744	0.7
394.19287	0.8
413.17880	13.6
429.17166	2.2
439.19452	3.5
443.18906	2.6
457.20511	1.0
467.19034	0.7
469.20526	14.3
470.21167	0.8
473.20178	0.9
487.21362	5.1
499.21240	0.8
502.19720	0.8
559.23529	2.8
573.25275	1.4
629.31531	1.9
641.31476	100.0
642.32117	3.0
667.33075	22.5
685.34186	2.0
713.33716	3.2
731.34528	66.9
732.34821	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	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25676	0.3
53.03959	0.6
55.05507	1.1
57.03445	2.3
57.07081	1.0
57.35841	0.4
61.02935	4.5
65.03931	0.4
67.05511	6.3
69.03436	2.1
69.07071	1.6
70.16886	1.3
71.04999	0.8
71.08630	0.8
73.02927	3.6
79.05497	2.8
81.03400	1.8
81.07069	5.9
83.08625	1.2
84.48035	0.4
85.02906	4.7
91.03957	3.0
91.05486	2.3
93.07060	4.9
95.05009	0.7
95.08623	3.7
97.02898	4.5
97.06530	0.7
99.04502	0.6
101.02390	1.9
105.07031	1.4
107.08614	2.9
109.02907	0.8
109.06494	0.4
109.10171	1.4
111.08154	0.4
112.03752	0.3
114.54971	0.3
117.07050	0.5
119.08595	1.2
121.10175	2.1
123.11736	0.7
127.03937	1.3
131.08624	1.0
133.10173	1.0
135.11693	1.3
138.44688	0.3
143.89636	0.3
145.04974	0.5
145.48883	0.3
149.13274	2.0
159.11713	0.9
161.13358	0.7
162.64671	0.4
185.04332	0.5
195.13765	0.5
203.18015	1.2
235.13136	1.2
243.08461	1.7
270.27933	3.0
271.28226	0.4
291.15735	0.6
425.38123	0.7
453.20996	7.5
519.29456	5.1
633.73193	0.4
731.43445	100.0
732.44153	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	731.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01871	0.4
55.05511	1.5
57.03444	1.8
61.02932	5.5
67.05512	4.9
69.03441	3.2
69.07073	1.2
69.54971	0.3
70.16649	1.4
71.01365	0.4
73.02923	3.8
79.05503	3.1
81.03423	1.5
81.07068	6.0
83.04951	0.4
83.08634	1.3
85.02913	4.5
85.06535	0.3
87.04503	0.3
91.03965	3.6
91.05494	1.6
93.07048	3.9
95.08600	2.8
97.02914	3.7
97.10185	0.6
99.04476	1.1
101.02403	1.5
105.07066	1.1
107.08620	2.5
109.02896	0.9
109.09437	0.3
109.10168	1.1
111.08099	0.4
115.03993	0.4
117.07041	0.6
119.08611	0.5
121.10181	1.8
123.11688	0.4
127.03955	1.8
131.08641	0.4
133.10173	0.7
134.14383	0.3
135.11711	0.7
147.11734	0.4
149.13229	0.7
159.11739	0.3
184.07362	0.4
185.04248	1.0
195.13832	0.4
203.05357	0.6
235.13106	1.2
243.08385	2.1
263.63641	0.3
275.91415	0.3
281.12857	0.3
335.25687	0.4
335.43634	0.4
453.20953	4.2
519.29340	7.0
531.74750	0.4
549.50427	0.4
712.55426	0.4
731.43451	100.0
732.43896	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	732.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41399	0.1
56.05039	0.7
58.06620	0.4
59.07378	0.1
60.08163	5.6
61.11451	0.1
64.92225	0.1
67.05486	0.4
69.07059	0.2
70.06586	0.1
71.07375	3.3
79.05499	0.1
81.07046	0.2
83.08618	0.1
86.09705	29.0
87.10047	0.1
89.06035	0.4
91.05492	0.2
93.07039	0.3
95.08586	0.2
98.20695	0.2
98.98462	3.1
104.10738	2.1
121.10177	0.2
125.00003	19.1
127.32453	0.1
133.08614	0.2
143.01051	0.3
166.02766	0.1
184.07335	100.0
185.07793	0.6
260.81357	0.1
468.23566	0.2
470.94556	0.1
547.33728	0.1
587.71155	0.1
732.48077	7.3
733.48267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05027	0.6
57.03419	0.2
58.06367	0.2
58.06621	0.4
59.07404	0.2
60.08166	6.0
67.05498	0.5
69.07051	0.2
71.07378	3.1
81.03409	0.3
81.07060	0.6
83.08630	0.3
86.09711	30.9
89.06010	0.2
91.05470	0.2
93.07060	0.3
94.59336	0.2
95.08614	0.5
98.98480	2.7
104.10748	2.3
104.11418	0.3
109.10080	0.2
125.00013	20.0
140.71275	0.2
155.16154	0.2
184.07352	100.0
184.64230	0.2
185.07669	0.5
267.16037	0.3
311.25845	0.3
327.26141	0.2
331.73294	0.2
334.51517	0.2
522.35492	0.4
586.60895	0.2
732.48157	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	733.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.4
57.03426	2.2
57.07073	1.1
60.08154	1.0
62.54074	0.8
67.05521	6.4
69.03426	1.4
69.07070	4.6
71.04965	0.9
79.05485	3.8
81.03423	9.2
81.07046	6.5
82.03741	1.0
83.04961	1.5
83.08644	4.6
85.02901	3.6
86.09708	4.3
91.05483	4.5
92.17631	0.8
93.07037	4.1
95.04969	2.8
95.08611	5.1
97.02879	1.4
97.10176	1.6
105.07056	1.3
107.08559	2.0
109.10124	1.1
111.08096	1.3
119.08579	2.0
121.10156	2.9
124.99983	2.9
128.60112	0.8
129.07040	1.1
132.08865	0.8
133.10162	1.1
135.11769	1.3
145.49861	0.9
147.11661	1.4
157.10237	1.1
175.11246	1.4
184.07359	14.3
185.07700	2.1
193.12254	5.1
194.12683	1.2
211.13322	7.7
212.13675	3.7
229.52725	0.9
267.15964	2.9
268.16272	1.6
285.17020	8.2
286.17337	3.6
296.78189	0.9
323.30182	0.8
325.27399	7.3
326.27652	5.9
414.51498	0.9
518.39148	2.5
535.26440	1.4
535.39771	3.1
536.40210	14.3
602.56866	0.9
659.31580	1.0
733.39038	100.0
734.39471	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	733.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01879	0.5
55.05510	1.8
57.03431	1.2
57.07081	0.7
58.17306	0.4
61.02679	0.5
61.02938	4.7
67.05506	4.4
69.03429	2.7
69.07069	1.2
69.48961	2.8
71.01373	0.5
71.05005	0.9
73.02915	3.4
79.05495	4.7
81.03423	1.9
81.07054	3.0
83.04992	0.7
83.08621	0.5
85.02909	4.7
85.06553	0.5
91.03962	3.4
91.05473	3.6
93.07038	5.3
95.04951	0.7
95.08609	2.0
97.02901	3.2
97.06549	1.0
97.10157	0.9
98.20757	0.9
99.04456	1.1
101.02384	1.9
105.07043	2.6
107.04919	0.4
107.08607	3.2
109.02889	1.1
109.10182	1.1
111.04408	0.5
117.07042	1.0
119.08581	2.1
121.10174	0.9
125.09636	0.4
127.03946	1.5
131.08614	0.9
133.10165	1.3
135.11713	4.4
139.03960	0.4
145.04936	0.4
145.10104	0.9
147.11696	1.3
149.13324	0.4
163.11186	0.7
177.05649	0.4
181.12247	0.7
185.04312	1.0
207.63281	0.5
221.11592	1.6
243.08397	3.0
259.20642	0.6
277.14322	0.5
301.09048	1.2
315.10733	0.8
373.11093	0.7
429.17349	1.0
439.19412	9.7
459.64532	0.8
460.96716	0.4
465.21246	0.8
511.21686	1.1
525.22620	0.4
535.28906	6.0
539.23853	0.6
553.26422	0.5
595.31030	0.5
733.41333	100.0
734.41461	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	736.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.1
55.05505	18.4
55.95887	5.1
57.03435	11.0
57.43558	5.1
58.94394	4.5
67.05512	27.1
69.03419	10.4
69.07072	8.0
69.16425	13.1
69.16827	37.0
74.18784	4.1
79.05486	20.3
81.03421	38.2
81.07076	23.1
83.04996	13.0
83.08620	18.2
85.02918	13.4
91.05499	20.1
93.07049	22.3
95.04990	25.1
95.08602	11.5
97.02882	5.5
97.06544	7.3
97.10176	7.7
105.07035	18.5
107.04956	8.8
107.08604	14.9
109.06480	6.6
109.10160	16.0
110.90037	5.2
111.08107	7.4
117.06918	4.8
119.08569	18.7
121.10143	8.4
125.09634	11.4
129.05478	6.9
129.06987	8.2
131.08598	9.8
133.10139	17.7
135.07999	5.2
147.11670	11.7
157.08716	5.2
157.10156	10.6
175.11208	12.8
189.11116	5.2
193.12228	46.8
199.13332	12.6
209.11786	8.8
211.13290	97.7
227.12819	12.4
229.14397	6.2
267.08612	5.4
267.15884	33.4
283.15451	13.7
285.17001	100.0
301.16464	89.4
302.16965	6.2
425.65451	4.7
439.27017	19.7
459.27505	6.5
461.28632	4.8
476.27567	5.8
477.28577	6.9
493.27698	26.3
494.28754	9.2
511.28937	71.5
700.91882	5.5
736.41565	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.83063	0.7
55.01885	1.9
55.05276	0.7
55.05515	9.7
56.64150	0.9
57.03444	4.0
57.07058	1.7
67.05508	20.3
69.07069	11.7
69.21671	3.3
69.22103	4.3
71.04978	0.8
74.09724	1.1
79.05497	10.6
81.06593	1.2
81.07059	19.0
83.04981	0.8
83.08624	4.7
85.05286	2.8
89.18292	0.8
91.05479	10.5
93.06507	0.9
93.07050	12.3
95.08613	14.1
97.06539	0.8
97.10165	2.9
98.06059	17.0
105.07041	9.4
107.08601	6.4
109.10168	4.6
110.09654	1.0
112.07623	2.2
117.07036	1.6
118.97486	0.9
119.08611	6.1
121.10128	3.5
123.11674	1.7
124.07587	1.2
124.11261	0.9
131.08557	2.2
133.10136	4.7
135.11691	2.3
138.09158	1.5
140.10736	1.1
145.10114	1.8
147.11668	2.7
149.13216	1.2
154.12254	1.8
157.10037	0.8
159.11708	1.8
161.13258	1.5
170.60861	0.7
171.11635	1.6
173.13354	1.0
175.14868	1.2
180.13823	0.9
185.13316	1.3
191.97852	0.8
210.18770	0.8
217.19574	2.1
222.18428	1.1
241.19521	1.8
267.38693	0.8
302.24792	44.8
304.26349	1.0
306.27924	100.0
307.28421	2.4
313.27414	1.1
320.25809	8.4
333.24240	15.3
337.27371	29.1
400.22556	4.1
638.32239	0.8
638.51831	1.3
684.63354	0.9
736.49609	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.9
55.01875	21.0
55.05277	3.3
55.05518	50.0
55.19529	2.8
57.03452	18.9
57.07107	3.0
59.04995	4.8
61.02937	3.7
65.03915	5.3
67.05511	74.9
69.03434	33.0
69.07073	37.4
69.24014	28.8
71.05003	16.0
73.02905	4.3
79.05067	4.8
79.05503	76.3
81.03428	100.0
81.06591	4.2
81.07066	85.5
83.04990	33.0
83.08637	33.3
85.02910	26.1
85.06544	7.1
91.05494	67.2
92.05837	3.4
93.07059	62.7
93.63078	2.6
95.01308	3.8
95.04982	39.7
95.08618	37.3
97.02901	27.5
97.06543	16.5
97.07083	2.8
97.10181	34.7
98.19395	2.7
99.04438	3.2
99.08104	4.5
105.06406	4.2
105.07050	55.3
107.04969	24.0
107.08609	46.1
108.86887	2.9
109.02861	16.5
109.06524	11.2
109.10156	23.8
111.04443	15.6
111.08067	13.5
115.05449	7.0
117.07034	24.5
119.07805	4.4
119.08601	48.4
121.06504	10.2
121.10162	24.5
123.08066	16.7
123.11677	6.2
125.09626	26.1
127.03917	13.8
129.05489	5.0
129.07005	20.0
129.78052	2.8
131.08578	32.4
133.06490	9.5
133.10150	27.3
135.08067	11.4
135.11684	12.8
137.09644	11.6
142.07777	5.2
143.08551	7.9
145.06532	3.9
145.10199	19.5
147.08072	16.1
147.11690	25.5
149.09625	18.9
151.11227	3.7
153.09177	4.9
153.12703	4.7
155.08527	4.5
157.10141	21.2
159.08092	6.1
159.11722	10.5
161.09650	8.8
161.13293	4.0
163.11258	14.1
165.12788	5.7
169.10123	4.0
171.11691	4.7
173.04510	5.3
173.09625	4.6
173.13216	4.9
175.05943	3.0
175.11191	17.8
177.12778	4.8
181.12177	4.1
185.13249	3.2
187.11296	4.5
189.11253	12.5
189.12807	3.6
191.10606	4.6
193.12247	30.9
209.11629	5.3
211.13283	47.8
211.15045	5.0
223.13268	11.4
227.12823	31.5
229.14203	3.5
245.19202	2.9
249.14896	5.6
267.15878	27.5
273.15585	3.8
273.18570	29.0
275.20163	23.2
283.15411	25.5
285.17035	19.4
291.19589	79.2
301.14224	3.4
311.72565	3.2
347.22247	11.1
349.02942	3.0
349.23785	9.9
365.23260	39.8
385.23752	3.2
429.21353	18.3
453.24875	3.6
459.27277	5.2
465.30145	3.6
477.28293	12.9
483.31342	4.4
495.29190	6.1
509.27768	3.0
527.37842	3.8
528.37347	10.6
539.33673	10.4
557.34766	70.2
575.35858	51.7
621.32501	6.6
701.38647	5.3
719.40308	47.3
737.40063	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	16.0
55.01877	21.4
55.05264	3.1
55.05515	46.0
57.03448	18.1
57.07072	4.7
59.78185	2.1
61.02909	6.4
62.21041	2.4
63.08614	2.0
64.34180	2.2
65.03931	9.0
67.05514	100.0
69.03094	2.2
69.03439	30.5
69.06740	2.6
69.07079	35.3
70.13834	6.8
70.14246	3.8
71.01347	4.8
71.05003	13.2
71.70879	2.3
73.02909	6.1
73.18671	2.0
73.47016	2.0
77.03898	2.0
79.05074	4.2
79.05502	67.8
79.49370	2.0
81.03427	92.0
81.07067	80.2
83.04990	37.2
83.08634	28.1
85.02912	29.4
85.06551	4.7
87.04502	3.2
91.03963	4.3
91.05489	66.3
91.40485	2.2
93.07057	63.3
95.04977	38.2
95.08617	50.9
95.09191	1.6
97.02908	32.0
97.06531	23.3
97.10186	14.2
98.21521	2.4
99.04473	9.4
99.08108	4.5
103.03955	2.2
103.05499	3.1
104.76917	2.2
105.04543	2.1
105.07043	51.4
107.04966	24.9
107.08604	35.4
109.02895	16.3
109.06525	12.7
109.10169	37.3
111.04472	14.5
111.08098	14.2
113.05990	3.3
115.05448	5.0
117.07036	18.7
119.08597	37.6
121.06538	14.5
121.10149	25.0
123.08092	15.4
123.11745	11.3
125.09647	15.0
127.03948	18.0
128.06157	4.8
129.05498	7.5
129.07025	25.1
131.04999	2.2
131.08572	29.7
133.06493	8.2
133.10147	32.2
134.10670	3.2
135.08060	14.8
135.11697	12.3
137.09598	11.3
139.11107	2.8
141.06973	5.2
142.07750	4.6
143.08609	13.1
145.04930	2.8
145.06468	5.1
145.10159	25.6
147.08086	12.2
147.11694	21.6
149.09647	17.2
149.13206	4.6
151.07448	3.1
151.11201	5.6
155.08577	6.3
155.10634	3.2
157.10161	18.3
159.08034	5.5
159.11693	10.1
161.09647	5.2
161.13248	5.0
163.11201	14.2
165.09125	3.7
165.12743	4.3
169.10098	7.4
171.08052	2.5
171.10374	2.7
171.11732	9.0
173.04456	11.0
173.09639	6.3
173.11871	4.4
173.13289	6.3
175.11179	13.7
177.12717	5.6
179.14389	2.6
181.10057	2.3
183.11681	3.8
185.09679	3.7
185.13266	5.6
185.14891	2.2
187.11172	4.9
189.11197	5.5
189.12767	3.6
191.10663	5.1
193.12254	25.9
197.13300	2.4
203.14278	2.6
205.12274	2.8
211.13332	31.1
213.16411	3.3
217.12247	3.5
227.12598	12.7
229.12335	3.4
229.14348	18.2
233.11632	3.2
235.13330	3.1
243.15883	5.4
245.19096	3.6
247.20535	4.4
255.17546	3.6
257.18930	5.4
267.09052	5.6
267.15909	19.8
269.17413	3.3
273.15573	3.7
273.18460	24.5
275.20074	21.9
283.15527	4.8
285.10126	6.3
285.17014	15.8
289.18073	3.1
291.19470	20.8
301.16605	5.5
309.20529	3.6
315.23041	2.7
329.21164	4.0
331.22766	2.2
346.04520	2.4
347.22256	12.8
349.23810	6.3
365.23401	14.2
396.19739	2.5
421.26047	3.5
429.21292	5.1
435.27835	3.4
439.26865	9.9
453.28473	5.2
477.28748	3.5
503.33597	6.5
525.35565	4.9
539.33356	5.4
543.36469	10.5
557.34723	27.9
575.35638	18.2
683.37744	3.5
701.38562	8.6
719.40308	19.2
737.40784	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	737.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.2
54.73714	3.1
55.01864	16.1
55.05276	3.1
55.05513	37.7
57.03442	21.3
57.07070	3.5
61.02939	20.3
65.03932	4.5
67.05504	90.8
69.03432	29.5
69.07066	30.8
71.05013	16.8
71.52608	7.3
73.02909	11.5
79.05082	5.1
79.05499	74.9
80.20564	4.0
81.03419	73.1
81.07057	90.7
83.04982	25.6
83.08616	27.7
85.02905	31.3
85.06516	8.2
91.03944	9.1
91.05486	83.8
93.07044	73.7
95.04958	27.6
95.08610	55.7
97.02892	26.7
97.06568	17.0
97.10171	17.0
99.04442	8.6
99.08112	6.7
101.02392	3.4
105.07041	67.3
107.04961	18.4
107.08603	44.0
109.02876	12.7
109.06516	16.3
109.10174	38.6
111.04448	9.7
111.08086	12.8
115.05452	4.1
117.07018	33.3
119.08565	45.4
121.06493	14.7
121.10137	33.4
123.04449	9.0
123.08063	10.6
123.11698	10.6
125.09614	17.4
127.03911	7.3
128.06258	6.2
129.05504	4.9
129.07011	34.3
131.08566	53.0
133.06502	7.3
133.10143	43.0
135.08035	11.5
135.11674	17.1
137.09608	4.9
141.06961	7.2
142.07809	6.3
143.08543	24.4
144.09312	3.7
145.06464	5.5
145.10129	39.9
147.08015	11.4
147.11682	20.6
149.09601	18.0
149.13271	4.0
150.13466	3.8
151.11182	11.6
153.09158	3.7
155.08539	11.0
157.10149	30.0
159.07982	3.6
159.11699	21.9
161.09605	12.6
161.13264	6.7
163.11192	6.9
165.12735	6.1
167.08572	5.9
169.10161	17.9
171.11635	20.9
173.04457	5.0
173.09599	8.5
173.13252	10.3
175.11192	12.6
177.09152	4.1
177.12679	4.9
177.16269	3.8
181.10107	5.0
183.11665	13.3
185.13208	9.8
187.11250	4.8
187.14781	6.7
189.11180	6.3
189.12700	5.9
191.10754	4.8
193.10204	5.0
193.12234	22.8
195.11703	9.9
197.13286	9.3
199.11137	5.1
199.13179	3.4
199.14845	4.6
203.14291	4.6
205.12111	3.8
209.13272	8.6
211.13251	29.1
211.14903	5.0
214.75108	3.8
217.15903	3.8
221.13371	4.3
223.14790	4.6
227.12808	12.6
245.18848	3.7
253.14308	13.9
267.15967	17.3
271.77655	4.3
273.18552	29.2
275.19992	7.5
285.16928	9.4
285.22058	3.8
291.19553	40.4
297.22110	4.1
299.23532	5.2
319.41876	3.3
347.22098	10.8
365.23203	32.9
421.25522	4.2
429.21039	9.5
433.30930	12.8
442.33527	3.4
443.27945	4.9
451.31830	14.3
461.28702	6.9
468.70767	3.8
469.33020	6.4
471.31384	3.5
477.28201	3.9
506.60251	4.0
507.35098	7.3
517.35083	12.7
525.35760	68.1
539.36798	3.5
543.36859	100.0
557.36328	19.9
575.38062	26.5
705.41577	4.7
719.39526	21.2
737.44275	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	738.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.7
53.03944	4.0
55.01875	4.0
55.05523	17.3
56.59690	1.2
57.03439	14.0
57.99620	1.4
59.05011	3.2
61.02932	2.7
65.03937	2.0
67.05511	22.3
69.03419	6.6
69.07056	4.7
70.06618	1.4
71.04987	3.9
71.53497	2.2
73.02927	2.1
73.11504	1.2
79.05501	20.2
81.03424	80.5
81.07072	24.1
83.04983	7.1
83.08629	21.4
85.02914	9.0
85.06553	2.5
91.05489	29.3
93.07048	22.3
95.04978	24.3
95.08607	10.7
97.02905	7.3
97.06529	6.1
97.10180	6.7
99.00831	11.4
99.04456	1.7
104.47199	1.3
105.07042	25.4
107.04962	11.6
107.08588	14.9
109.02907	10.0
109.06516	5.8
109.10158	8.9
109.67812	1.3
111.04453	3.9
111.08092	8.0
113.06006	1.8
115.03928	2.4
117.07024	4.0
119.04903	2.3
119.08592	22.3
121.06519	9.7
121.10158	7.2
123.04473	3.4
123.08102	1.9
123.11730	3.4
125.09618	6.6
127.03914	3.2
129.07040	9.2
131.08614	8.0
133.06516	4.0
133.10155	28.1
135.08060	3.3
135.11700	4.8
137.05986	2.5
137.09642	4.7
142.07785	2.1
143.08569	5.8
145.10095	4.0
147.08009	3.5
147.11725	8.9
149.09610	6.0
151.11217	9.5
153.09077	2.4
157.10165	11.2
159.08136	1.7
161.09639	15.7
161.82159	1.4
163.11191	3.8
165.09152	1.8
171.08069	5.7
173.13243	1.5
175.11176	10.0
179.10669	7.1
189.09126	7.2
189.11172	3.5
193.12263	25.1
197.11734	4.2
205.12230	1.6
211.11546	1.4
211.13245	7.3
213.12770	1.5
219.13826	7.3
225.11288	10.3
227.12675	3.7
249.14874	4.2
267.15945	100.0
268.16330	3.0
281.13843	3.9
283.15439	3.2
285.10040	2.4
285.17093	6.8
299.14926	54.4
299.18317	3.9
301.14087	1.8
335.19937	1.7
385.23660	4.9
399.21631	1.8
417.22302	1.7
433.25598	1.8
441.26315	1.8
445.25781	11.8
459.27512	18.4
463.26917	6.6
473.25430	28.1
474.25427	2.1
477.28537	16.2
491.26419	94.6
492.27103	3.5
509.27521	5.2
517.15552	1.7
599.28735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01876	10.2
55.05515	36.6
57.03442	21.8
59.04708	1.9
59.05006	39.2
59.92579	0.7
60.46620	0.9
61.02930	5.2
64.63139	0.9
65.03938	2.1
67.05508	68.2
69.03438	7.1
69.07073	7.3
69.76570	3.1
71.01344	2.4
71.04996	12.9
73.02908	3.3
77.10115	0.7
79.05499	33.5
81.03425	24.4
81.07060	29.8
82.07392	1.0
83.01350	7.6
83.04987	14.2
83.08630	20.7
83.09118	1.8
85.02908	14.2
85.06532	3.2
87.04475	49.3
88.19176	0.8
88.33307	0.9
91.03965	1.7
91.05489	21.5
93.07050	29.1
94.07410	1.0
95.04977	10.1
95.08607	13.6
97.02912	7.2
97.06542	6.5
97.10180	15.9
99.04459	17.7
99.08079	1.2
101.02338	1.2
101.05993	1.6
105.04465	0.9
105.07037	11.5
106.70944	0.9
107.04969	10.2
107.08595	18.0
107.92942	1.0
109.02888	1.5
109.06519	8.6
109.10162	51.1
111.04465	6.1
111.08109	4.5
115.03940	0.9
116.26132	0.7
117.07030	7.6
119.07797	1.3
119.08591	15.7
121.06572	4.4
121.10171	9.8
123.04430	1.4
123.08068	8.4
125.05989	1.9
125.09632	11.2
127.03893	1.8
128.06184	1.4
129.05431	1.1
129.07004	2.7
130.07805	2.6
131.08582	6.1
133.10114	4.3
135.08049	2.6
135.11696	12.1
137.09653	4.2
138.25812	0.8
139.03871	0.9
139.07484	1.0
143.08554	1.6
143.10646	2.0
143.24696	0.8
145.06456	1.8
145.10132	16.0
147.08043	2.7
147.11696	2.1
149.09599	1.5
151.11133	1.2
153.09106	0.9
153.12761	3.5
155.08629	1.0
155.10677	3.2
157.10149	2.7
159.11903	0.9
163.11191	23.7
165.09059	1.0
173.09610	3.8
173.11781	16.5
173.13203	1.2
175.11169	1.8
181.12210	5.8
187.14754	1.4
189.11316	0.8
191.10699	4.2
193.12253	4.8
194.12485	0.9
197.13335	1.0
199.13289	10.7
209.11719	10.6
211.13345	3.5
223.13283	1.4
227.12819	10.0
228.19923	0.8
229.14365	55.0
241.14282	4.7
250.14487	0.9
257.13770	2.3
265.14389	1.5
267.15924	10.7
283.15417	84.7
284.15750	1.9
285.16891	1.4
302.21017	0.9
311.14874	5.9
315.18005	7.8
407.24216	5.3
425.25391	18.6
433.25693	1.8
437.25378	100.0
438.25732	2.4
441.26489	1.0
459.27301	6.1
477.28506	4.1
523.28876	3.2
541.29810	3.6
564.15363	0.9
576.35596	1.3
738.38068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85243	0.1
54.90215	0.1
55.05498	0.2
56.05035	0.6
57.03446	0.2
57.07082	0.7
58.06360	0.2
58.06636	0.4
60.08167	5.9
65.84859	0.1
67.05517	0.4
69.07071	0.2
69.26031	1.1
70.06586	0.1
71.07374	3.2
71.08652	0.4
79.05511	0.2
81.03422	1.2
81.07043	0.3
82.73037	0.1
83.08624	0.3
85.10191	0.3
86.09709	29.6
91.05486	0.3
93.07032	0.2
95.04967	0.3
95.08603	0.6
97.02872	0.1
97.10179	0.2
98.98471	3.1
104.10751	2.3
105.07025	0.3
109.10162	0.2
118.72247	0.1
119.08616	0.3
121.10147	0.2
125.00011	19.8
138.87070	0.1
143.01048	0.2
147.11697	0.2
149.09581	0.1
166.02618	0.1
175.11314	0.2
184.07347	100.0
185.07692	0.4
193.12239	0.5
203.07967	0.1
234.72241	0.1
267.15927	1.8
271.04263	0.1
313.27411	1.6
496.33377	0.1
505.38864	1.5
688.45490	10.5
689.45477	0.4
718.21387	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.7
55.01880	15.1
55.05520	32.4
57.03441	20.8
57.07084	3.3
61.02919	9.5
61.03220	2.8
65.03949	6.6
67.05175	5.2
67.05514	69.0
68.05840	3.1
69.03448	20.5
69.07072	25.4
71.01374	3.7
71.04990	9.5
71.53606	4.9
73.02925	4.7
79.05504	61.0
81.03429	100.0
81.07066	91.1
82.03726	2.7
82.60738	2.8
83.05000	28.9
83.08616	29.0
85.02917	30.3
85.06548	7.1
89.39933	2.8
91.03945	4.1
91.05495	74.8
92.05812	2.9
92.33958	3.1
93.07054	62.9
94.07381	2.7
95.04981	36.0
95.08624	35.1
96.08917	3.1
97.02881	21.7
97.06541	23.3
97.10194	17.1
99.04460	9.1
99.08144	4.2
105.04534	3.9
105.07042	59.5
107.04973	21.7
107.08601	41.0
109.02903	8.9
109.06539	7.7
109.10152	18.4
111.04449	7.2
111.08114	14.6
113.06001	4.7
115.05473	5.0
117.07038	20.7
119.08591	56.9
120.08914	3.1
121.06535	8.5
121.10136	20.7
123.08071	6.6
123.11726	9.0
125.09659	12.5
127.03930	9.1
129.05504	4.1
129.07037	19.6
131.08578	35.1
133.06560	3.6
133.10156	37.2
135.08083	8.5
135.11739	11.6
137.09586	6.6
141.07007	4.3
143.08543	8.8
145.10152	20.6
147.08049	7.4
147.11710	32.6
149.09619	18.6
149.13290	8.6
151.11208	4.6
153.12785	3.7
155.08589	4.2
157.10162	21.1
159.11731	11.9
161.09695	3.6
161.13255	5.0
163.11215	11.9
165.12802	8.4
168.67349	3.0
169.10179	4.5
171.11708	4.6
173.04478	11.4
173.11905	3.3
173.13304	6.4
175.11224	15.7
177.12837	4.4
183.11742	5.4
187.14821	4.7
189.11264	4.9
191.10687	3.5
193.12268	41.7
195.13805	8.7
211.13301	52.2
227.12712	16.5
229.14328	4.6
257.19116	11.2
267.15945	32.0
269.17590	7.6
275.20096	48.4
283.15613	4.1
284.16022	3.2
285.16971	42.1
293.21167	7.0
317.21002	3.3
330.14911	3.0
331.22781	3.0
349.23743	42.0
367.24701	4.7
423.27798	4.0
424.27707	8.7
429.21332	8.6
443.28128	3.6
461.29025	11.8
467.31427	3.2
479.30157	33.6
541.35535	21.5
542.53839	3.5
559.36334	49.4
577.37256	22.6
623.34106	18.9
703.40015	7.1
721.41614	5.9
739.38226	3.8
755.22461	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	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.1
55.01865	11.2
55.05526	24.9
57.03445	18.5
61.02924	4.1
66.80827	3.5
67.05510	67.3
69.03445	25.0
69.07086	19.8
69.83344	8.1
69.83749	13.1
71.04996	9.1
73.02940	4.5
79.05507	57.6
80.05856	4.3
81.03426	100.0
81.07068	78.7
83.05000	29.1
83.08631	29.7
85.02908	24.5
85.06549	5.1
85.84029	3.4
91.05501	58.8
93.07058	50.1
95.04995	35.9
95.08624	29.8
97.02914	20.1
97.06528	16.8
97.10153	12.0
105.07050	61.5
107.04949	19.3
107.08612	36.0
109.02888	9.9
109.06526	9.2
109.10185	21.9
111.04462	6.5
111.08081	16.1
113.06020	4.8
115.05481	3.8
117.07010	14.9
119.08597	34.8
121.06476	6.9
121.10162	18.2
123.08056	10.1
123.11737	4.9
125.09637	7.5
127.03873	9.1
129.05524	8.0
129.07013	19.9
131.08600	26.2
133.06525	5.3
133.10144	32.1
135.08058	7.0
135.11705	10.2
143.08603	4.6
145.10138	17.4
147.08003	6.3
147.11668	25.8
149.09628	10.7
149.13277	8.3
151.11145	5.8
157.10165	20.8
159.08087	5.5
159.11700	11.3
161.13164	4.3
163.11182	7.0
165.12759	6.2
170.62534	4.0
173.04465	13.1
173.13330	6.7
175.11197	14.0
177.12715	3.8
193.12247	34.8
211.13319	40.3
227.12801	4.3
253.14424	7.8
257.18887	5.4
267.16019	31.3
269.17484	10.4
275.20108	32.6
285.16986	41.3
293.21057	5.8
349.23773	18.5
413.21854	8.5
429.21027	9.6
461.29138	22.4
479.30228	43.2
541.35583	18.5
555.46863	4.4
559.36694	23.2
577.37115	16.4
623.34570	23.0
721.41357	7.9
739.37854	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	740.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01872	7.6
55.05512	36.8
57.03438	26.8
57.07043	1.2
59.05002	37.4
61.02932	4.6
65.03926	3.8
67.05504	100.0
69.03432	9.1
69.06728	1.1
69.07061	12.8
69.47603	4.0
69.48017	1.7
71.01369	1.2
71.04646	1.4
71.04993	17.2
71.19524	1.1
73.02900	2.5
79.05493	43.1
81.03418	71.9
81.07055	48.3
81.25977	1.0
83.04978	25.5
83.08617	32.3
83.60509	0.9
84.85909	1.0
85.02907	26.3
85.06541	4.0
87.04468	40.5
91.03936	2.1
91.05479	48.8
93.06480	1.6
93.07043	26.0
95.04970	29.4
95.08056	1.6
95.08606	18.9
97.02885	10.0
97.06512	7.8
97.10166	20.3
99.04457	20.6
99.08083	2.6
101.06027	1.1
103.03984	1.1
105.04440	1.3
105.07030	25.8
106.07361	1.1
107.04959	14.1
107.08595	16.9
109.06521	7.9
109.10153	72.6
111.04461	6.9
111.08061	13.9
113.06004	2.0
115.03909	1.2
115.05452	1.3
116.06216	1.3
117.06998	4.7
119.08579	29.3
119.40537	0.9
121.06485	3.3
121.10143	12.2
123.04359	1.3
123.08055	3.6
123.11685	2.9
125.05909	1.0
125.09623	13.7
127.03938	1.4
127.07535	2.3
129.07010	13.6
131.08568	12.9
133.06462	4.5
133.10135	16.2
135.07994	1.5
135.11719	5.9
137.09610	5.6
142.07761	3.7
145.10130	5.9
147.08034	5.7
147.11688	15.8
149.09604	7.5
151.11160	1.0
153.12727	3.4
155.08667	1.2
155.10669	6.5
157.10124	14.3
157.12199	1.8
163.11168	6.4
165.12779	2.8
166.80478	1.0
173.09586	1.6
173.10085	1.0
173.11749	19.3
175.11180	18.3
176.20740	1.4
181.12238	3.4
189.11189	1.5
191.10690	4.3
193.12241	53.9
198.06961	1.1
199.13277	10.7
209.11757	2.6
211.13290	81.8
212.13596	1.6
217.14381	1.9
223.13271	3.0
225.14859	1.3
227.12717	8.9
229.14349	75.5
230.14716	1.3
241.14360	5.8
247.13301	1.8
249.14819	2.2
265.14307	2.2
267.15912	35.9
275.20105	1.3
283.15402	7.1
285.16931	52.3
286.17300	1.3
295.15198	1.1
301.16428	1.4
313.16483	2.7
315.18048	9.6
383.22192	2.2
391.24817	1.4
401.22751	1.2
409.25790	6.5
421.25861	26.3
427.26929	9.1
439.26901	98.8
440.27155	3.3
457.26038	1.2
475.26941	7.3
493.27859	3.9
507.29471	1.5
525.30511	8.5
543.31445	5.1
548.77216	1.0
560.35254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.1
55.01871	15.4
55.05510	24.4
57.03436	25.5
57.03706	1.9
57.07064	2.5
59.05007	1.6
61.02932	3.0
61.91913	1.2
65.03944	2.2
67.05507	42.1
69.03435	6.9
69.07066	8.3
70.91513	1.7
70.91833	1.2
71.01376	1.6
71.05013	4.8
73.02932	3.9
79.05496	33.5
81.03422	100.0
81.07061	30.3
81.07526	1.9
82.03790	1.3
82.04219	2.6
83.04986	19.6
83.08624	27.6
84.05802	1.2
85.02918	5.1
85.06552	3.8
85.59348	1.0
91.05485	31.1
91.06015	1.9
93.07048	27.1
95.04974	35.6
95.05556	2.3
95.08608	12.1
95.09106	1.3
96.05777	1.7
97.02924	7.8
97.06537	9.8
97.10186	17.6
98.07326	6.3
99.04475	2.3
99.08142	1.9
105.07036	17.5
107.04952	20.6
107.08601	17.7
109.06528	5.8
109.10172	14.9
111.04443	12.1
111.08083	14.6
113.06080	1.6
115.05462	3.1
116.04721	11.7
117.05549	3.1
117.07006	8.2
119.04899	1.7
119.08590	21.4
119.09357	1.6
121.02905	4.8
121.06469	7.3
121.10141	11.6
123.04464	2.3
123.08100	5.2
123.11723	1.5
125.09637	17.6
127.11252	1.4
128.06203	1.1
129.05507	27.2
129.06985	11.9
131.08577	14.4
131.09428	1.7
133.06526	4.9
133.10129	9.7
135.04466	4.1
135.08104	5.2
135.11688	10.9
135.57114	1.2
137.05992	1.4
137.09636	3.4
141.06985	2.3
142.07820	2.5
143.07042	7.6
143.08617	2.2
145.06490	2.1
145.10139	9.3
147.04445	2.7
147.08049	5.5
147.11699	11.9
149.09627	8.1
153.09189	3.3
153.12770	21.3
155.08585	2.8
157.08658	13.0
157.10181	14.0
158.05807	1.7
163.11179	16.3
165.12817	2.5
171.10172	7.9
173.09665	4.6
173.11792	4.5
173.13271	1.5
175.11185	13.9
175.51360	1.2
181.12221	15.8
183.11670	2.6
185.13339	1.5
189.11237	12.1
191.10651	8.8
193.12253	33.8
199.13377	4.0
200.14159	1.7
201.12827	3.5
201.14943	3.8
209.11743	9.5
211.13263	9.1
219.13884	4.0
223.13202	1.5
227.12808	37.0
227.14929	2.4
229.12216	1.4
229.14331	14.3
247.13319	29.0
249.14969	4.6
259.13391	2.5
265.14423	2.2
267.15936	83.3
283.15414	19.2
285.17050	3.3
301.16483	38.0
321.16940	11.0
339.18045	3.3
365.21011	2.2
383.22235	4.7
401.23227	3.2
406.34253	1.3
421.26376	1.3
447.27521	1.6
457.25620	2.1
458.26489	2.2
459.27267	2.2
475.26910	18.0
476.27524	3.2
493.27975	39.5
525.30829	3.1
528.15637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72435	0.3
53.03945	1.9
55.01873	2.1
55.05513	11.0
57.03440	7.9
57.07048	1.0
61.02889	1.2
65.03909	1.2
67.05507	32.0
69.03396	1.3
69.07069	9.1
70.93322	0.6
70.93666	0.4
71.04994	2.0
73.02896	1.1
73.38696	0.3
77.03919	0.5
79.05493	27.9
80.00196	0.3
81.03436	1.7
81.07056	34.3
83.01301	0.5
83.04991	2.4
83.08157	0.6
83.08620	8.7
85.02875	1.1
85.06512	1.3
91.05479	12.2
93.07044	40.3
94.14925	0.3
95.04408	0.3
95.04967	4.5
95.08607	43.5
97.02884	3.1
97.06537	3.0
97.10159	1.9
99.04473	2.1
99.08073	0.6
103.05438	0.8
105.04507	0.7
105.07030	9.3
107.04966	4.3
107.08594	22.7
108.85467	0.4
109.06491	1.4
109.10158	9.7
111.04453	0.8
111.08059	1.1
113.09602	0.5
115.05480	0.4
117.07019	8.0
119.08585	10.7
121.06519	3.7
121.10144	15.3
123.08031	1.1
123.11719	2.2
125.05969	1.5
125.09592	0.4
130.07768	1.1
131.08583	3.9
133.10117	5.8
135.08043	1.4
135.11694	34.6
137.13239	0.9
139.07539	1.0
139.11203	0.6
144.17480	0.3
145.10124	19.0
147.11687	1.9
149.09576	0.6
149.13260	2.4
153.12708	0.8
159.11705	2.2
161.13248	2.1
163.11183	40.0
163.14810	1.1
164.11577	0.4
173.09525	0.4
173.13243	1.5
181.12238	7.0
184.07259	1.6
187.14804	0.8
192.71227	0.3
198.67519	0.4
209.11595	1.9
227.12781	46.1
228.13179	0.8
233.22614	0.4
243.21060	1.9
261.22150	6.6
271.85159	0.4
283.15393	51.1
284.15756	0.8
317.24728	1.7
335.25797	100.0
336.26077	2.9
469.33188	0.4
543.36823	76.4
544.37219	3.0
665.87341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01882	7.9
55.05270	1.5
55.05517	21.3
57.03202	1.1
57.03444	14.0
57.07078	1.5
59.04990	2.0
59.99438	0.8
60.08161	1.1
61.02930	5.0
65.03939	2.1
67.05511	39.1
69.03443	2.0
69.06788	0.7
69.07079	8.2
71.05002	4.6
71.07375	0.9
73.02917	0.8
76.00368	0.8
77.34524	1.0
79.05499	35.5
81.03423	11.4
81.07065	41.7
83.01341	6.4
83.04990	9.9
83.08620	12.7
85.02906	7.5
85.06534	1.5
85.21543	0.9
86.09718	5.7
87.09990	0.8
91.03945	2.3
91.05487	21.1
91.93528	0.9
93.07051	43.6
95.04979	6.2
95.08617	29.8
97.02886	3.5
97.06545	4.5
97.10155	4.0
98.21519	1.9
99.04446	2.7
99.08134	1.0
105.07040	14.2
107.04961	5.8
107.08604	23.4
109.06527	5.9
109.10165	14.2
111.04443	1.3
111.08067	1.7
114.05157	0.8
115.66689	0.9
117.07018	9.6
119.08597	13.1
121.06538	2.9
121.10142	14.8
123.08071	8.1
123.11729	4.6
125.00008	3.8
125.05994	0.9
125.09597	2.4
129.07014	1.3
131.08554	10.3
133.10153	7.4
135.08037	2.0
135.11697	16.9
137.09599	2.4
143.08556	2.4
145.06375	1.0
145.10129	15.3
147.08022	2.1
147.11682	5.5
149.09593	1.1
149.13263	4.3
153.12801	1.8
155.08571	2.2
157.10127	0.9
159.11699	3.7
161.13261	2.5
163.11189	19.9
163.14783	1.9
171.11665	1.6
173.09627	3.0
173.13219	4.2
175.14818	1.4
177.16278	1.2
181.12268	2.4
184.07346	16.9
185.07690	4.4
185.13231	0.9
186.07848	1.4
187.14783	2.0
189.11220	2.2
191.10698	2.0
193.12224	1.7
209.11739	7.1
209.38954	0.8
211.13327	2.0
227.12764	8.5
243.21094	5.1
261.22180	11.9
267.15787	1.4
273.22061	1.1
283.15414	100.0
284.15817	1.6
299.23663	2.9
317.24722	4.9
333.24265	1.7
335.25833	72.7
336.26068	1.3
433.30673	1.7
451.32007	3.6
469.33038	2.2
525.35498	3.6
543.36884	50.1
544.37225	1.8
561.37897	2.5
690.45862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84538	1.1
53.03942	5.0
55.01872	6.2
55.05273	1.6
55.05516	20.4
56.05854	1.0
57.03181	1.8
57.03440	17.5
57.07077	2.5
59.04997	2.6
59.51619	0.9
61.02931	7.1
65.03931	2.7
67.05509	55.8
69.03425	2.2
69.07072	13.6
71.01339	1.2
71.04980	3.7
71.39339	1.4
73.02919	1.4
74.54350	1.1
79.05499	43.6
81.03423	10.0
81.07063	52.1
83.01321	7.7
83.04984	12.6
83.08627	13.8
85.02912	7.3
85.06530	1.1
86.09704	2.1
91.03952	1.9
91.04903	1.3
91.05482	25.4
93.07050	53.8
95.04975	7.8
95.08612	38.0
96.49935	1.1
97.02882	4.0
97.06525	4.1
97.10161	3.4
99.04447	2.5
105.07040	19.7
107.04962	6.8
107.08600	30.6
109.06499	4.8
109.10172	13.3
111.04403	2.9
111.08079	1.7
111.35258	1.0
115.05389	1.1
117.07021	10.1
119.08581	14.3
121.06513	5.1
121.10150	22.3
123.08092	7.3
123.11740	5.1
125.00007	2.1
125.09601	3.6
129.07037	2.5
129.51012	1.1
130.07695	1.2
131.08575	12.1
133.10130	9.2
135.07993	1.1
135.11691	18.3
143.08572	1.4
145.06586	1.3
145.10127	19.7
147.08054	2.3
147.11703	7.3
149.09607	1.6
149.13289	6.9
153.12726	3.8
155.08517	1.6
157.10146	1.3
159.11717	5.2
161.13277	4.1
163.11197	20.6
163.14825	2.9
173.09605	3.2
173.13240	4.6
175.14832	2.0
181.12207	3.9
184.07364	7.7
185.13327	1.7
187.14775	1.5
187.93677	1.2
189.11203	2.2
191.10687	2.0
193.12263	1.3
209.11752	7.9
227.12727	9.1
243.21080	4.8
259.20679	1.9
261.22195	17.1
267.15781	1.7
283.15402	95.3
299.23627	4.1
317.24609	5.0
333.24240	1.3
335.25818	100.0
336.26025	2.8
433.07010	1.1
433.30850	2.2
451.32187	1.5
469.32962	3.2
487.34525	1.3
511.19720	1.3
525.36194	5.8
543.36823	75.2
544.36707	3.5
561.37531	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	741.203
Annotation	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03964	0.3
55.01869	0.3
55.05524	0.3
57.03157	0.2
57.03438	2.6
59.35318	0.1
61.02915	0.2
65.03954	0.6
67.05508	0.3
69.03435	5.2
69.07079	0.2
69.95587	0.6
71.05000	16.6
73.02907	0.4
75.04483	0.5
77.07039	0.1
79.05495	0.2
79.79614	0.1
80.94531	0.1
81.03413	0.4
81.07056	0.3
83.04975	0.9
85.02912	18.4
87.04495	0.5
91.05488	5.1
93.07061	0.3
95.04935	0.2
95.08615	0.3
97.02896	0.7
99.04462	0.3
101.06114	0.1
103.05452	0.2
105.07059	0.2
107.04980	0.4
107.08578	0.2
109.02892	0.4
109.10178	0.4
111.00811	0.2
111.04446	0.5
119.04954	15.8
119.08583	0.2
120.05283	0.2
120.32715	0.1
121.02878	0.7
121.06505	0.2
123.04462	0.3
127.03923	2.1
129.05489	5.9
131.04953	0.2
133.02872	0.2
137.02318	0.2
137.05980	0.5
137.09621	0.4
145.05023	0.2
147.04422	100.0
148.04750	1.3
151.07538	0.3
153.01833	0.8
157.06537	0.3
161.09570	0.1
163.03944	0.2
163.07536	0.2
165.01845	0.4
165.05487	2.6
165.09161	0.6
167.07036	0.3
174.01865	0.1
175.07507	0.3
177.05411	0.2
183.02908	0.2
185.06004	0.2
187.07553	0.1
189.05553	0.1
189.09109	0.3
193.71892	0.1
201.05569	0.2
203.07010	0.2
213.05484	0.4
231.06598	0.5
241.05161	0.2
247.39557	0.1
258.05212	0.2
275.09268	0.4
287.05524	27.2
288.05841	0.4
291.08658	5.8
291.12039	0.3
293.10339	0.7
309.09723	14.0
310.10065	0.3
455.14880	0.2
577.15363	0.1
741.40436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
54.48827	0.2
55.01861	0.4
55.05504	0.4
57.03436	1.9
61.02911	0.4
65.03944	1.0
67.05499	0.4
69.03433	4.1
69.07076	0.3
69.30805	0.9
69.31239	1.0
71.04995	14.6
73.02921	0.3
74.75928	0.2
75.04472	0.4
79.05488	0.5
79.92963	0.2
81.03439	1.0
81.07052	0.9
83.04987	0.7
83.08617	0.2
85.02908	16.6
85.06527	0.2
87.04481	0.3
91.05482	7.4
93.07046	0.5
93.21207	0.2
95.05009	0.3
95.08607	0.5
97.02890	0.7
99.04438	0.5
105.07013	1.0
107.04970	0.5
107.08567	0.6
109.02875	0.4
109.10164	0.6
111.04440	0.6
111.08125	0.2
115.05447	0.2
117.06966	0.2
119.04947	18.6
119.08579	0.5
121.02849	1.0
121.06493	0.3
121.10133	0.6
123.04406	0.4
123.08118	0.2
123.11697	0.2
124.23622	0.2
127.03915	2.3
129.05490	5.4
129.06970	0.2
131.04909	0.3
133.02832	0.3
133.06454	0.2
133.10133	0.5
135.08072	0.3
137.02353	0.4
137.05977	0.6
137.09602	0.2
139.03908	0.5
139.11159	0.2
145.10197	0.3
147.04413	100.0
148.04736	1.0
151.03934	0.2
151.25005	0.2
153.01796	1.2
153.09109	0.2
157.06551	0.2
161.09660	0.3
165.01852	0.4
165.05469	2.3
165.09142	1.1
167.07053	0.8
183.02933	0.5
191.06882	0.2
197.05930	0.2
213.05513	0.5
220.11951	0.3
231.06488	0.4
232.06964	0.3
234.20193	0.2
275.09158	0.4
287.05502	41.3
288.05835	0.4
291.08606	4.2
293.10184	0.8
309.09683	7.7
410.13229	0.3
430.08511	0.2
449.10938	0.3
493.27847	0.4
741.21228	0.7
741.39539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2238
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.3
55.01864	0.2
55.05500	0.6
57.03442	1.8
59.05009	0.2
61.02936	1.5
68.99796	0.4
69.03438	1.2
71.01360	0.2
71.05000	9.3
73.02925	3.7
75.04476	0.6
79.05501	0.2
81.03419	0.4
83.04993	2.1
85.02913	13.0
86.06001	0.1
87.04459	0.3
91.03956	0.8
95.04976	0.2
97.02872	0.7
99.04472	1.2
105.03423	0.1
107.04958	0.2
109.02876	0.5
111.00790	0.4
111.04453	1.4
113.06020	0.2
117.05509	1.9
121.02884	1.7
123.04455	0.1
127.03937	0.9
129.05490	3.6
133.02870	0.4
137.02333	0.5
137.06081	0.2
139.03905	0.2
145.04985	0.6
145.06296	0.1
147.04411	0.4
147.06546	1.4
153.01828	2.7
153.05458	0.4
157.05045	0.1
157.06465	0.3
163.03937	0.1
163.06039	3.1
165.01865	1.3
175.03935	0.1
183.02907	0.5
185.06000	0.3
189.07648	0.2
201.07605	0.2
213.05437	1.0
213.07332	0.2
231.06580	0.6
238.16177	0.2
239.09174	0.5
241.04977	0.7
258.05270	0.5
259.05945	0.3
269.04517	0.3
275.11346	0.3
287.05521	100.0
288.05869	1.6
293.12604	0.2
299.05536	0.2
329.06525	0.3
353.06625	0.1
449.10934	1.1
773.03918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	1.1
59.63210	0.9
67.05511	2.7
69.07088	1.1
69.26180	9.0
72.43671	1.0
78.01897	0.9
79.05510	1.3
81.07069	2.6
91.05478	1.2
93.07077	2.5
95.08613	2.2
98.21489	2.0
105.07021	1.4
107.08598	1.1
109.10181	1.3
119.08650	1.2
121.10176	1.2
129.95697	0.9
131.08618	1.3
135.11702	1.0
198.29988	1.0
335.26105	1.1
530.38971	1.8
535.64148	0.9
739.96338	1.1
741.41962	100.0
742.42236	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	742.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01865	3.7
55.05511	13.5
56.51303	1.1
57.03444	12.3
59.05010	2.0
61.02924	1.3
64.20206	1.2
65.03954	1.3
67.05180	1.6
67.05512	23.0
67.91118	1.4
69.03426	5.8
69.07069	8.9
69.68124	1.2
70.99395	1.5
71.05003	6.4
71.53941	1.2
71.54421	1.9
73.02924	1.5
79.05501	25.3
81.03427	57.2
81.07065	22.9
83.04988	6.8
83.08620	15.7
85.02908	8.2
85.06535	2.5
91.05492	20.0
93.07050	21.3
95.04987	21.6
95.08615	13.7
97.02870	3.9
97.06523	5.0
97.10173	15.0
100.98032	1.4
103.05468	2.0
105.07043	16.0
107.04969	16.1
107.08604	17.7
108.05260	1.3
109.02910	2.4
109.06531	15.1
109.10155	5.9
111.04446	2.2
111.08083	5.4
112.59768	1.2
113.77087	1.5
115.05456	3.1
117.07060	6.1
119.04935	2.6
119.08595	13.1
121.06512	12.2
121.10156	14.4
123.04416	5.6
123.08062	5.7
123.11748	2.0
125.09652	15.2
127.03911	2.2
129.05536	3.1
129.06989	8.7
131.04939	2.8
131.08600	15.4
133.06490	3.5
133.10161	8.8
135.08075	8.0
135.11723	4.1
137.06035	2.8
137.09619	3.1
139.11200	2.6
141.06972	1.5
143.08554	2.1
145.04944	2.2
145.06487	3.8
145.10155	6.9
147.04414	10.8
147.08086	6.3
147.11690	5.6
148.04715	1.6
149.09637	7.2
153.09123	2.8
153.12703	1.5
155.06038	1.4
157.10139	7.7
159.11736	2.5
161.06049	1.9
161.09601	3.9
163.11174	4.0
165.09131	4.1
167.07083	2.8
167.10678	2.6
169.10135	2.1
171.08156	1.6
171.10277	2.2
171.11725	2.5
173.09528	1.8
173.13290	3.2
175.07422	1.6
175.11214	6.7
177.12828	2.4
181.12311	2.1
183.11720	1.9
185.09610	1.8
187.11205	1.7
187.14876	1.8
189.09302	1.6
189.11227	5.5
189.12762	2.0
191.10684	3.5
191.14372	3.2
193.12257	21.0
195.08086	1.9
199.11197	1.6
199.13348	2.1
209.11729	6.0
211.11496	1.5
211.13287	7.5
219.13853	9.9
227.12827	4.2
229.14215	2.4
233.15379	4.6
249.14951	1.8
259.15463	8.7
267.09109	1.4
267.15942	41.0
273.14798	6.1
283.15396	2.0
285.16974	4.9
287.05548	1.9
293.17673	3.1
301.16446	5.9
303.04977	1.5
317.15884	3.1
339.23172	2.6
349.21634	5.5
357.24231	3.5
367.22784	11.4
368.22668	1.4
385.23807	20.5
403.25003	7.8
441.26468	9.3
451.27151	4.3
459.27469	97.3
460.27707	3.3
477.28534	100.0
477.95914	1.6
478.28754	2.0
491.30252	7.1
495.29633	8.0
501.28452	1.7
509.30975	1.6
527.28522	5.1
567.29572	1.7
603.32300	1.8
742.38995	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01872	1.3
55.05513	10.3
57.03439	7.6
57.07062	1.3
61.02913	1.8
65.03938	2.1
67.05508	29.1
69.03421	2.2
69.07063	7.0
71.04995	2.2
77.03939	0.6
79.05494	24.8
81.03422	30.2
81.07059	27.8
83.04984	6.3
83.08620	12.6
85.02909	10.9
85.06547	1.3
86.36678	0.5
91.03976	0.6
91.05486	17.2
92.66151	0.5
93.07047	23.2
95.04975	12.4
95.08609	21.2
97.02904	2.0
97.06534	2.3
97.10178	3.0
98.20748	1.7
99.04485	0.8
99.08128	0.6
102.67270	0.5
105.04546	0.8
105.07035	12.3
105.33076	0.5
107.04945	3.4
107.08595	13.1
109.06528	2.0
109.10155	7.9
109.49776	0.5
111.04436	1.5
111.08093	5.4
113.06003	1.4
115.05473	0.7
117.07048	2.5
119.08582	11.3
121.06519	0.8
121.10150	11.6
123.08109	0.8
123.11715	2.4
129.07047	3.6
131.08574	7.9
131.59572	0.6
133.06496	1.0
133.10143	6.9
135.11693	6.0
137.09615	0.8
137.77100	0.5
142.07785	0.9
145.10117	3.3
147.08022	1.1
147.11697	8.4
149.09634	2.9
149.13303	2.2
155.08655	0.6
157.10085	5.3
159.11710	2.1
161.13268	1.5
163.11172	1.2
163.14790	0.9
165.12782	1.5
173.13278	1.7
175.11209	6.4
175.14799	0.5
181.12109	0.6
184.07451	0.9
187.14888	0.6
193.12248	19.1
211.13301	27.2
220.43895	0.6
227.12811	1.0
243.21219	1.1
261.22174	5.5
267.15939	6.8
283.15491	1.1
285.16980	26.9
317.24765	1.3
335.25809	51.5
336.26236	2.0
337.26337	1.2
351.46021	0.6
353.44876	0.5
444.10263	0.6
453.33649	1.2
527.37341	6.2
544.36963	0.7
545.38367	100.0
546.38434	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01859	1.7
55.05510	19.2
57.03185	1.1
57.03437	13.8
57.07067	2.5
60.53016	0.7
61.02927	3.8
65.03933	2.8
67.05505	45.8
69.03444	3.7
69.06719	1.1
69.07069	13.6
69.24103	1.5
69.24510	5.6
71.04993	4.0
73.02917	1.0
76.01417	0.7
78.20772	0.7
79.05493	35.9
79.39875	0.7
81.03418	42.3
81.07056	48.6
83.04983	11.1
83.08620	15.6
85.02425	1.4
85.02904	18.2
85.06530	2.0
91.03927	1.1
91.04899	0.9
91.05477	29.6
93.07041	39.7
95.04968	19.8
95.08605	32.1
95.09061	0.8
97.02876	3.6
97.06522	2.4
97.10186	4.4
98.20776	1.2
99.08101	1.4
102.81713	0.6
105.04527	1.0
105.07030	24.9
107.04972	5.1
107.08602	17.7
109.06522	3.6
109.10163	12.6
111.04439	1.8
111.08083	7.6
113.06015	1.2
117.07017	3.8
119.08572	19.4
121.06496	1.4
121.10145	18.4
123.08076	2.3
123.11699	5.4
125.09603	1.2
129.07007	7.5
131.08575	14.3
133.06496	2.4
133.10129	11.6
135.11708	9.3
137.09589	1.6
137.13225	0.8
142.07803	2.2
145.10133	6.3
147.08043	1.9
147.11678	14.1
149.09627	4.4
149.13261	3.6
151.11209	1.0
157.10138	9.5
159.11639	3.8
161.13258	3.1
163.11192	2.0
163.14833	2.4
165.12753	1.7
171.11642	0.8
173.13242	2.9
175.11191	9.0
175.14787	1.8
182.34639	0.8
183.11708	1.0
187.14833	1.9
193.12245	29.5
211.13290	42.2
212.13655	0.8
243.21063	2.0
261.22168	10.3
267.15884	12.8
271.14081	0.8
285.16968	48.1
286.17490	1.3
309.19635	0.7
317.24765	3.1
335.25793	80.9
336.26196	1.7
435.32693	1.8
453.33664	1.8
471.34210	0.8
509.36243	1.0
527.37390	13.4
545.38354	100.0
546.38513	3.2
683.80151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01870	2.9
55.05267	1.3
55.05514	16.8
57.03439	14.2
57.07085	1.5
57.88434	0.7
59.66794	0.7
60.11139	0.8
61.02925	3.9
64.55704	0.8
65.03929	1.9
67.05507	43.1
69.03442	3.9
69.07072	11.4
70.69226	0.8
70.69579	2.1
71.05016	3.6
73.02939	1.0
77.03954	1.3
79.05493	35.1
81.03423	47.2
81.07061	45.5
83.04982	12.5
83.08625	21.3
85.02908	19.6
85.06557	2.0
91.05486	30.6
93.07046	36.2
95.04974	18.8
95.08612	27.3
97.02879	4.3
97.06546	4.6
97.10178	4.7
98.18102	0.9
99.08089	1.7
105.07040	20.7
107.04958	5.2
107.08604	17.6
108.24915	0.7
109.06535	3.9
109.10156	10.4
110.46889	0.6
111.04425	1.9
111.08093	8.4
113.06000	2.0
115.05482	1.6
117.06999	3.6
119.08588	19.3
121.06507	2.3
121.10142	16.4
123.08067	3.5
123.11720	4.4
125.09609	1.5
129.07008	8.6
131.08568	11.5
133.06497	2.2
133.10132	13.9
135.11707	6.6
137.09673	1.2
142.07767	1.8
143.08615	1.0
145.10129	6.3
147.08093	1.7
147.11697	15.7
149.09669	3.7
149.13272	3.2
157.10138	10.7
159.11707	3.2
161.13303	2.1
163.11172	1.1
163.14862	2.1
165.12764	3.4
171.11728	0.9
173.13278	2.7
175.11198	10.9
187.14828	1.2
193.12253	39.4
211.13300	71.2
212.13710	0.9
227.12830	1.1
229.14276	0.9
243.21147	3.2
261.22147	7.2
267.15942	14.2
277.21832	0.8
285.16971	82.4
286.17230	1.7
301.25513	1.1
317.24750	3.2
335.25821	78.4
336.26242	2.3
435.32648	1.9
453.33875	2.3
471.35126	1.1
527.37329	11.9
545.38391	100.0
546.38727	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01879	8.1
55.05268	2.3
55.05515	27.3
57.03189	1.6
57.03442	17.2
57.07072	4.7
59.04988	2.8
61.02935	8.7
65.03920	1.5
66.62056	1.1
67.05509	65.6
68.05843	1.2
69.03420	3.0
69.07073	27.1
69.97283	1.2
71.01358	1.5
71.04993	4.1
71.08620	1.9
71.53632	1.7
73.02907	3.3
78.36356	1.4
79.05063	2.2
79.05500	30.6
81.03421	11.5
81.07063	67.7
82.07419	1.4
83.01340	7.1
83.04979	9.7
83.08625	20.9
85.02920	9.2
85.06538	3.8
91.03953	2.2
91.05489	26.6
93.07051	38.6
95.04984	10.4
95.08614	49.0
97.02913	6.3
97.06553	6.5
97.10181	6.4
99.04446	3.1
99.08092	1.8
105.07018	18.0
106.96738	1.2
107.04954	4.8
107.08598	24.9
109.06554	6.5
109.10168	14.9
111.04453	1.3
111.08066	4.3
117.06342	1.1
117.07009	6.6
119.08589	16.6
121.06505	2.7
121.10162	14.3
123.08080	7.6
123.11718	5.8
125.09627	1.4
129.07001	2.4
131.08609	6.7
131.97717	1.2
133.10141	10.6
135.08051	1.6
135.11691	13.3
137.09637	2.4
137.13264	2.1
143.08586	1.2
145.10130	14.2
147.08018	2.6
147.11691	5.4
149.09650	1.7
149.13254	4.0
151.14751	1.5
153.12738	2.4
155.08530	1.3
159.11626	1.7
161.13249	4.4
163.11197	20.2
163.14867	1.6
173.09596	2.1
173.13301	1.3
175.14816	3.3
179.29253	1.1
181.12196	3.4
185.25664	1.4
191.10760	1.8
193.12274	1.8
209.11748	4.2
211.13338	1.3
227.12839	5.4
243.21095	1.9
245.22604	2.9
261.22293	2.1
263.23724	8.0
267.15979	2.8
276.02249	1.2
283.15411	95.9
285.16983	13.0
335.25854	14.5
337.27396	100.0
338.27811	1.5
377.14127	1.2
453.33487	2.3
498.31049	1.4
527.37115	5.0
545.38409	95.4
546.38757	4.1
563.39349	2.5
583.41211	1.5
742.44299	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	743.2033
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
52.13200	0.1
52.15304	0.1
53.03931	0.2
53.72676	0.1
55.01860	0.5
55.05506	0.3
57.03437	2.6
59.04978	0.2
61.02924	1.1
65.03928	0.1
68.99796	0.2
69.03082	0.2
69.03431	3.1
69.32108	0.6
69.32520	0.4
71.01358	0.4
71.04996	9.2
73.02921	4.7
75.04459	0.5
81.03414	0.6
81.07036	0.2
83.04980	1.7
85.02908	15.9
87.04469	0.8
91.05473	0.1
93.03422	0.2
95.04955	0.4
97.02284	0.3
97.02895	4.0
98.97554	0.2
99.04445	0.6
103.03924	0.6
107.04933	0.2
109.02873	0.6
111.00792	0.7
111.04452	1.1
113.05994	0.1
115.03932	2.8
121.02859	0.7
123.04418	0.3
127.03931	1.1
129.05481	4.2
133.04988	1.1
135.04436	0.3
136.66571	0.1
137.02344	2.2
137.05981	0.2
139.03917	0.5
144.43460	0.1
145.04955	0.9
147.06514	1.8
149.02388	0.1
149.04501	0.6
153.01840	2.3
157.06560	0.2
161.05972	0.3
163.03931	0.5
163.06013	0.3
164.04388	0.1
165.01819	1.6
167.07082	0.2
169.04991	0.4
171.06581	0.2
173.06004	0.3
175.06049	0.1
183.02887	0.6
183.04320	0.2
183.06566	0.2
187.03992	0.2
195.02890	0.1
201.05481	1.1
213.05429	0.2
219.06566	0.2
225.07652	0.7
229.04955	3.1
232.03639	0.1
241.07082	0.2
243.08658	0.5
247.06036	0.6
249.76823	0.1
257.04465	2.0
259.08197	0.2
274.04700	0.6
275.05411	0.2
279.10794	0.4
285.03946	1.1
287.05612	0.2
303.04996	100.0
304.05273	1.6
315.04965	0.2
345.05814	0.2
404.43130	0.2
465.10297	1.3
743.18817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2024
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
57.03439	6.0
59.04989	0.2
61.02928	2.0
64.00885	0.2
65.35615	0.3
65.76340	0.2
67.05515	0.2
67.83796	0.2
68.99789	0.7
69.03431	7.5
70.89184	0.4
71.01347	0.9
71.04995	2.6
73.02919	10.3
75.04469	0.5
81.03408	0.6
83.04966	0.7
85.02907	9.3
87.04459	0.8
91.03972	0.2
95.05006	0.4
97.02888	3.6
99.04451	0.3
103.03313	0.3
103.03944	3.6
109.02873	0.4
111.00797	0.6
111.04446	0.5
113.02371	0.2
113.05997	0.5
115.03926	4.2
121.02861	0.7
123.04410	0.4
127.03896	0.8
129.05482	1.6
129.30907	0.2
131.28069	0.2
133.04994	1.2
137.02342	2.3
145.04950	0.7
147.06508	0.6
149.02461	0.3
149.04459	5.0
153.01804	2.3
162.86531	0.2
163.03903	0.3
165.01845	2.1
166.02650	0.2
169.04936	1.2
173.05956	0.2
175.06030	0.6
183.02888	0.5
183.04384	0.3
201.05475	1.2
219.06616	0.3
225.07492	0.2
229.04977	3.6
247.06000	0.6
257.04428	2.4
274.04694	0.9
285.03882	1.1
303.04987	100.0
304.05383	1.1
345.06042	0.4
434.86987	0.2
449.10550	0.2
465.10153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01864	0.5
55.05517	1.6
57.03446	1.9
61.02930	5.6
61.50932	0.2
67.05505	5.0
69.03433	3.2
69.07073	1.5
69.27267	1.1
69.27692	1.2
71.01361	0.4
71.05001	0.7
73.02922	4.5
79.05495	4.5
81.03432	1.9
81.07062	5.1
81.61385	0.2
83.01347	0.3
83.04986	0.5
83.08623	1.1
85.02910	5.5
91.03963	4.0
91.05486	3.1
93.07043	4.1
95.04974	0.8
95.08614	3.9
97.02895	4.6
97.06558	0.5
97.10184	0.5
99.04464	0.8
101.02381	1.8
103.03912	0.4
105.07040	2.0
107.04897	0.3
107.08600	2.3
109.02898	1.0
109.06537	0.4
109.10158	1.6
115.03937	0.7
117.07099	0.3
119.08614	1.1
121.10148	2.1
123.11716	0.3
125.09658	0.3
127.03917	1.0
129.07001	0.6
131.08546	0.5
133.10139	1.1
135.11713	0.6
143.08551	0.3
145.04956	0.3
145.10138	0.7
147.11717	1.1
159.11731	0.4
161.13290	0.7
171.11752	0.8
173.13263	0.3
185.04269	1.1
201.03732	0.3
201.54832	0.3
243.08424	1.9
247.13081	1.3
261.22397	0.4
283.15314	0.3
335.25891	0.6
338.27911	0.4
465.21008	4.0
498.31628	0.4
499.31241	0.3
519.29279	8.1
546.38611	0.4
577.63239	0.3
743.43445	100.0
744.43658	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	744.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01872	4.1
55.05521	14.4
57.03445	12.6
57.07070	1.9
58.43308	1.4
60.08134	2.2
61.02921	3.6
65.03938	1.9
67.05511	57.7
69.03418	4.6
69.07080	19.7
71.01369	2.2
71.04987	5.1
71.53194	1.5
73.02922	1.9
79.05501	41.9
81.03424	8.6
81.07065	43.0
83.04998	10.5
83.08644	8.4
85.02898	4.3
85.06563	3.1
86.09710	8.8
88.92587	1.7
91.05491	26.2
93.06480	2.7
93.07056	51.5
95.04977	5.7
95.08617	17.3
97.02888	3.3
97.06554	12.8
97.10179	9.9
99.04429	1.9
99.08157	2.3
105.07030	18.4
107.04957	3.4
107.08600	37.5
109.02879	2.1
109.06496	3.9
109.10153	9.2
111.08057	2.5
117.07019	8.9
119.08596	15.3
121.06485	3.1
121.10165	12.2
125.00016	4.7
125.09648	3.0
127.03931	3.3
129.06960	2.7
130.07791	1.6
131.08600	9.5
133.10159	11.4
135.08073	3.8
135.11713	44.2
137.09644	3.3
143.08549	2.3
145.10135	13.1
147.11694	4.6
149.09596	7.2
149.13269	7.4
154.47267	1.5
159.11685	7.0
161.13237	2.2
163.11130	8.5
169.10028	2.3
173.04547	2.1
173.13289	1.8
177.12675	1.5
179.14253	1.9
181.12256	8.0
184.07384	21.6
185.13249	2.1
195.13844	3.1
199.13345	2.5
253.14220	1.7
255.15930	58.9
257.19092	4.3
269.17523	15.6
275.20181	12.7
278.35962	1.4
306.11780	1.7
349.23804	9.6
425.25259	2.0
435.27536	23.8
439.00717	1.6
449.29044	100.0
449.98315	1.6
450.29117	2.9
529.35388	23.5
547.36261	8.1
655.59277	1.7
744.44421	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	744.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01867	4.9
55.05515	23.2
56.96561	2.2
57.03452	17.0
60.08160	2.4
61.02921	4.6
61.87645	1.6
65.03933	3.9
67.05513	77.9
69.03428	7.7
69.06734	2.6
69.07076	30.7
70.99991	1.6
71.01344	3.4
71.04985	7.2
71.53510	2.1
79.05502	67.7
81.03029	1.7
81.03426	15.1
81.06596	3.4
81.07069	64.1
83.04993	15.9
83.08630	12.0
85.02887	7.6
85.06544	5.4
86.09715	10.2
91.05488	41.6
93.07056	77.8
95.04986	11.8
95.08617	21.7
97.02894	6.6
97.06540	24.4
97.10181	14.1
98.98443	1.8
99.08112	6.5
105.04567	2.6
105.07043	25.6
107.04959	7.2
107.08608	59.3
109.02888	2.0
109.06500	7.2
109.10170	15.3
111.04412	2.4
111.08086	5.3
117.07033	16.0
119.08589	22.1
121.06426	3.7
121.10134	16.2
123.08024	2.9
125.00017	5.4
125.09630	6.5
127.03929	5.2
129.07019	5.8
131.08589	15.4
133.10158	17.1
135.08031	5.1
135.11707	62.8
137.09572	3.7
139.03885	3.3
143.08534	3.0
145.10139	20.5
147.11650	9.3
149.02338	1.9
149.09618	13.4
149.13278	7.5
150.23807	1.7
153.12737	1.9
157.10168	3.0
159.11676	9.4
161.13358	2.5
163.11218	17.0
171.11668	2.3
173.13190	4.3
177.12721	2.0
179.14369	1.9
181.10719	1.8
181.12251	11.8
183.11652	1.7
184.07349	33.8
185.13255	2.1
187.11133	2.2
189.11243	2.1
193.04898	2.7
195.13808	4.2
217.47372	1.9
227.12840	8.8
229.19528	1.8
239.18060	2.2
247.20370	3.0
255.15916	90.0
257.19034	9.8
267.15674	2.3
269.17474	12.4
275.20126	27.5
291.19601	2.4
293.21091	3.4
304.05325	1.9
331.22589	3.0
349.23807	24.4
349.27728	3.4
351.21460	3.2
409.25717	3.2
425.25369	2.9
433.29495	2.5
435.27512	29.0
449.29059	100.0
465.28613	2.7
489.32019	3.2
529.35345	57.6
547.36584	11.3
593.33374	2.9
598.96057	2.1
633.50201	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01868	1.7
55.05511	12.9
57.03437	7.3
57.07072	2.2
59.05005	3.1
61.02929	3.5
65.03937	2.8
66.54083	0.6
67.05507	87.5
69.03435	2.5
69.07071	12.4
70.77846	1.1
70.78191	0.7
71.04995	21.8
71.08649	0.7
73.02910	1.3
79.05495	31.5
81.03417	4.9
81.07057	42.8
83.04993	4.6
83.08621	10.6
85.02926	3.8
85.06547	3.9
86.09694	1.2
87.04505	0.7
91.04000	1.1
91.05484	21.0
93.07046	38.5
95.04980	3.1
95.08608	29.2
97.02890	1.9
97.06542	4.4
97.10182	3.4
99.04455	0.7
99.08070	1.2
105.04539	0.9
105.07031	11.2
106.52584	0.6
107.08598	19.9
109.06538	1.8
109.10158	61.8
110.10470	1.0
111.08065	3.5
115.05470	0.6
117.07006	5.7
119.08577	18.8
121.10147	17.2
121.11026	0.9
123.08087	1.5
123.11740	2.4
125.09637	1.7
131.08586	6.9
133.10124	7.8
135.08025	0.7
135.11693	14.8
137.09621	9.8
137.13235	0.7
139.11192	1.4
145.10121	7.0
147.11719	5.7
149.13261	5.0
151.11200	1.4
153.12708	0.7
155.10704	4.1
157.10150	1.5
159.11711	2.5
161.13281	2.7
163.11214	2.1
163.14838	1.1
169.12277	1.5
171.11639	0.7
173.11766	7.8
173.13286	3.0
175.11223	0.8
175.14865	1.4
177.16550	0.7
181.12294	1.9
184.07413	1.8
185.13350	0.7
187.13376	1.4
187.14929	1.0
193.12279	2.4
211.13348	2.6
213.14832	1.5
218.92992	0.6
219.17671	0.7
229.14424	0.8
243.16019	2.3
243.21165	1.1
255.15869	5.7
261.22229	2.5
285.17004	3.8
287.18527	22.7
317.24802	1.1
335.25784	25.7
336.26208	1.1
337.27261	3.3
363.25201	0.7
379.29984	1.5
382.79623	0.6
397.30975	1.5
423.32578	1.7
471.34564	5.1
489.35757	100.0
490.35529	3.2
497.35928	0.7
503.37518	3.5
515.37366	17.5
516.37878	0.7
529.38660	1.8
533.38202	1.5
547.39954	84.7
548.40247	3.5
744.45538	5.2
745.41235	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01873	2.7
55.05510	19.2
56.70241	0.5
57.03189	0.8
57.03437	12.4
57.07067	2.2
58.86486	0.5
59.04979	0.6
61.02920	3.9
65.03931	2.0
67.05503	47.8
69.03429	4.0
69.07066	16.6
69.48873	3.7
71.04990	4.6
71.08617	1.3
73.02898	1.2
74.09714	0.7
79.05490	22.4
81.03417	44.2
81.07053	48.1
83.04977	11.4
83.08616	22.8
83.09113	1.1
85.02904	18.4
85.06546	1.7
86.09677	0.7
91.03974	1.4
91.05479	26.1
93.07043	23.7
93.07627	1.2
95.04967	17.4
95.08606	30.5
97.02869	3.7
97.06527	4.8
97.10157	6.9
98.21542	1.1
99.08103	1.8
105.07028	18.5
107.04953	3.7
107.08591	9.6
109.06526	3.1
109.10157	14.5
109.39117	0.6
111.04463	2.1
111.08074	7.3
113.05981	1.3
115.05450	1.3
116.46148	0.6
117.07014	1.5
119.04939	0.6
119.08578	16.9
121.06534	0.6
121.10133	11.5
123.08080	1.9
123.11710	6.0
125.09630	1.5
128.06229	0.6
129.06989	8.0
131.08563	8.2
133.06514	2.1
133.10132	11.9
135.11723	3.5
135.80937	0.6
137.09592	2.0
137.13290	1.5
139.11076	0.7
142.07765	1.9
145.10118	2.3
147.08064	2.5
147.11679	10.5
149.09648	4.4
149.13271	2.3
151.11122	0.6
153.12839	0.7
157.10114	12.1
161.13260	1.7
163.11205	1.1
163.14862	1.1
165.12790	2.1
175.11174	10.0
175.14857	1.0
184.07327	1.3
193.12242	32.5
211.13286	56.5
245.22723	0.8
263.23715	2.4
267.15903	15.4
285.16959	68.1
286.17224	1.1
289.42261	0.6
335.25851	1.9
337.27356	59.4
338.27649	1.4
437.33844	0.9
455.34995	1.1
489.35715	2.4
497.22586	0.7
529.38812	10.9
530.39575	0.7
547.39929	100.0
548.40466	3.2
638.21765	0.6
643.68494	0.6
744.45953	6.0
745.41107	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	744.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00721	0.9
53.03954	4.3
55.01873	2.1
55.05270	1.6
55.05513	21.3
57.03440	15.9
57.07058	2.9
59.05003	1.2
61.02927	5.8
65.03949	1.8
67.05507	56.2
69.03421	3.5
69.07073	18.7
71.05001	5.8
71.08624	1.3
73.02905	1.9
74.10403	1.0
79.05495	29.5
81.03425	50.6
81.07061	58.6
83.04987	12.1
83.08620	26.4
85.02908	22.2
85.06555	1.7
86.09680	1.6
91.03958	1.6
91.04905	1.4
91.05482	28.9
93.07048	23.0
95.04974	19.9
95.08613	35.7
97.02901	4.1
97.06516	4.8
97.10169	6.4
99.08099	1.7
105.06385	1.5
105.07037	19.3
107.04945	3.9
107.08607	13.0
108.45267	0.9
109.06499	3.3
109.10160	17.7
111.03690	0.8
111.04462	2.5
111.08083	7.2
113.05980	1.5
116.06103	1.0
117.06992	1.6
119.08585	18.0
121.06509	0.9
121.10152	14.1
123.08047	2.8
123.11682	6.7
125.09619	1.3
129.07004	8.4
131.08583	10.2
133.06485	1.9
133.10129	12.1
135.08151	1.0
135.11710	4.0
137.09593	2.7
137.13304	1.6
139.11220	1.4
142.07780	1.1
145.10181	2.8
147.08043	2.7
147.11700	14.9
149.09634	5.1
149.13254	1.8
151.14839	0.8
157.10127	12.7
159.11684	1.5
161.13287	1.9
163.11263	1.6
163.14761	1.5
165.12764	2.7
165.16304	1.2
173.11740	0.9
175.11180	11.8
184.07330	1.8
188.63210	0.9
193.10420	1.2
193.12253	34.7
211.13301	55.6
232.28773	0.9
245.22748	1.0
249.14957	0.8
255.15829	1.0
263.23651	2.6
267.15942	15.8
283.15359	1.0
284.92352	0.9
285.16977	73.5
286.17310	1.5
287.18320	1.4
319.26276	1.3
335.25784	3.0
337.27386	64.3
338.27505	1.2
340.83664	0.9
455.35425	1.6
467.19247	1.1
470.21274	1.0
489.35812	5.0
529.38940	12.2
547.39972	100.0
548.40289	2.8
572.86993	0.9
744.45728	12.8
745.41467	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01872	3.8
55.05276	0.9
55.05516	15.5
57.03442	9.7
57.07077	5.9
59.04998	2.0
61.02922	2.6
65.03938	0.9
67.05511	14.2
69.03447	1.2
69.07074	19.5
71.01375	0.7
71.04980	2.1
71.08627	3.3
71.13468	1.0
73.02908	1.0
79.05499	13.1
81.03429	6.3
81.07063	19.9
83.01352	5.3
83.04982	6.5
83.08624	15.7
85.02917	5.4
85.06556	1.0
85.10180	1.2
91.03963	1.3
91.05480	6.5
93.07047	17.2
95.04967	4.5
95.08614	17.4
97.02883	3.6
97.06528	3.6
97.10175	7.6
99.04460	1.7
99.08089	0.8
101.06063	0.6
105.07030	4.8
107.04970	4.0
107.08604	9.8
109.06512	3.6
109.10175	6.8
111.04412	1.3
111.08067	1.9
111.11712	2.3
117.07030	4.3
119.08594	4.6
121.06501	2.0
121.10153	9.5
123.08071	5.8
123.11728	1.4
125.06020	0.8
125.09642	1.0
129.07014	0.8
131.08595	1.6
133.10150	1.3
135.08060	0.8
135.11702	10.7
139.11247	0.8
145.06427	0.7
145.10135	8.5
147.08057	1.1
149.09616	0.6
149.13278	2.0
151.11176	0.6
153.12708	1.4
163.11195	14.8
173.09636	1.9
181.12238	1.6
184.07317	0.8
191.10678	1.7
199.15047	0.5
209.11774	4.8
227.12827	3.4
247.24336	0.7
249.01874	0.5
265.25317	1.0
283.15414	100.0
284.15732	1.9
339.28967	69.7
340.29202	1.1
529.38953	1.0
547.39990	44.8
548.40460	1.8
699.45154	0.6
706.12610	0.6
732.96838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.96574	1.0
60.94451	0.3
61.02919	0.5
67.05489	0.8
69.03442	1.0
69.07085	0.6
70.49928	0.8
70.50314	0.8
71.05032	0.5
79.05526	0.5
81.03449	1.0
81.07070	1.6
83.04982	0.4
83.08651	0.5
84.96071	0.4
85.02927	1.5
91.03988	0.4
91.05468	0.9
93.07069	0.9
95.08616	0.8
97.02924	0.8
99.04494	0.5
105.07058	1.4
107.04980	0.5
107.08627	1.0
109.10191	1.0
111.08070	0.5
112.99148	0.5
119.08582	0.7
121.06499	0.5
121.10164	0.8
123.04395	0.5
124.59566	0.4
127.03919	0.5
128.08691	0.4
131.00166	0.5
133.10231	0.9
135.08089	0.4
137.06015	0.8
139.03914	0.5
145.10165	0.6
147.04491	0.5
147.11737	0.9
149.09682	0.7
151.03923	0.6
161.09668	0.4
165.09201	0.8
173.11868	0.4
193.12346	0.4
217.71570	0.4
226.40070	0.4
249.08179	0.4
267.09091	5.7
267.15787	0.3
285.10123	3.0
309.10223	0.9
485.17090	3.7
501.23245	0.6
517.20490	0.6
637.83411	0.4
641.31323	0.6
655.27954	0.6
706.53693	0.4
727.34851	0.9
745.34235	100.0
746.34607	4.0
772.92505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01869	0.8
55.05513	1.2
57.03438	1.7
57.07080	0.5
59.09427	0.4
61.02934	2.5
67.05517	1.3
69.03429	1.6
69.07072	0.9
71.05000	0.7
73.02919	2.2
79.05479	1.4
81.03419	2.8
81.07064	1.9
83.05009	0.6
83.08620	1.3
85.02905	3.7
87.04486	0.5
91.03987	2.6
91.05482	1.3
93.07077	1.3
95.04962	0.6
95.08632	0.7
97.02914	3.0
97.06535	0.7
98.21545	0.9
99.04445	0.7
101.02365	0.5
105.07066	0.7
107.08566	0.8
109.02888	0.8
109.10172	0.7
111.08069	0.7
117.05525	0.9
119.08546	1.0
121.10168	1.2
127.03954	1.4
129.05493	1.8
131.08606	1.1
133.10184	0.6
145.04982	0.5
145.10202	0.6
147.11708	0.9
149.09668	0.9
157.10167	0.6
175.11218	0.5
181.04756	0.9
185.04211	3.3
193.12331	1.6
199.05884	0.5
201.03677	1.0
207.13600	0.9
232.92593	0.4
243.08463	3.1
251.12592	0.6
256.52408	0.5
265.14252	1.2
278.48215	0.5
283.15207	8.1
301.08957	13.7
301.12131	0.8
309.16589	2.5
315.10617	3.2
323.18262	2.9
327.10867	0.6
329.11948	0.6
339.17978	0.9
341.12158	0.9
343.13602	0.9
355.13565	0.8
357.15454	1.1
360.10507	0.5
369.15329	0.7
371.16745	0.7
373.11124	4.7
381.18912	6.0
383.16888	1.9
385.18375	7.1
387.12845	1.0
395.20624	1.1
399.20078	2.1
412.46759	0.5
415.15778	1.2
427.19397	6.6
429.17462	1.5
439.19711	0.9
441.21069	1.2
443.19043	1.0
457.20706	1.0
465.28375	3.5
469.20297	2.6
483.22510	1.4
485.19891	1.0
499.21118	2.9
501.23340	17.4
502.23810	0.6
511.28891	1.3
516.22382	0.5
517.22516	1.3
529.22620	12.0
530.22754	0.5
545.22107	1.5
567.31445	0.8
573.25220	10.3
585.32526	0.5
587.26672	2.3
601.28296	2.8
613.32404	2.1
615.30157	1.7
641.31433	2.0
643.33215	4.9
683.36017	1.1
685.34259	0.8
699.35529	0.8
727.35095	2.0
728.36462	1.0
745.36206	100.0
746.36523	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	745.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	0.3
53.04078	0.3
53.14016	0.3
54.95515	0.2
55.01786	0.3
55.02000	0.3
55.05383	0.5
55.05627	0.4
55.71197	0.3
57.03310	0.8
57.03598	0.6
59.04873	0.3
61.02777	2.6
61.03138	1.5
62.11430	0.2
63.57882	0.2
67.05350	4.6
67.05756	2.2
69.03268	1.8
69.03674	0.7
69.06969	0.5
69.07275	0.3
71.01225	0.4
71.04840	0.7
73.02745	2.1
73.03194	0.8
79.05319	1.2
79.05824	0.6
81.03237	3.1
81.03774	1.0
81.06882	1.6
81.07388	0.5
83.04836	0.7
83.05291	0.5
83.08453	0.8
85.02723	4.6
85.03300	1.1
87.04321	0.5
91.03772	3.2
91.04405	0.8
91.05295	1.7
93.06853	1.3
93.07476	0.5
95.04768	0.9
95.08409	1.1
97.02702	3.6
97.03403	0.7
97.06392	0.4
99.04298	0.6
99.04871	0.4
99.07923	0.3
101.02178	1.5
103.03828	0.5
105.06834	1.4
107.04825	0.3
107.08390	1.0
109.02675	0.9
109.06348	0.5
109.09953	5.5
109.10781	0.9
111.04321	0.4
111.07912	0.6
115.03759	0.4
119.08376	1.7
121.09943	0.7
121.10738	0.3
127.03719	1.5
129.05333	0.3
129.06841	0.6
131.08383	0.4
133.09912	0.8
137.05855	0.5
137.09476	0.6
145.04755	0.5
145.09958	0.6
147.11447	0.8
149.09436	0.4
155.10542	0.6
157.09999	0.5
161.09483	0.4
163.10968	0.3
165.09000	0.3
165.12616	0.4
173.11746	2.7
175.10962	0.8
185.04031	0.5
193.12004	1.6
195.09720	0.5
203.05093	0.3
211.13086	0.6
229.14345	1.9
243.08377	2.3
245.04819	1.0
251.12648	1.5
263.06100	0.4
267.15601	0.4
281.13361	0.3
283.15097	0.5
285.16577	0.4
296.72055	0.3
305.07101	0.3
307.14932	0.6
319.85818	0.3
351.13373	0.3
413.17847	13.7
414.17953	0.3
427.18503	0.3
461.24701	0.4
469.20474	11.1
479.25443	0.6
501.23053	0.8
573.25177	0.4
590.06793	0.4
641.31451	100.0
642.31824	3.3
699.35980	1.1
727.35162	0.9
745.35986	24.6
746.36292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01870	0.5
55.05518	1.5
56.74614	0.2
57.03440	1.9
61.02932	4.2
65.03975	0.2
67.05513	3.7
69.03435	2.4
69.07077	0.8
69.23132	0.3
69.23535	1.6
71.01349	0.5
71.05003	0.5
73.02927	3.2
79.05499	3.6
79.05921	0.4
79.31026	0.2
80.24517	0.3
81.03425	1.5
81.07068	3.9
81.24848	0.2
83.05000	0.5
83.08633	0.8
85.02914	3.5
85.06488	0.2
87.04482	0.4
91.03967	2.7
91.05486	1.7
93.07054	4.0
95.04986	0.5
95.08623	4.0
96.18367	0.2
97.02898	3.7
97.06587	0.4
98.71188	0.2
99.04469	0.8
101.02375	1.7
103.43675	0.2
105.07020	1.1
107.04977	0.4
107.08617	2.5
109.02905	0.7
109.10173	1.6
115.03979	0.3
117.07066	0.7
118.70041	0.2
119.08596	1.1
121.06490	0.5
121.10161	1.7
123.11726	0.3
127.03940	1.4
131.08585	0.6
133.10184	0.4
135.11705	3.3
145.10144	1.6
147.11720	0.5
149.13379	0.2
163.11185	3.4
173.13229	0.2
181.12317	0.5
185.04253	0.9
203.05237	0.4
219.10002	0.7
227.12802	2.4
243.08383	2.1
249.11002	9.1
304.80826	0.3
305.13684	2.9
335.25909	0.5
467.18951	10.8
468.19492	0.3
519.29480	5.1
519.37183	0.4
520.29895	0.2
548.39337	0.4
583.36505	0.4
650.04828	0.3
745.41388	100.0
746.41638	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	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59624	0.2
53.03940	0.7
55.01868	0.6
55.05507	1.3
57.03440	1.7
57.07067	0.4
59.05008	0.2
61.02927	6.1
62.09595	0.2
65.03886	0.2
67.05507	5.1
69.03427	3.9
69.07067	1.0
69.27234	1.8
71.01362	0.4
71.04987	0.7
73.02917	3.9
79.05495	3.7
79.78156	0.2
81.03416	1.9
81.07057	4.9
83.01341	0.2
83.04987	0.4
83.08627	0.5
84.60130	0.2
85.02906	5.6
87.04475	0.3
91.03960	3.8
91.05476	1.9
93.07047	4.7
95.04971	0.7
95.08604	3.1
97.02888	4.8
97.06534	0.3
97.10167	0.3
98.20737	0.5
99.04459	0.8
101.02372	1.9
103.03931	0.3
105.07013	1.3
107.04974	0.5
107.08583	2.6
109.02872	1.1
109.06548	0.4
109.10149	1.4
115.03934	0.4
117.07011	0.6
119.08552	0.9
121.10143	1.8
123.08111	0.5
123.11714	0.4
127.03912	1.7
129.05484	0.3
131.08588	0.8
132.18404	0.2
133.10115	0.5
135.11726	1.2
145.04959	0.2
145.10153	0.8
147.11708	0.3
149.13277	0.3
159.11757	0.3
163.11176	1.0
173.13303	0.2
185.04201	0.6
203.05298	0.5
224.47365	0.2
243.08391	1.9
249.11011	0.6
283.15381	0.3
289.27084	0.2
296.46573	0.2
335.25888	0.6
414.58105	0.2
423.22186	0.2
467.18939	3.7
497.31570	0.3
505.78503	0.2
519.29266	7.6
520.29474	0.4
536.57214	0.2
548.39606	0.3
579.76111	0.2
660.18573	0.2
705.98425	0.2
745.41284	100.0
746.41681	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01869	0.5
55.05511	1.5
57.03441	1.6
61.02929	5.5
65.03913	0.2
67.05505	5.7
68.05853	0.3
68.91596	0.2
69.03432	3.2
69.07066	1.4
71.01362	0.4
71.04988	0.4
71.54884	0.3
73.02917	4.9
79.05495	4.3
81.03419	1.6
81.07059	5.5
83.04987	0.3
83.08621	0.8
85.02908	5.6
86.09723	0.3
87.04488	0.4
91.03954	3.7
91.05478	2.1
93.07041	4.4
94.07376	0.2
95.04984	0.5
95.08611	4.6
97.02894	4.6
97.06532	0.5
97.10191	0.2
99.04457	1.1
101.02379	1.8
103.03934	0.4
105.07024	1.7
107.04970	0.2
107.08598	2.8
109.02882	0.9
109.10134	1.4
115.03982	0.4
117.07062	0.8
119.08580	1.2
121.06528	0.2
121.10131	2.1
123.11743	0.4
124.99962	0.3
127.03918	1.6
131.08594	0.8
133.10124	0.8
135.11700	2.7
145.10123	1.3
147.11713	0.5
149.06647	0.2
149.13193	0.5
159.11639	0.2
161.13318	0.3
163.11191	2.3
173.13313	0.2
181.12291	0.4
184.07364	1.3
185.04312	0.7
185.07722	0.2
203.05231	0.5
219.10045	0.3
227.12868	1.2
243.08405	2.6
249.10977	12.1
295.59537	0.2
298.40747	0.2
305.13614	1.3
335.25870	0.9
336.26041	0.3
357.50909	0.2
467.18948	5.7
504.37878	0.5
519.29303	8.0
520.29675	0.3
548.39520	0.4
583.36157	0.6
663.51569	0.2
745.41290	100.0
746.41522	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74881	0.3
53.03946	0.8
54.81565	0.4
55.01868	0.8
55.05512	2.7
57.03439	2.8
57.07084	0.4
61.02932	4.6
67.05168	0.7
67.05509	7.5
67.05840	0.7
68.05844	0.6
69.03434	3.4
69.07066	2.6
69.39697	2.8
71.05009	1.1
73.02917	4.2
79.05502	4.6
81.03421	4.9
81.07064	7.2
82.07397	0.4
83.01370	0.5
83.04991	1.5
83.08634	2.1
85.02919	5.2
87.04500	0.5
91.03961	3.1
91.05498	3.1
93.07063	4.8
95.04988	1.6
95.08608	4.7
97.02898	4.5
97.06540	0.6
97.10182	0.8
98.20804	0.9
99.04483	1.6
101.02396	1.4
102.07060	0.4
103.03919	0.4
105.07053	2.1
107.04975	0.8
107.08598	3.0
109.02901	1.3
109.06561	0.9
109.10188	2.2
111.08116	0.8
117.07072	0.5
119.08617	2.2
121.10164	2.4
123.08124	0.5
123.11734	0.8
127.03947	1.5
129.07040	0.8
131.08612	1.2
132.09059	0.4
133.10165	1.6
135.11705	1.8
143.68347	0.4
145.10172	1.4
147.11697	0.7
149.13228	0.5
163.11168	2.0
181.12222	0.4
184.07362	0.6
185.04314	0.6
193.12292	1.1
207.90083	0.4
211.13272	1.9
212.13699	0.7
243.08513	2.6
249.10938	0.5
267.16080	1.0
268.16339	0.4
271.39056	0.4
283.15594	0.7
285.17014	1.4
286.17490	1.3
335.25909	0.5
337.27304	2.3
338.27716	2.4
467.18942	7.4
467.25171	0.5
519.29266	3.9
530.39374	0.9
547.39972	1.6
548.40338	7.4
745.41351	100.0
746.41681	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	746.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82170	0.2
56.05025	0.4
58.06576	1.0
59.07401	0.5
60.07886	0.4
60.08171	5.4
67.05503	0.8
69.07084	0.2
69.93034	0.7
70.94407	0.2
71.07385	2.5
77.35246	0.2
79.05508	0.5
81.07086	0.9
81.90346	0.2
85.02904	0.4
86.09715	26.5
87.10059	0.2
91.05486	0.4
93.07051	0.5
95.08610	0.6
97.02895	0.3
98.98484	2.0
104.10760	1.8
105.07002	0.3
107.08594	0.2
109.10191	0.2
121.10162	0.5
125.00022	16.6
133.10130	0.2
135.11662	0.3
151.85899	0.2
170.10696	0.2
184.07359	100.0
185.07690	0.6
194.49451	0.2
219.75948	0.2
222.08984	0.3
271.15341	0.3
282.10834	0.3
421.42111	0.2
561.33575	0.4
687.37140	0.3
746.45929	5.2
747.42902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01867	1.6
55.05514	21.0
57.03440	13.0
57.07082	7.0
65.03944	1.6
65.17292	0.6
67.05509	25.8
69.03419	3.7
69.07072	26.8
69.25668	2.4
69.26087	3.4
71.05000	3.0
71.08627	2.4
73.02913	1.2
73.38861	0.5
77.03937	0.6
79.05496	19.8
81.03422	42.1
81.07061	28.6
83.04988	11.9
83.08623	28.0
85.02908	18.4
85.06550	1.5
85.10185	1.7
86.09711	0.6
87.04473	0.6
89.06023	0.6
91.03950	1.3
91.05482	20.1
92.94813	0.5
93.07050	15.8
95.04976	17.5
95.08616	22.2
95.09232	1.1
97.02901	3.2
97.06544	4.7
97.10178	11.1
99.08092	1.4
105.07034	14.5
107.04956	5.3
107.08598	7.8
109.06537	2.9
109.10162	9.3
111.04462	1.4
111.08084	7.2
111.11721	2.4
113.06038	2.0
115.05521	0.9
117.07030	0.8
119.04926	0.7
119.08594	11.3
121.06500	1.4
121.10149	11.6
123.08088	2.0
123.11682	3.3
125.09644	1.6
127.03881	0.5
129.07014	7.3
131.08578	7.3
133.06503	1.4
133.10139	7.7
135.11687	4.1
135.65349	0.6
137.09630	1.7
137.13275	0.9
139.11258	0.7
142.07790	1.4
143.81598	0.6
145.10117	1.0
147.08061	1.9
147.11693	10.0
149.09625	4.6
149.13274	2.3
157.10132	9.1
163.14813	0.8
165.12788	2.3
175.11197	11.0
184.07378	2.1
193.12253	32.2
211.13303	53.1
220.85289	0.5
265.25378	1.8
267.15939	15.6
285.16974	66.7
339.28958	65.8
340.29367	1.7
401.17767	0.6
531.40521	14.9
549.41534	100.0
550.42004	3.2
746.43500	3.8
747.41638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01877	2.7
55.05507	2.3
57.03421	2.6
61.02929	4.5
67.05500	3.8
69.03429	33.4
69.07063	3.1
71.04996	2.6
73.02910	5.1
75.50053	1.4
76.55647	1.7
79.05502	2.7
81.03424	51.2
81.07042	3.1
85.02430	2.8
85.02909	43.2
88.80008	1.8
91.03951	5.8
91.05486	3.2
93.07028	3.8
94.12473	1.8
95.01331	4.9
95.08592	3.2
97.02898	75.2
99.04450	9.1
101.02381	1.8
103.03925	4.3
105.07006	2.8
107.08564	3.6
109.02888	97.9
109.10147	2.1
113.02267	1.8
115.03957	2.5
119.08606	2.2
124.58330	1.6
127.03920	71.0
133.10161	2.1
139.03865	4.9
141.01826	9.5
145.04959	10.2
163.06075	4.9
169.04990	22.8
184.07414	1.6
187.06023	43.9
187.14824	2.6
189.16429	3.0
205.07121	2.9
219.05138	2.3
229.07137	17.8
241.19553	2.2
247.08144	100.0
267.08911	2.3
280.99854	1.9
285.10086	2.2
363.09164	6.4
405.10309	5.3
477.38138	2.2
655.27808	2.7
746.39801	5.0
747.34369	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	747.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01863	0.4
55.05513	1.5
57.03440	2.2
59.04983	0.1
61.02929	6.8
65.03928	0.2
67.05505	4.9
69.03430	3.8
69.07069	1.5
71.01343	0.6
71.04991	0.8
71.54575	0.2
73.02917	4.6
75.04504	0.1
79.05493	3.7
81.03420	2.9
81.03806	0.1
81.07059	5.9
83.01347	0.2
83.08626	1.0
85.02907	7.2
85.06560	0.1
86.09712	0.2
87.04454	0.6
91.03957	4.0
91.05475	2.7
93.07043	3.7
95.04967	1.0
95.08608	4.3
97.02891	5.7
97.06533	0.4
97.10184	0.2
99.04448	1.3
100.30636	0.1
101.02389	2.0
103.03967	0.4
105.04575	0.2
105.07032	1.8
107.04918	0.3
107.08594	2.3
109.02884	0.9
109.06521	0.3
109.10162	1.5
111.04387	0.2
111.08083	0.4
113.05991	0.1
115.03937	0.6
117.07025	0.4
119.08581	1.7
121.06518	0.1
121.10148	2.0
123.08105	0.2
123.11725	0.5
125.00008	0.1
127.03921	1.9
129.05499	0.3
129.07019	0.5
131.08553	1.1
133.10129	1.3
135.11717	1.0
137.13277	0.1
143.03273	0.1
145.04993	0.4
145.10107	0.6
147.11716	1.1
147.37386	0.1
149.09641	0.2
149.13283	0.5
157.10168	0.5
159.11774	0.2
161.13284	0.2
163.11259	0.2
163.14865	0.2
173.13280	0.2
175.11230	0.4
183.06548	0.1
184.07323	0.8
185.04265	0.6
185.07819	0.1
193.12263	0.5
196.92554	0.1
201.16470	0.1
203.05281	0.6
211.13362	0.2
243.08438	2.3
243.10768	0.2
251.12517	1.4
261.22076	0.2
261.84723	0.1
269.12402	0.1
284.42023	0.1
307.15329	0.3
308.81259	0.1
329.35898	0.1
335.25836	0.8
373.60062	0.1
378.62881	0.2
398.64767	0.1
469.20447	4.5
519.29321	7.7
520.30035	0.3
747.42871	100.0
748.43219	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.97192	0.3
55.01860	0.5
55.05509	0.7
57.03448	1.6
59.57715	0.3
61.02931	4.6
61.39104	0.3
63.52515	0.3
67.05502	4.5
69.03429	2.8
69.07072	0.7
70.29774	0.3
71.01354	0.6
71.04994	0.6
73.02922	3.3
79.05496	2.9
81.03414	3.0
81.07063	3.6
83.08626	0.8
85.02911	5.2
87.04462	0.3
90.74458	0.3
91.03963	2.9
91.05495	2.4
93.07051	2.3
95.04980	1.5
95.08604	2.3
97.02893	4.0
97.47935	0.3
98.21503	0.8
99.04486	0.9
99.48935	0.3
100.25394	0.3
101.02383	1.8
103.03951	0.4
105.07042	1.8
107.04953	0.3
107.08608	1.2
109.02883	0.8
109.10164	0.8
111.04471	0.4
111.08105	0.5
117.07003	0.4
119.08609	1.3
121.10159	1.4
127.03922	1.3
129.07027	0.6
131.08607	0.8
133.10152	1.2
135.11761	0.8
145.04955	0.4
145.10229	0.3
147.11739	1.0
157.10202	0.5
159.11620	0.4
175.11177	0.7
184.07457	0.7
185.04248	0.7
193.12309	0.9
211.13399	0.4
243.08435	2.2
251.12634	1.1
307.15195	0.4
321.94867	0.3
335.25882	0.7
469.20462	8.3
469.27197	0.6
519.29364	4.4
557.91425	0.4
747.42920	100.0
748.43164	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	747.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19649	0.4
53.03699	0.4
53.03945	1.4
55.05511	3.9
57.03438	2.8
57.07069	1.9
61.02931	22.2
65.03926	0.7
67.05230	0.4
67.05513	5.1
68.92912	0.4
69.03439	5.1
69.07072	9.3
69.33429	0.4
69.33730	3.7
71.01361	2.1
71.04979	0.7
73.02561	0.6
73.02924	7.6
77.03924	0.5
79.05495	5.3
81.03421	2.4
81.07060	20.7
83.08623	3.0
85.02911	35.7
91.03965	15.7
91.05483	7.0
93.06477	0.7
93.07051	14.3
95.00760	0.7
95.01334	11.0
95.04958	0.6
95.08614	22.7
97.02897	19.6
97.10167	2.0
99.00816	0.9
99.04442	1.4
101.02381	1.2
103.03942	1.0
105.04475	0.8
105.07032	11.4
107.08601	22.3
109.02882	1.3
109.09464	0.8
109.10160	11.0
111.11723	0.8
113.02370	4.7
115.03926	1.7
115.05456	0.5
117.07024	2.3
118.62227	0.5
119.08593	14.4
121.10147	13.8
123.00829	0.7
123.11732	5.4
127.03925	9.7
128.06248	0.6
129.07021	1.6
131.03394	1.7
131.08574	10.1
133.10130	11.6
135.11710	8.8
137.13277	4.8
141.01834	31.5
141.06944	0.5
142.07787	1.0
143.08551	4.9
144.09334	0.7
145.04979	8.9
145.10123	14.3
147.11697	12.8
149.13271	20.4
151.14809	0.7
155.08572	2.3
156.09364	0.9
157.10130	6.6
158.10889	0.9
159.02863	4.5
159.11699	10.5
160.12323	0.6
161.13246	6.7
163.06039	10.0
163.14832	30.0
169.10143	2.7
170.10860	0.8
171.11708	5.4
173.13269	6.4
175.14832	11.0
177.03970	1.0
177.16408	10.7
183.11732	3.0
184.01514	0.5
185.13284	5.5
187.14836	23.0
189.16393	21.3
191.17969	4.3
197.13194	2.3
198.14131	0.5
199.14824	6.5
201.16400	13.1
203.17950	10.7
203.19757	0.9
209.13165	0.5
211.14864	2.4
213.16396	6.9
215.17964	12.6
215.19914	0.9
217.19559	2.9
219.17325	0.5
223.14993	0.5
225.16402	2.4
227.17964	6.3
228.18758	0.6
229.19489	7.1
231.20882	0.5
237.16431	0.8
239.17932	3.7
240.18480	0.5
241.17299	0.3
241.19511	9.9
243.21098	4.6
251.17996	0.5
253.19522	12.5
255.21098	15.5
257.22687	4.5
265.19498	0.7
267.21066	8.2
269.22656	5.7
277.19547	0.5
279.21115	1.0
281.22751	2.9
283.24545	0.4
285.22192	0.6
293.22916	0.5
295.24231	2.2
307.24210	1.6
309.25806	0.6
321.25821	1.5
333.25555	0.5
335.27319	1.6
339.09229	0.4
348.28305	0.8
349.29141	0.9
391.33606	100.0
392.34030	2.7
409.34723	8.5
464.76718	0.5
567.37305	0.6
585.37982	2.9
623.30865	1.4
725.64716	0.5
747.43542	5.7
748.43732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01849	1.2
55.05509	4.8
56.79150	0.8
57.03424	3.4
57.07080	1.3
58.74899	0.9
61.02651	1.1
61.02930	18.3
65.03938	1.2
67.05505	7.8
69.03430	5.4
69.07069	8.0
70.06581	0.8
71.01338	3.2
71.04984	2.1
73.02921	6.1
75.04491	1.1
75.66688	0.9
75.67435	0.8
78.17491	1.0
79.05495	6.5
81.03432	5.2
81.06598	1.1
81.07062	20.9
82.98513	0.8
83.08615	5.1
85.02911	37.1
87.04487	1.2
88.09972	0.8
91.03961	14.8
91.05476	8.0
93.07047	13.5
95.01336	8.8
95.04942	1.2
95.08611	22.8
97.02303	0.9
97.02898	17.8
97.10139	1.7
99.00843	1.3
99.04454	2.4
101.02364	2.0
103.03909	1.4
105.07040	11.9
107.04985	0.8
107.08600	23.1
109.02836	1.8
109.06481	1.0
109.10149	11.7
111.04429	1.5
113.02368	3.1
114.46830	0.8
115.03901	1.9
115.05438	1.3
116.06210	0.8
117.07027	2.5
119.08582	13.5
121.10141	15.0
123.04369	1.4
123.11703	6.0
127.03923	7.6
128.06186	0.9
129.07021	2.5
131.03395	2.3
131.08559	8.9
133.10135	11.1
135.11681	7.3
137.05910	0.8
137.13248	3.8
139.03877	1.2
141.01837	26.7
142.07770	1.4
143.08586	4.8
145.04962	8.7
145.10144	11.2
147.04419	1.5
147.11684	13.9
149.09618	1.3
149.13261	16.0
152.95953	1.0
155.08563	2.0
156.09219	1.2
157.10097	5.6
158.12256	0.9
159.02919	4.1
159.11691	9.0
161.13229	5.5
163.03961	1.1
163.06003	9.6
163.07268	1.5
163.14833	28.0
165.12711	1.1
169.10127	2.0
169.42499	0.9
170.10919	1.2
171.11711	4.5
173.13272	6.0
175.03777	1.1
175.14833	11.1
177.16377	9.8
182.10944	1.1
183.11743	2.5
185.04272	1.1
185.13231	4.0
187.14833	20.3
189.08998	1.1
189.16411	14.2
191.17957	4.5
193.12308	1.4
199.14822	4.6
201.16380	10.9
203.17955	8.6
210.14833	1.1
211.14799	1.4
213.16342	5.9
215.18010	11.0
217.19479	2.6
221.13301	0.9
225.16420	4.0
227.17947	5.5
229.19531	8.3
237.16298	1.1
239.17924	3.5
241.19496	7.6
243.21077	3.9
253.19531	10.1
255.18672	1.4
255.21104	14.0
257.22705	3.3
267.21063	7.8
269.22787	4.7
281.22653	1.7
283.15262	1.6
285.22302	1.3
295.24188	2.8
301.08969	2.4
302.09222	2.2
307.24271	2.0
321.25955	1.2
349.28683	1.2
386.18649	1.2
391.33597	100.0
392.33945	1.6
409.34738	8.9
469.20413	1.6
501.22821	2.3
502.23215	2.1
503.23322	3.0
531.23224	2.8
575.25525	1.4
585.37506	2.6
643.31744	1.6
645.33032	1.3
655.28864	1.9
711.30701	2.5
729.32971	5.1
747.36169	54.8
748.36584	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	747.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01864	1.2
55.05513	3.6
57.03437	3.9
57.07075	1.5
61.02930	21.0
61.57154	0.6
65.03934	0.9
67.05508	6.6
69.03139	0.5
69.03436	5.6
69.07068	9.5
71.01358	3.4
71.04996	1.0
71.52432	0.7
71.52827	0.7
73.02919	9.4
78.60613	0.6
79.05486	5.8
81.03418	4.2
81.07063	16.7
83.01322	0.5
83.08629	3.2
85.02907	41.8
91.03961	17.1
91.04961	0.8
91.05479	7.5
93.07040	12.5
95.01330	9.2
95.08611	26.7
97.02293	1.2
97.02897	21.7
97.10152	2.3
98.45245	0.6
99.00806	1.0
99.04456	2.3
101.02357	1.5
103.03924	1.3
105.07032	13.1
107.07866	1.2
107.08598	21.5
109.02849	1.4
109.10164	14.2
111.11671	0.8
113.02361	4.4
115.03922	1.6
115.05446	0.6
116.06264	0.7
117.07026	3.0
119.08581	15.5
121.09321	1.1
121.10148	15.2
123.00842	0.6
123.11697	6.7
126.40430	0.6
127.03918	7.9
128.06221	0.8
129.06967	3.1
131.03432	2.7
131.08571	15.9
133.10133	11.6
134.14970	0.5
135.11708	8.5
137.13272	5.8
139.03850	0.8
141.01828	31.7
141.07002	1.1
142.07779	1.1
143.08565	5.0
144.09270	0.6
145.04973	10.0
145.10127	18.7
147.11691	10.3
149.13257	12.4
151.14807	1.4
155.08551	2.5
156.09328	0.9
157.10114	5.3
158.10843	0.9
159.02890	5.0
159.07924	0.7
159.11697	10.9
160.12460	0.8
161.13271	7.6
163.06032	10.5
163.14835	24.0
169.10129	4.4
170.10861	1.2
171.11696	5.6
172.12491	0.6
173.13260	8.2
175.14819	9.8
177.14830	0.8
177.16388	15.2
181.10184	1.2
182.11028	1.0
183.11729	3.6
185.13278	5.0
187.14832	44.9
188.15230	0.5
189.16385	47.5
190.16698	0.9
191.17978	6.8
195.11713	1.1
196.12560	0.7
197.13237	3.7
199.14806	6.9
201.16386	17.2
203.17990	7.9
211.14839	2.5
213.16354	7.5
215.17969	9.5
217.19537	6.5
223.14778	0.9
225.16426	4.0
227.17946	6.8
229.19490	7.2
237.16223	0.8
239.17967	5.5
241.19505	8.8
243.21094	4.0
253.19521	25.7
254.20038	0.7
255.21107	11.8
257.22668	8.3
265.19635	0.7
267.21085	9.1
269.22614	6.9
279.21158	1.0
281.22720	2.2
293.22565	0.7
295.24130	3.2
307.24213	2.6
309.25586	0.9
321.25845	1.2
335.27319	1.2
341.78827	0.6
348.27884	0.7
349.29016	1.6
376.38983	0.7
391.33591	100.0
392.33948	3.3
409.34683	7.0
438.82803	0.6
585.37469	2.0
655.29071	0.9
657.34290	1.6
667.56915	0.6
729.32922	1.3
747.44580	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	747.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	2.1
54.46089	0.5
55.01895	1.3
55.05508	4.5
57.03467	2.9
57.07093	1.7
61.02926	18.1
65.03984	0.9
67.05503	7.0
69.03428	6.5
69.07077	7.7
71.01385	2.5
71.05003	1.2
73.02916	8.4
74.09743	0.7
75.17192	0.6
79.05492	7.1
81.03011	1.0
81.03397	4.3
81.07056	16.7
83.01385	1.0
83.08624	3.1
83.73823	0.7
85.02908	36.5
91.03956	14.8
91.05461	6.5
93.07044	12.9
95.01335	9.9
95.01855	0.7
95.04973	1.5
95.08607	21.3
97.02887	18.3
97.06560	1.1
97.10212	1.6
99.00843	1.5
99.04498	1.7
101.02443	2.3
103.03964	1.8
103.05459	0.6
105.07033	10.2
107.05022	0.7
107.08598	19.1
109.02919	1.9
109.10155	10.9
109.10806	0.8
113.02357	4.3
115.03988	2.2
117.07063	2.3
119.08580	15.5
121.10150	13.7
123.08118	0.9
123.11698	5.3
125.09728	0.8
125.96217	0.7
127.03903	8.9
129.07068	1.7
131.03468	1.8
131.08557	6.9
133.10126	10.6
135.11685	7.7
137.13261	4.2
139.03906	1.5
141.01826	29.2
143.07558	1.0
143.08539	5.4
144.09425	0.7
145.04961	7.0
145.10103	11.6
147.04482	0.7
147.11690	12.6
149.09676	1.1
149.13258	18.8
151.14810	0.7
155.08617	2.0
157.10123	5.5
158.10933	0.7
159.02910	4.4
159.11690	8.8
161.09851	0.7
161.13275	5.6
163.03923	1.1
163.06026	9.7
163.07410	0.8
163.11307	0.8
163.14821	27.3
168.42871	0.6
169.10202	2.4
170.10898	0.8
171.11639	4.9
172.12524	0.9
173.13254	6.0
175.03947	0.7
175.14844	10.9
177.16380	11.2
177.17799	0.8
183.11795	2.4
185.04207	0.8
185.13246	3.9
187.14815	18.6
189.16388	16.9
191.17955	3.6
197.13330	1.8
199.14784	4.2
201.16376	12.9
203.17964	9.9
203.19730	0.9
209.13368	0.6
211.13104	0.7
211.14757	3.1
213.16383	7.0
215.17978	11.0
217.19641	2.1
223.14943	1.0
225.16484	3.0
227.17961	7.6
229.19502	5.4
231.21228	0.6
237.16447	0.9
239.17986	3.6
241.19519	8.4
243.21068	4.6
253.19489	10.2
255.21092	14.0
255.23619	1.1
257.22644	3.6
267.21088	8.8
269.22665	4.5
279.21204	0.8
281.22720	2.1
283.15353	1.1
284.15610	1.3
295.24228	2.0
301.09079	1.9
302.09372	1.1
303.09509	1.3
309.25989	0.8
320.01230	0.7
333.25885	0.9
335.27255	0.8
349.29031	0.8
374.11203	0.8
382.19128	0.7
386.18463	0.9
391.33585	100.0
392.33890	1.8
409.34726	6.6
423.32071	0.8
427.19409	1.0
428.19757	0.9
469.20343	1.0
501.22592	1.8
502.23346	1.3
503.23633	2.9
529.22272	0.8
530.22870	1.2
531.23108	1.8
573.24854	0.7
575.25739	2.4
585.38074	3.0
643.32465	0.7
645.33087	1.5
655.28540	0.9
673.30396	0.9
687.33844	0.9
711.30414	0.9
729.33160	1.9
747.35889	33.3
748.36224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01870	1.2
55.05510	5.5
57.03437	4.3
57.07076	2.0
61.02930	22.7
65.03932	1.1
67.05502	8.0
68.65789	0.8
69.03439	6.5
69.07063	11.3
71.01336	3.6
71.04978	1.2
71.08598	0.9
71.52519	1.0
73.02920	9.7
79.05508	5.5
80.05024	0.8
81.03425	3.9
81.07060	22.4
83.04934	1.3
83.08619	4.1
85.02909	44.0
89.88806	0.8
91.03959	18.0
91.05486	8.0
93.07052	14.5
95.01334	12.7
95.08611	28.8
97.02298	1.1
97.02900	22.0
97.10152	2.4
99.00816	1.6
99.04461	2.2
101.02367	1.7
103.03940	1.3
105.07027	13.4
107.08596	25.4
109.02879	1.9
109.10162	14.2
111.08159	0.9
111.11720	0.9
113.02396	4.9
115.03948	1.4
117.06995	2.8
119.08585	18.0
121.10146	15.9
123.11721	6.1
127.03921	11.1
129.07007	2.8
130.07787	1.1
131.03395	1.7
131.08580	15.0
133.10141	13.6
135.11684	9.7
137.13281	6.3
139.04008	0.8
141.01836	35.4
141.06973	1.4
142.07684	1.0
143.08562	4.8
144.09302	1.2
145.04953	9.7
145.09044	1.6
145.10129	21.3
147.11700	14.5
149.13271	18.0
151.14821	1.1
153.06961	0.9
155.08578	3.4
156.09438	1.2
157.10150	7.8
158.10861	1.1
159.02879	6.4
159.11703	11.7
161.13271	8.1
163.06029	12.2
163.14821	29.0
169.10130	5.0
171.11690	6.9
172.12479	1.2
173.13274	9.3
175.03859	1.0
175.14825	10.7
177.16400	13.7
179.14462	1.0
183.11708	4.1
184.12360	0.9
185.13251	5.5
187.14832	43.3
189.16396	41.5
191.17979	8.3
192.18307	0.9
197.13274	3.0
199.14824	6.5
201.16400	17.8
203.17961	9.3
211.14886	1.9
213.16437	8.0
215.17938	11.6
217.19550	4.8
223.14854	1.4
225.16368	3.5
227.17978	9.6
229.19530	8.3
239.18013	4.5
241.19511	9.1
243.21138	4.4
253.19528	23.8
255.21112	14.0
257.22659	7.7
267.21091	11.7
269.22623	6.8
276.99924	1.0
279.21078	1.2
281.22620	2.9
293.22580	1.1
295.24210	2.5
307.24011	1.9
309.25464	1.0
321.25681	2.1
335.27319	1.3
349.29126	1.6
391.33603	100.0
392.33865	2.6
409.34702	8.1
585.37518	3.4
643.32391	1.8
655.28564	2.7
664.16962	1.0
729.32745	4.3
747.32318	3.0
747.42255	6.2
760.38177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
55.01612	0.2
55.01860	0.5
55.05511	0.4
55.65432	0.2
57.03441	11.5
58.30719	0.3
59.04983	0.3
61.02932	3.2
65.03941	0.9
67.05495	0.7
69.03433	18.2
69.17746	1.1
69.18172	1.5
71.01077	0.2
71.01360	2.4
71.04598	0.4
71.04993	5.9
73.02921	23.3
75.04469	1.0
79.05508	0.6
81.03410	0.7
81.07051	0.6
83.04991	2.1
85.02908	17.6
87.04480	1.4
91.05489	4.5
93.03396	0.4
93.07033	0.4
95.04968	0.9
95.08618	0.6
97.02899	8.8
97.06512	0.3
99.04471	0.5
101.06005	0.3
103.03421	0.3
103.03949	7.3
103.05451	1.0
103.99661	0.2
104.05821	0.3
105.07045	1.0
106.04166	0.3
107.04971	0.6
107.08592	0.4
108.05304	0.3
109.02839	0.7
109.06568	0.3
109.10175	0.3
111.04471	1.9
113.02385	0.5
113.06018	1.2
115.03939	8.8
115.05326	0.4
117.07036	0.2
119.04951	11.5
121.06499	0.9
121.10149	0.4
121.29771	0.2
122.06863	0.3
123.04432	0.4
125.06019	0.3
127.03920	3.5
129.05487	4.4
131.03421	0.2
131.04945	0.8
131.08656	0.2
133.04967	2.4
133.06477	0.4
133.10167	0.4
137.06007	0.9
138.09222	0.3
145.04977	0.5
145.06529	0.4
145.10068	0.3
147.04416	100.0
148.04752	1.2
149.04465	8.7
149.05925	1.1
149.09576	0.2
151.03880	0.4
151.07492	0.3
153.05504	0.3
154.04561	0.2
159.08060	0.4
161.06026	0.5
163.03970	0.3
163.07550	0.9
165.05484	5.0
165.06860	0.4
166.08665	0.6
167.07060	2.8
168.07381	0.6
168.33298	0.2
169.04988	1.6
171.06517	0.3
173.05977	0.3
175.06023	1.4
175.07532	0.5
177.05502	1.1
178.05873	0.3
179.07030	0.3
181.04984	3.0
181.08571	0.7
182.05292	0.9
187.07477	0.3
191.07019	2.7
192.07442	1.1
193.04965	0.2
193.08720	0.3
197.64284	0.2
205.08688	0.3
207.06520	0.4
209.08084	3.6
210.08455	1.0
219.10229	0.3
223.04222	0.5
224.04646	0.3
225.07573	1.0
231.06544	0.3
243.08606	0.6
255.08784	0.3
263.09198	0.9
264.09406	0.7
273.07553	0.3
275.09216	0.6
279.08310	0.4
279.11066	0.3
283.92963	0.3
291.08658	4.9
293.10190	1.1
309.09689	18.4
385.12775	0.3
417.15439	0.5
418.16104	0.6
419.13177	0.3
455.15851	0.3
583.55878	0.3
707.51965	0.3
749.22815	0.3
749.35138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05497	0.3
57.03438	12.0
58.68421	0.2
59.05001	0.3
61.02649	0.2
61.02930	3.4
64.85931	0.2
65.03939	0.3
67.05495	0.4
69.03432	18.2
69.07068	0.3
69.52915	1.3
71.01362	1.8
71.04994	5.9
73.02919	23.5
75.04483	1.1
79.05478	0.4
81.03416	0.6
81.07069	0.3
83.04984	2.1
85.02908	16.4
87.04469	1.6
91.05479	3.1
93.07050	0.3
95.04967	0.6
95.08586	0.3
97.02895	8.0
97.06532	0.3
99.04447	0.4
103.03947	7.8
105.07006	0.4
107.04948	0.3
109.02889	0.6
109.10181	0.2
110.47961	0.2
111.04424	1.4
113.02386	0.5
113.06026	1.0
115.03931	9.0
119.04945	9.8
119.08618	0.4
123.04441	0.4
127.03929	3.0
129.05484	4.4
131.03409	0.4
131.04883	0.2
133.04970	2.7
137.05974	1.2
139.03894	0.3
145.04982	0.4
147.04411	100.0
148.04768	1.0
149.04459	9.4
151.03899	0.3
157.05034	0.2
163.06009	0.2
163.07532	0.2
165.05481	5.1
167.07047	1.0
169.04976	1.7
169.06274	0.3
171.06514	0.2
175.06038	1.1
189.08987	0.2
219.10046	0.3
225.07523	0.9
231.06494	0.3
243.08571	0.3
261.07495	0.3
275.09283	0.5
279.08484	0.4
291.08585	4.7
291.11600	0.3
293.10376	1.1
309.09683	18.2
310.10086	0.3
358.82034	0.2
365.72519	0.2
455.15079	0.2
464.84430	0.2
642.36395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05509	1.9
57.03424	2.0
61.02927	3.6
62.61530	0.5
67.05511	4.6
69.03424	2.6
69.07063	2.4
71.04980	0.8
73.02914	2.9
79.05505	4.6
81.03432	2.9
81.07059	4.5
83.04977	1.3
83.08620	0.6
85.02906	3.9
87.28604	0.4
91.03966	2.6
91.05493	2.9
93.07052	4.5
95.04958	0.8
95.08609	2.1
95.62135	0.5
97.02871	4.1
97.06559	0.8
97.10194	0.8
98.20708	0.9
99.04461	1.1
101.02378	1.6
105.07034	1.7
107.04951	0.6
107.08581	3.4
109.02856	0.6
109.10145	1.1
111.08073	0.7
117.07023	0.7
119.08585	1.6
121.06563	0.5
121.10168	0.6
127.03918	1.1
131.08606	0.5
133.10139	1.1
135.11713	4.1
145.10158	1.4
149.13258	0.8
181.12282	0.8
184.07458	0.4
185.04227	0.6
194.15866	0.4
221.11568	1.1
243.08339	3.0
255.16029	0.9
271.80972	0.4
333.20441	2.0
389.22971	0.8
408.75204	0.5
439.19418	11.9
453.21341	0.7
551.28210	6.4
587.34930	0.5
749.40820	100.0
750.40814	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	749.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
57.03451	1.0
58.72953	0.8
60.86705	0.6
61.02924	4.6
67.05499	6.2
69.03419	2.8
69.07069	2.4
71.54045	0.9
73.02918	3.3
79.05486	5.7
81.03414	2.8
81.07053	5.2
81.31196	0.6
83.04977	1.3
83.08641	0.8
84.77811	0.8
85.02906	5.0
85.06594	0.8
88.02910	0.7
91.03951	2.1
91.05499	3.2
93.07040	4.8
95.04955	0.7
95.08601	2.4
97.02904	4.4
97.06516	1.5
97.10192	1.4
101.02392	1.6
105.07043	2.3
107.04971	0.9
107.08608	3.1
109.02892	1.2
109.10177	1.0
111.08120	0.7
119.08605	2.6
120.70573	0.7
121.10149	1.8
127.03923	1.7
128.81133	0.7
130.43224	0.7
133.10153	1.4
135.11699	4.3
145.10135	1.5
155.20146	0.9
203.05295	0.7
243.08467	2.8
272.79309	0.7
286.84790	0.8
333.20364	1.5
439.19446	10.7
453.21008	1.2
551.28296	5.5
587.35718	1.2
605.35669	0.8
749.40759	100.0
750.40851	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	749.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88128	0.1
53.03938	0.7
55.01880	0.3
55.05510	1.2
57.03435	2.2
57.07076	0.5
60.55581	0.1
61.02929	6.0
65.03931	0.2
67.05505	6.2
69.03432	3.1
69.07079	1.1
71.01347	0.5
71.04993	1.9
71.08617	0.3
73.02920	3.7
75.04492	0.2
79.05495	3.4
81.03419	2.9
81.07059	4.6
81.07526	0.3
83.04975	0.5
83.08624	0.7
85.02907	6.6
85.10170	0.2
86.09681	0.2
87.04441	0.5
91.03957	4.0
91.04524	0.3
91.05479	2.2
93.07046	4.2
95.04989	0.8
95.08606	4.0
97.02892	4.8
97.06544	0.6
97.10184	0.3
99.04449	1.0
101.02382	1.9
103.03954	0.4
105.07024	1.1
107.04967	0.4
107.08592	2.3
109.02898	1.2
109.06558	0.3
109.10157	2.9
111.08091	0.3
115.03894	0.3
117.07021	0.4
119.08587	1.5
121.10147	1.6
123.11743	0.5
127.03915	1.7
129.05473	0.3
129.06981	0.2
131.08604	0.7
133.10139	0.9
135.11674	1.6
137.09637	1.1
145.04955	0.3
145.10178	0.5
147.11751	0.5
149.13277	0.3
155.10614	0.2
157.10144	0.2
159.11697	0.2
161.13347	0.2
162.68065	0.2
163.11195	0.2
173.11728	0.4
173.13297	0.2
175.11087	0.2
181.12257	0.2
184.07368	0.6
185.04240	0.6
185.75792	0.2
193.12303	0.7
203.05322	0.6
223.62645	0.2
243.08408	3.0
243.16055	0.3
251.12576	0.2
253.14162	1.9
261.22134	0.2
267.15933	0.8
300.77240	0.2
305.81033	0.1
309.16812	0.3
313.27353	0.9
329.11182	0.2
335.26004	0.5
400.83707	0.2
427.19427	0.3
439.19720	0.4
469.20587	1.0
471.22061	4.2
505.38925	0.4
519.29340	7.0
519.37122	0.4
521.30890	0.9
561.21906	0.2
587.39490	0.3
632.41895	0.2
749.44434	100.0
750.44751	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	749.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65893	0.5
52.74706	0.4
53.03933	0.9
54.58614	0.5
55.01868	0.7
55.05519	2.4
57.03428	1.8
57.07057	0.6
57.76001	0.4
61.02928	5.2
67.05505	6.6
69.03436	3.6
69.07071	2.9
71.01350	0.6
71.08605	0.9
71.54161	0.7
73.02916	4.7
79.05482	2.8
81.03426	4.4
81.07064	7.5
83.04986	0.7
83.08617	2.1
85.02906	6.3
86.09708	1.5
87.04453	0.5
91.03960	4.1
91.05474	2.4
93.07019	2.7
95.04980	1.2
95.08611	5.2
97.02897	5.1
97.06551	0.8
97.10179	1.5
99.04449	1.1
101.02361	1.6
103.03930	0.6
105.07043	1.8
107.08594	1.5
109.02847	1.2
109.10146	2.4
119.08590	1.9
121.10170	0.9
123.11743	0.7
124.99983	1.5
127.03924	2.0
131.08568	0.8
133.10165	1.1
135.11705	1.3
143.08722	0.5
147.11702	1.4
157.10175	0.6
161.13391	0.7
173.04428	0.5
184.07346	7.0
185.04305	1.3
185.07693	1.2
193.12283	1.2
243.08485	2.0
251.12602	1.7
267.15881	2.8
269.26251	0.5
270.26437	0.5
279.29556	0.5
282.33749	0.5
311.25925	1.2
313.27512	1.1
321.65445	0.4
337.27405	1.0
469.20517	4.0
503.37500	1.1
521.30890	7.1
731.31128	0.6
749.44434	100.0
750.44550	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	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01872	0.5
55.05515	2.1
57.03442	2.8
57.07085	1.7
61.02934	5.0
65.03966	0.6
67.05509	5.3
68.90243	0.4
69.03443	2.9
69.07063	2.1
70.46839	1.2
71.01362	0.4
71.05010	0.8
71.08635	1.0
73.02921	4.1
79.05511	3.0
81.03424	6.8
81.03858	0.5
81.07062	6.7
83.05009	0.9
83.08633	2.1
85.02915	6.4
86.09708	0.8
87.04470	0.6
91.03968	3.5
91.05479	3.1
93.07054	3.6
95.04965	2.2
95.08608	4.5
97.02895	4.9
97.06525	0.5
97.10187	1.3
99.04477	1.1
101.02402	1.9
103.03967	0.6
105.07034	3.0
107.08627	1.2
109.02902	1.1
109.06551	0.5
109.10137	1.7
111.04450	0.4
111.08136	1.0
115.03882	0.4
117.07046	0.3
119.08618	1.6
121.10177	1.8
123.11731	0.9
125.09689	0.4
127.03902	1.8
129.07011	1.3
131.08589	1.2
133.10188	1.5
135.11751	0.8
145.10118	0.6
147.08142	0.5
147.11755	1.1
149.09648	0.7
150.21626	0.4
157.10156	1.4
175.11240	0.7
184.07359	3.8
185.04243	1.0
185.07683	0.6
193.12302	2.3
200.69188	0.3
202.48584	0.3
210.81110	0.4
243.08408	2.2
251.12625	0.8
267.15912	5.0
275.20233	0.8
311.25836	3.3
313.27301	2.3
337.27560	0.7
405.85980	0.4
469.20523	7.7
503.37473	1.6
505.39044	1.4
521.30963	4.2
521.38171	0.5
559.74292	0.5
587.46661	0.6
691.40283	0.6
736.93695	0.4
749.44489	100.0
750.44977	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	750.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01870	1.5
55.05274	1.0
55.05515	11.8
57.03438	12.0
57.07075	6.0
61.02933	6.1
61.54996	0.8
65.03948	1.5
67.05175	1.5
67.05508	22.1
69.03436	3.2
69.06731	1.1
69.07076	17.9
71.01386	1.0
71.05008	2.3
71.08631	3.4
71.54234	1.0
73.02916	3.5
76.07603	0.8
79.05498	13.8
81.03419	51.4
81.07056	21.8
82.03754	1.0
82.07417	1.1
83.04999	4.5
83.08615	20.6
85.02929	5.4
85.06547	1.1
86.09699	2.2
87.04453	4.3
91.03969	3.2
91.05482	11.3
93.07052	12.6
95.04977	13.0
95.08614	15.5
96.08931	1.1
97.02916	5.7
97.06534	3.7
97.10163	7.1
99.08137	0.9
101.02392	2.0
102.96641	0.8
105.07029	7.8
107.04971	2.8
107.08611	7.9
109.02893	1.0
109.06512	2.6
109.10136	6.9
110.10482	0.9
111.04433	1.2
111.08101	4.9
111.11753	1.5
115.05534	0.9
119.08575	8.2
121.05737	0.8
121.06552	1.6
121.10135	11.1
123.04395	1.0
123.08086	1.6
123.11728	4.2
124.99957	1.3
125.09617	1.8
127.03957	1.5
129.07034	5.3
131.08591	5.3
133.06541	1.4
133.10097	3.3
134.60971	0.9
135.11711	6.0
137.13298	1.1
139.11215	1.2
142.07838	1.3
145.10121	1.3
147.08072	1.6
147.11671	5.6
149.09589	2.1
149.13283	2.6
157.10104	5.2
163.14980	0.9
165.12825	1.5
175.11151	6.4
177.16452	1.0
184.07390	3.6
185.07692	1.1
185.13382	1.1
193.10487	0.6
193.12244	16.9
193.13878	1.5
205.12250	1.0
207.13884	0.9
211.13379	1.7
213.17534	0.8
219.21101	1.7
237.22263	1.7
243.08481	1.1
249.14975	1.6
253.95271	0.9
259.13181	0.9
267.15924	82.5
268.16290	1.7
311.25815	58.2
313.27371	1.5
339.09439	1.0
360.72516	1.1
393.49692	0.9
429.33670	1.7
469.20639	3.4
470.20844	3.9
503.37357	55.4
504.37698	2.1
521.31207	1.8
521.38373	10.7
522.31213	2.3
545.38507	1.9
750.44824	100.0
751.45453	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	751.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01870	0.5
55.05513	2.1
57.03431	2.5
57.07076	1.3
61.02933	6.0
61.85897	0.4
64.27610	0.4
67.05507	3.2
69.03425	2.8
69.07085	2.5
70.20087	1.4
71.01340	0.5
71.04985	0.4
71.08640	0.7
73.02921	3.8
74.00932	0.4
74.42275	0.4
79.05496	2.2
81.03420	4.8
81.07060	3.9
82.14719	0.4
83.04999	0.8
83.08620	2.6
83.09056	0.5
85.02908	6.6
85.10168	0.7
87.04485	1.1
88.42519	0.4
91.03960	3.5
91.05489	1.9
93.07069	1.6
95.04977	1.7
95.08624	2.9
97.02905	5.2
97.06512	0.5
97.10172	0.9
98.21366	0.7
99.04475	0.9
101.02402	1.7
103.03970	0.5
105.07031	1.4
107.04933	0.5
107.08620	1.1
109.02914	1.1
109.06571	0.5
109.10153	1.5
111.11748	0.6
119.08587	0.9
121.10189	1.7
127.03939	1.7
129.06958	0.6
129.46663	0.4
131.08577	1.0
133.10152	1.3
135.11688	0.8
147.11749	1.3
157.10155	0.7
175.11230	1.1
178.28853	0.5
184.07495	0.4
185.04231	0.8
193.12270	2.2
211.13443	0.9
213.18201	0.5
243.08382	3.0
251.12675	1.2
267.15967	0.6
307.15173	0.7
313.27380	0.7
339.29147	0.8
428.69342	0.4
469.20432	9.3
523.32489	4.0
523.39551	0.6
710.29047	0.5
751.46027	100.0
752.46399	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	752.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05510	6.0
56.01848	1.2
57.03439	7.6
61.02925	1.9
67.05499	12.3
69.03431	3.8
69.07066	5.0
71.05000	2.9
71.54038	1.4
79.05486	12.6
81.03418	52.9
81.07057	14.4
83.04972	9.1
83.08621	15.1
85.02906	8.6
85.06519	1.8
87.04434	1.6
91.05478	19.7
93.07033	10.0
95.04971	21.8
95.08601	9.6
97.02879	3.6
97.06518	2.8
97.10176	3.6
98.97557	1.2
105.07030	13.7
107.04946	3.7
107.08593	8.8
109.06516	4.2
109.10149	5.0
111.04451	2.5
111.08063	6.4
117.07015	2.7
119.08592	13.0
121.06486	2.2
121.10133	5.6
123.08067	2.2
123.11716	1.7
125.09599	2.7
127.03900	1.2
129.07028	7.4
131.08546	8.7
133.06468	3.7
133.10135	8.7
135.11665	1.7
137.09602	3.0
142.07799	1.6
143.05020	1.2
143.08611	1.4
145.10098	3.7
147.04468	1.8
147.08046	3.4
147.11699	10.1
149.09648	3.8
157.10130	12.1
161.09561	1.5
163.11211	2.0
165.12720	1.6
175.11162	9.8
175.14856	1.4
193.12230	30.3
209.18527	1.2
211.13289	28.6
225.12581	1.2
249.14940	1.4
267.15909	100.0
273.14722	2.4
285.09927	1.6
285.16980	39.6
349.21536	2.1
367.22647	7.1
385.23724	8.5
403.24603	2.5
410.18085	1.4
433.25946	7.5
441.26324	6.1
459.27402	74.4
460.27750	2.6
477.28479	58.5
478.28787	1.8
519.29279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01874	8.2
55.05512	9.6
57.03437	2.1
57.07074	0.9
58.59052	0.8
62.25372	0.9
67.05505	21.0
69.03419	1.2
69.07069	12.1
69.66846	0.9
71.04987	1.7
76.02224	1.4
79.05495	23.0
81.03419	5.7
81.06586	1.6
81.07057	26.6
83.04994	5.9
83.08615	3.7
85.06554	1.9
91.05482	29.5
93.06476	1.5
93.07044	22.5
93.07631	1.2
95.01317	3.2
95.04975	7.0
95.08603	15.4
97.06528	18.7
97.10171	3.3
105.04507	1.3
105.07033	32.7
107.04961	6.7
107.08588	7.8
109.06529	2.8
109.10149	5.8
111.08027	1.1
117.07025	7.1
119.08581	18.7
121.06516	1.9
121.10152	4.3
123.08067	2.7
123.11692	1.2
127.07561	0.9
129.07016	3.9
131.08566	8.2
132.85608	0.9
133.10143	17.7
135.08031	1.7
135.11678	3.9
137.09598	1.3
139.11276	0.8
143.08549	3.7
145.10117	6.6
147.08044	1.1
147.11684	13.2
149.09656	4.1
149.13278	2.2
151.11209	1.5
157.10107	1.3
159.11670	3.9
161.09621	1.2
161.13254	4.3
163.11166	3.2
165.09099	1.9
169.10126	1.1
171.11682	6.7
173.13261	1.4
176.97028	1.0
177.12773	1.2
179.14328	5.4
183.11729	1.1
187.11185	2.2
189.12732	1.7
207.13809	3.0
209.11690	1.7
241.14253	1.0
247.20592	0.9
257.19000	2.9
275.20065	34.6
276.13107	1.0
279.15903	3.5
281.17487	24.7
293.21078	2.6
301.16367	1.0
308.09152	1.4
311.25644	2.1
349.23788	14.8
419.13733	0.9
499.34274	0.9
513.16614	0.9
519.36615	2.2
537.36176	2.8
555.36829	100.0
556.36853	3.4
573.37573	1.1
637.60339	0.9
752.41003	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	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01858	0.8
55.05511	6.2
56.36701	0.6
57.03442	12.1
57.07079	26.1
61.02913	0.8
65.03919	0.7
67.05505	10.4
69.03417	1.3
69.07072	6.2
71.04974	0.8
71.08637	20.9
79.05494	5.8
81.03420	51.6
81.06596	1.2
81.07058	15.9
83.04975	2.7
83.08620	17.1
85.02916	0.7
85.06505	0.6
85.09745	0.7
85.10188	10.3
89.06008	1.2
89.56556	0.6
91.04980	0.7
91.05489	8.5
93.07042	3.7
95.04971	14.2
95.08612	15.0
97.02878	1.7
97.06522	1.3
97.10182	4.1
98.20706	1.1
103.07542	1.2
105.07034	6.6
107.04961	3.1
107.08556	2.1
109.06495	1.6
109.10164	7.7
111.04424	1.3
111.08062	4.0
111.11691	0.9
115.05403	0.7
119.08585	5.8
121.06489	1.5
121.10141	3.6
123.04399	0.8
123.08023	1.4
123.11687	2.2
129.07007	5.0
131.08582	5.0
133.06474	2.1
133.10098	2.6
137.13292	1.0
139.07381	0.6
139.56207	0.6
142.07779	0.8
145.10101	1.2
147.04346	0.5
147.08051	2.3
147.11716	4.4
149.09657	2.6
157.10144	6.4
165.12695	1.5
169.82509	0.6
175.11191	6.1
193.12254	22.5
203.58524	0.7
211.13264	1.8
235.13400	0.6
239.23784	1.9
246.97258	0.6
249.14857	1.5
257.24734	2.1
259.13437	0.8
267.15924	100.0
268.16232	1.2
273.14929	0.6
299.18414	0.7
301.14539	1.0
309.17038	1.7
313.27374	93.2
314.27808	2.1
319.15109	0.6
341.26651	0.7
398.09552	0.6
505.38916	76.6
506.39227	2.8
523.39832	1.4
547.39966	2.5
589.39984	0.7
613.41388	1.1
631.42169	1.3
649.43121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.1
55.01857	1.4
55.05521	7.0
55.54454	0.6
57.03445	12.3
57.07081	25.0
57.07339	0.9
61.02906	0.8
67.05511	13.1
69.03404	1.3
69.07073	6.8
70.18166	0.5
70.77579	1.2
71.04964	1.1
71.08640	22.7
72.99068	0.5
79.05079	0.6
79.05494	7.5
81.03426	55.0
81.07065	16.5
83.04989	3.1
83.08627	17.8
85.02891	0.8
85.06531	0.6
85.10195	11.8
89.06010	1.4
91.04985	0.7
91.05493	10.6
93.07061	5.6
95.04977	17.3
95.08617	17.2
95.09230	0.9
95.23112	0.5
97.02850	1.7
97.06521	1.2
97.10181	4.4
99.11737	0.9
99.56480	0.6
103.07571	1.4
105.07037	7.2
107.04963	3.5
107.08577	2.1
109.06494	2.0
109.10165	8.3
111.04448	1.1
111.08088	4.6
111.11674	0.5
115.05428	0.8
117.07059	0.8
119.08593	8.0
121.06475	1.2
121.10152	3.5
123.04468	0.9
123.08043	1.2
123.11738	3.3
129.07031	5.2
131.08568	5.9
133.06445	2.1
133.10127	2.4
135.11635	1.0
137.13226	0.6
142.07724	1.5
145.10106	1.0
147.08069	2.5
147.11708	6.1
149.09608	3.4
157.08955	0.6
157.10141	6.2
163.11142	1.0
165.12718	1.4
175.09830	0.6
175.11232	6.8
184.07297	2.1
193.12267	23.2
201.34677	0.6
211.13255	1.2
235.13307	1.5
239.23689	2.0
239.26062	0.6
249.14891	1.8
257.24759	2.0
259.13416	1.1
267.15939	100.0
268.16312	1.0
309.17166	1.3
313.27396	89.3
314.27744	2.0
360.32529	0.6
498.67831	0.6
505.38934	75.3
506.39380	2.5
523.40143	1.5
547.39758	2.2
589.39984	0.7
631.41547	0.8
649.43134	0.9
752.46796	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	753.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39383	1.1
53.03950	7.5
53.18127	1.2
55.01871	14.2
55.05513	37.2
57.03435	21.4
57.07065	3.8
59.04996	3.6
61.02914	2.5
65.03942	3.3
67.05507	88.4
68.05820	1.1
69.03078	1.7
69.03432	21.6
69.07068	16.8
69.87444	5.9
71.01338	4.6
71.04999	8.3
73.02912	4.1
79.05497	39.0
81.03421	100.0
81.07064	45.5
83.04979	22.0
83.08625	24.6
85.02908	44.6
85.06535	4.2
87.04445	1.7
88.58713	1.1
91.05480	33.9
93.07050	26.8
95.04975	27.0
95.08606	20.6
97.02909	22.0
97.06521	11.3
97.10167	20.1
99.04465	5.3
99.08072	2.4
103.03927	2.3
103.05491	2.6
105.04506	1.7
105.07035	25.5
107.04961	13.7
107.08592	16.8
108.60201	1.4
109.02886	18.7
109.06535	8.9
109.10160	50.1
111.04459	11.9
111.08109	11.5
113.05974	2.5
113.09680	1.5
115.03968	1.3
115.05454	2.7
117.07043	8.0
119.04975	1.9
119.08583	23.5
121.02881	2.1
121.06529	6.4
121.10146	11.0
123.04427	7.3
123.08086	4.7
123.11719	2.0
125.09636	21.4
125.39675	1.1
127.03918	10.3
128.06236	2.0
129.05490	2.4
129.07025	9.8
131.03395	3.2
131.04930	2.7
131.08565	11.4
133.06474	4.4
133.10135	7.3
135.04417	2.3
135.08044	4.8
135.11688	5.6
137.05984	4.2
137.09618	5.7
139.03970	1.9
142.07771	2.1
143.08583	3.0
143.10699	1.6
145.06435	2.9
145.10114	8.2
147.04417	1.9
147.08035	5.8
147.11716	9.8
147.66475	1.5
149.06010	2.8
149.09647	5.7
151.07600	1.1
153.09079	1.9
153.12785	5.8
155.08574	2.3
155.10666	2.3
157.05017	2.3
157.10123	8.9
159.08070	2.3
159.11702	3.4
161.09595	1.6
163.11198	9.1
165.05511	1.9
165.12802	3.7
169.10187	1.9
171.06580	2.6
171.10211	1.4
171.11691	2.5
173.04483	10.5
173.09647	3.2
173.11774	13.5
175.11151	10.4
177.05510	1.5
177.12885	1.6
181.12149	2.9
183.06612	1.9
189.11224	5.3
189.12759	4.7
191.10736	3.8
193.12250	34.1
199.11293	1.9
199.13321	2.8
209.11771	6.5
211.05879	1.9
211.13301	36.3
217.12331	2.3
223.13293	2.8
227.12730	12.4
229.07387	1.3
229.12120	1.8
229.14354	23.7
235.13254	5.1
249.14746	2.1
265.14304	2.1
267.15942	16.0
269.12216	1.7
273.14771	2.8
273.18539	2.4
277.14426	2.7
283.15436	8.1
285.16974	8.9
291.19553	6.1
301.16461	4.6
309.17056	7.0
311.84430	1.3
313.16724	1.5
319.15179	1.5
337.16400	2.7
355.17365	1.5
365.23096	2.8
393.19009	2.0
421.25763	4.2
439.21094	2.4
439.26947	31.3
463.27075	2.5
475.26114	1.4
493.27798	2.6
511.28482	2.3
519.33197	2.6
535.28613	1.8
573.34088	1.6
583.30658	2.1
605.62451	1.5
609.36108	4.2
611.30444	1.5
637.32196	2.4
655.33752	2.5
735.38843	2.9
753.40619	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	754.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01876	7.3
55.05515	10.8
57.03436	4.2
59.14187	0.9
61.99945	0.8
62.20304	0.9
67.05516	14.1
69.03432	1.2
69.07079	11.5
69.52032	6.1
71.05003	2.4
79.05502	16.4
81.03440	5.9
81.07067	23.4
83.01374	2.1
83.04999	4.5
83.08630	5.8
91.05493	22.1
93.07059	16.5
95.01352	3.6
95.04966	5.4
95.08619	11.6
97.02930	1.6
97.06551	10.2
97.10175	1.2
105.07048	33.2
107.04977	7.4
107.08624	10.8
109.06552	3.5
109.10175	5.4
111.08089	1.7
117.07027	4.9
119.08597	17.1
121.06531	2.5
121.10162	5.3
123.04462	2.1
123.08097	4.4
129.07013	1.5
131.08589	9.3
133.10158	16.8
135.08081	2.4
135.11690	6.0
143.08658	1.4
145.10144	9.6
147.11713	5.7
149.09654	2.0
155.08582	1.4
157.10121	1.3
159.11746	3.4
161.13275	2.8
163.11212	7.7
173.09631	1.3
177.12770	1.2
179.14340	6.7
187.11197	2.1
209.11784	1.7
229.19701	1.0
239.17886	1.4
248.38306	1.0
257.18976	1.8
275.20105	32.0
283.15439	26.1
291.96014	1.4
349.23798	14.3
393.06393	1.2
539.33502	2.1
557.34821	100.0
558.34979	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	754.47
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01869	3.7
55.05262	3.2
55.05515	30.8
57.03440	17.8
57.07076	12.6
59.80300	1.9
60.08149	2.4
61.02922	5.4
65.03940	4.0
67.05506	75.8
69.03436	5.9
69.07068	21.1
69.15352	7.7
69.15781	9.8
71.04991	5.1
71.08640	8.4
77.03892	2.0
79.05064	3.1
79.05494	42.2
81.03411	13.7
81.07060	60.0
83.04992	8.4
83.08612	16.0
83.54922	1.6
85.02914	11.7
85.06537	2.6
85.10188	4.2
86.09711	12.4
91.03945	3.2
91.05482	32.0
93.07046	48.0
94.04197	1.7
95.04976	15.6
95.08614	44.0
95.47083	1.8
95.54832	1.7
97.02907	6.7
97.06543	5.9
97.10172	20.7
98.20719	3.0
99.04479	1.8
99.08102	2.3
103.05463	1.7
105.07037	19.6
105.97018	1.6
107.04942	8.5
107.08599	31.2
109.06523	3.0
109.10158	35.4
111.04454	1.6
111.08092	2.0
113.16299	1.8
117.07033	14.0
119.08598	13.7
121.06506	7.0
121.10149	18.9
123.08047	3.4
123.11713	5.3
125.00032	9.1
125.09621	14.8
129.07014	3.8
131.08557	14.3
133.10141	11.8
135.08090	4.9
135.11725	10.7
137.09621	2.9
137.13243	1.9
143.08580	4.0
145.10130	10.2
147.11714	7.7
149.09644	2.0
149.13252	7.1
157.10155	2.7
159.11673	10.8
161.09628	1.9
161.13301	5.5
163.11258	2.3
169.10146	3.2
171.11746	1.9
173.11736	6.6
173.13309	5.5
175.14743	1.7
177.12758	4.5
184.07336	40.1
187.11185	4.6
189.11247	11.3
199.13274	3.4
205.12234	2.9
209.11652	3.4
223.13281	50.7
227.12808	7.5
229.14343	27.8
243.21049	3.0
259.20538	2.6
261.22070	13.2
269.17102	1.6
279.15918	5.0
283.15451	4.1
297.16977	100.0
298.17520	2.0
301.16504	9.8
311.23721	2.6
313.27405	39.8
313.30936	1.4
317.24829	3.5
335.25797	73.3
336.26154	3.2
348.26279	1.9
418.08456	1.7
430.95624	1.7
437.36511	2.4
455.37219	3.5
465.33539	3.2
467.37411	8.3
489.35791	7.6
514.99878	1.6
539.38470	9.6
557.38416	49.7
558.38922	2.0
575.39441	2.7
650.43988	3.0
734.12976	1.9
754.46686	2.8
755.45789	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01869	3.6
55.05268	2.2
55.05517	24.6
57.03442	10.7
57.07078	2.9
61.02940	2.8
65.03934	4.5
67.05505	69.9
69.03421	3.4
69.07071	17.7
69.26553	12.6
69.26984	7.5
77.03947	2.9
79.05499	89.5
79.05966	4.9
81.03409	10.1
81.06586	3.5
81.07055	61.8
83.04974	9.7
83.08623	11.9
83.46687	2.1
85.06542	4.1
91.05483	100.0
93.07048	93.5
95.04963	24.3
95.08056	3.8
95.08617	46.2
97.02856	2.8
97.06553	6.4
97.10169	6.4
98.20711	3.5
103.05412	2.3
104.61473	2.2
105.07036	85.0
107.04968	8.7
107.08604	37.5
109.06521	7.3
109.10176	14.2
111.08070	3.8
115.05464	3.0
117.07014	22.0
119.08595	61.6
121.06500	3.3
121.10160	21.7
123.08067	7.4
128.06233	6.1
129.07027	23.1
131.08563	23.2
133.10141	40.4
135.08058	4.2
135.11720	15.0
137.09615	3.0
139.03918	2.5
141.06944	3.6
143.08575	15.9
143.36398	1.9
145.06493	3.1
145.10120	28.0
147.08063	3.1
147.11693	63.9
149.09676	3.0
149.13292	11.4
155.08607	3.4
156.09358	2.3
157.10136	11.6
159.11711	15.6
161.09596	5.8
161.13271	31.4
163.11194	2.8
163.14786	5.2
169.10115	5.6
171.11700	33.4
173.13249	7.1
175.14813	13.1
183.11813	3.7
185.13290	11.6
187.14749	2.4
189.12743	9.8
198.07043	2.0
199.14856	5.4
207.13837	18.6
231.21092	5.1
241.19539	28.5
257.19135	5.1
259.20593	67.6
259.23404	3.3
261.22205	2.4
279.15933	22.4
281.17477	83.0
287.20483	2.2
315.23087	3.4
316.52512	2.2
333.24219	46.8
367.60294	3.2
447.32507	9.0
465.33606	6.1
483.35068	3.2
511.89417	2.3
521.36182	6.7
522.20917	3.1
539.37311	92.9
540.37335	2.4
557.38422	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	754.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01868	0.7
55.05516	8.4
56.05027	0.5
57.03441	5.4
57.07055	1.1
62.06079	1.6
65.03937	0.7
67.05505	15.9
69.07070	11.2
71.04996	0.9
71.08638	0.7
71.34254	0.6
72.08136	0.5
79.05501	6.7
81.07061	18.0
83.04983	0.6
83.08616	5.0
85.05301	2.3
85.06551	0.8
86.06046	1.1
86.09697	1.3
91.04965	0.6
91.05489	6.1
93.07053	7.5
95.04974	0.6
95.08612	12.5
96.08125	0.6
97.06547	0.9
97.10172	2.2
98.06056	10.1
98.98441	1.5
99.08083	0.7
105.07022	3.9
107.08588	4.1
109.10163	4.4
111.08052	0.6
112.07615	1.3
117.07007	1.0
119.08573	3.7
121.10154	3.3
122.09625	0.5
123.11718	1.8
124.07591	0.5
125.00010	1.0
126.09129	0.6
131.08545	1.2
133.10127	4.1
134.09682	0.5
135.11665	2.3
137.13257	0.9
138.09192	0.5
140.10681	0.9
145.10121	1.1
147.11699	1.5
148.15532	0.4
149.13231	0.7
152.10701	1.0
154.12198	1.1
159.11711	1.0
161.13234	1.3
163.14813	0.7
166.12308	0.5
168.13838	0.7
173.13277	0.6
175.14806	0.8
180.13841	0.5
184.07338	4.6
187.14876	0.5
194.15347	0.5
208.17010	1.6
220.17070	0.5
222.18501	0.9
236.20085	0.7
248.20110	0.5
259.20673	0.5
262.21780	0.6
263.23904	0.5
264.23257	1.4
277.21603	2.0
302.24768	7.8
304.26266	0.8
306.27914	100.0
307.28265	1.8
308.29376	0.7
320.25848	37.4
321.26236	0.8
333.24258	3.0
337.27374	32.2
338.27484	1.0
351.25314	6.4
400.22607	2.5
418.23517	6.2
431.21573	0.6
474.26089	0.5
613.48132	0.9
656.53247	1.0
736.49469	0.6
754.50012	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05516	9.5
57.03437	5.4
57.07072	2.8
58.01898	0.9
58.06632	1.1
62.06098	1.3
67.05168	1.6
67.05508	18.5
68.59006	0.9
69.07071	12.2
69.38486	8.3
71.04990	1.0
71.07350	1.5
79.05493	9.6
81.07059	19.0
83.04978	1.2
83.08627	6.4
85.05284	3.6
86.06076	1.4
86.09706	6.7
91.05475	5.2
93.07059	10.1
93.07582	1.8
95.08042	1.6
95.08611	15.8
97.10186	2.2
98.06061	11.8
98.98430	2.0
105.07043	5.4
107.08602	4.2
108.94558	1.1
109.10149	6.2
112.07594	1.8
119.08588	4.7
121.10130	2.9
122.09653	1.7
123.11723	1.9
125.00010	3.8
131.08531	1.2
133.10130	2.3
135.11716	2.8
145.10117	1.4
147.11705	2.3
159.11671	1.4
163.14885	1.2
173.13277	1.3
174.30287	1.2
175.14830	0.9
181.81566	0.9
184.07367	23.9
222.18427	0.9
236.20088	1.2
262.21576	1.1
264.23169	1.5
266.79236	1.0
277.21570	1.3
282.98907	1.3
302.24753	6.9
306.27917	100.0
307.28180	1.6
308.29428	3.1
320.25870	31.3
322.27332	1.0
333.24185	2.8
335.25418	1.4
337.27396	31.3
351.25412	3.0
400.22556	2.1
418.23517	6.5
478.92755	1.1
596.91364	1.1
613.47955	2.2
694.40765	1.1
754.51923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74835	0.4
53.03941	0.5
55.01878	0.7
55.05268	0.5
55.05512	7.6
57.03239	0.4
57.03442	4.2
57.07064	1.6
62.06076	1.4
65.03932	0.7
67.05506	16.4
69.07072	10.7
71.08639	0.8
71.46151	0.5
72.04545	0.5
79.05499	7.1
80.52072	0.4
81.07059	17.0
81.54754	0.5
83.04964	0.8
83.08633	5.0
85.05264	1.5
85.06547	0.5
86.06090	1.0
86.09692	1.3
91.05489	5.6
93.07047	7.5
95.04973	0.6
95.08611	12.6
96.08142	0.5
97.06512	1.2
97.10150	1.8
98.05425	0.7
98.06056	11.8
98.98478	1.5
105.07034	3.9
105.77832	0.4
107.08607	4.6
109.10164	5.4
110.09667	0.4
111.08056	0.5
111.11713	0.6
112.07581	1.3
117.07006	1.0
119.08577	3.1
121.10170	2.6
122.09622	0.4
123.11680	1.5
124.11162	0.6
125.00030	0.7
129.06996	0.5
131.08546	1.1
131.53368	0.4
133.10133	2.9
135.11720	2.0
138.09088	0.7
140.10736	0.6
143.08574	0.5
145.10109	1.0
147.11673	2.1
149.13271	1.0
152.10684	0.8
154.12279	0.6
157.10187	0.5
159.11755	0.5
161.13287	1.2
168.13893	0.7
182.15373	0.6
184.07330	4.2
196.16888	0.7
208.17006	1.0
210.91498	0.4
222.18546	0.7
236.20047	0.9
241.19466	0.6
259.20572	0.6
262.21664	1.5
263.23889	0.6
264.23294	1.5
277.21689	2.1
302.24789	7.0
304.26459	1.2
306.27914	100.0
307.28275	2.1
308.29385	1.5
313.27405	0.7
320.25851	33.3
321.26160	0.6
324.28967	0.5
333.24182	3.6
337.27374	32.8
338.27304	0.7
351.25302	6.5
357.18161	0.5
400.22339	2.4
416.88824	0.4
418.23563	6.0
431.22339	0.4
613.48138	0.7
656.52618	1.0
674.42603	0.4
754.50061	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17393	0.6
53.49694	0.8
53.74707	0.6
55.05514	4.3
57.03440	3.4
57.07074	2.5
59.05006	0.7
61.02938	4.6
65.48631	0.7
67.05512	6.1
69.03426	3.2
69.07065	2.2
71.04997	1.8
71.08633	2.2
71.53407	1.0
72.08981	0.7
73.02894	3.5
79.05500	4.2
81.03423	3.6
81.07063	7.6
83.05019	0.9
83.08626	3.8
85.02902	5.5
85.06551	0.9
85.10182	0.9
86.09680	1.1
87.04468	1.1
91.03960	3.7
91.05501	1.9
93.07072	3.4
95.04985	1.2
95.08617	4.4
97.02895	4.4
97.06553	0.9
97.10189	1.9
99.66733	0.6
101.02385	1.5
105.07056	1.5
107.08594	2.2
109.06594	0.7
109.10179	2.9
110.10489	0.9
111.08099	0.7
113.00082	0.6
119.08592	1.4
121.10167	2.6
123.11720	1.1
125.00021	0.8
125.09623	1.1
127.03948	1.3
131.08601	1.1
133.10114	0.8
135.11743	1.0
147.11754	1.3
149.09628	1.8
165.12775	0.9
184.07312	3.2
191.11166	0.7
193.12253	1.0
209.11784	1.0
225.14925	0.8
229.14410	2.6
243.08508	2.2
259.64398	0.6
267.15967	1.2
283.15213	5.3
301.16467	1.2
302.16925	0.7
311.26022	0.9
313.27512	3.6
314.27844	2.3
339.17786	1.3
468.37741	0.8
495.29379	6.2
501.23053	14.1
588.68427	0.8
593.40155	1.0
673.13605	0.9
711.78687	0.8
755.45569	100.0
756.45844	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	756.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
55.05518	12.0
57.03439	8.1
65.03923	0.8
67.05512	16.0
67.32518	0.5
69.03423	2.9
69.07072	4.1
70.92704	1.1
70.93044	0.9
71.05001	3.0
73.47419	0.5
79.05498	17.2
81.03427	42.1
81.07062	15.1
82.03756	0.6
83.04999	4.3
83.08628	15.5
85.02855	0.7
85.06543	1.1
87.04486	0.9
91.04987	0.9
91.05496	12.6
93.06487	0.7
93.07051	13.4
95.04980	16.8
95.08080	0.5
95.08617	7.7
97.02854	1.8
97.06550	2.7
97.10182	14.5
99.08080	0.9
103.05436	0.9
105.06299	0.7
105.07030	10.5
107.04315	0.7
107.04968	11.7
107.07899	0.6
107.08600	10.5
109.02876	0.6
109.05929	0.6
109.06533	8.1
109.10163	4.9
111.04433	1.5
111.08115	3.8
113.69176	0.7
115.05481	0.8
115.71171	0.6
117.07024	4.5
119.04955	1.1
119.07820	0.7
119.08596	10.1
121.05798	0.7
121.06529	8.3
121.10162	7.0
123.04413	1.6
123.08067	3.3
123.11674	1.2
125.05997	1.0
125.08755	0.9
125.09646	13.5
128.06239	0.8
129.07039	5.9
131.04907	2.0
131.08574	7.8
133.06522	3.4
133.10155	4.2
135.08083	4.8
135.11685	2.1
135.55894	0.5
137.05989	1.1
137.09593	1.9
139.11180	0.8
140.63037	0.6
141.06955	1.4
142.07791	1.4
143.08557	1.9
145.06508	4.4
145.10130	3.3
147.04404	1.6
147.08046	4.5
147.11691	4.5
149.09645	4.2
149.13249	0.8
153.09077	3.2
153.12735	1.1
155.08577	1.7
157.06442	0.9
157.10161	6.0
159.08046	1.5
159.11678	2.3
161.05893	0.6
161.09615	1.8
163.11148	2.6
165.09116	2.1
165.12743	0.8
167.08537	0.7
167.10684	1.0
169.10092	1.4
171.08046	1.4
171.10149	1.7
171.11678	1.6
173.09644	1.5
173.13307	1.0
175.11227	5.0
177.12714	1.4
181.10133	0.8
183.08026	1.0
183.11624	0.5
185.09735	0.9
185.13316	0.7
187.11197	1.9
187.14857	1.0
189.11214	5.2
189.12784	1.9
191.10640	0.7
191.14359	1.3
193.12257	13.3
195.11700	2.0
197.09541	0.9
197.13219	1.2
199.11081	2.1
199.13124	0.8
201.12761	0.7
205.12273	1.9
209.13287	0.8
211.11339	0.9
211.13272	1.0
213.12816	1.2
215.14355	2.2
217.12206	1.3
219.11960	0.7
219.13844	2.3
223.13264	1.3
227.12811	2.0
227.14690	0.7
231.13832	1.3
233.15358	4.0
235.13150	0.9
237.12723	1.1
237.14853	0.7
241.14438	0.8
243.13858	0.7
245.15385	1.0
249.14897	1.2
255.13820	1.8
259.13239	1.4
267.15945	35.0
268.16254	0.7
269.15390	0.8
273.14743	5.5
281.15381	0.8
291.15903	1.1
293.17584	0.6
295.16586	0.6
311.16260	0.6
321.22150	0.8
339.23297	2.5
349.21735	2.8
357.24277	1.9
367.22696	14.0
385.23767	19.7
403.24908	7.3
405.24240	0.8
423.25330	1.3
441.26398	10.0
459.27478	100.0
460.27948	2.0
477.28534	94.5
478.28836	2.5
491.30118	14.4
501.28555	2.6
509.31137	6.4
541.33868	1.5
543.29559	1.0
567.29584	1.6
585.30371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01891	14.1
55.05519	28.7
57.03446	20.8
57.07066	2.5
59.05018	3.3
60.26891	2.5
61.02929	4.3
65.03973	3.0
67.05180	3.4
67.05513	46.3
68.69946	2.8
69.03435	2.8
69.07071	22.2
71.04984	7.6
73.02859	2.5
77.03923	2.7
79.05064	4.2
79.05499	62.7
81.03425	15.7
81.07065	57.9
83.01339	10.3
83.04999	18.1
83.08633	21.0
85.02914	7.2
85.06559	5.1
91.05487	67.3
93.06480	4.0
93.07054	66.0
95.04972	17.4
95.08614	34.2
97.02886	6.1
97.06541	9.9
97.10149	6.3
99.90078	2.8
105.07042	63.8
107.04967	13.8
107.08602	40.9
109.06505	9.5
109.10185	15.5
110.27215	2.4
111.04436	4.5
111.08064	4.6
117.07033	22.5
119.08584	58.0
121.06497	5.4
121.10156	25.7
123.08059	8.2
123.11652	3.8
125.09642	7.7
129.07007	12.0
131.08609	26.0
133.10143	44.4
135.08105	4.9
135.11696	26.8
137.09604	4.3
143.08585	13.8
145.10155	36.7
145.43849	2.6
147.08002	3.7
147.11690	34.9
149.09567	4.4
149.13303	11.6
152.08223	2.9
153.12746	3.9
155.08600	4.3
157.10153	12.3
159.11700	19.4
161.13280	26.1
162.44536	2.7
163.11200	34.9
169.10173	2.7
171.11700	13.9
173.09613	3.1
173.13281	7.9
175.14775	8.0
181.12321	4.5
183.11609	3.3
184.07338	13.7
185.13274	13.0
187.14879	2.9
189.11221	5.0
191.10641	3.0
193.12282	5.6
199.14850	6.7
209.11720	10.0
211.13326	5.6
213.16461	3.7
227.12773	20.9
231.21094	4.9
241.19447	18.6
247.20703	3.0
257.18958	4.0
259.09567	2.5
259.18033	4.5
259.20612	66.1
259.23380	3.3
267.16016	9.3
275.20221	14.3
283.12418	4.7
283.15439	80.2
285.16965	8.4
289.39240	3.1
291.19327	2.5
297.22043	7.1
302.26926	2.8
315.23041	8.1
333.24280	57.9
334.77441	3.1
349.23749	6.8
421.30994	2.7
431.29269	4.5
449.30554	8.6
467.31412	5.8
485.32880	4.0
513.36102	5.4
523.34222	8.8
541.35303	100.0
542.35632	2.6
559.36365	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01634	0.7
55.01876	10.4
55.05272	0.9
55.05515	12.1
57.03442	5.8
65.03930	2.0
65.13218	0.6
67.05507	26.8
68.05808	0.8
69.03422	2.5
69.07069	20.3
69.84946	0.6
69.85136	1.1
69.85506	3.4
71.04983	3.1
72.13472	0.7
73.02902	0.8
79.05496	24.9
81.03420	24.3
81.07059	41.1
83.04983	8.2
83.08624	9.0
85.02911	10.0
85.06537	2.6
91.05485	42.0
92.05814	0.8
93.06483	1.4
93.07050	26.8
95.01329	6.4
95.04961	11.6
95.08609	20.8
97.02895	1.6
97.06534	17.7
97.10165	2.9
99.08086	1.5
103.05466	1.6
105.04505	1.0
105.07033	60.9
107.04951	10.9
107.08595	10.9
109.06507	5.4
109.10149	5.5
111.08089	4.8
113.90372	0.7
115.05446	1.1
116.06232	0.8
117.07030	9.5
119.08584	32.1
121.06502	3.1
121.10162	7.1
123.04443	2.1
123.08100	3.8
123.11691	1.5
125.09612	1.9
129.07001	6.1
131.08572	17.7
133.06538	1.4
133.10138	34.6
135.08064	1.6
135.11691	5.4
137.09595	1.3
139.07458	1.2
141.06989	1.5
142.07770	1.2
143.08565	2.1
145.06482	1.6
145.10118	13.7
147.08031	1.2
147.11687	16.7
149.09642	5.2
149.13275	2.6
151.11192	1.2
155.08543	1.3
157.10104	5.6
159.11705	7.6
161.09583	1.2
161.13257	4.0
163.11148	3.7
165.09149	2.2
165.12810	1.6
169.10120	1.3
171.11694	1.7
173.13274	1.8
175.11195	4.8
177.12759	1.6
179.14297	9.8
183.11684	1.6
187.11221	1.5
193.12254	10.1
201.12741	0.9
211.13239	12.0
211.14943	1.1
215.17952	0.8
219.17516	4.4
239.17880	1.2
247.20514	1.1
257.18942	3.7
267.15900	15.1
275.20062	55.0
279.16013	1.5
285.16959	23.0
293.21133	4.0
349.23746	28.8
350.24048	0.8
370.37747	0.9
541.35248	49.6
542.35773	0.8
559.36310	100.0
560.36749	3.6
577.37463	0.9
703.40430	0.9
716.83203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
53.04163	0.9
55.01874	15.4
55.05260	1.4
55.05510	19.5
57.03438	9.2
57.07070	0.8
61.02925	1.0
65.03934	2.3
67.05508	40.2
69.03429	4.3
69.07069	28.0
71.01389	1.0
71.05012	4.9
73.02922	0.8
79.05494	33.4
81.03418	39.9
81.07057	53.1
81.91902	0.9
83.04984	13.7
83.08617	18.2
85.02432	1.4
85.02908	16.6
85.06533	2.4
90.82821	0.8
91.05480	57.9
93.06474	1.7
93.07049	34.9
94.31694	0.9
95.01333	7.5
95.04970	21.9
95.08607	30.6
96.12022	0.8
97.02874	2.5
97.06530	22.4
97.10165	3.6
99.08073	2.3
105.04533	1.4
105.07031	79.7
107.04964	17.7
107.05685	0.5
107.08587	14.8
109.06525	5.7
109.10159	7.0
111.04435	2.1
111.08088	6.4
112.59732	0.7
113.06029	1.7
115.05441	1.3
117.07023	12.8
119.08582	41.4
119.35693	0.8
121.06503	2.8
121.10146	12.6
123.04418	2.1
123.08073	5.6
123.11687	2.3
125.09613	3.0
128.06238	1.0
129.07008	9.8
131.08566	21.7
133.06496	2.8
133.10136	38.7
134.10524	1.0
135.08044	3.9
135.11667	5.7
137.05934	1.5
137.09612	3.4
139.07494	1.0
139.11162	1.0
141.07002	1.7
142.07762	2.5
143.08537	2.3
145.06500	2.8
145.10129	11.6
147.08047	2.7
147.11688	22.0
149.09634	10.5
149.13274	2.9
151.11194	2.0
155.08554	1.2
157.10127	9.7
159.07968	0.9
159.11694	8.0
161.13211	4.6
163.11171	4.3
165.09073	1.8
165.12770	2.2
169.10193	1.6
171.11700	2.1
173.13264	3.3
175.11183	10.2
175.14847	1.0
177.12796	2.4
179.14307	8.1
183.11720	2.2
184.07399	1.2
187.11165	2.4
191.14204	1.3
193.12248	20.2
197.13182	1.6
211.13275	21.5
214.25073	0.8
229.19560	1.0
239.17912	2.1
247.20584	1.2
257.19064	4.3
259.20636	1.2
267.15918	29.7
268.16245	0.9
273.35907	0.8
275.20056	59.4
276.20349	1.1
279.15897	2.7
285.16962	61.9
293.21136	3.8
349.23730	32.3
349.28082	1.3
532.96887	1.0
541.35260	67.4
542.35437	2.9
559.36292	100.0
560.36353	3.7
577.37286	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	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.9
53.03935	4.0
55.01865	3.1
55.05268	1.6
55.05515	22.5
57.03436	11.6
57.07061	2.7
59.05001	1.8
61.02917	3.6
65.03926	2.2
67.05506	54.3
69.03421	2.5
69.07069	12.1
69.72633	3.4
69.73042	2.6
71.01347	1.4
71.04999	1.9
73.02913	1.9
79.05496	37.5
81.03397	5.0
81.07058	55.4
83.04965	3.6
83.08624	13.9
85.02895	4.2
85.06545	2.8
91.03945	1.9
91.05484	31.3
92.05792	1.2
92.07225	1.1
93.06476	2.7
93.07049	45.1
95.04967	4.8
95.08611	33.5
96.69082	1.2
97.02895	7.1
97.06525	4.2
97.10152	2.0
98.21419	1.9
99.00809	15.4
99.08076	1.8
100.41682	1.2
103.05416	2.1
105.06392	1.9
105.07041	25.3
105.27946	1.2
107.04961	6.1
107.08595	24.1
109.02880	12.4
109.06506	4.3
109.10157	19.4
111.04431	1.4
111.08056	5.4
115.03928	2.5
117.07008	5.8
117.82679	1.2
119.08582	19.2
121.06487	5.5
121.10144	16.9
123.04435	1.6
123.08072	2.4
123.11701	7.8
124.13474	1.5
127.03899	2.3
128.06239	1.8
129.06975	1.2
131.08559	9.0
133.10129	39.2
135.08060	1.9
135.10736	1.7
135.11656	9.9
137.09621	2.2
137.13261	2.2
139.07523	3.1
143.08565	4.9
145.06522	1.8
145.10162	6.4
147.11671	4.5
149.13269	5.2
151.11198	12.0
159.11710	4.2
161.09621	15.1
161.13255	3.1
163.14827	4.3
165.09213	1.5
171.08047	4.2
173.13268	4.6
179.10724	9.0
187.14806	2.1
189.09073	8.6
197.11743	2.2
201.16470	1.7
207.10123	4.2
211.12970	1.2
225.11232	12.4
231.63751	1.3
243.12238	1.5
243.21141	5.8
261.22159	19.5
277.21698	2.1
281.13818	4.0
299.14899	88.5
300.15274	1.6
315.23267	3.1
317.24661	1.8
335.25797	100.0
336.26190	2.8
404.13956	1.2
421.30710	1.2
467.31445	5.3
479.29852	1.7
485.32471	3.9
513.35608	4.1
523.34070	1.8
531.36627	2.8
541.35278	12.3
559.36310	54.8
560.36511	1.6
577.36877	2.1
757.41333	1.5
765.41888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.9
53.03931	4.1
55.01865	4.4
55.05265	1.5
55.05512	22.4
56.96565	1.2
57.03437	12.7
59.04995	2.6
59.28429	0.9
61.02913	4.0
65.03938	2.6
67.05505	57.8
67.22628	1.0
69.03419	3.2
69.06221	1.0
69.06794	1.0
69.07077	12.6
69.21359	3.3
69.21783	7.3
71.01338	2.4
71.04985	3.2
71.08621	1.2
73.02895	2.8
74.95176	1.0
79.05493	36.8
81.03423	5.7
81.07059	52.1
83.04970	3.7
83.08619	15.2
85.02904	5.6
85.06524	2.9
86.09706	1.2
91.05486	34.5
93.07047	46.8
93.07634	2.4
95.04975	6.5
95.08607	33.2
97.02905	6.1
97.06516	4.6
97.10156	3.8
98.05930	1.1
98.21503	2.5
99.00823	15.2
99.04406	1.2
103.05471	1.9
105.03349	1.2
105.04501	1.2
105.07032	23.6
107.04929	5.9
107.08599	23.0
109.02879	13.2
109.06516	4.2
109.10155	17.8
110.36972	1.0
111.04453	1.7
111.08067	4.1
113.06108	1.0
115.03922	3.4
117.07020	6.1
119.08586	16.3
119.60152	1.1
121.06489	8.0
121.10143	14.8
123.08069	3.7
123.11710	6.2
127.03871	2.4
128.06184	1.9
129.07065	1.8
131.08598	9.7
133.06520	1.5
133.10138	35.8
135.08060	1.4
135.11694	10.6
137.06007	1.4
137.13242	3.2
139.07518	2.8
143.08583	6.8
145.06497	1.8
145.10127	5.8
147.11685	4.9
149.09642	1.6
149.13269	6.2
151.11177	11.2
157.10089	1.2
159.11697	5.5
161.09610	20.1
161.13254	4.5
163.11154	1.1
163.14775	2.5
171.08018	3.8
173.13274	3.9
175.14809	1.8
177.16423	1.3
179.10704	7.7
184.07326	2.2
185.13161	1.3
187.14864	3.0
189.09178	6.9
197.11768	2.5
207.10129	3.8
211.13245	1.2
225.11200	12.7
241.19498	1.3
243.12231	2.8
243.21115	6.0
261.22153	21.0
281.13882	4.3
299.14902	92.1
300.15277	1.3
306.28143	1.0
308.29431	2.9
315.23105	2.8
317.24600	2.7
333.24387	1.7
335.25797	100.0
336.26190	2.5
421.30487	1.6
449.30267	1.7
467.31671	6.3
479.29892	2.3
485.32547	2.6
513.35663	3.0
515.37164	1.3
523.33704	1.3
531.36810	3.8
541.35132	10.4
559.36316	55.1
560.36206	2.5
577.37177	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	756.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74168	0.2
55.05528	0.2
56.05035	0.7
57.03423	0.2
58.06377	0.2
58.06626	0.5
59.07395	0.2
60.08168	5.8
62.19374	0.2
62.83823	0.2
67.05511	0.9
71.06462	0.3
71.07379	3.1
71.08624	0.2
74.71592	0.2
79.05505	0.6
81.07052	1.0
83.08615	0.2
86.09709	29.1
87.10063	0.2
91.05495	0.3
93.07051	0.8
95.08608	0.6
98.98472	3.4
104.10747	1.7
105.07043	0.4
107.08644	0.3
109.10151	0.2
119.08598	0.2
121.10149	0.3
125.00013	18.9
162.12115	0.2
166.02608	0.3
184.07350	100.0
185.07643	0.3
188.09842	0.2
188.11629	0.2
346.84909	0.2
372.35422	0.2
373.77606	0.2
422.77917	0.2
444.16959	0.2
496.33835	0.3
700.33423	0.2
701.02771	0.2
756.55548	4.0
778.76318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1975
Annotation	Quercetin 3-(2G-(E)-p-coumaroylrutinoside)
Peak:m/z	Relative Intensity
53.03944	0.2
55.01859	0.3
55.05501	0.5
57.03441	1.6
65.03933	0.8
67.05505	0.3
67.87276	0.1
68.99791	0.2
69.03431	3.8
69.07071	0.3
69.73782	0.3
69.74197	0.6
71.01329	0.2
71.04993	11.8
73.02917	0.2
75.04469	0.4
79.05488	0.2
81.03418	0.5
81.07053	0.5
83.04980	0.8
85.02904	15.0
87.04475	0.4
87.19241	0.1
91.05480	7.1
93.07041	0.2
95.04990	0.2
95.08601	0.5
97.02904	0.6
99.04402	0.3
105.07035	0.3
107.04993	0.4
107.08570	0.3
109.02869	0.4
109.10149	0.4
111.00815	0.2
111.04428	0.6
119.04942	17.7
119.08583	0.3
121.02901	0.2
121.10126	0.2
123.04390	0.3
123.11705	0.2
127.03926	2.1
127.13133	0.1
129.05481	4.7
129.06937	0.2
131.04913	0.4
133.10112	0.3
137.02339	0.9
137.05965	0.3
137.09634	0.4
139.03857	0.2
145.04980	0.3
145.06488	0.2
147.04410	100.0
148.04752	1.1
149.13156	0.1
151.03938	0.2
153.01822	1.1
157.09872	0.1
163.03986	0.3
165.01868	0.5
165.05479	2.3
165.09113	3.9
165.63000	0.1
167.07051	0.4
167.10669	0.1
173.05936	0.2
177.05536	0.2
183.02950	0.3
187.07544	0.2
198.14371	0.1
201.05392	0.7
205.12254	0.3
207.43791	0.1
229.04961	1.3
231.06580	0.2
243.00711	0.2
247.06030	0.2
257.04431	0.7
275.08920	0.6
285.03949	0.4
287.05603	0.4
289.21494	0.2
291.08640	3.7
293.10220	0.6
303.04987	33.5
304.05215	0.6
309.09677	8.0
310.10046	0.2
320.89108	0.2
455.15240	0.3
465.10040	0.2
473.32712	0.2
478.98367	0.1
491.33682	0.2
574.51459	0.1
611.13916	0.3
647.24274	0.1
757.39990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1976
Annotation	Quercetin 3-(2G-(E)-p-coumaroylrutinoside)
Peak:m/z	Relative Intensity
53.03949	0.1
55.01878	0.3
55.05513	0.1
57.03440	2.2
59.04992	0.1
61.02932	0.3
64.58849	0.1
65.03925	0.6
65.14185	0.1
68.99784	0.1
69.03432	5.1
70.40892	0.1
71.01373	0.2
71.04997	14.2
73.02915	0.4
75.04480	0.5
80.52025	0.1
80.75984	0.1
81.03431	0.5
83.04979	0.6
85.02908	18.1
87.04481	0.3
88.70567	0.1
91.05483	5.0
92.31477	0.1
95.04990	0.1
97.02903	0.7
97.44923	0.1
98.21617	0.2
99.04465	0.3
105.07053	0.2
107.04977	0.4
109.02888	0.5
111.00812	0.2
111.04456	0.4
111.97672	0.1
119.04951	15.1
120.05289	0.2
121.02865	0.2
123.04411	0.2
127.03927	2.3
129.05487	5.4
137.02335	0.5
139.03932	0.3
145.06548	0.1
145.59311	0.1
147.04416	100.0
148.04742	1.1
153.01762	0.6
163.03954	0.2
165.01849	0.3
165.05484	2.3
165.09099	0.2
173.06055	0.2
177.05687	0.1
183.02905	0.2
187.07610	0.2
201.05463	0.4
229.05064	0.8
231.06531	0.4
247.06114	0.2
249.03391	0.1
257.04456	0.4
257.07407	0.1
274.04837	0.2
275.09247	0.3
285.04041	0.2
287.05518	3.2
291.08624	5.2
293.10236	0.5
303.05002	21.1
304.05426	0.3
309.09698	14.6
310.10052	0.2
405.63028	0.1
438.51065	0.1
455.15430	0.3
455.65610	0.1
611.14685	0.1
704.83575	0.1
757.39105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1979
Annotation	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03944	0.1
55.01865	0.2
55.05504	0.1
56.96565	0.1
57.03432	0.4
58.91318	0.1
61.02937	0.6
63.02348	0.1
65.03925	0.7
67.05505	0.1
68.99809	0.2
69.03432	6.0
69.41386	0.3
69.41806	0.6
71.04999	1.3
73.02931	0.2
79.05489	0.2
81.03431	0.9
81.07057	0.2
83.01323	0.2
83.04990	0.2
85.02907	4.2
87.04465	0.1
91.05482	5.1
93.07042	0.2
95.04974	0.3
97.02894	1.5
99.04453	0.3
103.05420	0.1
105.03388	0.1
105.07025	0.3
107.04940	0.3
107.08601	0.2
109.02877	0.6
109.10171	0.2
111.00872	0.2
111.04510	0.2
114.15082	0.1
119.04948	14.4
120.05206	0.1
121.02869	0.9
121.10139	0.2
127.03928	2.7
129.05472	0.4
131.04932	0.2
133.02850	0.1
133.06496	0.2
133.10130	0.2
137.02353	0.3
137.05968	0.3
145.04985	0.5
145.06451	0.2
147.04413	100.0
148.04762	1.2
151.04007	0.1
153.01831	1.3
156.77229	0.1
157.06570	0.2
157.10210	0.1
161.05984	0.2
161.09555	0.2
163.03955	0.1
163.07480	0.1
165.01839	0.5
165.05482	4.3
165.09087	0.6
167.07030	0.4
169.06445	0.1
171.04460	0.1
181.05055	0.2
183.02937	0.2
185.05980	0.2
201.05605	0.1
213.05493	0.4
231.06503	0.5
241.04944	0.4
258.05191	0.2
275.09265	0.1
287.05502	30.9
288.05847	0.6
291.08640	4.1
303.05002	2.5
309.09692	8.7
724.40704	0.1
757.28040	0.4
757.39136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2188
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03945	0.5
55.01872	0.5
55.05513	0.3
57.03439	1.9
59.05020	0.2
61.02932	3.4
68.99468	0.2
68.99811	0.3
69.03436	3.6
71.01360	0.2
71.04997	4.1
71.54036	0.2
73.02924	2.0
75.04476	0.5
76.28813	0.1
76.94550	0.1
79.05537	0.1
81.03418	1.4
83.04985	0.9
85.02910	21.6
86.03247	0.1
87.04468	0.6
91.03957	1.7
95.04999	0.2
97.02898	5.0
97.03523	0.3
99.04460	0.9
103.03948	0.3
105.03428	0.2
107.04957	0.3
109.02899	1.3
111.00830	0.6
111.04452	1.2
115.03937	0.4
117.05489	0.1
121.02881	1.6
123.04437	0.1
125.02344	0.3
127.03925	3.7
129.05486	2.7
133.02878	0.3
133.04965	1.0
135.04457	0.2
137.02350	0.8
139.03836	0.1
145.04965	4.9
147.04428	0.4
147.06525	1.2
151.03880	0.1
153.01843	2.8
157.06509	0.2
163.06035	1.4
165.01851	1.4
171.06645	0.1
179.05560	0.5
183.02888	0.6
185.05972	0.3
199.05956	0.1
203.03235	0.1
203.07231	0.1
207.06229	0.1
213.05501	1.1
213.07466	0.2
214.32533	0.1
229.05043	0.2
231.06477	0.5
231.08589	0.1
241.04944	0.7
255.08795	0.7
257.04495	0.1
258.05298	0.7
259.06003	0.2
273.09692	0.4
287.05511	100.0
288.05829	2.0
291.10690	0.1
299.05438	0.2
303.05008	6.4
304.05341	0.2
317.06302	0.1
329.06595	0.4
353.06635	0.2
449.10950	1.0
465.09778	0.2
757.25226	0.3
778.75195	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2187
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03953	0.3
54.30833	0.2
55.01864	0.2
55.05510	0.4
57.03188	0.2
57.03442	2.3
59.04974	0.2
60.44558	0.1
60.77388	0.2
61.02917	0.7
68.99788	0.3
69.03439	1.3
69.73647	0.9
71.05000	11.5
73.02922	4.0
75.04469	0.5
81.03410	0.5
83.04985	2.2
85.02910	14.9
85.45695	0.2
87.04459	0.4
91.03952	0.4
92.84455	0.1
95.04969	0.4
96.83541	0.2
97.02910	0.9
99.04460	1.2
101.06015	0.2
109.02853	0.8
111.00808	0.7
111.04462	1.1
117.05498	2.9
121.02866	0.9
123.04433	0.4
127.03943	1.2
129.05487	4.4
137.02336	1.8
137.06006	0.3
145.04944	0.7
147.06546	1.6
149.02338	0.4
153.01837	2.4
153.05467	0.4
157.17424	0.2
163.03914	0.5
163.06026	3.5
165.01857	1.3
173.05969	0.3
183.02870	0.5
183.04372	0.2
191.03410	0.2
201.05493	0.8
205.04990	0.2
219.06584	0.3
229.04971	2.8
239.09135	0.4
247.06001	0.4
257.04483	2.2
263.10052	0.2
274.04684	0.6
275.11285	0.3
285.03983	1.2
287.05435	1.9
303.05005	100.0
304.05322	1.7
329.06302	0.2
345.06097	0.2
369.06079	0.2
418.15872	0.2
449.10577	0.5
465.10385	0.9
653.04407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2187
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03952	0.6
55.01861	0.6
57.03444	1.8
59.05005	0.2
61.02638	0.2
61.02932	2.2
68.99809	0.3
69.03441	4.7
69.03820	0.3
69.45090	0.8
71.01363	0.4
71.05000	3.8
73.02929	1.6
75.04499	0.3
81.03429	1.9
83.01363	0.2
83.04989	0.8
85.02914	21.7
87.04485	0.6
91.03973	0.9
95.04974	0.1
95.76784	0.1
97.02905	5.7
99.04474	1.0
101.06062	0.2
103.03952	0.2
105.03381	0.2
107.04955	0.2
109.02892	1.9
111.00824	0.4
111.04452	1.2
115.03937	0.7
121.02879	1.7
121.04131	0.1
125.02406	0.3
127.03928	4.1
129.05486	1.9
133.02853	0.4
133.04997	1.1
137.02351	0.5
145.04974	5.5
147.04401	0.4
147.05583	0.1
147.06511	0.8
147.16689	0.2
151.03943	0.1
153.00706	0.2
153.01846	2.4
157.06554	0.2
157.19138	0.1
163.06061	1.0
165.01842	1.0
171.04404	0.2
179.05531	0.6
183.02946	0.6
185.06009	0.3
213.05515	1.2
231.06557	0.7
241.05058	0.6
243.06560	0.1
255.08676	0.6
258.05380	0.7
259.06030	0.3
267.75214	0.1
273.09708	0.2
287.05521	100.0
288.05792	1.7
299.05484	0.2
303.04797	0.1
317.06549	0.4
329.06519	0.3
449.10825	0.5
453.49249	0.1
478.40778	0.1
560.02252	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.90038	0.4
55.05513	1.7
57.03431	1.4
61.02098	0.4
61.02919	3.7
67.05501	5.5
69.03428	2.1
69.07061	3.2
69.62549	2.0
71.04994	0.8
73.02924	2.1
76.34850	0.4
79.05495	5.8
81.03426	2.1
81.07063	5.4
83.04993	1.3
83.08623	0.9
85.02896	3.6
91.03968	2.1
91.05486	5.1
93.07050	5.1
95.01331	0.7
95.04990	1.8
95.08610	3.7
96.98914	0.4
97.02886	2.8
97.06550	1.3
98.21577	0.5
98.69443	0.4
101.02392	1.5
103.03993	0.4
105.07035	4.5
107.04951	1.0
107.08567	1.9
109.02895	0.7
109.06541	0.7
109.10172	1.6
111.04399	0.4
117.07039	1.6
119.08582	3.3
121.10146	1.2
123.08111	0.5
123.11699	0.4
126.62012	0.4
127.03954	1.4
129.07025	1.2
131.08601	0.8
133.10114	2.7
135.08099	0.5
135.11671	0.7
143.08615	0.7
145.10146	0.9
147.11646	1.8
149.13272	0.5
149.63902	0.4
151.60593	0.3
161.13327	0.7
163.11266	0.7
171.11728	1.5
177.12892	0.5
179.14334	1.2
185.04272	0.5
189.12759	0.5
189.62437	0.4
243.08455	2.6
247.13087	0.9
281.17383	0.5
285.18622	0.4
300.14981	0.4
303.15826	0.5
315.19278	4.1
335.25989	0.9
348.74838	0.5
371.21951	1.5
410.63995	0.4
465.20938	10.4
465.27670	0.5
511.25269	0.5
533.27112	7.1
757.41315	100.0
758.41705	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	757.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01843	0.4
55.05507	0.8
57.03448	1.5
57.07082	2.5
59.05010	0.6
61.02927	4.7
67.05514	2.1
69.03432	3.1
69.07058	1.3
69.85971	1.5
71.01363	0.4
71.04992	1.0
71.08620	2.0
73.02920	3.8
79.05493	2.0
81.03416	3.0
81.07051	3.0
83.04972	0.3
83.08611	1.4
85.02904	4.6
85.06554	0.5
85.10191	1.1
91.03956	2.6
91.05473	1.9
93.07026	1.7
95.04967	0.9
95.08611	2.3
97.02895	4.1
97.06540	0.8
97.10175	0.6
99.04480	0.8
101.02383	1.7
105.07040	1.7
107.08619	1.2
109.02899	0.8
109.10162	0.8
111.04449	0.3
111.08102	0.6
113.06036	0.3
119.08618	0.8
121.10175	1.2
123.08129	0.3
123.11740	0.5
127.03929	1.6
129.07001	0.4
131.08600	1.0
133.10181	1.0
145.05003	0.4
145.10106	0.4
147.11697	0.7
149.09605	1.5
157.10167	1.0
162.44484	0.3
175.11157	0.6
177.79688	0.3
185.04192	0.6
193.12273	0.9
197.15491	0.6
203.05290	0.5
214.05916	0.3
218.88834	0.3
225.14917	0.9
243.08427	2.4
267.15924	0.4
283.15198	3.9
313.27377	1.3
339.18018	0.7
377.35138	0.3
469.20419	0.7
483.21725	0.3
497.30859	6.2
497.37686	0.3
501.23053	12.8
502.23444	0.6
595.42053	0.6
757.47046	100.0
758.47491	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	757.471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	0.4
55.05511	1.0
57.03439	1.6
57.07088	1.7
58.54395	0.2
59.04996	0.5
61.02931	3.9
67.05522	1.6
69.03436	2.2
69.07063	0.9
69.26986	2.3
71.01359	0.3
71.05003	1.0
71.08643	1.7
73.02914	2.3
79.05507	1.3
81.03410	2.7
81.07055	2.3
83.08618	1.4
85.02907	3.3
85.10184	0.7
87.04471	0.3
87.40762	0.2
91.03959	2.4
91.05493	1.5
93.07063	1.3
95.04981	0.8
95.08606	1.9
97.02900	3.6
97.06537	0.4
97.10236	0.2
98.21599	0.4
99.04478	0.6
101.02384	1.9
105.07043	0.8
107.08591	0.7
109.02882	0.6
109.10183	1.0
111.11691	0.3
115.03957	0.4
119.08578	0.7
121.10159	0.8
123.11739	0.4
127.03904	1.3
129.07042	0.4
131.08592	1.0
133.10181	0.5
147.11766	0.7
149.09665	1.0
157.10173	0.7
167.10764	0.3
175.11214	0.4
184.07326	1.4
185.04256	1.0
185.07735	0.3
193.12312	1.0
203.05347	0.3
205.51114	0.2
225.14955	0.5
235.13550	0.2
243.08464	1.9
250.40480	0.2
267.16089	0.7
283.15189	4.3
283.18100	0.3
313.27478	1.1
339.17984	1.0
339.29526	0.2
469.20877	0.7
497.30927	6.7
497.37912	0.4
501.23077	12.9
502.23941	0.4
595.41925	0.4
697.47333	0.4
757.47119	100.0
758.47528	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01874	10.5
55.05513	24.6
55.05762	0.8
57.03439	17.6
57.07074	3.6
59.04988	1.2
61.02925	6.4
65.03939	3.1
66.04690	0.6
67.05506	62.4
67.06039	1.6
68.05817	0.7
68.06246	0.5
68.19593	0.5
69.03433	4.8
69.07069	17.1
71.01325	1.0
71.04992	3.6
71.08620	0.9
71.40150	0.7
71.40492	0.7
71.81054	0.5
73.02914	5.5
74.09702	0.6
75.93539	0.5
77.03915	1.0
79.05494	47.5
80.06248	1.7
81.03418	13.1
81.07059	60.3
82.04189	3.4
83.04980	10.8
83.08619	13.7
85.02899	7.1
85.06548	3.4
87.04462	0.6
91.03954	2.4
91.05484	34.8
92.65734	0.5
93.07047	51.4
94.07284	0.7
94.07825	1.1
95.04973	15.1
95.08609	41.4
96.05719	0.5
97.02891	5.3
97.06530	7.0
97.10174	11.5
98.07317	3.7
99.04418	0.9
99.08095	2.5
101.05997	0.9
103.03968	0.5
103.05460	0.9
104.06229	0.6
105.04484	1.2
105.07032	24.3
106.07784	0.7
107.04969	5.2
107.08598	28.7
109.06532	3.5
109.10159	21.6
111.04414	1.6
111.08080	5.3
113.05979	1.2
115.05399	1.5
116.03960	0.7
116.04707	9.4
117.07024	9.0
119.06063	0.5
119.08587	22.0
120.16187	0.5
121.06456	1.7
121.10147	21.8
121.11021	1.2
123.08101	5.1
123.11702	5.5
125.05988	0.6
125.08772	0.8
125.09633	13.6
127.03851	0.8
127.07516	0.7
127.11165	1.6
127.84351	0.5
128.06204	0.9
129.05486	25.5
129.06952	5.9
130.07755	0.9
131.08566	16.7
133.06468	1.2
133.10132	16.2
134.10837	0.9
135.08047	2.6
135.10698	0.7
135.11694	15.0
136.08806	1.0
136.12468	0.6
137.09627	3.4
137.13216	2.4
139.11166	1.4
141.06924	0.7
142.07744	0.9
143.07051	5.7
143.08492	3.2
143.10646	0.9
145.10130	12.1
147.08009	1.9
147.11682	12.0
149.09595	3.2
149.13240	6.7
151.11157	1.3
151.14810	0.6
153.09079	0.9
153.12729	1.2
155.08545	1.7
155.10628	0.7
157.07448	0.9
157.08571	11.8
157.10083	5.9
159.11687	7.4
161.09601	0.9
161.13249	6.1
163.11191	4.5
163.14799	3.4
164.11992	0.7
165.12759	2.3
169.10201	0.8
171.06560	1.2
171.10138	3.5
171.11697	2.1
173.09607	1.1
173.11737	1.2
173.13237	7.5
175.11183	4.3
175.14796	2.0
177.12782	1.1
177.16328	0.7
181.12244	0.8
183.11694	1.0
185.08159	0.7
185.11691	1.1
185.13239	2.0
187.14818	3.1
189.11208	6.3
189.12753	0.9
191.10637	1.9
193.10558	1.0
193.12238	7.8
193.15993	0.6
195.13789	0.5
197.13217	0.7
199.13266	3.1
199.14851	1.1
200.13995	1.3
201.14760	0.6
201.16412	1.2
203.14384	0.6
209.11661	3.1
209.13383	0.7
210.12509	0.8
211.13272	5.2
211.15050	0.8
215.17957	0.7
217.14218	0.7
220.86484	0.5
221.15424	0.7
227.12772	9.5
229.14291	3.3
231.17361	0.6
231.21146	0.7
233.22610	0.8
241.19485	1.4
243.15871	0.7
243.21078	3.7
253.14545	0.7
255.15880	1.6
259.17877	0.5
259.20453	2.8
261.22141	14.1
262.22598	0.6
267.15842	7.0
268.16132	0.6
273.22083	0.9
277.21631	4.5
283.15408	12.1
285.16916	2.6
287.41360	0.5
299.23486	0.8
299.62305	0.6
301.16455	73.0
302.16769	1.2
315.23257	1.4
316.23779	0.6
317.24704	2.9
333.24277	1.2
335.25800	100.0
336.26172	2.7
351.25287	1.9
369.24011	0.6
389.27054	1.4
417.30527	0.6
433.30405	1.5
451.32114	1.0
469.33127	2.3
487.34140	1.2
489.35770	0.8
507.34253	0.6
525.35748	2.9
527.37354	7.4
543.36865	13.3
543.45416	0.7
544.37329	1.7
545.38507	1.9
561.37860	95.6
562.38214	4.1
579.39099	1.4
748.31805	0.7
757.12689	0.5
759.39355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01880	5.7
55.05267	2.6
55.05516	32.0
55.59472	1.6
57.03440	19.8
57.07077	2.6
60.08176	1.6
60.48624	1.7
61.02928	3.1
64.62666	1.6
65.03941	3.6
67.05509	60.1
69.03436	5.9
69.07079	18.0
70.69146	4.1
70.69463	1.9
71.04991	9.5
79.05499	71.3
81.03425	56.9
81.07063	69.5
83.04995	15.4
83.08625	29.0
85.02912	22.1
85.06556	2.9
86.09717	10.9
91.05487	91.5
93.06477	4.0
93.07053	67.3
95.04978	31.5
95.08616	39.1
97.02889	3.9
97.06533	8.6
97.10183	10.1
98.24202	1.6
98.34715	1.9
99.08091	4.1
101.22071	1.9
105.07040	80.0
107.04969	9.3
107.08598	37.1
109.06532	5.9
109.10180	15.5
111.04449	3.9
111.08075	13.1
113.06007	2.5
115.05457	2.5
117.07020	19.6
119.04943	2.2
119.08592	65.0
121.06487	2.6
121.10151	29.8
123.08092	8.0
123.11720	5.4
125.00030	5.6
125.09632	6.1
128.06194	2.5
129.07001	21.7
131.08577	34.9
133.06499	3.0
133.10146	52.5
135.08064	2.9
135.11728	16.7
137.09631	2.9
139.30315	1.9
141.07007	2.4
142.07785	5.7
143.08568	13.3
145.10133	26.0
147.08090	5.5
147.11707	53.0
149.09630	8.0
149.13260	12.2
155.08543	3.6
157.10156	27.1
159.08095	1.9
159.11707	18.1
161.13261	24.1
163.11201	3.3
163.14792	2.3
165.12817	2.8
165.88338	1.8
169.10188	3.5
171.11697	14.7
173.13271	11.1
175.11229	14.5
175.14859	9.7
183.11691	3.0
184.07358	29.7
185.13268	9.5
187.14882	3.3
189.11255	3.4
193.12270	45.4
195.11673	3.0
199.14842	6.5
209.13341	2.6
211.13290	58.3
213.16393	4.5
227.12799	5.6
229.14423	3.4
231.21103	5.9
241.19518	23.8
257.18991	3.0
259.20612	63.0
265.14426	1.9
267.15930	21.3
269.17526	7.8
275.20187	5.6
277.21631	3.2
283.15411	5.4
285.16986	69.2
297.22232	3.3
315.23257	7.0
320.72034	1.9
333.24289	63.1
349.23950	4.7
351.24884	2.3
403.29306	2.0
421.25787	1.8
433.31192	10.2
439.26712	2.7
451.32156	8.4
459.26767	2.0
469.33240	4.3
507.34290	2.5
515.37299	5.5
525.35803	38.2
526.36426	2.6
543.36859	100.0
544.37134	3.9
561.37921	5.2
773.83545	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	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01879	1.2
55.05268	1.1
55.05513	15.4
57.03438	6.6
57.07061	2.0
59.04988	0.9
59.48476	0.5
61.02920	3.8
65.03933	2.4
67.05504	72.9
69.03417	2.5
69.07069	14.3
71.04592	1.2
71.04993	23.5
72.32699	0.5
73.02909	1.4
73.06555	0.7
77.03888	0.8
77.14851	0.6
79.05493	39.8
80.38488	0.5
81.03428	1.0
81.07057	100.0
83.04994	4.3
83.08616	8.9
85.02903	3.3
85.06544	9.4
87.04460	0.6
91.03968	1.2
91.05480	31.1
93.07042	42.7
95.04969	2.6
95.08605	31.5
97.02914	1.6
97.06515	4.9
97.10152	3.1
98.20698	1.0
99.08089	1.3
101.06017	0.6
105.04515	1.2
105.07030	19.6
107.04951	0.7
107.08595	23.3
109.06530	2.8
109.10153	14.1
111.08095	2.4
113.06033	0.7
115.05424	0.7
115.45217	0.6
117.07019	6.5
119.08577	9.6
119.09359	0.8
121.10145	18.3
123.08082	1.3
123.11706	15.8
125.00039	1.0
125.09608	0.9
131.08565	8.8
133.10130	20.5
135.11679	10.6
137.13229	0.8
143.08575	1.2
145.10103	4.5
147.11690	5.1
149.09680	0.7
149.13266	6.2
151.11176	7.3
153.12740	1.4
154.68237	0.6
155.03401	0.6
157.10132	1.1
158.74362	0.6
159.11697	6.0
159.40407	0.6
161.13260	2.9
163.14792	1.1
165.12740	0.6
169.12250	1.3
171.11697	0.7
173.13286	2.5
175.14763	0.8
177.12747	2.2
183.11731	0.9
183.13809	2.7
184.07341	3.2
187.13283	3.8
187.14781	1.3
195.13821	1.9
199.14920	0.8
201.14861	1.1
201.16594	0.7
215.18195	0.6
227.16420	2.1
243.15907	0.9
243.21315	0.6
253.18033	0.9
257.17520	2.5
259.20511	0.8
261.22192	2.4
269.17490	6.7
301.20096	23.2
317.24884	0.9
333.24405	0.7
335.25812	25.9
411.32602	1.4
437.34119	1.2
455.35110	0.8
485.36151	4.1
503.37296	94.9
504.37485	3.6
511.37744	1.5
517.38715	4.4
529.38879	17.7
530.39331	0.9
547.39642	0.8
558.80493	0.7
561.41498	94.1
562.42035	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	759.3923
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03942	0.8
55.01874	1.1
55.05514	2.1
57.03435	1.7
58.25974	0.5
59.66080	0.5
59.70309	0.6
60.77771	0.6
61.02937	4.3
67.05508	3.7
69.03432	2.2
69.07072	3.6
71.54852	0.8
73.02921	3.0
79.05499	4.4
81.03429	3.2
81.07064	5.2
82.01515	0.5
83.01368	0.6
83.04994	1.0
83.08636	1.7
85.02905	4.5
91.03970	1.9
91.05484	3.8
91.48589	0.6
93.07040	5.0
95.04977	1.2
95.08621	2.1
97.02917	3.7
97.06541	1.1
99.04468	0.8
101.02387	1.7
105.07024	4.5
107.04984	1.6
107.08606	2.2
109.02915	0.7
109.06563	1.2
109.10155	1.0
116.43658	0.6
117.07043	1.6
119.08570	3.2
121.06543	0.5
121.10185	1.5
125.92837	0.6
127.03977	1.0
131.08591	1.1
133.10141	2.9
135.08017	0.6
135.11714	1.5
145.10185	2.1
147.11745	1.6
149.09592	1.1
159.11748	1.0
161.13364	0.7
163.11226	1.8
179.14331	1.1
185.04289	0.5
193.33008	0.6
243.08440	2.4
275.20132	0.8
283.15503	0.8
315.19168	3.0
371.21890	1.0
377.17749	0.7
467.18912	6.5
533.27319	10.1
544.36389	0.7
582.94592	0.6
591.78717	0.6
739.79028	0.5
759.39264	100.0
760.39502	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	760.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01869	3.2
55.05511	20.8
57.03436	18.3
57.07076	1.8
60.08163	5.4
61.02924	6.0
65.03939	4.1
67.05508	69.7
68.05820	1.3
69.03439	6.0
69.07072	16.4
69.79908	6.6
71.04988	6.5
71.07394	2.0
73.02914	3.3
79.05499	47.3
81.03423	75.2
81.07063	71.2
81.07455	1.4
83.04983	7.2
83.08625	18.5
85.02911	7.7
85.06549	2.7
86.09717	23.4
91.03971	3.4
91.04900	1.6
91.05482	42.5
93.07048	57.2
94.07383	2.6
95.04979	25.1
95.08612	49.1
97.02904	5.9
97.06535	7.4
97.10172	8.2
98.21468	1.6
98.98512	4.4
99.04487	2.0
104.10748	1.6
105.04533	1.8
105.07030	30.5
107.04952	6.6
107.08607	29.2
108.08936	1.9
109.06519	4.8
109.10157	17.5
111.08086	8.8
111.87576	1.2
115.05470	3.0
117.07051	10.3
119.08592	28.9
121.06540	5.1
121.10146	26.0
123.04430	1.5
123.08081	3.9
123.11728	6.9
125.00018	16.1
125.00893	2.0
125.09628	4.1
128.06366	1.8
129.06999	10.8
131.08578	19.5
133.06522	3.5
133.10132	16.8
135.08105	2.3
135.11705	16.7
137.09624	2.3
137.13263	2.5
142.07816	3.5
143.08586	3.3
145.10136	14.1
147.08035	3.3
147.11688	18.9
149.09622	6.3
149.13278	8.4
151.11243	2.4
155.08588	2.0
157.10139	9.2
159.11703	10.5
161.13295	5.8
163.11252	2.6
163.14839	4.4
165.12767	3.4
169.10204	2.7
171.11719	3.2
173.13264	6.2
175.11188	8.4
175.14848	3.9
183.11765	1.6
184.07353	72.7
185.13329	2.3
187.14847	2.9
189.11250	3.8
193.12280	18.9
209.13400	1.5
211.13287	2.9
227.12894	6.7
235.13255	1.6
243.08549	2.9
243.21149	5.2
247.13187	2.0
249.14787	1.9
259.20493	1.8
261.22168	14.6
267.15924	91.4
268.16144	1.7
283.20651	1.7
285.17081	5.4
301.25439	5.5
309.16934	2.0
317.24783	4.3
333.24512	1.5
335.25818	83.8
336.26227	3.4
417.31754	1.4
421.25668	1.4
435.27597	2.7
435.32846	5.7
453.33664	11.3
465.21329	4.8
466.21497	4.4
471.34622	5.6
509.36307	3.6
527.37323	60.0
528.37836	1.6
535.29138	3.1
536.29230	4.7
545.38367	61.0
546.39319	2.0
563.39539	5.7
569.38409	3.6
635.39801	1.6
710.43713	6.0
760.43225	100.0
761.41272	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	761.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66297	0.5
57.03434	0.9
67.05500	2.2
69.07093	0.8
79.05497	1.6
81.07053	1.9
83.05002	0.7
91.05507	0.8
93.07043	1.0
95.08599	0.9
97.02901	0.7
98.20674	1.0
107.08602	0.6
108.38609	0.6
111.22989	0.6
184.07419	1.0
197.67410	0.6
198.80061	0.8
238.34792	0.6
242.54478	0.6
283.15472	0.7
289.01761	0.6
337.27554	0.7
338.27469	0.7
535.26599	1.7
546.38855	1.7
715.40955	0.8
761.38678	100.0
762.39362	4.7
774.26648	0.6
789.29651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05494	0.9
56.96556	0.4
57.03423	1.5
59.05001	1.3
61.02927	3.9
65.03931	0.4
67.05501	3.0
69.03439	3.0
69.07045	0.6
70.70222	0.8
71.05000	2.0
73.02915	2.6
74.98360	0.3
79.05486	2.9
81.03421	5.6
81.07051	2.8
83.04977	0.7
83.08641	1.6
85.02901	4.3
85.06570	0.4
87.04485	1.0
88.94668	0.4
91.03943	2.4
91.05478	4.0
93.07043	2.7
95.04972	1.3
95.08624	1.4
97.02876	3.1
97.06541	1.0
98.97584	2.4
99.04465	0.9
101.02386	1.1
103.03959	0.5
105.07040	2.5
107.04942	0.8
107.08602	1.5
109.02874	0.5
109.06451	0.5
109.10171	0.6
111.08107	0.7
116.98605	0.7
119.08601	1.6
121.10159	2.4
123.01994	0.3
125.34386	0.3
127.03925	1.3
128.98613	0.4
129.07007	1.4
131.08614	2.1
133.10114	1.7
143.00168	0.8
145.10184	0.5
147.11671	2.3
149.09637	2.8
154.27692	0.4
157.10139	1.4
158.99684	0.8
161.01205	0.5
165.09251	0.4
170.99687	0.9
173.01250	0.6
175.00485	0.4
175.11232	1.5
177.00758	0.6
189.00633	0.4
193.12244	2.3
194.99641	0.6
201.00806	0.9
219.01712	2.9
225.14842	1.4
235.13411	0.4
237.02843	2.2
243.08455	2.1
255.16119	0.4
261.02994	1.1
267.15842	1.9
279.03818	2.4
283.15170	7.3
283.18063	0.5
297.02863	0.4
321.05017	1.1
335.02887	0.6
339.17850	2.1
344.60764	0.4
363.06033	1.1
381.07108	1.2
405.31848	0.4
419.04996	0.8
419.10904	0.3
423.08096	0.8
469.20416	1.0
501.23071	32.3
502.23413	1.0
559.11688	0.5
575.01190	0.4
599.34314	1.0
620.03711	0.3
761.39258	100.0
762.39777	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05506	1.1
55.46272	0.4
57.03430	1.8
61.02925	3.4
62.37367	0.4
67.05509	3.3
68.33337	0.4
68.74333	0.5
69.03435	2.5
69.07059	1.6
69.44425	3.8
71.01370	0.9
71.04999	0.5
73.02924	2.8
79.05495	3.5
81.03417	2.3
81.07037	3.4
83.04986	1.1
83.08614	1.0
85.02903	4.6
86.09723	0.5
87.04442	0.5
91.03961	2.9
91.05473	3.4
93.07047	4.1
95.04980	1.6
95.08633	2.4
97.02871	3.6
97.06550	0.5
99.04456	0.9
101.02386	1.3
103.03938	0.5
105.07038	2.9
107.04956	0.5
107.08588	2.9
109.02831	0.8
109.06528	0.5
109.10167	1.0
111.04441	0.7
117.07019	1.1
119.07817	0.5
119.08532	2.3
121.10166	1.4
123.08122	0.8
127.03937	0.9
131.08568	1.0
131.97089	0.4
133.10178	1.6
135.07983	0.5
135.11682	1.8
143.08641	0.6
145.10138	1.7
147.11688	0.7
157.10132	0.6
162.43245	0.5
163.11121	2.2
171.11673	0.5
175.14832	0.5
184.07367	1.3
185.04218	0.9
187.11163	0.4
243.08426	3.1
258.30109	0.6
283.15607	0.8
301.08920	0.8
465.20953	1.1
467.18921	7.4
469.20306	1.3
533.26831	0.7
535.28540	3.4
619.80560	0.6
663.33710	0.5
761.40747	100.0
762.41205	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.79316	0.3
54.87220	0.3
55.01863	0.7
55.05501	1.1
56.38592	0.3
57.03429	1.9
61.02924	3.8
65.03937	0.4
66.29401	0.4
67.05504	3.4
69.03429	3.0
69.07069	3.2
70.38320	1.1
71.01370	0.4
71.05000	0.4
73.02917	3.0
76.01613	0.3
79.05493	3.2
81.03418	3.4
81.07064	4.3
83.04983	1.3
83.08628	1.2
85.02905	4.6
86.09704	1.1
87.04475	0.3
91.03954	2.3
91.05482	4.3
91.59569	0.3
93.07056	3.0
95.01337	0.9
95.04982	1.5
95.08611	3.0
97.02884	3.6
97.06534	1.3
97.10195	0.5
99.04448	0.9
101.02375	1.7
105.07037	4.7
107.04967	1.4
107.08594	1.8
109.02886	0.6
109.06510	0.4
109.10172	0.5
111.08101	0.5
115.03960	0.3
117.07064	0.9
119.08580	2.7
121.06487	0.6
121.10159	1.3
123.08143	0.4
123.11706	0.3
127.03946	0.9
129.06999	0.7
131.08586	2.2
133.10118	2.3
135.11681	0.6
145.10139	1.2
147.08051	0.3
147.11749	1.7
149.09619	1.1
157.10199	0.7
159.11728	0.7
161.13309	0.5
163.11253	0.8
179.14311	0.7
184.07335	3.2
185.07700	0.5
193.12318	1.3
203.05273	0.5
211.13367	0.4
243.08368	2.8
248.80385	0.3
251.12595	1.4
251.50491	0.3
255.09033	0.4
267.09274	0.4
275.20255	0.5
285.10135	0.6
285.18100	0.5
307.15250	0.7
315.19299	3.4
371.21878	1.5
469.20496	6.8
533.27264	9.8
599.36035	0.4
761.40790	100.0
762.41272	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.10867	0.3
53.42031	0.2
53.83303	0.3
55.01863	0.6
55.05512	1.4
57.03444	1.7
61.02928	4.1
67.05505	3.4
69.03427	2.6
69.07072	2.4
71.04992	0.8
73.02924	2.7
79.05489	2.9
81.03416	3.8
81.07063	3.8
82.07389	0.3
83.04984	1.1
83.08624	1.6
85.02908	5.7
86.09696	0.4
90.40059	0.2
91.03955	2.4
91.05492	4.0
93.07055	2.7
93.24037	0.3
95.01340	0.3
95.04975	2.3
95.08593	2.1
97.02893	3.9
97.06535	1.0
98.20712	0.7
99.04456	0.6
101.02374	1.6
103.03921	0.3
105.07032	4.0
107.04964	1.5
107.08599	1.4
109.02892	0.8
109.06519	0.6
109.10162	0.8
111.08107	0.8
113.06044	0.3
116.49834	0.3
117.07027	0.9
119.08593	2.4
121.10163	1.0
123.08106	0.4
127.03930	1.1
129.06992	0.7
131.08583	1.6
133.10136	2.2
135.11650	0.3
145.10141	1.0
147.11642	1.5
149.09671	0.8
149.13228	0.3
157.10184	1.0
161.13348	0.4
163.11172	0.3
165.12834	0.3
175.11247	1.3
179.14383	0.7
184.07396	1.0
193.12286	1.7
203.05327	0.7
211.13359	0.4
229.04185	0.3
239.39828	0.3
243.08366	2.8
251.12596	0.9
256.16339	0.3
307.15222	0.4
315.19278	4.7
371.22092	0.8
457.22870	0.3
469.20490	11.3
533.27234	4.7
681.37061	0.3
761.40790	100.0
762.40924	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
57.03427	2.6
61.02917	3.8
67.05498	6.2
69.03426	4.0
69.07070	3.4
71.04984	1.4
71.53941	1.1
73.02919	2.5
79.05493	4.1
81.03417	1.8
81.07053	7.6
82.66056	0.9
82.88046	0.9
83.04948	1.0
83.08603	1.5
85.02911	3.9
91.03957	3.1
91.05472	3.9
93.07046	5.2
95.04967	1.9
95.08601	2.9
97.02905	4.6
97.06518	1.2
97.10174	1.1
99.04488	1.2
101.02388	1.9
105.07057	1.5
107.08601	3.5
109.06528	0.9
109.10171	1.9
111.08102	1.1
117.07007	1.5
117.33672	1.0
119.08603	1.1
121.10152	2.6
125.09653	1.2
127.03894	2.0
131.08632	2.0
133.10132	1.4
135.11725	1.4
149.13332	1.5
159.11729	1.4
163.11127	1.0
165.42398	0.9
167.13419	0.9
184.07355	4.7
223.13235	1.1
243.08578	2.7
291.20102	1.0
341.11084	1.1
383.42072	1.1
387.12201	1.1
453.20914	8.8
471.34976	1.1
497.31061	1.3
526.23633	1.3
549.27014	2.7
575.82141	1.2
663.22174	1.0
761.40765	100.0
762.41174	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	762.492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.05043	0.9
58.06351	0.2
58.06600	0.4
59.07415	0.3
60.08166	6.1
61.02929	0.8
61.38052	0.2
65.07590	0.2
67.05516	1.8
69.03445	0.4
69.07088	0.5
69.87509	1.3
71.07376	3.7
73.02927	0.5
79.05508	0.9
81.03419	0.9
81.07069	1.9
82.07415	0.3
83.08634	0.4
85.02911	0.7
86.09711	29.9
91.03977	0.5
91.05491	0.7
93.07042	0.8
95.04991	0.3
95.08617	1.1
97.02902	0.6
97.10182	0.3
98.98476	3.5
99.04428	0.3
104.10743	1.8
105.03418	0.2
105.07048	0.6
107.08606	0.5
109.10156	0.6
109.26210	0.2
119.08627	0.7
121.59480	0.2
125.00012	21.3
133.10101	0.3
135.11720	0.2
184.07352	100.0
185.07700	0.5
267.15857	0.6
299.18527	0.2
335.25757	0.3
337.27203	1.0
347.57053	0.2
388.09790	0.2
455.35223	0.2
519.29047	0.5
520.29504	0.3
529.38507	0.4
547.39404	0.6
575.98083	0.2
613.34473	0.3
712.45483	8.4
713.45215	0.5
745.41772	0.5
762.27734	0.4
762.41113	5.9
763.42200	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	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05516	0.3
56.05043	0.6
57.03443	0.3
58.06364	0.2
58.06614	0.5
60.08165	6.1
61.02907	0.3
66.88992	0.2
67.05504	1.4
69.03424	0.3
69.07086	0.4
71.07368	3.3
79.05499	0.6
81.03425	2.0
81.07048	1.6
83.05006	0.2
83.08614	0.4
85.02892	0.3
86.09707	29.1
88.07584	0.2
88.55624	0.2
91.05486	0.6
93.07043	0.7
95.04968	0.5
95.08615	1.1
97.10171	0.2
98.21445	0.4
98.98466	3.2
104.10735	2.3
105.07027	0.6
107.08620	0.5
109.10167	0.4
119.08604	0.6
121.10167	0.4
125.00006	19.1
133.10115	0.3
135.11732	0.3
140.78082	0.2
184.07339	100.0
185.07709	0.6
193.12276	0.4
267.15860	1.4
329.32193	0.2
337.27335	1.3
344.51202	0.2
400.36630	0.2
441.49393	0.2
447.79123	0.2
450.97952	0.2
475.01379	0.2
529.38904	1.0
547.40118	1.0
712.45459	9.0
713.45514	0.4
762.40100	1.0
763.41455	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
60.08161	1.3
61.02919	0.9
67.05527	0.8
69.03431	0.5
71.07381	0.5
73.02943	0.5
79.05510	0.6
81.03416	0.7
81.07063	0.9
85.02910	0.9
86.09716	4.6
87.10044	0.9
93.07063	0.8
95.08630	0.9
97.02933	0.9
98.20702	0.7
98.98486	0.6
107.08634	0.6
109.10159	0.4
125.00017	2.6
145.10213	0.4
184.07359	15.7
185.07684	2.3
224.66946	0.3
266.12204	0.3
267.09262	0.7
285.10025	0.5
291.32977	0.3
311.20416	0.3
467.19037	0.8
485.18533	0.3
519.29510	0.8
535.26544	0.7
571.83081	0.3
713.45581	2.0
745.41498	1.2
763.40503	100.0
764.40839	5.0
768.10822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.4
60.08179	2.4
61.02926	0.7
67.05505	1.2
67.43114	0.3
69.07059	0.4
69.59706	0.3
69.86337	1.7
71.07375	1.1
73.02925	0.5
79.05495	1.0
81.03452	0.8
81.07057	0.9
82.97923	0.3
83.08684	0.4
85.02927	0.6
86.09715	11.9
87.10043	1.7
91.03954	0.8
91.05500	0.7
93.07040	0.5
95.04980	0.5
95.08621	0.9
97.02908	0.8
98.21404	0.6
98.98486	1.1
101.56522	0.3
104.10755	1.2
107.08649	0.6
109.10141	0.7
121.10151	0.3
121.66100	0.3
125.00012	9.2
126.00376	0.7
184.07353	40.4
185.07716	5.8
222.35196	0.3
267.09158	1.3
267.16098	0.4
285.10202	0.7
287.47754	0.4
467.19031	0.7
485.17664	1.4
519.29175	0.8
713.45825	4.3
717.42102	0.5
745.40576	1.0
763.40466	100.0
764.40747	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	763.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01880	0.7
55.05512	2.0
57.03441	2.1
60.08162	3.1
60.74147	0.5
61.02929	6.4
65.03954	0.6
67.05508	6.4
67.18244	0.5
69.03430	4.1
69.07067	1.8
69.47278	3.0
71.01347	0.7
71.05007	0.7
71.07378	1.9
73.02917	4.4
79.05495	4.4
81.03428	3.1
81.07060	5.2
82.79492	0.4
83.04967	0.8
83.08625	1.0
85.02907	6.5
86.09710	15.4
87.10039	2.5
91.03961	3.4
91.05479	3.0
93.07044	5.4
95.04984	0.9
95.08604	4.1
97.02897	5.9
98.21490	0.8
98.98483	1.5
99.04446	1.3
101.02384	1.7
104.10727	0.9
105.07044	1.4
107.08578	2.2
109.02875	1.0
109.10175	2.1
117.07030	0.5
119.08601	1.6
121.10139	2.5
123.11632	0.5
125.00008	11.1
125.00888	0.8
126.00365	0.6
127.03967	1.8
131.08606	1.0
133.10155	1.4
135.11716	1.5
143.99933	0.4
145.10150	1.5
147.11732	0.9
159.11679	0.7
163.11215	1.5
173.09564	0.5
182.80234	0.5
184.07343	53.9
185.04227	0.6
185.07707	8.2
191.10760	0.5
209.11662	0.8
243.08487	2.1
249.11057	1.4
267.12207	1.7
267.16046	1.1
335.25729	0.7
338.27811	0.5
441.17380	1.7
467.19147	2.3
485.19965	2.9
519.29266	6.8
530.39233	1.1
675.42035	0.5
713.45795	6.0
717.42438	0.7
719.39551	1.2
745.41229	6.3
763.42273	100.0
764.42285	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.5
55.05516	1.3
57.03445	1.8
61.02929	4.8
67.05509	3.1
69.03432	2.7
69.07055	1.0
69.91560	0.9
69.91969	0.5
70.06642	0.2
71.01329	0.4
71.04993	0.8
73.02931	3.1
78.06210	0.2
79.05492	3.6
81.03419	3.4
81.07054	3.3
83.04982	1.0
83.08620	0.9
85.02903	5.5
85.03422	0.3
85.79768	0.3
86.09702	0.8
87.04468	0.5
91.03963	2.8
91.05482	3.8
93.07043	3.7
95.04967	1.4
95.08597	1.6
97.02887	3.9
97.06547	0.5
99.04485	1.1
101.02377	1.7
103.03967	0.4
105.07041	2.7
107.04937	0.3
107.08603	1.6
109.02898	0.6
109.06563	0.3
109.10155	0.7
111.08102	0.7
113.06001	0.3
115.03933	0.4
117.07021	0.5
119.08579	2.1
121.10149	1.3
123.08125	0.3
125.00014	0.4
127.03051	0.2
127.03873	1.4
129.03894	0.2
129.07008	0.7
131.08543	1.7
133.10126	2.2
135.11713	0.6
137.09680	0.3
145.04974	0.3
145.10133	0.4
147.11726	1.4
147.20273	0.2
149.09653	0.7
149.13239	0.3
152.44812	0.3
157.10164	0.9
159.11720	0.3
161.13226	0.3
175.11171	0.3
179.55313	0.3
184.07306	1.5
185.04279	0.9
193.12241	1.7
203.05261	0.5
204.25893	0.3
211.13330	0.6
223.09277	0.3
243.08427	3.3
251.12611	1.1
259.20651	0.6
263.60379	0.3
285.17145	0.2
301.08865	1.3
307.15125	0.7
313.08887	0.3
315.10449	0.6
317.20853	0.8
327.68884	0.4
333.19595	0.4
338.88260	0.3
371.17267	0.3
373.11212	0.5
383.16714	0.4
387.12762	0.3
410.59955	0.3
443.18848	0.5
465.21069	0.7
469.20490	11.9
470.21146	0.4
515.66547	0.3
535.28815	4.0
541.22815	0.9
569.25842	0.4
625.31683	0.6
763.42346	100.0
764.42670	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	763.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05505	1.6
57.03434	2.4
57.07074	0.7
57.68101	0.5
61.02929	4.3
67.05518	3.7
69.03430	3.3
69.07071	1.7
70.19871	2.2
71.04988	0.6
73.02921	3.9
79.05491	3.1
81.03419	1.7
81.07059	2.8
83.01102	1.2
83.08613	1.4
85.02907	6.3
85.06544	0.6
86.09702	1.5
91.03949	3.8
91.05489	2.0
93.07047	2.9
95.01071	0.8
95.04987	0.9
95.08624	2.5
96.01897	0.8
97.02896	5.2
97.10160	0.7
97.96909	0.5
99.04463	1.3
101.02379	1.7
103.03985	0.8
105.07050	1.4
107.08590	1.8
109.02864	0.9
109.10175	0.9
115.03936	0.6
117.05519	0.9
119.08596	0.9
121.10140	1.6
121.53487	0.6
125.00031	1.6
127.03915	2.2
127.11185	0.9
129.05518	1.9
135.11710	1.2
143.07002	0.8
145.05014	0.8
165.27501	0.5
181.04756	0.8
184.07347	4.2
185.04227	8.9
185.07687	1.0
187.14876	0.6
199.05800	0.8
201.03674	2.7
203.05351	1.0
217.80428	0.6
227.05191	0.9
241.07074	0.7
243.08426	4.9
259.07993	1.1
267.09241	0.8
301.08954	19.7
313.09012	1.2
315.10464	5.8
327.10611	1.0
329.12112	1.1
335.25925	1.1
337.19473	0.6
341.12283	1.8
343.13663	1.6
355.13705	1.6
357.15332	2.3
369.15283	1.6
371.16946	2.1
373.11020	7.4
373.15085	0.8
383.16965	1.5
385.18332	11.5
387.12766	1.7
399.25128	0.9
401.14233	0.9
413.26630	0.8
415.15717	1.2
423.20074	0.6
429.17459	3.5
455.18710	0.9
457.20511	2.0
467.19165	1.1
469.20590	3.8
470.21259	1.0
471.22888	0.6
483.22302	1.1
483.34387	3.4
485.19720	0.8
509.23743	1.8
513.27075	1.1
519.29364	15.0
523.24841	1.0
535.28882	0.7
537.26697	0.8
549.26941	1.2
567.31842	0.8
578.30762	9.9
591.31342	6.6
605.32770	1.1
610.29510	0.9
619.34631	2.4
633.35736	0.8
661.39105	4.5
662.39813	6.6
679.40277	2.5
703.40179	1.6
717.41217	1.5
720.79962	0.6
745.41125	3.1
746.42004	1.3
761.80365	0.7
763.42261	100.0
764.42578	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01871	0.7
55.05510	1.5
57.03439	3.0
57.07069	0.5
60.08174	0.5
61.02930	5.1
67.05508	4.0
69.03435	2.9
69.07072	1.1
69.16427	1.1
69.16846	2.7
71.07370	0.4
73.02916	3.8
79.05501	2.2
80.48531	0.3
81.03436	2.0
81.07066	3.4
83.01105	1.1
83.04987	0.4
83.08631	1.2
85.02905	5.3
86.09726	2.9
87.04458	0.3
87.99368	0.4
91.03962	4.5
91.05495	2.0
92.78240	0.4
93.07043	2.4
94.77862	0.3
95.01089	0.7
95.04969	0.5
95.08602	2.6
96.01899	0.5
97.02908	5.2
97.06513	0.5
98.20660	0.6
98.98496	0.4
99.04466	1.0
101.02388	1.4
103.03976	0.4
105.07056	1.0
107.08577	1.8
109.02894	1.1
109.10177	1.6
111.07984	0.4
115.03950	0.5
117.05534	0.6
117.07036	0.5
119.08611	1.0
121.10152	1.7
123.04150	0.6
123.11709	0.4
124.99993	1.8
125.02203	0.4
125.98398	0.4
127.03934	1.5
129.05486	1.8
131.08585	1.1
133.10138	0.8
135.11719	1.0
139.03706	0.3
145.05057	0.7
147.11693	0.6
157.04752	0.6
159.11784	0.4
161.13220	0.5
173.13289	0.4
175.14760	0.4
181.04738	1.5
184.07343	9.9
185.04225	6.6
185.07759	1.2
195.06282	0.6
201.03798	1.6
201.07622	0.5
203.05371	0.9
209.55286	0.4
215.34883	0.4
227.05154	0.5
241.06969	0.6
243.08429	3.8
251.12560	0.5
261.22110	0.4
267.09268	0.5
301.08969	12.7
313.09238	0.6
315.10477	3.5
317.08661	1.1
327.10828	1.0
329.12500	0.4
335.25912	1.1
337.27347	0.5
341.12033	0.7
343.13782	1.0
355.13837	0.6
357.15381	1.0
369.15091	2.1
371.16769	2.1
373.11127	7.5
383.16940	1.1
385.18369	6.4
387.12726	1.0
399.25006	0.8
409.18921	0.5
411.19888	0.4
415.15799	0.8
423.19992	0.9
429.17282	3.0
457.20682	1.5
463.23508	0.5
467.19034	0.7
469.20255	3.2
473.32938	0.4
483.21896	0.8
495.21860	0.5
497.23749	0.5
509.23566	2.0
519.29285	15.2
523.25549	0.8
537.26886	0.4
548.40381	0.5
549.26831	1.2
567.31744	0.5
577.30859	0.7
578.30676	8.3
591.31433	5.8
592.31470	0.5
605.33179	1.8
607.34601	0.7
609.31659	0.6
610.29669	0.9
619.34692	1.7
633.35803	1.1
647.35889	0.6
661.39172	4.4
662.40051	6.0
679.40204	1.8
691.39252	0.5
701.42279	0.5
703.40222	1.4
713.45831	0.8
717.41943	0.8
718.42505	0.5
745.41235	3.5
746.41907	1.1
763.42017	100.0
764.42578	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01847	1.1
55.05515	3.8
57.03432	1.9
57.07074	2.7
61.02937	17.7
67.05511	8.3
69.03422	4.3
69.06723	1.6
69.07073	17.0
70.13853	3.6
71.01358	1.1
73.02924	6.6
74.65231	0.9
79.05475	6.1
81.03400	2.6
81.07064	16.1
83.08620	4.3
85.02915	33.1
86.09718	1.5
91.03967	14.2
91.04948	1.6
91.05476	12.1
93.07047	14.1
95.01345	8.4
95.08616	25.2
97.02890	15.8
97.10183	3.4
99.04471	1.3
101.02358	1.4
103.03976	1.5
105.07043	25.6
107.08605	21.1
109.02949	1.6
109.06551	1.1
109.10165	17.3
111.08085	1.9
111.11716	1.5
113.02379	4.1
115.03947	1.2
117.07052	3.6
119.08591	64.5
121.06509	1.5
121.10149	18.7
123.00830	1.0
123.08105	1.2
123.11720	9.0
127.03955	6.1
131.03397	2.1
131.08629	6.4
133.06491	3.9
133.10138	32.3
135.08046	8.1
135.11691	11.9
137.13228	3.4
139.11201	1.3
141.01843	27.5
143.08553	4.2
144.09393	1.1
145.04985	5.9
145.10149	9.5
147.08038	4.6
147.11699	19.4
149.02348	2.0
149.13275	8.7
157.10104	4.2
159.02919	3.2
159.11694	8.0
161.09616	2.2
161.13274	10.5
163.06047	6.4
163.14825	5.1
169.10133	1.2
171.11667	2.0
173.13332	5.9
175.14833	29.7
177.16377	3.4
179.14384	1.8
184.07303	2.2
185.13264	4.6
187.14796	6.3
189.16406	19.8
191.14302	9.0
191.17960	7.8
193.15759	1.6
199.14827	3.8
201.12779	6.2
201.16382	7.2
203.14342	69.2
203.17926	19.6
204.14656	1.3
205.15904	13.8
205.19481	8.3
207.17502	1.8
213.16377	2.6
215.14398	2.0
215.17986	2.7
217.15900	85.5
217.19473	4.7
219.17348	1.4
225.16357	1.4
229.19746	1.5
241.19554	1.2
251.17902	1.2
255.17464	1.3
271.20370	1.3
379.33588	7.9
389.31952	9.3
407.33115	100.0
408.33350	3.0
425.34164	78.2
426.34506	1.8
474.14218	1.5
601.37634	8.9
763.42499	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	763.4258
Annotation	Ilekudinoside P
Peak:m/z	Relative Intensity
53.03956	1.0
55.05510	2.4
55.06065	0.5
55.87385	0.6
57.03434	2.2
57.07080	1.1
60.95502	0.5
61.02927	8.4
61.13010	0.5
67.05504	3.4
69.03441	4.1
69.07072	4.5
71.01360	2.1
71.04996	0.6
71.53922	0.9
73.02926	6.1
79.05505	2.0
81.03440	1.6
81.07057	7.8
83.05025	0.6
83.08610	1.2
84.69991	0.7
85.02909	15.3
85.96027	0.5
86.09705	1.2
91.03967	5.9
91.05466	3.7
93.07040	5.7
95.01344	1.8
95.08604	11.9
97.02904	8.3
97.10148	0.8
99.04472	1.0
101.02402	1.9
105.07033	8.7
107.04963	1.4
107.08596	6.4
109.02879	1.3
109.10157	6.5
113.02365	2.3
115.03926	0.9
117.07011	0.8
119.08577	9.4
121.06543	1.7
121.10152	5.4
123.11722	2.8
127.03940	1.6
129.07031	1.2
131.03426	1.9
131.08592	1.6
133.06493	9.3
133.10143	7.1
135.08093	1.5
135.11708	3.9
137.09647	0.8
137.13261	1.7
141.01848	4.7
143.08577	1.0
145.04933	1.2
145.06522	0.9
145.10172	1.9
147.08064	5.4
147.11697	5.2
149.13268	2.1
157.06476	0.6
157.10175	2.5
159.02957	1.1
159.08092	1.9
159.11720	2.5
161.09604	4.6
161.13248	4.8
163.06013	0.7
169.10144	1.1
171.11717	1.3
173.09654	1.6
173.13336	1.9
174.10480	0.8
175.11205	10.5
175.14853	2.1
177.12772	1.9
182.58409	0.5
183.11763	1.4
184.07310	2.6
185.13229	0.5
187.11185	1.3
187.14905	1.5
189.12732	5.9
189.16373	4.0
191.14438	0.9
191.17844	0.6
197.13348	0.6
199.11220	0.7
201.12827	1.9
201.16463	2.3
203.14328	27.8
203.18045	1.1
205.15878	1.3
213.12790	0.9
213.16406	1.1
215.14413	2.0
215.18015	1.8
217.15891	15.3
217.19572	1.2
225.16586	0.7
227.14325	1.1
227.17979	2.1
229.15961	2.0
231.17529	1.0
241.15979	1.3
243.17450	7.8
251.17950	0.6
255.17497	5.1
257.19086	1.9
267.21298	0.7
269.19046	1.6
271.20676	2.2
283.20636	1.3
285.22681	0.8
297.22421	1.0
389.26877	0.6
389.32022	1.1
407.33008	12.9
425.34100	11.4
425.39270	0.8
601.37213	2.0
670.51904	0.6
763.42584	100.0
764.42975	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	763.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01842	0.7
55.05512	5.6
57.03436	2.9
57.07052	2.0
57.07312	0.6
61.02927	15.8
67.05505	7.6
69.03426	4.6
69.07063	17.6
71.01331	1.9
71.53760	0.9
73.02915	7.2
77.03912	0.8
79.05491	7.1
80.09666	0.7
81.03398	1.8
81.07056	16.1
83.01313	1.0
83.08620	4.1
83.27982	0.6
85.02905	33.0
86.09698	1.2
91.03957	11.9
91.05476	11.4
93.06480	1.2
93.07040	17.2
95.01321	10.5
95.04978	1.2
95.08605	28.8
97.02293	1.1
97.02892	15.3
97.06500	1.4
97.10175	3.6
99.00797	1.5
99.04444	1.0
101.02317	0.7
103.03932	1.2
103.05455	1.0
105.04507	0.7
105.07027	27.7
106.07675	0.6
107.08595	24.6
109.02869	1.7
109.06548	0.9
109.10154	18.4
111.08067	1.5
111.11695	0.6
113.02379	4.2
115.03920	1.5
116.04666	0.6
117.07014	2.4
119.08578	67.5
121.06476	2.3
121.10135	16.3
123.08032	1.0
123.11697	8.9
125.00005	0.8
127.03913	6.6
128.06187	0.9
129.07008	1.5
129.19337	0.7
131.03387	1.7
131.08586	6.4
133.06471	5.1
133.10132	32.2
134.10426	0.7
135.08044	8.5
135.11682	15.2
137.09593	0.9
137.13242	2.9
141.01826	29.1
142.07712	1.6
143.08583	4.8
144.09335	0.8
145.04967	6.3
145.10141	9.4
147.08026	4.9
147.10518	1.1
147.11685	20.8
149.09618	1.4
149.12181	0.8
149.13263	9.5
151.11145	0.8
155.08531	1.7
156.09309	0.7
157.10123	5.5
158.10841	1.8
159.02904	2.5
159.07970	0.7
159.10617	0.9
159.11708	8.7
160.12422	0.8
161.09656	3.0
161.12003	0.8
161.13261	12.2
163.05998	5.0
163.14825	6.4
169.10120	1.6
171.11684	3.3
173.09564	0.6
173.13252	7.8
175.11243	1.2
175.14825	34.4
177.12698	0.9
177.16359	3.4
179.14345	1.5
180.43274	0.7
183.11716	1.8
184.07379	4.4
185.13205	3.8
187.14809	9.7
189.12703	1.4
189.16380	22.2
191.14311	8.8
191.17949	8.6
193.15895	1.1
195.11618	1.1
197.13182	1.1
199.14801	4.2
201.12764	5.8
201.16396	7.2
203.14317	66.1
203.17937	20.9
204.14566	0.9
205.15878	12.0
205.19507	7.9
207.17416	1.5
211.14832	1.2
213.16385	2.9
215.14268	1.4
215.17996	3.4
217.15875	85.1
217.19446	6.0
218.16202	1.0
219.17453	0.9
221.19148	0.8
225.16444	0.9
227.17963	2.4
229.15820	1.5
229.19507	2.4
231.17563	0.7
239.17949	1.1
241.04810	0.7
241.19412	2.6
243.17548	1.0
243.21059	1.1
245.18887	1.3
251.17937	2.4
253.19495	1.5
255.17404	1.2
255.21161	1.5
257.18887	1.0
259.20551	1.0
267.21179	1.2
269.19006	0.7
271.20609	1.7
279.21011	0.8
311.23697	0.8
346.26791	0.8
347.78400	0.6
372.46805	0.6
379.33582	8.3
385.08545	0.6
388.82858	0.8
389.31998	11.3
407.33072	100.0
408.33704	3.0
425.34137	82.5
426.34299	2.7
597.89886	0.7
601.37299	13.9
665.31531	0.8
666.31512	0.9
706.81995	0.7
763.42719	19.9
764.42102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.77159	0.3
55.05516	1.9
57.03436	1.6
57.07064	0.8
61.02924	8.7
65.03906	0.6
67.01824	0.3
67.05160	0.5
67.05498	3.9
67.53938	0.3
68.38973	0.2
69.03430	4.1
69.06721	0.4
69.07067	4.1
69.76041	0.2
70.46247	0.5
70.46632	0.5
71.01355	2.3
71.04996	0.6
71.26026	0.2
73.02917	6.0
79.05497	2.6
81.03425	1.2
81.07049	6.4
81.89235	0.3
83.01333	0.4
83.08620	1.1
85.02902	14.4
91.03947	5.7
91.05482	3.1
93.07041	4.5
95.01311	2.0
95.04945	0.6
95.08604	10.9
97.02892	8.3
97.10151	0.5
99.00805	0.4
99.04453	1.2
100.72107	0.3
101.02372	1.9
103.03956	0.5
105.07034	7.9
107.04940	1.6
107.08593	6.7
109.02867	0.6
109.10157	6.4
113.02369	2.9
115.03944	1.1
115.05392	0.3
117.07017	0.4
119.08579	10.4
121.06490	1.8
121.10148	5.3
123.00826	0.4
123.08089	0.4
123.11709	3.1
127.03925	2.2
128.06204	0.3
129.07028	0.7
131.03436	1.0
131.08583	1.2
133.06487	8.7
133.07442	0.5
133.10130	5.6
135.08052	1.9
135.11681	2.9
137.09642	0.7
137.13239	1.8
141.01826	5.3
142.07726	0.4
143.08574	1.2
145.04982	1.0
145.06487	0.8
145.10132	2.0
147.08034	5.9
147.11696	4.1
149.09615	0.4
149.13269	2.3
157.10123	1.6
159.02927	1.2
159.08026	1.8
159.11702	1.9
160.08733	0.3
161.09630	4.9
161.13268	4.8
163.06078	0.8
163.14861	0.6
169.10141	0.6
171.08026	0.5
171.11722	1.0
173.09618	1.7
173.13263	1.3
174.10435	0.7
175.11172	11.5
175.14766	2.8
177.12743	2.1
177.16423	0.6
183.11685	0.7
184.07353	0.5
185.09628	1.1
185.13289	0.8
187.11176	1.6
187.14821	1.7
189.12740	6.7
189.16368	4.0
191.14320	0.6
191.18062	0.4
195.11752	0.5
197.13306	0.6
199.11156	0.6
201.12793	1.5
201.16386	2.1
203.14310	30.1
204.14708	0.3
205.15915	1.1
205.19551	0.3
209.13104	0.4
211.14867	0.6
213.12801	0.6
213.16429	1.2
214.13535	0.3
214.99556	0.3
215.14290	1.4
215.17877	2.0
217.15868	16.9
217.19547	1.3
223.14824	0.3
224.18285	0.3
225.16437	1.0
227.14413	0.8
227.17856	1.6
229.15872	2.7
229.19400	0.5
231.17488	0.9
237.16638	0.3
239.09671	0.3
239.18007	0.5
241.15907	1.5
241.19574	0.4
243.17442	8.3
253.15857	0.6
253.19644	0.3
255.17450	6.3
257.18948	2.2
269.19104	1.7
271.20535	2.0
283.20633	0.5
297.22217	0.6
382.28751	0.8
407.33063	12.7
425.34149	12.7
426.34680	0.3
433.30856	0.3
535.10938	0.3
601.36749	1.5
652.85187	0.3
763.42566	100.0
764.43140	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01884	0.6
55.05516	1.6
57.03437	2.4
57.07076	0.3
61.02931	5.5
67.05513	6.6
69.03432	4.0
69.07084	1.2
71.01376	0.4
71.04996	3.4
71.39349	0.4
73.02928	4.5
76.82313	0.3
79.05499	3.4
81.03422	1.7
81.07063	7.9
83.04993	0.6
83.08638	1.3
85.02913	5.3
85.06560	0.5
87.04493	0.4
91.03963	3.5
91.05492	4.1
93.07045	4.4
93.71183	0.4
93.94539	0.3
95.04993	0.5
95.08618	3.6
97.02904	5.9
97.06528	0.9
97.10181	0.6
99.04494	1.4
101.02372	2.1
103.03999	0.5
105.07038	1.7
107.08591	2.9
109.02896	1.2
109.10165	1.7
115.03999	0.5
119.08611	0.9
121.10160	1.6
123.11726	1.5
127.03943	2.1
131.08601	1.1
133.10130	2.2
135.11740	1.2
139.70261	0.3
145.05042	0.4
145.10225	0.4
147.11803	0.6
149.13283	1.0
151.11163	0.7
159.11711	0.7
163.11241	0.4
185.04326	0.6
187.13376	0.8
203.05305	0.4
225.16641	0.3
242.91478	0.3
243.08400	2.5
257.17542	0.8
267.15771	1.9
273.91980	0.3
301.16498	0.6
335.25952	0.5
339.28836	0.7
340.29242	0.5
453.21118	0.7
485.23636	8.9
486.23969	0.4
519.29358	4.5
548.40558	0.9
558.64099	0.4
562.04138	0.4
594.78705	0.4
601.42102	0.4
763.46082	100.0
764.46497	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	765.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
57.03421	2.3
57.07071	1.4
60.08155	2.8
61.02932	1.5
66.61409	0.9
67.05508	5.6
69.03432	1.8
69.07064	3.6
71.08627	1.3
73.02893	1.2
79.05484	2.9
81.03423	5.5
81.07065	5.0
82.11807	0.8
83.08621	2.7
85.10165	0.8
86.09711	8.4
87.10024	1.4
87.78290	0.8
91.05493	3.8
93.07072	2.2
94.15293	0.9
95.04965	1.5
95.08608	3.9
97.02890	1.0
97.10204	1.2
98.21629	2.0
105.06999	1.0
108.48952	0.9
109.10138	2.1
113.81319	0.9
116.21172	0.8
119.08603	1.8
121.10153	1.3
124.99986	4.3
125.09679	1.0
133.10121	1.2
175.11195	1.0
184.07352	29.9
185.07713	2.1
186.51898	0.8
193.12209	1.0
195.00351	1.1
209.11774	0.9
229.27310	1.1
267.15985	4.1
267.65558	0.9
268.16318	2.1
283.15433	1.0
298.98386	0.9
301.08841	1.1
313.27451	2.1
314.98853	1.0
339.28922	3.4
340.29324	2.4
371.61166	0.9
394.02374	0.8
405.55112	0.9
469.20752	1.0
505.38950	4.1
510.88385	0.9
521.30878	2.6
531.39966	1.3
532.40961	3.1
649.44153	2.4
667.44672	1.4
715.47510	2.9
719.43262	1.4
747.42041	2.3
765.42139	100.0
766.42340	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	765.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
57.03436	1.9
61.02929	6.3
65.03954	0.4
67.05508	5.3
69.03429	2.8
69.07086	1.5
71.01324	0.5
71.04996	0.6
71.53477	0.4
73.02925	4.5
73.62263	0.4
79.05504	3.5
81.03423	3.1
81.07063	5.2
83.04978	1.2
83.08624	0.9
86.09715	0.7
91.03955	4.0
91.05482	2.4
93.07049	5.0
95.04987	1.0
95.08608	3.6
97.02896	5.5
97.06548	0.6
99.04465	0.9
101.02398	2.3
105.07059	2.0
107.08612	2.1
109.02901	0.8
109.10202	1.2
117.07056	0.5
119.08613	1.4
121.10162	2.7
123.11778	0.6
123.51108	0.4
127.03952	1.8
131.08601	1.4
133.10144	0.9
135.11678	0.9
139.11211	1.1
140.73586	0.4
145.10146	0.7
147.11671	0.9
149.09589	0.9
155.96881	0.4
163.14856	0.5
184.07367	2.5
184.08826	0.4
185.04240	0.7
193.12396	0.7
203.05403	0.6
217.51057	0.4
243.08421	2.7
251.12621	1.1
269.13623	2.0
335.25952	1.0
344.69189	0.4
443.18909	3.8
469.01151	0.4
469.20248	2.2
487.21628	3.1
519.29321	8.5
679.35486	1.5
721.41492	1.3
747.42792	2.7
765.43988	100.0
766.44287	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	767.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
67.01871	0.2
69.03429	5.2
69.57516	1.0
69.57929	0.5
71.01353	2.4
71.04982	0.6
73.02914	0.6
77.01530	0.2
81.02976	0.4
81.03425	5.0
85.02907	5.5
91.05497	0.4
97.02893	1.7
98.20777	0.4
98.97587	0.3
99.04465	1.4
101.02401	1.7
103.05472	0.5
109.02885	8.4
117.29870	0.2
119.04971	0.3
123.04491	0.3
127.03909	1.2
137.06035	0.2
145.02872	0.4
145.04951	0.4
147.04419	0.9
153.01836	0.5
157.02887	0.7
163.03877	0.5
173.02374	1.3
174.37289	0.3
175.03925	1.1
185.02357	1.0
187.03911	2.3
191.03436	1.1
201.01834	3.6
202.77783	0.2
203.03343	1.9
213.01819	2.4
215.03389	2.0
217.01382	0.5
219.02914	1.0
229.01343	4.0
230.01862	0.3
231.02892	11.2
239.83525	0.2
241.01332	2.6
247.02380	4.5
250.07556	0.3
257.00821	10.3
257.03574	0.5
259.02383	18.9
260.02768	0.3
269.60202	0.3
275.01874	9.8
276.02594	1.6
277.03442	60.5
278.03708	0.9
284.97137	0.5
285.00314	8.7
289.03351	0.6
303.01352	100.0
304.01746	1.7
320.03903	0.3
321.02328	1.7
442.15735	0.2
453.00775	0.4
465.06534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	0.3
69.31505	1.0
72.94935	0.1
81.03387	0.2
85.02894	0.5
89.81853	0.1
97.02861	0.3
98.20705	0.3
98.97585	0.3
123.04394	0.2
127.03845	0.2
137.06021	0.3
153.01849	0.4
161.06026	0.3
185.04228	2.4
193.08577	0.2
217.04735	0.8
231.06215	0.3
232.07071	9.4
233.07867	4.5
277.03360	0.4
303.01187	0.4
333.09680	0.2
364.11304	1.1
365.11740	0.3
395.13138	100.0
396.13507	2.2
453.00757	0.3
767.28253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05312	1.1
55.05512	14.0
56.09041	1.1
57.03433	4.3
65.03937	1.5
67.05176	2.0
67.05507	24.4
69.03418	3.5
69.07066	14.2
71.04987	1.4
71.54083	2.2
78.93063	1.1
79.05491	32.4
81.03426	5.6
81.07058	20.5
83.04973	4.3
83.08607	6.0
85.02888	1.6
86.66442	1.3
90.82764	1.2
91.05473	24.6
93.07049	24.7
95.04971	8.6
95.08617	12.3
97.02882	5.5
97.06515	2.7
97.10169	7.5
105.07034	17.5
107.04943	4.1
107.08614	10.2
109.06507	2.3
109.10144	6.3
111.08099	1.7
115.05447	1.5
117.06982	6.4
119.08582	13.4
121.06478	2.6
121.10144	4.3
123.08055	3.6
125.09644	3.6
129.07010	6.0
131.08556	4.9
133.06474	2.5
133.10115	4.2
143.08551	2.7
145.10144	6.2
147.08031	5.5
147.11690	12.7
149.09601	2.1
157.10086	1.5
159.11624	1.8
161.09656	2.8
161.13237	4.5
163.11256	1.6
165.09100	3.1
171.11671	6.9
172.88637	1.2
175.11163	1.5
177.03296	2.6
189.11186	1.5
189.12724	3.5
207.13850	9.0
223.13278	9.3
225.15056	1.4
227.12811	2.6
249.14777	1.6
267.15988	1.6
273.18472	9.3
281.17477	38.7
291.19531	54.9
306.07648	2.0
324.08383	1.4
339.41901	1.3
347.22101	3.2
365.23239	25.9
385.53143	1.3
386.28064	1.2
434.17340	1.2
473.28769	3.9
504.40347	1.3
553.35199	4.5
571.36279	100.0
572.36041	3.5
768.42053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	13.1
57.03436	12.0
67.05524	26.9
68.60784	11.0
68.80025	11.0
71.53812	20.8
71.82514	11.1
79.05503	22.9
81.03453	20.0
81.07066	40.0
91.05525	13.5
93.07049	35.3
95.08628	19.1
107.08603	23.7
109.10153	18.8
119.08580	16.6
121.10181	15.4
133.10130	12.8
145.10188	12.0
163.11165	13.7
283.15448	100.0
335.25894	100.0
534.30200	11.8
543.36414	63.5
562.30426	15.4
717.78125	13.2
768.46588	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	769.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.03436	3.6
59.04996	0.4
61.02643	0.2
61.02932	2.6
65.03935	0.3
67.05495	0.5
68.99776	0.4
69.03429	13.2
69.98518	0.4
69.98915	0.5
71.01359	1.0
71.04991	2.4
73.02918	7.5
81.03410	0.3
83.04984	6.0
85.02428	0.4
85.02907	4.6
87.04472	2.2
91.03941	0.3
95.04967	1.6
96.34310	0.2
97.02897	3.9
99.04440	0.4
103.03952	0.7
107.04943	0.3
109.02863	0.4
111.00842	0.3
111.04436	4.9
113.02349	0.6
113.06039	1.2
115.03932	2.8
121.02869	3.1
123.04418	0.3
127.03885	0.4
129.05484	9.1
133.02815	0.2
133.04955	0.8
137.02301	0.4
137.05957	0.6
139.03911	0.3
145.04933	0.3
147.04391	0.6
149.04457	0.5
153.01823	2.9
165.01854	1.3
165.05521	0.2
171.04465	0.2
171.06442	0.3
173.08083	1.0
179.07166	0.2
183.02899	0.8
185.05968	0.3
189.07588	7.3
213.05435	1.0
225.07700	0.3
231.06483	0.6
241.04936	0.8
258.05222	0.8
259.06070	0.4
287.05499	100.0
288.05750	1.6
299.05624	0.3
321.11755	0.9
340.33054	0.3
419.09521	0.3
431.09863	0.3
449.10965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.1
55.05518	17.4
57.03443	8.9
57.07062	2.0
59.04991	1.3
61.02920	2.6
61.56244	1.1
65.03935	2.4
67.05509	54.9
69.03421	3.8
69.07078	13.8
70.27421	4.3
71.01347	1.0
71.05000	7.3
73.02921	1.5
79.05498	36.8
81.03429	12.9
81.07061	51.4
82.51689	1.0
83.01338	5.6
83.04985	14.0
83.08631	11.0
85.02905	4.0
85.06536	4.8
89.23198	1.1
91.05485	48.4
93.07050	43.9
93.07639	2.5
95.04970	10.2
95.08058	1.6
95.08617	18.6
97.02895	3.2
97.06535	8.1
97.10216	2.5
99.04456	4.0
103.05485	1.5
105.07042	41.3
107.04969	11.3
107.08604	39.0
109.06525	11.8
109.10162	39.7
111.04449	2.3
111.08061	2.8
113.05939	2.1
115.05420	1.4
117.07013	10.8
119.08585	15.6
121.06509	8.2
121.10165	10.0
123.08064	6.9
123.11721	6.6
125.05983	1.3
125.09613	1.6
127.07581	3.0
128.06219	1.7
129.07016	4.8
130.07736	1.6
131.08568	12.6
133.06512	4.7
133.10136	51.7
135.08070	5.7
135.11700	9.5
137.09644	2.0
139.07607	1.6
143.08549	4.6
145.06555	1.4
145.10146	11.7
147.08072	3.2
147.11658	6.5
149.09593	6.0
151.11200	22.4
153.09174	1.3
153.12776	1.6
157.10175	2.3
159.11731	1.7
161.09665	5.1
161.13235	1.2
163.11191	17.4
165.09019	1.9
169.12221	3.3
171.11705	4.2
173.09689	2.0
173.13261	1.0
175.11243	2.6
177.09117	1.3
179.10640	1.3
181.12325	2.4
185.13289	2.1
189.12723	1.9
191.10599	2.1
195.13741	1.2
207.13770	2.7
209.11728	4.2
215.12788	3.6
245.18977	3.6
246.11577	1.0
251.12947	1.4
253.14374	100.0
263.20175	3.6
267.73508	1.0
269.17505	2.6
273.15787	1.8
273.18494	17.5
275.19876	1.6
281.17560	4.4
283.15421	55.9
291.19562	20.7
309.20624	2.2
347.22092	7.1
349.23920	1.5
365.23251	24.0
461.29132	1.9
475.30585	13.5
477.24969	3.1
479.26486	42.2
506.73770	1.2
534.29303	1.9
545.33966	1.7
549.99280	1.2
555.32349	7.0
573.34235	59.0
574.34119	2.2
657.49756	1.2
663.77252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.1
55.05513	19.7
55.05764	0.7
56.62916	0.6
57.03444	7.3
57.07056	1.2
59.04962	2.4
61.02894	2.2
65.03922	1.4
67.05507	23.7
69.03440	7.0
69.07072	20.5
69.07441	0.8
71.01343	1.3
71.05003	3.4
71.08594	0.8
73.02909	1.3
79.05495	25.8
81.03422	9.4
81.07056	23.2
83.01338	4.6
83.04976	9.2
83.08620	11.9
85.02904	4.7
85.06518	1.7
87.03763	0.6
87.04433	0.7
88.12155	0.6
90.92124	0.6
91.05479	19.1
93.07047	26.9
95.01302	0.8
95.04975	11.0
95.08047	0.9
95.08604	11.2
97.02889	10.2
97.06535	5.8
97.10170	10.8
99.04391	1.9
103.05456	0.8
105.06407	1.0
105.07032	14.4
107.04970	9.9
107.08595	17.5
109.02851	0.9
109.06519	5.3
109.10155	8.3
111.04405	2.3
111.08035	2.8
115.05410	1.2
117.07027	8.4
119.04888	1.2
119.08584	14.4
121.06495	3.9
121.10144	7.7
123.04424	1.2
123.08088	6.5
123.11700	1.4
125.05994	1.1
125.09629	8.2
125.95208	0.7
127.03873	0.8
128.06166	1.2
129.05545	0.8
129.07018	3.5
130.07747	1.7
131.08580	8.5
133.06450	2.2
133.10147	4.9
134.07211	0.8
135.08060	4.1
135.11699	7.9
137.09573	2.5
143.08562	3.0
145.06435	1.1
145.09071	1.1
145.10124	15.2
147.08051	6.2
147.11639	3.3
149.09602	1.8
149.13232	1.5
149.71120	0.7
151.11189	1.1
151.18329	0.6
153.12738	1.6
155.08485	0.9
157.10112	2.9
159.07941	0.8
159.11659	1.9
161.09567	2.7
163.11172	14.5
165.09064	0.8
169.10219	0.9
169.12151	0.9
171.11684	1.5
173.09558	1.6
173.11729	0.8
173.13199	0.8
175.11171	1.3
177.12701	1.7
179.10651	0.7
181.12201	2.0
185.13159	0.8
187.11113	0.8
189.11154	2.2
189.12668	0.9
191.10674	1.3
193.12209	1.1
195.13739	1.2
205.12196	1.6
209.11748	3.4
211.13235	1.2
221.11751	0.9
223.13278	14.3
227.12766	6.0
227.17915	0.6
229.14328	0.7
245.18982	0.8
249.14850	2.3
253.14262	2.3
267.15942	1.6
273.18506	11.5
275.20010	1.0
283.15396	65.3
291.19543	91.9
292.19803	1.0
309.20694	1.4
329.21393	0.8
347.22119	2.4
351.61877	0.7
365.23233	46.7
453.24841	1.3
475.26950	1.8
493.27985	3.7
505.28461	0.9
511.44189	0.7
530.06982	0.9
541.35278	1.5
555.32904	3.1
573.34235	100.0
574.34570	3.9
591.35455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.9
55.05514	23.4
57.03434	11.5
57.07088	3.2
61.02928	6.1
65.03936	4.9
66.18241	2.5
67.05508	85.9
69.03410	5.5
69.07075	30.0
71.04996	6.2
79.05499	100.0
81.03419	16.6
81.07063	80.9
83.04986	20.4
83.08626	13.5
85.02901	7.6
85.06543	5.2
91.05488	84.8
92.05817	2.7
93.07048	93.1
95.04976	23.7
95.08609	45.4
97.02900	6.5
97.06529	12.2
103.05511	3.6
105.04543	5.1
105.07043	73.2
107.04964	11.9
107.08593	38.2
109.06525	10.9
109.10168	15.8
111.08079	3.5
115.05450	3.7
117.07033	20.0
119.07803	4.5
119.08581	48.7
121.06489	7.0
121.10159	16.3
123.08080	6.8
123.11714	3.2
125.09632	3.9
126.60342	3.4
127.07560	3.2
128.06158	5.4
129.07022	25.6
131.08575	17.4
133.10155	34.0
134.10458	4.2
135.08064	5.2
135.11714	10.3
137.09682	3.1
137.13228	4.6
143.08583	14.3
145.10150	21.5
147.07982	6.1
147.11682	43.8
148.12138	3.1
149.09639	6.1
149.13263	9.9
151.11116	4.3
155.08470	3.4
157.10149	6.9
159.11676	13.9
161.09602	6.3
161.13232	19.2
163.11230	4.5
171.11679	29.2
173.13287	9.2
175.14847	6.6
177.12636	3.4
189.12814	9.5
195.13879	3.7
207.13753	24.3
227.12921	3.9
241.19525	9.5
253.14389	5.3
257.18994	6.7
259.20602	19.4
259.39386	2.9
269.17447	8.8
273.18677	3.4
275.20175	13.9
279.16034	4.5
281.17511	56.3
282.18051	3.3
293.21042	10.9
333.24146	15.2
335.25894	4.3
336.84189	3.1
349.23712	10.8
382.19858	3.2
391.19989	3.1
422.57230	2.9
447.32391	5.3
465.33160	3.7
475.30585	40.6
539.37408	25.5
555.36194	9.0
557.38422	9.3
573.36938	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	770.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.1
55.05265	1.8
55.05516	20.7
57.03450	10.2
58.88820	1.4
61.02924	1.7
65.03944	4.9
67.05511	67.0
67.05883	3.3
69.03455	7.0
69.07076	25.1
69.46983	8.0
69.47385	2.6
71.04993	5.1
71.08614	1.5
79.05501	83.5
81.03428	13.9
81.06583	3.5
81.07063	67.3
83.04977	19.0
83.08623	13.0
85.02908	3.0
85.06553	5.0
91.05489	57.2
93.07053	74.1
95.04981	20.3
95.08616	37.5
96.74223	1.4
97.02906	4.0
97.06539	17.1
97.10188	5.6
99.04494	2.4
99.08119	2.2
105.04515	2.3
105.07037	47.5
107.04957	11.0
107.08595	33.4
109.02883	2.8
109.06522	9.0
109.10147	11.3
111.04449	3.1
111.08080	4.6
115.05469	3.6
117.07032	18.4
119.08591	32.3
121.06536	4.1
121.10159	12.6
123.08056	8.6
123.11758	2.4
125.09634	1.9
127.03913	3.9
127.07618	1.9
128.06247	2.2
129.07011	16.7
131.08604	18.2
133.06442	1.4
133.10139	21.0
135.08066	3.9
135.11699	11.5
137.09691	2.7
143.08578	8.8
145.10139	18.5
147.08054	4.3
147.11700	33.4
148.83359	1.4
149.09630	12.5
149.13268	5.8
151.11224	2.9
157.10184	2.8
159.11682	10.4
160.11797	1.6
161.09627	5.6
161.13286	10.3
163.11188	8.6
169.10136	2.4
171.11708	27.1
173.04521	3.5
173.09744	1.5
173.13269	3.4
175.11217	2.4
177.12773	3.5
179.14355	1.8
189.11227	1.6
189.12785	6.4
195.13715	2.8
207.13795	25.9
227.12834	6.5
239.17990	2.4
247.20488	2.2
253.14403	5.6
255.16051	5.1
257.19022	8.9
269.17487	12.4
272.17160	2.0
273.18472	1.9
275.20090	27.9
275.22815	3.1
281.17493	67.7
283.15448	2.9
293.20993	2.8
297.16843	1.7
331.22638	2.6
346.38098	1.6
349.23752	18.1
367.25043	1.7
434.48071	1.5
435.27295	2.9
451.26837	2.2
459.31143	2.9
461.29028	28.6
475.30585	100.0
476.31146	2.6
537.35748	2.3
555.36920	47.2
556.37091	1.8
573.37561	7.5
619.34387	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	770.497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19114	1.3
55.05518	12.1
57.03436	10.0
57.07068	5.3
62.06087	3.9
67.05510	37.7
68.05798	1.3
69.07077	12.0
69.56942	1.2
71.04990	4.0
71.08633	11.7
71.24535	1.9
75.65232	1.2
79.05496	22.3
81.03422	1.4
81.07064	44.6
83.04984	1.9
83.08609	6.7
85.05299	4.2
85.06530	1.9
85.10182	3.4
86.06067	2.0
86.09694	2.0
89.53389	1.2
91.05476	15.9
93.07050	26.0
95.04952	2.1
95.08620	31.0
97.06501	2.2
97.10173	4.4
98.06062	23.5
98.98470	11.2
99.08096	8.8
105.07043	12.7
107.08604	16.6
109.10174	12.6
112.07594	2.3
113.09646	3.6
117.07030	4.7
119.08614	10.0
121.10151	9.9
123.08131	1.5
123.11691	4.1
123.44343	1.6
124.11152	1.6
125.00024	1.7
125.09641	1.4
126.09171	1.5
131.08569	5.4
133.10144	7.2
135.11674	6.1
137.13248	2.0
140.10750	1.5
145.10152	5.4
147.11656	7.0
149.13281	4.0
151.11183	1.3
152.10721	1.8
154.12328	1.5
159.11736	3.5
160.14888	1.3
161.13309	3.0
163.14833	2.5
166.12285	1.6
167.45755	1.4
173.13277	3.6
184.07413	7.2
187.14902	1.6
201.16446	1.5
208.16959	1.9
222.18497	3.0
238.18050	2.7
241.19412	1.9
243.21019	1.5
248.20131	1.4
250.21683	1.4
262.21710	5.1
264.23291	3.0
277.21661	6.6
279.12729	1.3
279.23148	6.2
302.24808	31.8
302.32007	1.2
304.26328	14.8
306.27930	24.2
320.25867	100.0
322.27441	60.1
333.24219	4.9
335.25812	14.5
336.25592	2.3
337.27338	3.0
338.27039	9.3
340.28433	3.5
351.25320	10.5
353.26846	27.4
354.27081	2.1
400.22382	6.9
402.24203	1.8
418.23572	6.4
420.24960	2.5
434.23215	1.4
545.37878	3.5
629.47455	2.2
672.51984	22.8
752.48340	3.7
770.36481	1.6
770.49426	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	770.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.5
57.03442	5.8
60.25042	2.6
67.05505	31.7
73.52405	2.9
79.05503	22.9
81.03408	22.3
81.07060	31.6
83.04994	6.1
83.08618	11.3
85.02903	9.3
91.05486	17.1
91.41948	3.3
93.07043	29.3
95.04971	9.1
95.08608	21.9
105.07047	16.0
107.04995	3.2
107.08591	12.4
109.06550	4.9
109.10141	6.9
110.18366	3.1
111.08085	3.6
117.07047	4.3
119.08597	11.3
121.10165	12.8
123.11717	4.6
129.05414	3.1
129.07056	4.0
131.08545	7.4
133.10107	9.5
135.11726	6.5
145.10126	6.3
147.11691	10.2
157.10107	7.1
159.11646	6.1
175.11191	8.0
186.08000	3.4
193.12242	30.3
211.13297	52.0
230.16353	3.3
243.21126	4.7
261.22195	14.9
267.15927	16.1
285.16953	75.4
299.69223	3.5
335.25815	93.1
339.81604	3.5
487.62335	4.3
527.37152	24.1
545.38367	100.0
596.61975	3.5
770.49890	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	770.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.6
57.03434	9.6
61.61550	3.0
67.05510	22.8
69.07069	6.8
69.51517	17.8
69.51923	9.0
76.35505	3.4
79.05503	19.2
81.03421	25.3
81.07061	28.3
83.05007	7.0
83.08630	9.8
85.02908	7.8
91.05484	18.6
93.07033	21.3
95.04979	9.6
95.08615	19.2
97.06541	6.1
105.07024	11.5
107.04969	5.7
107.08586	8.0
109.10174	7.8
111.08093	7.6
119.08595	11.7
121.10142	8.5
129.06995	8.4
131.08569	6.8
133.10129	7.5
147.11722	7.5
157.10197	7.8
159.11705	4.0
175.11189	9.7
177.16457	3.4
193.12276	26.4
211.13309	80.5
261.22131	10.1
267.15970	16.7
285.16968	94.3
335.25815	100.0
393.02838	3.8
402.27274	3.4
527.37451	16.9
545.38367	77.9
770.50317	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53687	0.5
55.01868	1.6
55.05518	9.3
57.03438	3.6
57.07068	1.6
59.05008	0.6
61.02645	0.9
61.02932	12.6
65.03934	1.0
67.05508	20.7
69.03437	7.0
69.07070	8.2
69.17667	0.7
69.18060	5.1
71.01350	1.4
71.04994	1.7
71.08629	0.7
73.02919	7.2
77.03934	0.6
79.05498	12.5
81.03423	3.3
81.07065	20.0
83.04972	2.0
83.08632	4.4
85.02427	0.9
85.02912	11.4
85.06510	1.3
86.89917	0.6
87.04495	0.6
91.03953	6.2
91.05493	11.6
93.07046	13.3
95.04974	1.6
95.08617	15.3
97.02892	10.3
97.06522	1.9
97.10183	3.1
98.20765	0.9
99.04436	1.0
99.08107	0.6
101.02372	1.7
103.05417	1.0
105.04495	0.8
105.07033	12.3
107.04918	0.6
107.08611	8.0
109.02837	1.3
109.06498	1.4
109.10175	6.4
111.08089	0.6
111.11686	0.6
115.03935	0.8
115.05482	0.7
115.42526	0.5
117.07025	6.8
119.07800	0.8
119.08601	10.6
121.10163	6.5
123.08097	1.0
123.11733	1.5
125.09651	1.8
127.03915	1.9
128.05347	0.6
128.06226	2.4
129.07002	8.9
130.07722	0.8
131.08586	9.2
133.10132	7.3
135.08089	0.8
135.11694	4.0
141.07004	4.0
142.07813	2.8
143.08569	10.2
144.09325	0.6
144.70488	0.5
145.05072	0.6
145.06522	0.6
145.10132	9.8
147.11671	5.0
149.13254	2.2
153.06992	0.8
154.07840	1.3
155.08577	8.0
156.09383	0.9
157.10136	10.8
158.10582	0.5
159.11716	7.7
161.13274	3.2
163.11086	0.6
163.14825	0.8
165.06955	1.3
166.07741	0.6
167.08603	4.5
168.09323	1.6
169.10149	9.6
170.10814	0.8
171.11705	7.3
173.13303	5.2
175.11169	0.8
175.14848	1.6
178.07858	0.6
179.08556	2.0
180.09378	0.8
181.10155	6.6
181.11725	1.0
182.10892	1.0
183.11691	9.1
184.07353	1.1
184.12450	0.7
185.09685	0.6
185.13242	5.4
187.14888	3.2
189.16327	0.9
193.10146	2.0
194.10942	0.8
195.11694	5.7
196.12465	0.7
197.13245	6.9
199.13292	0.8
199.14856	4.3
201.16362	1.3
203.18103	0.7
205.10173	1.5
207.11676	1.8
208.12601	0.6
209.13283	5.8
210.14058	1.1
211.14900	4.8
213.16397	3.0
215.17946	0.7
219.11815	1.3
220.15190	0.6
221.13300	1.9
222.14127	0.7
223.14761	4.1
225.16460	3.4
227.18048	2.8
229.19347	0.7
231.17268	0.6
233.13280	1.3
235.14868	1.9
237.16385	2.4
239.17935	2.1
241.19693	1.0
247.14629	1.1
249.16399	1.1
251.17998	1.7
253.19638	1.1
263.17905	0.7
267.21188	0.6
269.18771	0.8
275.64063	0.5
293.22388	0.6
297.21982	1.2
307.20486	0.6
311.20084	0.6
311.23734	1.1
321.21869	0.9
323.23593	0.9
335.26086	1.0
337.25293	1.2
351.23102	0.8
353.24762	0.7
365.28687	0.8
367.25949	0.8
375.26425	0.8
379.26028	0.7
379.30426	0.7
447.32297	1.1
467.34125	0.7
499.39621	0.6
501.35187	0.9
517.40686	4.3
521.36810	0.6
525.35638	0.9
527.37317	0.9
535.41437	2.5
539.37024	2.1
541.38953	1.1
545.38055	1.5
553.39557	0.7
555.41309	0.7
573.43060	0.8
574.38678	0.9
591.43878	7.1
607.43097	1.5
609.45172	100.0
610.45526	3.6
633.45123	0.8
651.46381	1.0
699.46252	0.6
717.47186	1.0
735.47784	1.3
753.48395	1.8
771.50995	19.2
772.50177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.4
55.05269	1.6
55.05515	21.6
56.19156	1.5
57.03441	14.8
61.02914	2.6
65.03941	4.5
67.05509	63.8
69.03443	12.0
69.06719	2.6
69.07070	23.3
71.05002	6.6
71.22265	3.0
73.27163	1.3
79.05497	51.7
81.02927	2.0
81.03419	54.7
81.07062	75.0
83.04981	22.6
83.08628	25.1
85.02430	2.2
85.02905	20.4
85.06554	7.0
85.89400	1.3
89.88028	1.3
91.03967	2.0
91.05485	77.2
93.07048	44.1
95.04977	29.7
95.08611	26.4
97.02872	6.5
97.06525	8.5
97.10173	5.8
99.04436	2.4
99.08112	2.5
103.05434	2.4
103.33687	1.4
105.04507	1.9
105.07038	63.3
107.04964	13.4
107.08600	43.2
109.06514	11.4
109.10165	49.0
111.04429	1.9
111.08082	9.2
113.06003	5.5
115.05487	3.3
117.07036	10.6
119.08591	28.2
121.06507	8.7
121.10146	13.1
123.04405	1.7
123.08078	5.3
123.11717	10.0
125.09624	3.6
127.07567	3.9
128.06151	1.6
129.07005	14.0
131.08585	22.8
133.06511	6.7
133.10136	77.7
135.08080	8.6
135.11650	6.4
137.05936	1.7
137.09616	3.3
141.07016	1.7
142.07797	2.2
143.08571	5.7
145.10109	9.2
147.08055	5.9
147.11688	18.2
149.09622	13.5
149.13243	1.5
151.07471	1.3
151.11192	34.0
157.10149	19.2
159.08159	3.0
159.11726	3.5
161.09622	8.0
163.11232	4.2
165.12732	3.5
169.10146	1.5
169.12183	3.8
171.11662	3.9
173.09656	1.7
173.13295	2.6
175.11180	15.4
179.10689	2.5
179.14218	1.6
184.07346	1.9
185.13319	2.0
187.11139	1.8
191.10602	2.0
191.18100	1.4
193.12247	39.5
211.13306	69.1
215.12836	2.6
244.68665	1.3
245.19109	5.3
251.12823	2.2
253.14366	100.0
263.20087	4.3
267.15924	24.3
268.16449	1.7
271.15506	3.7
273.18506	24.7
275.19983	1.7
283.15366	3.5
285.16980	62.6
287.19974	1.8
291.16504	2.7
291.19562	29.1
309.20419	1.7
347.22269	9.4
349.23700	1.8
365.23224	35.4
418.30411	1.5
435.27289	2.4
445.25894	3.4
449.28885	1.7
463.26883	23.0
477.28696	2.6
481.27942	31.4
495.30170	1.8
539.33618	6.1
557.34692	23.7
575.35797	66.2
576.36304	3.4
650.53705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.2
55.05512	41.9
55.88694	0.9
57.03440	15.1
57.07083	1.3
59.05008	2.3
61.02915	4.3
65.03929	2.9
67.05507	57.4
69.03436	15.1
69.07073	37.7
71.01352	1.2
71.04984	6.5
71.08633	1.4
72.83891	0.9
73.02903	1.9
75.91569	0.8
76.17377	0.9
79.05496	52.4
81.03421	56.0
81.07061	61.0
82.53887	0.9
83.01357	4.7
83.04985	20.8
83.08149	2.1
83.08622	30.1
83.83612	0.9
85.02425	1.9
85.02907	25.5
85.06532	3.6
87.04462	1.3
91.03976	1.3
91.05483	53.3
93.07047	50.5
95.04971	27.1
95.08605	24.1
97.02895	14.3
97.06527	10.7
97.10169	18.6
99.04470	2.5
99.08109	2.4
103.05428	2.0
103.18279	0.9
105.04498	1.9
105.07032	42.0
107.04958	19.0
107.08599	34.5
109.06515	10.8
109.10149	11.5
111.04446	2.8
111.08076	9.5
113.05981	1.6
115.05465	3.3
117.07016	15.1
119.04934	2.1
119.08584	34.5
121.06506	9.5
121.10136	19.4
123.04421	1.1
123.08059	8.2
123.11790	2.0
125.09637	14.0
127.03853	2.0
128.06212	2.3
129.07019	13.2
130.07797	1.4
131.08571	20.3
133.06516	5.2
133.10135	20.4
134.07263	2.2
135.08047	5.9
135.11693	12.7
137.09602	3.9
141.06969	1.4
142.07767	3.5
143.08562	4.3
145.05019	1.3
145.10129	16.0
147.08055	9.8
147.11685	16.4
149.09616	11.0
149.13263	4.5
151.11240	2.0
153.09160	1.6
153.12772	1.7
155.08592	2.1
157.10146	12.3
159.08064	1.2
159.11703	7.0
161.09586	2.6
161.13249	2.5
163.11174	15.8
165.09192	2.2
165.12782	4.1
171.10179	1.5
171.11656	2.7
173.04436	1.4
173.09604	2.3
173.13272	3.3
175.11195	12.7
177.12695	1.6
181.12210	2.2
183.11597	1.1
185.13284	1.3
187.11160	1.5
189.11205	6.1
193.12247	28.7
195.13876	2.9
197.13222	1.4
205.12236	2.7
209.11725	2.8
211.13290	42.3
223.13280	18.3
227.12767	14.9
239.18039	1.6
245.14008	1.3
249.14859	3.8
255.15785	4.8
257.19003	4.2
267.15930	26.0
269.17456	9.0
273.18481	14.8
275.20132	12.5
277.40958	1.0
283.15405	37.8
285.16983	41.8
291.19540	100.0
292.19937	1.0
293.20877	1.5
313.21359	1.3
331.22714	1.2
347.22110	2.8
349.23828	11.7
365.23251	45.7
437.25082	3.7
445.25864	2.0
453.24911	1.5
459.27206	2.7
463.26901	9.2
477.28525	39.0
481.28723	1.1
495.29556	2.6
539.33447	2.9
557.34741	54.7
558.34875	1.4
575.35803	67.4
576.36157	1.7
624.43604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	14.1
55.05518	27.9
57.03191	1.2
57.03444	15.8
57.07056	2.8
59.04989	3.5
61.02928	5.9
65.03937	1.9
66.04722	1.1
67.05511	60.0
69.03441	8.0
69.07076	21.5
70.78201	2.7
71.01344	1.8
71.05004	6.8
73.02914	1.5
77.03935	1.5
79.05499	53.6
81.03426	31.8
81.07066	72.3
83.01358	7.1
83.04992	21.7
83.08627	21.6
85.02913	11.1
85.06528	4.3
86.09673	1.0
91.05489	50.4
93.07053	65.0
95.04978	18.9
95.08617	26.0
95.09151	0.7
97.02918	7.0
97.06544	14.2
97.10204	4.9
99.04449	3.3
99.08075	2.6
100.13416	0.9
103.05427	1.6
105.04490	1.2
105.07037	40.4
106.46115	0.9
107.04971	13.2
107.07871	1.8
107.08607	36.1
108.13465	1.0
109.02844	1.2
109.06538	11.9
109.10159	18.1
109.10844	1.9
111.04445	3.3
111.08099	9.2
115.05441	1.9
117.07021	15.9
119.04936	1.4
119.08600	26.4
121.06513	7.6
121.10163	19.9
123.08083	12.5
123.11746	5.3
125.06014	1.7
125.09609	4.5
127.03971	1.5
128.06245	1.1
129.05498	1.5
129.07027	8.2
130.07834	1.7
131.04881	1.1
131.08591	19.3
133.06473	2.8
133.10141	28.9
135.08078	6.8
135.11711	18.6
137.09613	4.1
139.11229	1.5
141.06979	1.4
142.07761	2.2
143.08556	2.9
145.04976	1.2
145.06519	2.3
145.10139	22.8
147.08058	4.9
147.11719	9.3
149.09651	8.0
149.13258	9.1
151.11166	8.6
153.12735	1.9
155.08556	3.2
157.10162	6.6
159.08006	1.6
159.11720	9.0
161.09605	1.7
161.13254	1.9
163.11194	24.0
165.12784	1.9
169.10132	1.8
169.12270	1.3
171.11768	1.7
173.04436	1.1
173.09615	4.2
173.13226	2.7
175.11191	5.0
177.12770	4.0
179.14326	1.2
181.12216	4.0
183.11700	1.8
184.07372	1.1
189.11255	1.8
190.33000	0.9
191.10748	1.9
193.12283	11.7
195.13805	4.4
197.13229	1.3
209.11720	4.8
211.13275	15.4
215.12695	1.2
227.12811	6.8
229.14238	1.5
229.19617	1.3
239.17972	1.7
245.19081	1.6
247.20715	1.0
253.14374	12.8
255.15810	7.3
257.19064	3.1
267.15997	7.8
269.17529	25.1
273.18555	8.1
275.20096	14.2
283.15421	64.0
285.16968	10.8
291.19620	8.7
293.21127	1.2
319.19464	1.0
326.04413	1.1
331.22464	1.2
347.22290	4.5
349.23801	14.3
365.23257	9.3
367.24686	3.5
413.21829	1.1
445.25577	2.1
459.27383	3.4
463.27005	22.1
477.28546	100.0
478.28802	3.0
481.28354	5.4
493.27792	1.3
539.33667	2.9
557.34863	26.6
575.35791	25.7
593.36151	1.4
621.32098	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	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05028	0.6
57.07079	0.2
58.06327	0.2
58.06617	0.5
60.08166	6.8
60.21098	0.2
61.91237	0.2
67.05493	0.3
71.07388	4.1
79.05471	0.2
81.07036	0.3
83.54286	0.2
86.09707	30.9
88.11226	0.2
89.05949	0.2
95.08580	0.2
97.08484	0.2
98.98466	3.7
104.10746	2.9
107.08556	0.2
109.10168	0.2
110.06076	0.2
125.00009	21.9
130.87837	0.2
184.07344	100.0
185.07736	0.4
191.75708	0.2
308.29630	0.2
496.34329	0.3
754.53931	0.4
772.54834	7.6
773.55542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.213
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.01876	0.8
55.05515	0.2
56.68750	0.1
57.03438	2.4
59.04987	0.3
60.47450	0.1
61.02929	2.6
68.99813	0.5
69.03430	5.9
69.17608	0.8
69.18029	0.5
71.01350	0.4
71.04996	3.4
73.02917	1.6
75.04497	0.4
81.03416	2.3
83.01340	0.3
83.04998	0.9
85.02908	25.7
87.04446	0.6
88.22771	0.1
91.03957	1.0
93.03413	0.2
97.02898	6.4
99.04455	1.1
103.03934	0.3
109.02882	1.8
111.00816	0.9
111.04453	1.2
115.03925	0.7
121.02888	0.9
123.04423	0.4
125.02358	0.2
127.03925	4.5
129.05484	1.9
133.04965	1.4
137.02336	2.3
145.04965	6.3
147.06502	1.0
149.02347	0.5
151.03909	0.2
153.01834	3.1
155.04901	0.2
161.06012	0.2
163.03893	0.4
163.06027	1.5
165.01823	1.7
166.02654	0.2
173.05954	0.2
179.05547	0.6
183.02904	0.5
187.03920	0.2
191.65601	0.1
195.02859	0.2
199.06120	0.3
201.05524	1.4
212.65941	0.1
219.06564	0.3
229.04965	3.7
237.07552	0.2
246.10771	0.1
247.06044	0.6
255.08609	0.5
257.04446	2.4
273.09683	0.4
274.04663	0.7
285.03964	1.2
303.04993	100.0
304.05338	1.8
318.03632	0.1
333.06143	0.4
345.06030	0.2
414.48642	0.1
449.10611	0.4
465.10260	0.9
483.20651	0.1
621.37415	0.2
725.45856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05524	1.3
57.03424	1.8
61.02925	4.4
65.34825	0.6
66.47672	0.6
67.05503	5.8
69.03432	3.5
69.07059	1.8
69.31451	0.5
71.04991	1.5
71.54071	0.6
73.02917	1.8
79.05490	5.1
81.03418	2.6
81.07067	5.8
83.04980	1.6
83.08627	1.2
85.02913	4.4
91.03954	1.8
91.05482	5.3
93.07038	5.6
95.04967	1.5
95.08603	4.5
97.02882	4.6
97.06509	0.6
97.19472	0.6
101.02377	0.7
103.38993	0.6
105.07035	4.1
107.04939	1.3
107.08609	1.7
109.02930	1.3
109.06510	1.4
109.10146	1.6
111.08076	0.7
117.07027	1.0
119.08622	3.0
121.06489	0.6
121.10106	1.4
127.03922	1.5
129.07130	0.8
131.08598	0.8
133.10133	2.7
135.11751	1.1
143.08563	1.4
145.10109	1.3
146.10463	0.5
147.11673	1.5
151.11218	0.7
161.09669	0.6
171.11769	1.6
175.11214	0.6
184.07414	0.9
184.65500	0.6
185.33118	0.6
185.34721	0.6
193.12289	1.6
203.05298	0.8
243.08397	3.2
247.13239	1.5
261.22366	0.6
261.50711	0.6
299.14810	0.9
302.14508	0.6
313.17706	0.9
331.18903	2.4
335.26013	2.0
387.21558	0.7
451.19666	1.3
465.20966	11.1
531.25659	1.2
537.23334	1.3
549.26910	2.6
578.44482	0.7
625.05786	0.6
675.33453	2.0
704.34241	0.8
755.39697	7.1
773.40790	100.0
774.41064	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	773.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98502	0.7
55.01894	0.9
55.05511	3.0
57.03434	1.3
61.02929	2.8
66.73213	0.7
67.05515	6.3
69.03438	2.1
69.07072	3.7
71.05010	0.8
73.02907	2.4
74.56068	0.7
79.05504	5.6
81.03426	2.5
81.07055	5.0
83.04980	1.3
83.08631	1.2
85.02899	5.0
91.03924	1.9
91.05492	4.8
93.07046	5.6
95.04983	1.5
95.08636	2.2
97.02899	3.8
97.06544	1.2
97.10156	1.4
98.20708	1.7
101.02365	1.2
105.07059	3.5
107.04903	0.9
107.08580	3.9
109.10190	2.1
114.39428	0.7
119.08583	3.1
121.10147	1.7
125.09640	1.2
127.03931	1.3
129.07013	1.3
131.08583	1.1
133.10159	1.5
143.08583	0.9
145.10121	1.2
147.11766	1.7
149.09663	0.9
171.11659	1.8
184.07358	1.6
185.92990	0.8
223.13374	1.2
243.08485	3.3
247.13383	0.9
263.86035	0.8
283.15555	1.3
291.19635	1.4
331.18719	1.1
355.06247	0.8
465.20856	5.6
549.26672	3.8
576.36218	1.6
773.40753	100.0
774.40826	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.8
55.05513	32.8
57.03448	21.8
57.07071	9.0
61.02919	11.1
65.03941	5.9
67.05511	98.4
69.03428	7.9
69.07078	30.3
69.39474	22.7
71.04993	6.8
73.02914	6.9
77.29960	3.3
79.05500	79.7
81.03426	6.0
81.06586	4.6
81.07064	87.7
83.04970	4.0
83.08642	14.0
85.02908	9.7
85.06544	4.3
86.09687	3.3
91.03947	5.3
91.05488	76.6
93.07055	88.3
95.04968	9.7
95.08615	74.8
95.09237	3.1
97.02872	6.5
97.06533	6.9
97.10174	11.9
99.08126	3.1
105.07044	74.8
107.07956	5.0
107.08601	47.8
109.06588	3.3
109.10171	29.1
111.08060	5.7
115.05519	4.4
117.07021	26.5
119.08595	63.7
121.06536	2.7
121.10138	40.9
123.08092	2.7
123.11704	12.1
129.06999	15.9
131.08578	46.3
133.10149	48.0
135.11714	29.3
137.09645	3.6
137.13255	3.5
141.06999	4.0
142.07808	3.2
143.08588	22.0
145.06375	2.8
145.10139	32.6
147.11711	41.3
149.09578	3.2
149.13301	15.1
155.08496	6.3
157.10118	19.7
159.11717	33.2
161.13278	28.5
162.35774	2.8
163.11182	2.7
163.14882	4.7
169.10091	7.8
171.11720	19.2
173.13289	16.1
175.14832	9.4
181.10118	4.8
183.11684	9.0
184.07281	13.3
185.13246	11.4
187.11198	3.4
187.14769	6.8
197.13222	4.7
199.14838	11.2
201.12622	2.9
201.16449	3.6
202.84647	2.8
207.13794	2.7
209.13281	4.4
213.16422	4.0
225.16544	4.2
231.21057	5.1
239.17867	4.2
241.19507	22.0
243.21173	4.8
257.18979	10.2
259.20581	56.6
261.22229	12.4
275.20172	3.0
301.21539	4.1
315.23239	4.9
331.22272	4.0
333.24216	43.7
335.25845	96.9
337.27478	8.2
339.26773	4.1
351.25128	3.5
367.22574	5.7
519.42316	5.0
543.40106	3.0
593.45569	11.3
609.45282	5.3
611.46838	100.0
612.47174	5.1
635.45953	2.9
701.47076	7.8
719.48572	5.6
737.49304	7.5
755.50830	3.9
773.51520	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
55.05276	1.9
55.05516	28.8
56.34130	1.9
57.03442	16.3
57.07069	4.8
59.82127	1.8
61.02929	11.5
65.03918	5.5
65.63251	1.9
67.05505	91.8
69.03423	8.3
69.07072	27.0
69.51952	14.2
71.04973	5.4
73.02901	5.5
77.03889	2.5
79.05496	74.7
81.03415	4.0
81.07058	88.5
82.55320	2.0
83.04956	4.5
83.08614	11.5
85.02923	13.0
85.06544	2.5
91.03970	3.2
91.05486	78.1
93.07046	81.0
93.11919	1.8
95.04951	8.2
95.08611	68.0
95.15403	1.9
97.02898	10.9
97.06519	6.5
97.10152	8.6
98.20738	2.2
99.08086	6.5
105.04610	2.0
105.07035	67.2
105.73370	2.4
107.04953	4.0
107.08601	49.4
109.06488	5.4
109.10162	26.8
111.08122	3.3
111.97390	1.8
115.05395	2.8
117.07019	27.4
119.08585	59.3
121.10141	37.4
123.11670	7.2
127.03908	3.7
128.06209	4.6
129.07002	19.8
131.08566	40.9
133.03406	2.0
133.09131	2.1
133.10143	42.6
135.08060	3.5
135.11697	25.3
137.09586	3.1
137.13214	3.2
139.11166	2.6
141.07047	4.8
142.07726	2.2
143.08583	18.0
145.10141	35.2
147.11702	33.4
149.09569	2.1
149.13292	14.6
155.08566	7.5
157.10114	19.7
159.11713	30.9
161.13263	26.8
162.01456	2.1
163.11237	2.0
163.14803	6.1
167.08536	2.1
169.10069	9.9
171.11652	20.2
173.09529	2.1
173.13263	18.2
173.56526	1.9
175.11292	2.2
175.14830	15.6
180.09195	2.0
181.10143	4.5
183.11696	9.8
184.07341	3.2
185.13254	15.4
187.11227	2.7
187.14824	8.9
195.11703	4.8
197.13280	7.5
199.14806	9.0
201.16376	5.1
201.30556	1.9
207.11801	2.8
209.13283	3.9
211.14850	5.2
213.16345	6.9
223.14897	1.9
231.21046	3.8
239.17952	4.3
241.19559	27.9
243.21083	3.9
255.13921	2.3
257.18985	9.9
259.20560	54.1
261.22223	10.3
271.20392	3.3
275.19922	2.2
277.21555	3.3
293.82980	1.9
301.21631	5.3
314.28873	2.3
315.23291	2.7
318.88602	2.3
320.85818	2.1
325.21490	3.6
333.24277	36.8
335.25818	78.9
337.27396	2.3
357.24228	2.4
367.22598	4.4
403.24780	2.9
459.27805	3.4
497.28793	2.0
519.41638	5.6
537.43451	2.5
593.45386	9.7
609.45032	4.5
611.46729	100.0
635.45929	2.3
689.47418	3.0
701.47308	5.2
701.99158	2.2
719.49164	4.7
734.41089	2.5
737.48010	2.7
743.13989	2.0
755.49841	3.8
773.53162	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	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.3
55.05510	36.9
57.03439	24.7
57.07073	3.6
57.15617	1.5
59.04990	2.1
61.02930	10.2
65.03928	6.1
67.05507	81.4
68.35484	1.5
69.03443	12.6
69.06731	2.1
69.07072	28.8
71.04996	8.0
71.08633	3.6
71.23450	4.0
73.02908	3.8
78.76192	1.6
79.05495	83.6
80.05832	2.5
81.03418	70.6
81.07059	85.7
82.07407	2.2
83.04539	2.5
83.04985	24.1
83.08619	26.7
85.02905	32.3
85.06534	6.8
87.04465	1.7
91.03931	2.9
91.05486	100.0
92.05811	3.2
93.07046	76.4
95.04974	34.9
95.08611	42.3
95.09147	1.0
97.02902	7.7
97.06531	12.1
97.10197	8.4
97.73697	1.5
99.08101	8.3
105.04501	2.4
105.07034	86.1
106.07297	2.2
107.04964	13.7
107.08595	41.5
108.52742	1.6
109.06527	9.1
109.10153	21.8
110.10480	2.0
111.04410	4.2
111.08088	15.0
113.06004	3.3
115.05431	4.1
117.07030	22.1
119.04883	1.9
119.08582	72.0
121.06485	4.6
121.10146	29.7
123.08051	6.8
123.11707	4.9
125.09601	5.2
125.10457	1.6
127.03890	5.5
127.07558	1.6
128.06227	2.2
129.05467	5.7
129.07011	25.1
131.08569	36.9
133.06494	3.4
133.10130	53.2
135.08084	4.5
135.11702	15.4
137.09564	6.5
139.11186	1.8
141.07030	2.2
142.07779	6.8
143.08578	11.2
144.61256	1.7
145.06566	2.7
145.10133	22.5
146.12831	1.7
147.08057	5.6
147.11690	40.3
149.09653	12.5
149.13271	10.8
151.11188	4.4
155.08531	5.4
157.10115	21.1
159.11711	16.0
161.09558	1.7
161.13245	16.0
163.11177	6.7
165.12733	5.7
169.10118	2.5
171.10211	2.0
171.11658	9.4
173.11790	2.5
173.13234	7.0
175.11189	13.8
175.14790	6.6
177.12746	3.8
179.14268	2.5
183.11707	3.6
184.07335	5.1
185.13261	7.5
187.14781	3.3
189.11197	2.5
189.12714	2.9
193.10452	2.8
193.12248	50.1
195.13768	3.8
197.13255	3.9
199.14839	4.3
211.13300	60.2
211.15285	3.7
212.13600	3.9
227.12579	3.5
229.14363	3.4
231.21281	1.7
239.18050	2.1
241.19518	12.8
253.14331	4.6
254.14621	2.1
257.18979	6.2
259.20572	36.5
264.59238	1.6
267.15900	18.6
269.17581	7.9
273.18494	3.1
275.20087	11.4
277.21686	2.7
283.15292	2.7
285.16980	48.5
286.17386	4.1
293.21094	14.0
301.16547	7.4
315.23242	4.3
333.24210	32.7
349.23865	9.8
366.23456	2.2
367.24753	3.9
407.52548	1.6
421.25797	1.6
433.30838	3.8
439.26666	3.7
451.31952	4.9
461.28864	6.7
469.33453	2.1
477.28317	2.4
479.30011	15.4
483.28308	2.2
525.35687	12.0
541.35004	3.9
543.36853	28.6
544.36884	2.6
559.36255	10.1
577.37067	11.0
775.39551	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04997	1.9
55.01867	13.8
55.05507	43.1
55.05939	1.8
57.03190	2.4
57.03436	30.1
57.07079	2.3
59.04974	2.8
61.02911	5.1
65.03930	4.7
65.26630	1.8
67.05500	90.0
69.03425	14.7
69.07065	42.0
70.50603	1.6
70.69967	2.6
70.70318	5.4
71.05006	8.9
72.80849	1.9
77.03888	2.2
79.05490	95.2
81.02925	2.4
81.03415	97.7
81.07054	99.1
83.04980	34.9
83.08617	43.5
85.02428	3.4
85.02899	37.8
85.06522	8.4
85.80620	1.8
91.03951	2.5
91.05478	87.7
93.07043	69.7
94.91190	1.8
95.04966	46.2
95.08604	46.9
97.02887	11.0
97.06517	21.7
97.10136	11.9
99.04436	3.0
99.08070	5.2
105.04513	3.0
105.07029	58.1
107.04948	19.5
107.08586	43.0
109.02855	3.3
109.06524	11.4
109.10148	16.2
111.04420	5.5
111.08096	14.3
113.06001	3.0
115.05486	1.9
117.07005	16.6
119.08578	47.6
121.06492	8.7
121.10145	21.9
123.08086	9.4
123.11660	7.4
125.09630	10.1
127.03914	3.1
129.07002	24.1
131.08566	37.6
133.06485	4.4
133.10132	42.1
135.08032	6.4
135.11671	15.3
135.61282	1.8
137.09595	8.5
141.06932	2.4
142.07751	6.3
143.08553	5.7
145.06564	2.0
145.10120	15.8
147.08026	8.1
147.11693	32.4
149.09625	26.4
149.13232	11.3
151.11191	4.5
155.08411	1.9
157.10117	26.0
159.11674	16.8
161.09612	2.3
161.13263	2.9
163.11166	10.2
165.12717	5.2
169.10092	3.8
171.11716	3.6
173.04434	4.6
173.13242	3.2
175.11185	22.2
177.12704	5.0
183.11705	3.4
185.13171	2.8
189.11197	4.5
193.12230	61.5
195.11694	2.0
195.13669	5.1
197.13242	3.6
205.12338	1.9
211.13280	86.1
211.90518	2.1
212.13606	2.3
227.12790	13.8
229.19485	4.0
239.17889	5.1
247.20506	3.5
249.14824	3.2
255.15874	10.3
257.19089	9.9
267.15930	38.5
269.17480	26.9
275.20081	43.6
285.16965	100.0
293.21097	2.5
331.22672	2.8
349.23724	36.7
371.80908	1.9
401.72876	2.0
413.21951	4.2
439.26614	3.5
447.27292	12.1
455.26245	3.5
461.28925	32.0
463.30426	2.3
465.28592	17.5
479.30057	82.8
480.30362	4.1
541.35052	16.5
559.36346	46.4
577.37128	8.3
623.33612	4.5
633.99957	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	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.2
55.05509	25.0
56.31848	1.2
57.03440	19.0
57.07075	1.4
61.02912	4.6
64.45013	1.1
65.03934	3.3
66.04739	1.2
67.05506	63.4
67.17796	1.2
69.03433	9.1
69.07067	24.0
69.15825	3.0
69.16236	10.2
71.01345	1.9
71.04996	8.9
71.08636	1.4
73.02917	2.5
79.05493	56.9
81.03419	67.6
81.07056	84.1
83.04979	21.3
83.08140	2.3
83.08619	31.8
85.02907	25.3
85.06533	4.5
91.03946	1.4
91.05479	59.9
93.07045	58.0
95.04974	30.0
95.08614	31.9
97.02881	7.1
97.06540	15.2
97.10174	8.2
99.04442	2.2
99.08087	3.5
100.09212	1.2
103.05439	2.1
105.04523	2.3
105.07033	41.7
107.04953	16.1
107.08600	32.9
109.02877	1.5
109.06517	7.6
109.10159	12.1
111.04446	3.0
111.08083	12.0
113.06015	2.9
113.09621	2.8
115.05458	3.0
117.07027	11.0
119.08582	36.0
121.06515	6.5
121.10143	21.7
123.08080	5.0
123.11724	4.2
125.09676	5.9
127.03928	2.9
128.06248	1.6
129.05489	2.3
129.07014	14.0
130.07797	1.8
131.08565	24.2
133.06470	4.1
133.10132	27.1
135.08037	4.9
135.11690	14.4
137.09624	5.3
141.07001	2.2
142.07780	3.1
143.08560	3.0
145.10101	13.7
147.08055	4.8
147.11687	23.0
149.09621	15.6
149.13258	10.9
151.11188	2.8
155.08522	2.1
157.10139	18.0
159.11707	11.4
161.09619	1.8
161.13258	3.5
163.11188	7.0
165.12724	4.3
169.10132	1.4
171.11679	2.3
173.04486	3.1
173.13254	3.3
175.11185	18.6
177.12759	3.7
179.14363	1.5
181.12138	1.3
183.11649	2.9
184.07361	1.2
187.11192	1.6
187.14786	1.3
193.12253	43.3
195.13858	5.2
204.56981	1.2
205.12193	1.6
211.13293	65.5
227.12758	2.8
239.18015	2.1
255.15836	13.3
257.19058	6.0
267.15933	31.5
269.17487	41.7
275.20050	21.9
275.22763	2.1
283.15552	1.5
285.16971	62.3
286.17142	1.5
293.21060	1.5
349.23724	21.0
367.24692	4.0
369.24533	1.9
370.01346	1.2
413.21469	1.7
443.27914	2.3
447.27328	8.3
461.29004	37.7
462.29419	1.5
463.31265	1.5
465.28506	18.5
467.31326	1.8
479.30035	100.0
480.30441	2.5
520.16223	1.7
541.35297	9.7
559.36365	23.2
577.37549	6.7
587.32782	1.4
623.34253	3.4
707.15698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05519	19.0
57.03448	17.8
57.07069	3.1
58.46756	1.3
60.02319	1.1
65.03951	3.2
67.05511	66.4
69.03413	3.5
69.07072	16.1
69.51331	6.9
69.65607	1.0
71.04990	3.6
74.77547	1.1
77.11783	1.2
79.05502	43.7
79.05966	2.1
81.03426	82.5
81.07064	57.4
83.04996	7.0
83.08628	23.1
85.06550	2.4
89.04029	0.9
91.04916	1.2
91.05488	33.9
93.07054	47.6
95.04987	29.5
95.08614	43.6
97.02907	1.9
97.06522	4.3
97.10191	7.3
98.20685	1.1
99.08096	2.2
105.06394	2.0
105.07043	25.0
107.04961	6.8
107.08602	27.6
109.06506	4.6
109.07176	1.1
109.10167	19.2
111.04438	2.8
111.08085	7.6
115.05437	1.3
117.07040	8.4
117.11969	1.0
119.08591	24.0
121.06499	4.1
121.10153	23.8
123.04475	1.4
123.08066	3.5
123.11737	7.2
124.72099	1.1
125.09637	6.2
129.06995	9.3
131.08583	20.6
132.27779	1.1
132.75670	1.0
133.06496	3.2
133.10152	14.9
135.08099	2.3
135.11699	13.1
137.09596	3.4
137.13219	1.5
142.07797	2.4
143.08553	2.2
145.10135	11.5
147.08023	4.1
147.11697	13.6
149.09660	7.1
149.13289	6.2
151.11200	1.4
157.10158	11.5
159.11703	6.6
161.13231	5.5
163.11162	2.3
163.14836	3.9
165.12776	2.0
167.08585	1.3
169.10127	1.8
171.10220	1.3
171.11647	2.6
173.13281	7.8
175.11159	7.9
175.14870	3.4
177.16444	1.8
183.11653	1.3
185.13354	1.8
187.14830	3.3
189.11223	3.8
193.12263	21.1
201.16470	2.4
213.16536	1.4
227.12837	7.6
243.21124	5.6
249.14934	2.3
259.13358	1.3
261.22174	21.5
267.15933	100.0
273.14752	1.2
273.19250	1.1
277.70477	1.1
279.22974	1.6
299.23697	1.3
301.14529	1.3
301.25186	6.2
309.16959	2.6
317.24805	4.6
333.24493	1.3
335.25839	88.1
336.25992	2.7
421.25745	2.3
435.27310	2.8
435.32663	3.5
449.29205	1.5
453.33652	8.0
471.34692	4.0
509.36246	1.7
527.37372	66.5
528.37451	2.3
545.38416	57.3
546.39191	1.5
559.40076	3.0
569.38501	5.1
622.16425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.9
58.06606	0.4
60.08168	6.4
67.12029	0.3
69.07072	0.6
69.86396	1.3
71.07374	3.4
71.08627	0.4
81.07053	0.3
86.09707	31.0
90.73677	0.3
95.08620	0.6
98.98469	3.5
104.10751	1.5
113.81773	0.4
121.10091	0.3
125.00008	21.2
132.65950	0.3
166.02600	0.3
181.98474	0.3
184.07344	100.0
185.07681	0.4
194.03833	0.3
197.43539	0.3
308.29520	1.1
622.07550	0.3
756.42346	0.5
756.55389	8.4
757.54828	0.4
782.91412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05509	2.6
56.96560	0.7
57.03452	1.8
59.05001	0.5
61.02931	4.1
65.03945	0.3
67.05508	3.8
69.03435	3.4
69.07067	2.8
69.75193	1.6
71.01349	0.4
71.04985	1.0
72.51706	0.4
73.02923	3.1
78.82298	0.3
79.05502	3.9
81.03424	2.9
81.07059	3.6
83.01339	0.4
83.04987	1.3
83.08611	2.0
85.02905	4.6
87.04498	0.4
89.50988	0.3
91.03948	2.5
91.05479	2.9
93.07057	3.3
95.04970	1.2
95.08603	1.9
97.02888	4.7
97.06546	0.9
97.10170	1.4
98.20842	0.6
99.04467	0.5
101.02392	1.9
103.03938	0.5
105.07015	2.0
107.04942	1.0
107.08599	2.3
107.84762	0.3
109.02882	1.2
109.06534	0.8
109.10157	1.0
111.04461	0.5
111.08066	0.6
117.07024	1.3
119.08583	1.7
121.06478	0.6
121.10143	1.2
123.08099	1.0
125.09637	1.0
127.03925	1.4
131.08575	1.2
133.10141	1.2
135.11690	1.5
142.23114	0.3
145.05013	0.5
145.10143	1.9
147.08145	0.4
147.11736	0.7
149.13251	0.5
157.94220	0.3
159.11731	0.5
163.11192	2.4
171.11694	0.4
184.07361	0.4
185.04276	0.4
203.05298	0.4
209.11760	0.4
223.13356	1.8
225.13701	0.3
227.12819	0.4
243.08400	3.2
249.11067	0.5
275.20218	0.5
283.15408	0.4
291.19348	1.6
301.09045	0.4
309.17010	0.4
331.18887	1.8
387.21283	0.5
467.18915	8.9
497.19778	0.5
540.00177	0.4
549.26837	4.9
775.38715	100.0
776.39117	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	775.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
55.05521	3.7
57.03439	2.9
57.26615	0.5
61.02932	6.1
67.05513	8.7
68.05849	0.7
69.03439	4.3
69.07072	4.4
71.01362	1.5
71.04994	1.6
73.02920	4.9
75.67160	0.6
76.75765	0.5
79.05500	7.1
80.55164	0.6
81.03426	4.5
81.07063	9.4
82.07404	0.7
83.01363	0.6
83.04989	2.6
83.08624	2.6
85.02914	7.1
85.06532	0.8
87.04495	0.5
91.03971	3.9
91.05489	6.0
92.33247	0.5
93.07045	7.2
95.04972	2.4
95.08608	4.8
97.02892	5.7
97.06552	1.5
99.04465	1.7
99.08090	0.8
101.02389	2.0
105.07040	4.8
107.04973	1.6
107.08607	4.7
109.02906	0.7
109.06533	1.7
109.10176	2.2
111.08125	1.2
117.07045	1.7
119.08598	2.9
119.71462	0.5
121.06534	1.5
121.10159	2.0
123.08109	2.0
123.11710	0.7
125.09621	0.7
127.03939	1.4
129.05534	0.7
129.07048	0.8
131.08574	2.0
133.06517	0.5
133.10132	3.6
135.08084	0.8
135.11702	2.3
137.09669	0.6
143.08626	1.1
145.05054	0.6
145.10133	2.6
147.11795	1.3
148.91780	0.6
149.09587	1.0
149.13264	1.4
151.11220	0.9
157.10213	0.5
159.11723	1.4
161.09676	0.7
163.11179	2.9
173.09615	0.7
175.11238	0.7
184.07431	0.9
185.04240	1.0
193.12274	1.1
209.11786	0.8
243.08496	3.4
269.17401	2.5
270.17935	1.6
273.18423	0.7
283.15396	0.7
283.70285	0.6
313.17630	0.8
331.18854	3.5
349.23880	0.9
350.24115	1.2
424.28192	0.6
451.19537	1.0
465.21259	0.7
467.18945	10.4
473.28088	0.6
529.02319	0.8
531.25739	1.2
539.21210	1.1
543.36914	0.7
544.37274	2.4
549.26923	3.2
551.28546	1.9
677.31378	3.3
706.31177	0.8
757.37695	10.1
775.38989	100.0
776.38812	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	775.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05511	3.5
56.96573	0.7
57.03431	2.0
61.02919	4.9
67.05506	8.4
68.82561	0.7
69.03447	3.3
69.07078	4.5
71.01352	0.7
71.04983	0.9
73.02928	3.3
79.05495	9.7
81.03425	4.3
81.07056	9.0
83.04985	1.6
83.08632	2.4
85.02894	5.7
91.03966	2.4
91.05486	7.6
93.07038	7.4
95.04980	2.2
95.08598	5.9
97.02892	4.9
97.06540	1.4
97.10173	1.5
98.21521	1.2
99.04438	0.8
101.02392	1.9
105.07037	6.4
107.04979	1.4
107.08604	4.0
109.06540	0.9
109.10162	1.7
111.08101	1.0
117.07033	1.5
119.08573	4.1
121.06509	0.7
121.10152	1.0
127.03947	1.2
128.70775	0.6
128.74535	0.6
129.07034	1.9
131.08604	1.3
133.10150	2.6
135.11647	1.2
143.08549	0.7
145.04997	0.7
145.10159	2.5
147.11703	3.3
149.09605	0.8
157.10205	0.7
159.11711	1.1
161.13287	1.1
171.11769	1.0
173.13318	0.7
184.07422	2.0
185.04361	1.0
193.12314	1.0
195.13904	0.8
211.13341	1.2
212.13646	0.7
243.08501	2.6
247.13200	2.0
259.20697	1.1
269.17545	1.7
270.17896	1.1
275.20099	1.1
285.16983	1.3
333.20450	2.4
333.24176	0.7
349.23611	0.9
439.19656	1.1
453.21631	0.9
465.21008	9.0
505.72128	0.6
543.37006	0.9
544.37457	1.4
551.28241	6.2
613.37262	0.7
689.15948	0.8
728.56744	0.6
775.42334	100.0
776.42548	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	775.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05508	3.4
57.03438	3.3
61.02928	5.1
61.87121	0.5
64.59714	0.5
65.03922	0.6
67.05502	8.4
68.05815	0.6
69.03436	5.1
69.07065	3.5
70.07403	0.7
70.36633	1.0
70.36965	0.8
71.01372	0.7
71.04997	1.5
73.02916	4.2
79.05488	7.6
79.37165	0.5
81.03419	3.6
81.07062	9.7
82.07391	0.7
82.98276	0.5
83.04992	2.0
83.08620	2.0
85.02905	5.7
91.03959	4.4
91.05478	8.1
93.07041	8.0
94.07405	0.5
95.04998	2.5
95.08603	5.9
97.02887	5.5
97.06541	1.3
97.10206	0.8
99.04465	0.9
101.02368	2.4
105.07027	5.3
107.04971	2.0
107.08603	4.4
107.17281	0.5
109.02924	0.9
109.06503	1.1
109.10146	2.4
117.07027	1.9
119.08607	2.9
121.10165	2.2
123.08099	0.8
123.11749	1.0
124.20981	0.5
127.03922	2.0
129.05490	1.1
129.07071	1.6
131.08591	1.7
133.10138	3.4
135.11726	1.9
143.08574	1.2
145.10185	1.9
147.08054	0.7
147.11697	1.3
149.13292	1.4
151.11247	1.0
157.88199	0.5
159.11742	1.2
163.11194	1.4
171.11729	1.2
173.13167	0.5
184.27231	0.6
185.04300	0.9
193.12300	1.2
195.13814	0.6
243.08426	3.4
247.13116	0.7
255.15982	0.6
269.17545	1.4
270.17871	0.7
275.20163	0.7
283.15433	0.9
315.10541	0.6
331.18787	1.5
333.20337	1.3
341.98721	0.6
350.24365	0.7
439.19571	0.9
451.19730	1.1
453.21149	0.7
465.20898	5.8
467.18866	4.3
531.25751	1.3
539.21179	0.8
544.36957	1.4
549.26874	2.3
551.28412	3.5
647.75494	0.5
677.32587	1.1
757.37878	5.0
775.40527	100.0
776.41492	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	776.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.8
55.05519	41.1
56.48643	1.1
57.03445	16.4
57.07073	4.1
59.04999	4.3
61.02929	3.0
65.03932	3.4
67.05511	100.0
69.03432	3.4
69.06732	1.3
69.07079	17.7
69.11736	1.1
71.04996	6.0
71.08657	1.3
71.53719	1.3
73.02924	2.9
74.58574	1.1
74.63005	1.4
77.03895	1.3
79.05502	49.9
81.03429	7.8
81.07065	68.2
83.04997	6.4
83.08634	17.1
84.78317	1.1
85.02914	14.5
85.06546	3.6
87.04473	5.0
91.03958	1.5
91.05493	28.5
93.06483	2.2
93.07056	44.0
93.07634	2.7
95.04958	4.4
95.08616	42.8
97.02901	4.2
97.06565	6.1
97.10176	23.6
105.07050	17.9
107.04942	2.6
107.08609	31.5
109.06519	3.9
109.10167	48.9
111.04459	1.2
111.08064	3.7
111.11742	1.6
117.07024	9.6
119.08594	13.8
121.06524	1.7
121.10161	22.2
123.08054	1.7
123.11742	4.8
125.09650	16.8
129.06992	1.8
131.08589	14.5
132.09047	1.2
133.10155	10.8
135.08049	1.6
135.11714	13.2
135.56534	1.4
137.09604	2.8
139.11246	2.1
139.99147	1.3
143.08632	2.1
143.10715	3.0
145.10130	11.7
147.08038	1.7
147.11707	9.3
149.09628	3.6
149.13271	7.0
155.08588	2.3
155.10718	3.4
157.10150	1.9
159.11685	7.4
161.13304	6.3
163.11194	5.6
163.14816	3.3
167.10754	1.4
171.11710	2.5
173.11755	10.4
173.13295	6.5
175.14830	1.5
181.10063	1.5
184.07401	3.2
185.13287	2.1
187.14868	3.3
191.10620	2.7
193.12206	3.0
197.13466	1.5
199.13298	10.6
201.16331	1.5
203.12816	2.1
209.11703	4.9
211.13278	1.8
217.14310	2.8
227.12683	7.1
229.14378	35.5
230.92017	1.1
241.14229	1.6
243.21118	3.7
245.13889	4.1
259.20609	1.7
261.22214	10.8
267.15961	4.9
271.20630	1.4
277.21555	1.9
283.15375	3.0
285.16821	1.3
285.22153	1.3
299.23438	1.3
301.16452	20.3
317.24774	2.7
319.17352	2.2
327.23291	1.3
333.24283	1.3
335.25821	71.1
351.25134	1.6
363.25409	2.0
389.27090	1.5
419.27969	1.9
459.34955	1.9
477.35880	15.6
487.33209	1.4
489.35989	11.7
543.36798	6.5
561.37689	12.2
579.38916	7.5
632.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.0
55.05513	45.6
57.03446	16.0
57.03723	2.4
57.07064	3.5
59.04995	4.0
61.02915	5.7
62.86103	1.6
65.03933	5.1
67.05508	100.0
69.03429	4.0
69.07072	22.5
70.42896	3.0
70.43256	3.2
71.01341	2.6
71.04983	4.5
73.02912	2.1
79.05498	51.4
81.03423	7.7
81.07061	62.4
83.04978	5.4
83.08617	19.1
85.02908	20.4
85.06527	4.0
87.04483	10.7
91.03926	1.9
91.05485	28.3
93.07043	49.4
95.04956	5.8
95.08610	44.1
97.02876	3.3
97.06526	4.8
97.10171	26.6
99.08080	1.6
103.03947	1.8
105.04533	1.5
105.07037	19.7
107.04978	2.7
107.08606	31.1
109.06504	4.6
109.10157	48.3
111.08079	3.7
117.07013	7.4
119.08593	16.9
121.10143	21.1
123.08060	3.8
123.11715	5.7
125.09637	21.4
129.07007	4.0
131.08592	12.4
133.10126	13.2
135.11710	13.6
137.09619	4.5
137.83810	1.3
139.11174	2.6
143.08495	2.0
143.10680	4.7
145.10124	11.1
147.11632	7.1
149.09637	2.6
149.13251	4.3
155.08492	2.0
155.10664	3.3
157.10120	4.5
159.11681	6.6
161.13246	5.8
163.11188	4.2
163.14818	3.2
171.11740	2.1
173.09557	1.5
173.11737	12.6
173.13278	5.8
175.14745	2.0
181.12268	2.5
181.72328	1.4
184.07288	2.4
187.14824	2.8
189.11238	2.8
191.10738	2.2
193.12297	2.9
199.13336	10.6
199.14871	2.2
209.11652	3.7
211.13197	2.6
217.14326	1.8
227.12852	12.0
229.14363	42.4
243.21140	2.9
245.13869	4.8
257.13818	1.5
261.22217	12.5
267.15991	6.6
277.21698	1.7
283.15515	2.5
285.17059	2.3
299.23911	1.7
301.16495	19.0
303.23291	1.8
315.23004	2.1
317.24774	3.8
319.17447	2.0
333.24332	1.5
335.25812	67.7
336.26205	2.2
337.27225	1.7
363.25189	2.4
369.46274	1.6
393.76953	1.5
447.17709	3.9
459.34201	1.7
469.32919	3.0
477.35709	10.5
489.35672	8.3
543.36993	6.5
561.37891	12.4
579.38806	4.7
776.41193	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
55.05510	36.7
57.03189	1.2
57.03440	16.5
57.07057	3.3
59.04989	2.9
61.02907	3.4
65.03921	3.7
67.05504	100.0
68.05846	1.0
69.03417	3.6
69.06724	1.5
69.07069	16.7
71.01347	1.6
71.04977	3.1
73.02895	1.9
79.05492	48.1
81.03418	6.0
81.07057	61.8
83.04975	6.1
83.08616	16.5
85.02904	15.2
85.06522	3.0
87.04471	6.3
91.03949	1.7
91.05481	28.3
93.07046	43.4
95.04986	5.2
95.08606	41.1
96.08927	1.2
97.02872	5.3
97.06530	4.5
97.10173	19.0
98.20675	1.7
103.03926	1.9
105.04539	1.1
105.07046	16.9
107.04922	3.2
107.08595	29.5
109.06503	2.5
109.10159	54.1
111.04417	1.7
111.08046	3.1
115.03882	1.1
117.07026	6.7
119.08588	14.1
121.06497	0.9
121.09312	1.7
121.10143	21.1
123.08063	2.6
123.11692	5.1
125.09637	20.7
129.05455	0.9
129.06992	2.9
131.08574	11.7
133.06493	0.9
133.10120	8.4
135.08040	1.5
135.11693	13.1
137.09572	3.0
137.13263	1.4
139.11159	2.0
143.08545	1.8
143.10674	3.4
145.10133	11.5
147.08072	0.9
147.11684	8.3
149.09627	2.7
149.13263	5.7
153.12689	1.4
155.08582	1.2
155.10670	3.7
157.10107	2.2
159.11693	6.2
161.13268	6.9
162.10164	0.8
163.11211	4.6
163.14777	2.0
167.10641	1.2
169.10049	1.0
171.11693	2.3
173.09605	1.0
173.11726	12.7
173.13260	6.0
175.11165	1.0
175.14775	1.8
177.12708	2.1
181.12236	1.9
184.07333	2.3
185.13185	2.0
187.14832	2.7
189.11197	1.8
189.16396	0.9
191.10707	2.2
193.12190	2.6
199.13284	11.5
199.14943	1.8
201.14691	1.0
201.16405	1.0
203.14354	0.9
209.11624	4.3
211.13260	1.4
217.14362	2.0
227.12767	7.2
229.14346	39.5
231.40631	0.8
243.21129	5.0
245.13754	2.1
259.20410	1.8
261.22174	15.2
267.15878	3.8
271.20422	0.9
277.21573	1.3
283.15378	3.4
289.21524	1.6
301.16461	19.6
315.23059	2.2
317.24753	2.1
327.23611	1.0
333.24078	1.5
335.25784	83.0
336.26019	2.1
363.25076	2.6
451.32272	1.3
459.34470	2.3
465.20776	2.4
466.21353	5.3
469.33301	1.1
477.35699	9.5
477.90338	1.0
489.35834	15.1
525.35614	1.6
543.36835	5.2
561.37714	10.2
579.38727	1.5
627.11163	1.1
651.23810	0.9
689.34564	1.6
690.35309	16.3
728.74744	1.0
751.12653	1.0
758.40332	1.1
776.41913	6.0
777.41132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.6
55.05516	37.7
57.03447	23.5
57.07054	3.2
61.02919	10.8
64.92838	2.9
65.03943	4.9
67.05514	100.0
68.05841	3.9
69.03448	15.3
69.07071	20.9
69.86199	14.8
71.04990	11.8
71.08630	8.2
73.02914	8.1
79.05079	4.8
79.05505	79.9
81.02988	4.7
81.03434	71.7
81.06600	4.9
81.07068	91.6
83.04987	23.6
83.08620	36.2
83.26914	2.6
85.02502	3.7
85.02919	37.1
85.06543	8.1
86.09676	4.6
91.03953	6.5
91.05489	71.1
93.07056	78.7
95.04974	32.4
95.08609	46.5
97.02886	15.3
97.06545	15.9
97.10181	10.7
99.04470	4.1
99.08090	8.8
105.07042	51.2
106.24501	2.6
107.04971	10.2
107.08594	37.5
109.02933	3.4
109.06504	8.2
109.10152	24.2
111.04465	3.3
111.08076	12.0
115.05477	3.1
117.07056	14.0
119.07913	3.1
119.08605	33.6
121.06563	4.4
121.10159	28.9
123.08073	7.2
123.11697	7.1
125.09668	7.3
127.03911	7.1
129.05479	8.3
129.07021	17.5
131.08580	34.0
133.10155	27.1
134.11526	3.3
135.11737	17.1
137.09624	5.8
139.52808	2.5
142.07849	2.8
143.08504	3.2
145.10127	13.6
147.08086	3.7
147.11714	25.5
147.22508	2.7
149.09645	7.6
149.13277	16.8
151.11127	3.4
154.89571	2.7
157.10126	17.8
159.11691	14.6
161.13231	7.9
163.11176	8.9
163.14806	8.1
165.12798	3.8
169.67279	2.7
173.13177	4.5
175.11208	17.4
175.14803	4.2
177.12775	4.6
184.07399	6.5
187.14767	4.1
189.11244	5.2
193.12277	46.1
195.13841	5.1
211.13300	62.7
227.12907	5.4
243.21129	9.9
255.15895	3.6
261.22198	19.5
267.15915	28.4
269.17462	15.5
270.17755	3.4
277.21738	6.5
279.15945	3.1
279.53912	3.4
285.16983	55.8
293.17398	3.8
335.25790	33.0
351.25235	7.2
385.54309	3.2
427.18234	4.1
435.32483	6.4
453.33472	4.9
461.28775	4.1
466.20648	3.6
479.30051	31.1
479.41281	3.1
482.99402	3.1
527.37463	37.4
545.38391	46.7
552.28937	3.5
561.38080	6.3
691.33429	4.1
776.42645	55.1
777.39539	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	776.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
55.05507	21.3
57.03441	15.2
57.07076	4.5
59.05025	1.0
65.03927	2.1
67.05502	52.6
69.03419	2.8
69.07066	24.7
69.52951	4.1
69.53369	2.2
71.04991	3.7
71.08627	1.8
79.05490	22.8
81.03414	77.6
81.07056	57.3
82.56214	1.0
83.04996	5.6
83.08617	27.8
85.02895	1.7
85.06560	1.6
86.09715	1.4
91.04904	1.1
91.05476	22.5
91.06020	1.9
93.07044	22.5
95.04967	23.8
95.08603	41.9
97.02888	2.8
97.06518	4.8
97.10166	11.9
99.08126	2.1
105.07020	15.4
107.04968	6.0
107.08591	12.9
109.06520	4.2
109.10157	22.1
111.04469	1.8
111.08084	7.2
111.11709	1.5
115.05453	1.7
117.07003	2.3
119.08581	16.9
121.06491	2.1
121.10147	12.4
123.08058	2.5
123.11701	6.3
125.09633	3.7
129.07018	8.2
131.08571	9.4
133.06491	2.2
133.10117	11.1
135.07982	1.7
135.11679	4.6
137.09607	1.3
137.13277	2.9
139.11201	1.4
142.07726	2.2
143.08565	1.5
145.06615	1.2
145.10132	2.6
146.98199	1.2
147.08067	3.3
147.11670	9.7
149.09621	4.5
149.13261	3.1
151.14888	1.0
157.10112	9.6
158.22617	1.1
159.11691	1.8
161.13263	4.5
163.11206	2.3
163.14838	1.4
165.12807	1.2
165.16411	1.2
171.11673	1.4
175.11177	8.0
175.14818	2.8
175.68765	1.0
184.07495	1.3
189.11349	1.5
189.12819	1.1
193.12248	20.5
211.13235	2.7
227.12762	2.7
235.13249	0.9
245.22618	3.1
249.14868	2.9
255.47617	1.1
263.23712	6.6
267.15906	100.0
268.16226	1.7
301.14352	1.8
309.17059	1.7
337.27353	96.4
338.27832	1.7
421.25641	1.3
435.27618	1.1
437.34158	2.0
455.35172	5.3
473.36160	3.2
489.35083	1.9
529.38892	88.6
530.38995	3.9
547.39941	55.6
548.39984	2.4
561.41241	3.0
571.40033	5.5
579.41840	1.3
613.33716	1.9
625.41095	1.8
672.41321	2.2
673.43365	1.3
776.39246	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	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05513	1.6
56.96550	0.5
57.03436	2.3
61.02927	3.4
67.05505	4.3
69.03432	2.5
69.07075	1.4
70.62779	0.9
71.01334	0.4
71.04991	0.8
72.50268	0.3
73.02917	3.2
77.87926	0.3
78.61457	0.3
79.05491	3.4
81.03419	3.1
81.07053	5.7
83.04979	1.4
83.08620	1.2
85.02898	5.4
86.09701	1.0
87.04475	0.5
91.03934	2.6
91.05479	3.6
93.07033	2.9
93.70036	0.3
95.04958	1.5
95.08619	2.0
97.02887	4.7
97.06545	0.8
97.10146	0.3
98.97596	1.4
99.04461	1.0
101.02361	1.7
105.07041	2.9
107.04958	0.7
107.08607	1.8
109.02866	0.7
109.06506	0.7
109.10137	1.9
110.97589	0.3
111.04421	0.3
111.08103	0.7
115.03888	0.3
116.98605	0.6
117.07037	0.8
117.92579	0.3
119.08607	1.7
121.06488	0.5
121.10163	1.5
123.08044	0.6
123.11706	0.5
125.09638	0.5
127.03941	1.1
129.07030	0.7
131.00172	0.7
131.08595	0.9
133.10129	1.5
135.11696	0.9
145.10144	1.5
147.11707	0.9
149.01260	0.7
149.09608	0.4
149.13333	0.4
151.11229	0.4
157.10103	0.6
158.99614	0.7
160.10263	0.3
163.11203	0.9
170.99658	0.7
173.01340	0.5
177.00731	0.4
184.07333	2.8
189.00699	0.4
191.10735	0.4
193.12277	1.0
203.05275	0.6
243.08331	3.2
251.12614	0.7
261.02808	0.3
279.04037	0.5
283.15338	0.4
293.05447	0.4
295.05811	0.4
321.04916	1.0
331.18896	1.3
333.20242	0.8
439.19717	0.7
451.19617	0.3
453.21271	0.7
467.18854	4.1
469.20395	5.5
529.01990	0.4
549.26923	1.6
551.28247	2.9
679.32672	0.8
696.80511	0.4
717.33154	1.1
777.40295	100.0
778.40735	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	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05515	2.1
57.03437	1.7
61.02930	4.1
66.71805	0.3
67.05509	3.4
69.03436	3.0
69.07074	2.1
69.90340	0.8
69.90753	0.4
71.01341	0.4
71.05010	1.1
73.02924	3.1
78.42249	0.2
79.05499	2.9
81.03418	3.5
81.07061	3.9
83.01348	0.3
83.04974	1.2
83.08640	1.2
85.02914	4.8
86.09718	0.9
87.04479	0.4
91.03959	2.4
91.05491	2.6
93.07053	2.7
94.47916	0.2
95.04969	1.4
95.08608	1.5
97.02896	3.9
97.06526	0.8
97.10204	0.6
99.04466	0.8
101.02405	1.4
105.07041	1.6
107.04970	0.8
107.08602	1.4
109.02908	0.8
109.06526	0.6
109.10163	0.8
111.04503	0.5
111.08089	0.6
113.35266	0.2
117.06997	0.5
119.08595	1.7
121.06537	0.3
121.10149	0.6
123.08115	0.5
124.99155	0.2
125.00028	0.8
125.09643	0.7
127.03932	1.2
129.05505	0.4
129.07022	0.7
131.08607	0.8
133.06439	0.3
133.10144	1.0
135.08061	0.4
135.11748	0.8
137.09656	0.3
145.04865	0.3
145.10176	0.7
147.08034	0.4
147.11700	1.0
149.09610	0.3
149.13277	0.2
157.10194	0.8
163.11237	1.0
175.11241	0.5
184.07330	3.3
185.04295	0.6
185.07698	0.5
189.11205	0.3
193.12241	1.2
195.16248	0.2
203.05336	0.5
211.13431	0.5
214.41437	0.2
223.13309	0.9
243.08420	3.4
251.12651	0.7
259.08014	0.4
291.19748	0.9
301.09122	0.4
305.13538	0.3
315.10843	0.3
331.18701	1.1
333.20328	0.8
387.21469	0.5
389.22766	0.4
439.19522	0.5
453.21036	0.5
467.18951	3.0
469.20490	6.4
549.26825	2.8
551.28326	2.2
599.73010	0.2
615.34790	0.2
665.31525	0.3
678.81543	0.2
679.33594	0.2
777.40326	100.0
778.40594	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	777.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05507	1.1
57.03438	1.8
58.31841	0.3
58.51033	0.3
61.02933	4.7
65.03957	0.3
67.05506	3.4
69.03428	2.8
69.07069	1.6
71.01363	0.6
71.04990	0.9
73.02924	3.4
79.05501	2.6
81.03423	4.2
81.07063	3.7
82.03712	0.4
83.04982	1.6
83.08606	1.5
83.18150	0.3
85.02905	5.7
85.06489	0.3
90.95825	0.3
91.03963	2.2
91.05479	4.1
93.07059	2.4
95.04981	1.8
95.08625	1.8
97.02898	3.5
97.06577	0.6
99.04457	0.9
101.02400	1.4
105.07039	2.7
107.04989	0.8
107.08620	1.0
108.97118	0.3
109.02880	0.7
109.06552	0.8
109.10169	1.1
111.08115	0.5
117.07032	0.7
119.08556	1.9
121.06537	0.3
121.10145	0.8
123.08117	0.4
127.03925	1.3
129.05531	0.4
129.07057	0.8
131.08591	0.8
133.06564	0.4
133.10147	2.5
137.09610	0.4
142.07762	0.4
145.10202	0.6
147.11716	1.1
149.09686	0.5
151.11176	0.5
157.10182	1.1
165.12764	0.3
175.11208	1.0
184.07367	1.2
185.04279	0.6
193.12241	2.6
203.05292	0.6
211.13269	0.9
243.08388	2.5
251.12648	0.9
267.09061	0.7
269.10706	0.4
285.17294	0.4
298.94019	0.3
301.08981	0.4
307.15326	0.4
313.17834	1.2
331.18845	2.7
371.16690	0.4
451.19598	0.8
469.20465	11.5
531.25635	1.7
541.22803	0.8
549.26703	1.7
675.38751	0.3
679.33179	1.7
759.39191	6.9
777.40216	100.0
778.40259	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	777.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
59.05003	1.2
60.15898	1.2
61.02943	1.3
67.05524	1.8
69.03433	8.6
69.07060	3.5
79.05499	2.1
81.07060	4.0
83.04990	4.7
83.08620	2.9
85.02905	5.1
85.06550	2.1
91.05453	1.9
93.07032	5.3
95.08610	5.8
97.02906	1.7
97.06535	1.1
97.10172	2.5
99.08118	6.9
105.07034	3.5
107.08595	13.0
109.06563	2.1
109.10131	6.2
111.08072	3.5
113.09543	1.2
119.08553	1.9
121.06504	1.5
121.10169	7.8
123.11682	1.3
125.09637	47.4
133.10133	4.1
135.08067	4.6
135.11681	2.0
137.05975	1.4
137.09605	3.3
139.11195	1.8
147.11766	1.3
149.09625	53.7
149.13280	7.1
151.11191	12.7
153.09105	13.5
163.14792	5.9
165.12773	1.2
167.10655	1.4
167.14410	1.1
173.13278	3.8
176.10832	1.3
191.14311	25.3
209.15376	100.0
210.15720	1.9
211.15660	1.1
227.16425	34.8
229.07663	1.3
316.35281	1.3
371.20480	2.1
389.21896	2.5
408.69455	1.6
458.29099	1.2
655.27942	1.2
696.32318	1.3
777.25574	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	778.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02048	0.9
54.43439	0.8
55.01873	1.4
55.05271	1.3
55.05513	19.2
57.03439	15.0
57.07079	6.6
60.08149	2.0
65.03930	1.2
67.05509	21.7
69.03422	1.8
69.07072	25.8
69.95508	3.7
71.04991	1.1
71.08625	4.7
77.93873	0.7
79.05498	14.7
81.03419	60.0
81.07055	26.0
83.04980	3.6
83.08624	31.0
85.02892	1.2
85.06541	2.0
85.10187	2.5
86.09298	0.9
86.09717	9.7
91.04963	1.3
91.05482	13.1
93.07050	13.0
93.49413	0.8
95.04965	19.2
95.08611	21.1
96.08960	0.7
97.02875	2.5
97.06510	2.8
97.10178	12.4
98.98441	1.2
99.08132	1.3
105.07034	9.4
107.04933	3.3
107.08068	0.7
107.08602	6.6
109.06506	2.6
109.10164	10.4
111.04418	1.4
111.08086	7.6
111.11711	2.9
111.49103	0.8
115.05421	0.9
117.06989	1.4
119.08585	9.9
121.06494	2.7
121.10139	11.3
123.04435	0.7
123.08075	0.8
123.11694	2.7
123.12649	0.9
125.00012	5.8
125.09616	1.3
125.13251	0.9
129.07002	5.1
131.08559	7.3
133.06491	1.3
133.10117	4.5
135.11700	5.7
137.13187	0.7
142.07719	2.0
145.10109	2.2
147.08044	3.1
147.11694	6.7
149.09599	3.6
149.13225	3.0
151.14822	0.8
152.37227	0.8
152.86197	0.8
157.10127	8.0
163.11171	1.5
163.85381	0.8
165.12680	1.6
175.11203	7.1
177.16373	1.1
184.07343	31.6
185.13403	0.7
187.90750	0.8
193.12245	21.3
211.13295	1.9
211.33237	0.9
235.13358	2.2
247.24332	1.5
249.14874	2.1
259.13293	1.1
265.25235	2.1
267.15918	100.0
268.16232	1.5
301.14264	1.7
309.16882	2.1
339.28955	90.2
340.29272	1.9
457.36557	1.8
475.38257	1.1
531.40454	78.9
532.40430	2.2
549.41528	13.6
563.43079	1.9
573.41229	2.8
627.42169	1.0
794.26892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.538
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05501	0.1
56.05041	0.7
58.06618	0.5
59.07368	0.1
60.08167	5.8
67.05505	0.2
67.56906	0.1
69.07073	0.1
70.03195	0.1
70.06569	0.3
71.07377	3.1
79.05492	0.3
79.85587	0.1
81.07056	0.2
83.08619	0.1
86.09708	30.2
87.10078	0.1
91.05478	0.2
91.94353	0.1
93.07040	0.3
93.82462	0.1
95.08611	0.2
98.98470	3.4
104.10754	2.4
105.07040	0.1
107.08611	0.1
116.07116	0.3
121.10137	0.1
125.00009	20.9
143.01036	0.1
145.21770	0.1
148.06866	0.1
166.02704	0.2
184.07346	100.0
185.07750	0.4
205.86308	0.1
518.32330	0.2
564.66333	0.1
638.87286	0.1
665.73566	0.1
740.94061	0.1
763.38306	0.1
778.53809	2.9
779.53467	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	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05505	2.1
57.03429	1.6
61.02926	3.8
67.05505	3.2
69.03426	2.4
69.07063	2.4
71.01348	0.6
71.04971	0.6
73.02921	2.4
74.16199	0.4
79.05489	2.8
81.03426	3.7
81.07069	2.8
83.04978	0.9
83.08621	1.8
83.72552	0.3
85.02911	5.3
86.09682	0.6
87.04459	0.6
91.03955	2.3
91.05475	2.4
93.07041	1.7
95.04970	1.3
95.08593	1.2
97.02899	3.8
97.10168	3.1
98.21531	0.8
99.04433	0.6
101.02394	1.1
101.84521	0.3
105.07025	1.4
107.08604	1.9
109.02856	0.9
109.06572	0.5
109.10164	0.7
117.07008	0.4
119.08578	1.8
121.10164	0.6
124.99972	0.5
125.09631	2.7
127.03948	1.0
129.06981	0.7
131.08592	0.8
133.10135	1.1
135.08069	0.4
145.10182	0.4
147.11729	0.6
157.10187	0.7
171.10213	0.4
175.11195	0.8
183.54294	0.4
184.07416	1.7
185.04189	0.7
189.11246	1.1
193.12273	1.3
203.05341	0.4
211.13258	0.7
243.08427	3.1
251.12595	1.0
301.09091	0.8
303.19489	0.4
333.20306	4.9
389.22937	0.7
469.20465	8.6
470.20737	0.5
481.20602	0.8
483.97314	0.4
551.28290	6.8
716.28198	0.5
779.41846	100.0
780.41846	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	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05511	1.7
57.03439	2.3
61.02929	4.6
67.05510	4.1
69.03436	3.0
69.07072	3.1
70.78575	0.5
70.78897	0.4
71.04983	1.0
73.02921	3.5
79.05492	4.0
81.03419	3.9
81.07063	5.1
83.04973	1.1
83.08614	1.5
85.02908	5.9
86.09715	0.7
87.04478	0.5
91.03964	2.3
91.05486	4.1
93.07046	3.0
95.04967	2.0
95.08608	2.6
97.02908	4.1
97.06537	0.7
97.10153	0.3
99.04465	1.0
99.08098	0.4
101.02393	2.0
103.03948	0.5
105.07044	2.5
107.04974	0.3
107.08585	2.2
109.02883	0.8
109.06528	0.8
109.10170	0.8
111.08076	0.5
113.06023	0.3
115.03950	0.4
117.07050	0.8
119.08585	2.4
121.10162	1.4
123.08056	0.5
123.11734	0.5
125.00016	0.6
127.03947	1.5
129.07045	0.7
131.08595	1.5
133.10139	1.8
135.11719	1.2
145.05064	0.2
145.10124	0.8
147.11696	1.3
149.09650	0.5
149.13290	0.4
151.11230	0.4
157.10208	0.7
159.11728	0.6
163.11253	0.3
175.11206	0.6
177.12686	0.3
184.07350	2.6
185.04297	0.8
185.07735	0.3
193.12302	1.2
203.05396	0.4
207.11917	0.3
211.13287	0.4
221.11465	0.4
243.08386	2.9
251.12645	1.5
261.14966	0.3
297.00153	0.3
307.15259	0.6
333.20288	2.0
380.36349	0.3
389.23184	0.5
439.19608	1.6
453.21194	1.0
469.20450	7.8
551.28302	8.1
551.36316	0.5
552.28796	0.3
617.37140	0.5
681.34558	0.4
779.41870	100.0
780.42175	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	779.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05516	1.2
57.03440	1.9
61.02927	4.1
65.03938	0.4
65.55489	0.2
67.05503	3.2
69.03429	2.6
69.07065	1.6
69.84439	0.2
70.70422	0.7
71.01328	0.3
71.04989	0.8
73.02920	3.3
79.05492	3.1
81.03420	4.0
81.07053	3.9
83.04991	1.2
83.08617	1.4
85.02905	5.7
85.06521	0.3
86.09706	0.6
87.04513	0.3
87.88143	0.2
91.03948	2.0
91.05488	3.2
93.07041	2.9
95.04976	1.6
95.08616	1.7
97.02899	3.8
97.06557	0.7
99.04457	0.6
101.02385	1.7
103.03960	0.5
105.07036	2.8
107.04993	0.8
107.08576	1.7
109.02908	0.7
109.06498	0.4
109.10168	0.6
111.08084	0.5
115.03946	0.3
117.07047	0.5
119.08579	1.9
121.10155	0.9
125.00043	0.3
127.03902	1.3
129.07021	1.1
131.08569	1.4
133.10149	1.7
135.11720	0.8
137.09645	0.3
145.05014	0.4
145.10167	0.4
147.11710	1.5
149.09605	0.4
157.10162	1.0
158.77864	0.2
159.11795	0.3
163.11244	0.4
175.11227	0.8
181.12120	0.2
184.07344	2.2
185.04298	0.4
185.07635	0.5
193.12215	1.4
203.05258	0.6
211.13364	0.6
243.08380	2.6
251.12672	1.1
269.12326	0.3
300.87424	0.3
307.15347	0.7
333.20465	1.8
389.23132	0.7
439.19510	1.0
453.21173	1.1
469.20432	11.8
551.28284	4.5
569.50793	0.3
617.36823	0.4
681.34729	0.6
697.34796	0.3
724.69092	0.3
779.41827	100.0
780.42145	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	779.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05516	1.9
57.03436	1.9
61.02932	4.6
67.05510	3.8
69.03432	3.2
69.07074	1.2
70.63850	0.7
70.64179	1.2
73.02915	3.6
79.05516	3.4
81.03452	2.9
81.06664	0.6
81.07066	4.2
83.01087	0.7
83.04996	0.8
83.08623	1.1
85.02908	5.8
86.85458	0.5
91.03948	4.6
91.05496	4.2
92.21326	0.5
93.07057	3.6
95.04996	1.1
95.08623	2.5
97.02911	4.7
99.04446	0.9
99.93098	0.6
101.02386	2.0
105.07018	2.8
107.08624	1.6
109.06554	0.7
111.08117	0.7
117.06995	0.9
119.08617	1.8
121.10173	1.8
127.03941	1.1
129.05537	1.6
131.08617	0.9
133.10153	1.6
137.40263	0.7
145.10149	1.4
147.11725	1.6
149.09668	0.9
157.10178	0.8
163.11253	0.7
184.07420	2.1
185.04254	3.2
193.12283	1.3
201.03804	1.0
203.05310	1.3
209.50163	0.6
243.08389	4.2
247.13039	0.7
251.12712	1.0
301.08978	8.9
301.12119	0.6
313.09024	1.3
315.10693	2.2
317.20715	1.0
327.10947	0.7
333.20261	0.7
341.12347	1.3
343.13873	0.8
355.13791	0.8
357.15347	0.9
357.24124	0.8
365.34879	0.6
369.15356	1.0
371.16794	0.8
373.11243	2.2
383.16968	1.2
385.18384	4.8
415.24774	1.0
429.17545	1.4
443.18774	0.7
457.20810	0.9
465.20981	5.5
467.18967	1.4
469.20490	9.7
471.21799	0.7
495.22186	1.4
499.34161	1.2
525.23077	10.0
531.29517	0.9
533.27509	0.7
535.29010	8.1
551.28235	1.6
594.30237	1.1
607.31171	4.6
609.32501	2.2
621.32941	1.0
635.34387	1.0
649.35339	1.2
651.33435	0.8
663.33844	1.1
665.34119	0.7
677.38293	2.9
678.39673	1.5
681.34735	1.0
693.34558	36.5
694.35120	1.2
695.39471	4.4
717.41791	0.6
761.40900	6.7
779.41760	100.0
780.42560	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	779.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05511	3.6
56.96565	2.4
57.03433	3.6
61.02929	11.7
67.05511	11.6
69.03427	7.6
69.07069	5.0
70.64015	3.1
70.64349	3.8
71.04973	5.5
73.02923	9.3
75.89022	1.8
76.86446	1.8
79.05489	8.5
81.03432	5.7
81.07064	10.5
83.01104	2.2
83.04984	2.6
83.08607	4.4
85.02914	13.9
86.09711	2.2
91.03965	8.6
91.05505	7.9
93.07067	10.6
95.04959	3.0
95.08596	11.1
97.02904	9.9
97.06564	3.1
97.10153	2.0
101.02403	2.7
105.07020	7.3
107.08611	8.9
109.10170	7.0
118.69373	2.2
118.96060	1.9
119.08617	6.8
121.10153	5.8
127.03948	5.3
129.05478	4.5
131.08600	2.8
133.10136	5.7
135.11728	7.9
137.09602	2.9
145.10147	3.6
147.11725	3.7
149.02367	3.3
149.13219	3.4
154.47847	2.0
175.14812	4.5
184.07370	6.8
185.04268	7.0
189.16376	4.7
191.17952	1.8
201.03661	3.7
217.15889	2.5
221.11522	3.0
230.40118	2.1
235.16907	2.8
243.08527	6.7
261.14856	2.7
301.08868	10.9
315.10336	11.2
317.08685	1.9
327.10800	2.9
331.18875	4.1
333.16925	2.7
369.15393	6.6
371.16647	14.1
373.11075	6.1
383.16357	2.1
389.23050	5.1
425.21616	10.6
425.34222	2.6
429.17294	6.6
439.19351	21.0
443.19037	4.9
443.28159	2.5
469.20364	5.9
471.22104	8.3
471.34827	22.9
472.35068	15.2
483.22180	2.9
485.23709	2.6
489.28198	4.4
497.23727	8.9
499.24878	2.3
511.21527	23.0
525.23096	8.9
528.31268	3.1
534.20886	2.6
543.21820	2.6
545.31476	12.0
546.31543	9.7
553.29419	8.4
567.27802	12.5
577.59698	2.3
579.31317	3.9
581.28351	2.0
593.32568	5.9
594.33649	7.0
613.32397	2.4
621.31476	2.2
622.33264	34.9
626.32281	3.4
651.33441	2.3
654.32617	10.6
691.33020	3.7
693.34583	5.5
733.41364	95.2
734.41583	3.5
759.38824	2.5
761.40997	9.8
779.41565	100.0
780.41315	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
55.05504	3.6
55.40477	1.6
57.03425	4.7
61.02928	10.4
64.28601	1.6
67.05505	8.6
69.03429	4.9
69.07047	2.7
69.53300	11.0
71.04993	1.7
73.02905	6.4
79.05515	4.0
81.03403	4.0
81.07063	7.8
83.05005	2.5
83.08618	3.2
85.02901	9.4
91.03960	7.4
91.05470	5.0
91.37349	1.6
93.07055	7.1
95.08605	3.4
97.02882	8.0
99.04452	2.5
101.02392	3.2
105.07080	3.4
107.08578	3.1
109.10162	2.0
111.08130	1.5
113.09610	1.9
119.08575	2.6
121.10147	2.1
127.03895	4.1
129.05460	4.0
133.10205	1.7
135.11693	4.0
145.04904	1.9
156.04013	2.0
159.05263	1.8
184.07405	1.9
185.04254	8.3
185.11819	1.5
186.72589	1.6
195.13744	2.0
201.03702	2.3
243.08449	5.8
261.14658	2.0
301.08932	16.9
315.10651	7.1
327.10504	1.7
357.15326	2.9
369.15314	3.5
371.16873	6.9
373.11072	9.0
377.37598	1.9
385.18396	6.9
387.12723	2.7
413.17642	2.9
415.15836	2.0
425.21384	5.4
429.17487	6.0
439.19525	11.1
443.19098	2.8
453.20911	14.8
457.29739	2.5
469.20465	4.9
481.20520	6.5
483.22150	3.5
485.19849	1.9
495.21939	3.4
497.23666	3.6
511.21835	7.2
525.23199	4.8
535.28583	4.1
545.56689	1.7
553.22272	4.2
567.31506	100.0
568.31775	1.8
579.31323	4.0
593.33441	1.8
594.33337	2.0
603.65338	1.7
609.29089	2.7
621.32483	4.6
622.33026	12.2
625.31409	2.0
635.33417	5.1
651.33551	22.4
654.32153	3.2
664.33649	2.6
677.38715	2.1
693.34546	14.5
733.41388	42.5
761.40363	6.9
777.40839	10.7
779.41754	89.9
780.41541	2.2
806.28564	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05505	1.0
57.03434	1.5
61.02936	5.0
67.05511	4.5
69.03426	2.7
69.07074	0.8
69.47880	1.8
71.01368	0.3
71.04993	0.9
73.01134	0.3
73.02923	3.0
77.03989	0.3
79.05501	2.5
81.03426	2.7
81.07065	3.9
83.04996	0.3
83.08622	0.8
85.02916	4.2
86.09736	0.3
87.04463	0.4
91.03967	3.1
91.05486	2.4
93.07052	3.1
95.04991	0.8
95.08618	2.8
97.02898	4.3
97.06562	0.3
99.04500	0.9
101.02380	1.5
105.07066	1.2
107.08589	1.4
109.02882	0.6
109.06542	0.4
109.10149	1.3
119.08587	0.9
121.10166	2.2
123.11745	0.5
127.03926	1.3
129.06931	0.3
131.08609	1.1
133.10173	0.8
135.11734	0.8
145.10217	0.3
147.11711	0.6
149.09685	0.9
149.13301	0.5
157.10091	0.4
162.35052	0.3
175.11232	0.5
184.07373	0.4
185.04266	0.8
193.12225	0.6
203.05328	0.4
218.80571	0.3
225.14902	0.4
228.84853	0.3
233.11752	0.4
243.08395	2.1
261.22198	0.4
269.98083	0.3
283.15179	5.1
283.17999	0.5
335.25769	0.8
339.17883	0.6
373.30667	0.3
413.37897	0.3
501.23074	6.0
519.29333	7.1
519.37067	0.3
779.45544	100.0
780.45929	4.3
790.07465	0.3
812.06317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03437	1.3
61.02931	5.4
67.05512	6.6
67.05848	0.9
69.03434	2.9
69.07069	1.0
71.04404	0.5
71.53091	0.7
73.02915	4.8
75.33323	0.4
79.05516	2.9
81.03430	1.9
81.07053	3.7
83.04984	0.5
83.08662	0.7
85.02911	5.7
86.09698	1.3
91.03933	3.5
91.05476	2.1
93.07048	3.5
95.04978	0.7
95.08614	3.1
97.02892	4.4
99.04475	0.8
101.02384	1.7
103.03978	0.8
105.07047	1.2
107.08606	1.7
109.02892	0.8
109.10146	4.5
119.08613	1.0
121.10168	2.3
124.99999	0.9
125.56389	0.5
127.03912	1.8
128.04706	0.5
131.08640	1.0
133.10133	0.8
135.11661	0.6
147.11684	0.7
163.11185	0.7
173.11757	0.9
175.56601	0.5
184.07394	4.4
185.04167	1.3
195.09999	1.3
229.14381	0.7
243.08488	1.9
335.25867	0.9
405.94748	0.5
413.17871	6.3
491.19202	0.6
519.29395	10.3
557.79407	0.6
562.41687	0.6
581.49518	0.8
691.40295	100.0
692.40906	3.3
717.42261	0.8
735.42529	1.0
763.41766	1.1
781.42755	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05503	1.1
56.67994	0.4
57.03428	1.8
60.73264	0.4
60.88231	0.4
61.02923	4.5
61.06302	0.4
67.05505	6.2
68.65004	0.4
69.03439	3.3
69.07071	0.9
71.04975	0.8
71.54009	0.5
73.02918	4.3
79.05505	2.9
81.03423	1.7
81.07057	4.8
83.08644	0.9
85.02908	5.0
86.09719	0.8
91.03957	3.8
91.05489	1.7
92.43938	0.4
93.07042	3.4
94.76649	0.4
95.08598	3.4
97.02898	4.9
99.04404	0.6
101.02380	1.9
105.07016	0.8
107.08591	1.3
109.02879	1.1
109.10159	4.3
115.03960	0.6
117.07056	0.9
117.73905	0.5
119.08579	1.2
121.10174	1.3
123.11708	0.4
127.03916	1.8
131.08574	0.8
133.10167	0.6
135.11725	1.1
142.26654	0.6
145.10124	0.6
173.11774	1.5
184.07323	2.7
185.04263	0.9
186.79172	0.4
195.10011	1.3
208.91483	0.5
229.14499	0.8
243.08356	2.0
261.22214	0.5
335.26038	1.5
338.88269	0.5
413.17834	5.5
519.29260	10.6
640.33484	0.5
691.40271	100.0
692.40527	3.9
735.42389	0.7
763.42365	0.6
781.42975	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	781.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
57.03448	1.3
57.30288	0.3
61.02931	4.3
63.34595	0.3
67.05507	6.4
67.05836	0.5
69.03429	3.1
69.07079	0.9
71.53141	0.6
73.02924	3.0
79.05491	2.2
80.90274	0.3
81.03437	1.5
81.07074	3.7
83.05000	0.4
83.08658	0.4
85.02903	5.1
87.04507	0.5
91.03957	3.7
91.05500	1.5
93.07062	2.5
95.04993	0.4
95.08614	3.2
97.02890	3.5
99.04491	1.1
101.02414	1.2
105.07054	1.0
107.00828	0.3
107.08629	1.0
109.02874	0.6
109.10162	4.2
111.26273	0.3
115.03950	0.6
119.08627	1.3
121.10190	0.9
123.11722	0.4
127.03951	1.5
131.08588	0.7
133.10115	0.5
135.11751	1.0
135.77809	0.4
145.05089	0.6
149.13339	0.7
156.66153	0.4
169.63931	0.4
173.11856	1.2
173.13278	0.5
184.07384	1.8
185.04233	0.4
195.10046	0.7
201.10088	0.4
229.14368	0.6
243.08490	2.0
261.22293	0.5
262.90659	0.3
335.26019	1.1
413.17868	6.2
519.29285	6.5
691.40289	100.0
692.40387	4.1
695.33130	0.8
717.41663	2.6
755.68970	0.4
763.42206	1.0
781.42212	16.0
782.43225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2341
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01852	0.1
55.05516	1.1
57.03446	1.4
59.04986	0.2
61.02927	1.6
62.06608	0.1
65.03951	0.2
67.05518	0.2
68.99799	0.4
69.03432	9.1
69.86134	0.6
71.01366	0.5
71.01682	0.1
71.04996	7.8
73.02917	1.2
75.04466	0.4
81.03414	0.3
83.04982	6.3
85.02907	11.2
87.04481	0.9
91.03968	0.7
95.04969	1.1
97.02897	0.7
99.04459	0.7
101.05984	0.2
103.27715	0.1
105.03360	0.2
107.04965	0.4
107.08607	0.1
109.02874	0.4
111.00792	0.3
111.04448	5.9
113.06004	0.8
117.05470	0.6
121.02865	1.6
121.06483	0.2
123.04415	0.2
127.03907	0.6
129.05486	8.1
133.02861	0.4
135.04445	0.1
137.02345	0.5
145.04910	0.2
147.04433	0.3
147.06500	0.9
153.01854	2.0
153.05463	1.1
157.05019	0.2
157.06474	0.3
159.06468	0.1
161.05972	0.1
163.06070	0.7
165.01862	1.3
171.06519	0.3
173.08127	0.9
183.02913	0.7
185.05969	0.4
187.05992	0.2
189.07587	5.0
193.08385	0.1
194.92317	0.1
195.06532	0.2
205.07123	0.3
213.05446	0.8
221.08134	0.1
229.04933	0.1
231.06496	0.6
231.08531	0.3
239.09207	0.7
241.04961	0.9
243.06577	0.1
257.10217	0.3
258.05261	0.7
259.06186	0.5
269.04324	0.1
287.05499	100.0
288.05826	1.5
299.05484	0.4
299.11374	0.2
311.05457	0.1
317.12503	0.7
325.27771	0.1
329.06613	0.7
335.13327	0.2
353.06610	0.3
358.25528	0.1
379.08255	0.2
397.09119	0.4
433.11191	0.4
449.10684	1.0
475.11954	0.1
752.17517	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	783.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05271	0.9
55.05517	14.2
55.12249	0.7
57.03438	8.6
61.02925	1.8
64.12366	0.7
65.03941	2.7
67.05506	22.7
69.03434	27.2
69.07067	7.3
69.42711	4.5
71.01358	1.1
71.04997	8.6
73.02908	2.0
79.05496	23.4
81.03422	100.0
81.07060	25.5
83.04990	18.9
83.08620	16.3
85.02908	20.0
85.06532	1.6
91.05487	28.6
93.07052	17.7
94.77440	0.6
95.04977	21.1
95.08608	10.0
97.02893	27.6
97.06547	6.0
97.10162	4.4
99.04463	8.8
99.08089	1.7
101.02382	1.2
103.03949	1.3
103.05472	1.3
105.04547	1.0
105.07032	22.6
107.04964	7.8
107.08605	8.6
109.02888	21.4
109.06530	3.9
109.10163	4.9
111.04449	13.3
111.08105	7.8
113.02345	0.7
113.06020	1.6
115.05463	2.9
116.06325	0.8
117.07021	4.5
119.04917	3.5
119.08591	16.9
121.02869	1.3
121.06512	4.9
121.10158	10.5
123.04404	3.7
123.08085	3.0
123.11723	4.4
125.02383	0.7
125.05985	0.8
125.09646	2.2
127.03929	19.2
127.07542	0.7
128.06241	1.6
129.05522	4.7
129.07004	9.6
131.04927	1.9
131.08578	12.6
133.06477	3.2
133.10141	10.5
135.04477	2.5
135.08064	1.8
135.11722	2.7
137.05998	2.2
137.09612	2.4
139.03935	1.4
141.06975	1.3
142.07819	1.9
143.08568	3.0
145.04991	1.5
145.06520	3.1
145.10107	3.2
147.04413	10.0
147.08073	3.2
147.11690	15.1
148.11974	0.8
149.06033	1.7
149.09621	5.2
151.03867	0.8
151.07585	1.1
151.11160	0.9
153.12788	2.8
155.08565	1.4
157.06561	1.4
157.10141	12.3
159.08107	1.5
159.11707	1.6
161.05997	1.2
161.09633	1.7
163.07603	1.0
163.11188	4.8
165.05461	1.4
165.09148	0.7
165.12761	4.5
167.07239	0.7
167.08611	1.8
171.08054	1.7
171.11768	1.9
173.04498	10.1
173.05887	1.1
173.09656	1.6
175.07571	1.0
175.11191	12.4
177.05495	0.9
177.12744	1.6
181.12202	3.3
183.06534	1.7
183.11655	0.9
185.09622	1.2
185.13315	1.2
187.07626	0.9
189.07619	1.6
189.09149	0.8
189.11278	1.4
189.12794	1.7
191.10738	2.9
193.05109	0.7
193.12257	30.3
203.07091	0.9
205.12262	0.8
207.13899	0.8
209.11742	0.9
211.13295	47.5
213.12802	1.4
213.14821	0.8
223.13184	1.1
225.12790	0.8
227.12648	5.8
229.12450	0.9
229.14310	3.7
235.13326	1.8
243.13844	0.9
245.15311	1.0
247.13474	1.2
249.14952	2.5
253.07224	2.6
255.13795	1.4
259.13351	1.6
259.34344	0.8
267.09177	2.0
267.15897	15.2
267.18488	1.1
271.08203	1.1
273.14932	3.6
277.14420	1.8
283.15598	2.8
285.10156	2.1
285.16995	10.3
287.05450	3.7
289.14444	0.9
291.15924	1.2
301.14264	5.4
309.17145	1.6
313.16483	0.9
319.15561	3.7
324.11478	1.0
337.16547	4.7
355.17468	5.4
367.22443	0.8
375.18097	2.5
393.19003	4.1
411.20181	7.7
429.21420	4.8
438.18381	2.5
438.68472	1.3
449.28836	0.9
459.27356	6.9
459.33456	1.1
475.25745	0.8
477.28415	6.0
481.20303	1.1
495.29471	4.6
499.21500	1.2
567.29584	0.9
585.30579	2.9
603.31567	3.9
621.32855	11.5
639.33844	5.9
683.33765	1.0
692.78845	0.9
729.34650	1.1
747.35541	1.9
765.36774	5.4
783.38025	26.2
784.38428	1.5
799.88684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
56.05035	0.5
65.84422	0.4
67.05517	0.9
67.53905	0.4
69.07061	0.7
69.51066	0.9
69.51466	2.4
71.08625	1.0
79.05469	0.8
81.07059	0.7
86.09715	100.0
87.10030	0.6
91.05492	0.5
93.07065	1.2
95.08613	0.8
97.06549	0.5
98.09699	1.4
103.05501	1.1
105.07069	1.9
107.08553	0.7
112.11259	6.7
117.07007	0.7
119.08575	0.5
120.08118	39.6
132.08183	0.5
146.09660	1.9
152.61638	0.4
154.15923	17.7
157.13387	10.5
166.15955	0.6
167.11833	0.4
169.16846	0.4
170.65935	0.4
184.07344	0.5
185.11180	0.7
185.12872	13.9
188.14362	7.8
191.11909	0.5
199.18080	17.7
209.16553	0.9
219.11336	1.0
225.19632	6.5
227.15608	0.3
227.17569	13.9
233.16508	14.9
233.18858	0.7
243.14890	0.7
249.64278	0.4
253.14503	0.4
253.19145	6.7
255.17120	0.4
259.18155	2.0
261.16013	13.9
261.82266	0.5
262.16376	0.4
267.24329	7.6
270.21771	0.5
273.73538	0.4
277.22839	0.6
287.17596	2.9
295.23865	5.4
298.21292	7.7
301.22791	7.1
309.82697	0.5
329.22250	3.9
332.19681	6.4
340.25967	3.2
344.08014	0.4
356.23557	0.6
366.27713	2.0
372.23798	0.4
374.24368	4.1
383.30237	1.1
384.22849	0.5
400.26044	3.2
408.32327	0.6
411.29681	4.0
417.28476	1.3
442.30801	2.3
445.28149	4.7
453.34332	0.5
459.33408	1.1
479.35831	2.0
487.32932	2.5
496.38480	0.8
513.34222	3.5
524.38116	4.7
530.17932	0.4
530.36945	2.0
555.39240	1.8
558.36560	9.5
559.36859	0.5
572.41656	1.2
587.36212	0.6
592.44177	1.6
600.41272	1.3
626.42786	5.7
637.46356	2.7
643.45386	5.0
653.43994	0.8
668.47449	1.0
671.45032	17.7
672.45575	0.7
699.44708	0.5
711.50592	0.5
713.49072	0.6
739.51276	3.7
756.53833	8.5
757.53687	0.6
766.52740	2.5
784.53522	12.5
796.68219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49129	0.3
69.03429	0.7
69.88830	1.2
80.23663	0.2
81.03410	1.0
85.02903	0.5
91.05499	0.4
97.02894	0.4
98.97662	0.2
99.04446	0.4
103.05467	0.9
109.02871	1.0
118.18504	0.2
119.04961	0.5
121.58405	0.3
127.03939	1.3
129.03377	0.4
131.04913	0.7
143.75732	0.3
147.04425	1.1
153.01819	0.5
157.02872	0.9
157.87604	0.2
159.04466	0.5
163.03931	0.5
173.02390	0.7
175.03911	1.8
185.02307	1.3
187.03926	4.4
191.03442	0.5
201.01871	0.8
203.03450	3.7
213.01855	3.1
215.03395	3.9
219.02971	0.4
229.01219	0.6
230.02042	0.4
231.02896	18.0
241.01335	3.7
247.02409	1.5
257.00925	1.2
259.02402	34.4
260.02850	0.7
275.01904	1.6
276.02682	1.1
277.03448	100.0
278.03754	1.3
285.00308	0.8
289.03381	0.7
297.03976	0.3
301.03467	0.3
302.00577	0.4
303.01361	15.9
304.01764	0.4
313.03558	0.4
315.01428	0.5
315.04852	0.3
317.02594	0.3
321.02493	1.6
328.99155	0.6
329.03000	0.4
339.04944	0.3
345.02472	1.3
355.04523	0.6
357.06027	0.6
367.04456	0.5
383.04041	0.5
385.05563	0.9
393.02246	0.3
401.05179	0.6
411.03519	1.0
429.04276	1.7
447.05518	1.0
465.06772	0.8
785.08136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	17.8
57.03437	15.5
57.07077	31.0
65.03942	3.2
67.05518	31.1
69.07068	11.3
69.48405	22.1
71.08633	29.1
75.98268	2.7
79.05497	27.5
81.07052	48.9
83.04958	2.6
83.08614	11.3
83.58617	2.5
85.02878	2.9
85.06557	5.2
85.10184	14.1
86.09711	5.3
91.05497	30.0
93.07050	31.2
95.08616	41.0
97.10176	4.0
103.74395	2.8
105.07043	25.1
106.20168	2.8
107.08611	20.8
108.13289	2.9
109.06543	4.5
109.10170	17.9
111.08151	2.8
117.07027	7.6
119.08576	18.4
121.10159	18.6
123.11736	6.3
124.99986	4.5
131.08580	14.1
133.10127	22.5
135.11696	13.2
145.10146	8.9
147.11687	13.4
149.13327	4.7
150.87033	2.3
157.10175	4.3
159.11713	8.8
161.13271	9.1
173.13307	5.7
175.14868	2.8
179.14313	4.7
184.07278	13.9
185.07843	3.0
185.13232	5.5
187.14832	5.9
201.16466	4.2
223.25941	2.3
231.21095	3.3
241.19528	10.4
257.24814	2.7
259.20575	24.8
277.21683	22.5
293.21109	6.9
313.27383	100.0
315.23410	3.5
333.24240	21.8
351.25308	40.7
367.22821	2.6
389.00073	3.0
507.40775	3.1
571.46857	4.8
589.48322	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	17.5
55.05267	4.7
55.05516	52.1
57.03434	23.6
59.04984	5.8
61.02916	9.3
65.03949	12.0
67.05179	7.4
67.05509	87.1
69.03429	22.1
69.07072	47.2
71.05017	21.9
71.53274	5.3
73.02913	6.6
79.05499	100.0
79.34064	4.3
81.03008	6.1
81.03426	60.9
81.07063	92.3
83.01376	6.3
83.04993	31.0
83.08630	37.8
85.02908	32.6
85.06532	7.9
91.05490	95.2
93.07044	72.5
95.04983	40.5
95.08626	49.5
97.02887	17.7
97.06536	65.4
97.10163	17.8
99.04450	8.4
99.08108	7.0
103.05447	4.9
105.07039	61.5
107.04977	27.6
107.08605	58.4
108.71011	4.4
109.06540	24.2
109.10172	27.0
110.19518	4.7
111.04462	6.8
111.08060	20.2
113.05990	7.1
115.05430	6.0
115.07560	18.7
117.07014	38.3
119.07820	7.9
119.08591	69.0
121.06489	13.2
121.10160	28.0
123.04440	6.3
123.08049	15.2
125.09616	16.2
129.06990	21.5
131.08577	40.4
133.06503	6.3
133.10104	35.4
135.08075	36.4
135.11707	10.7
137.06042	5.0
137.09648	8.3
137.44936	4.2
141.06987	7.4
143.08537	17.1
145.06479	7.0
145.10164	32.4
147.08054	18.0
147.11678	16.6
149.09639	8.1
151.11194	9.5
157.10129	16.5
159.08080	9.6
159.11742	11.5
161.09554	6.5
163.11182	16.3
171.11626	9.9
173.04486	6.0
173.09615	7.4
175.11172	14.3
179.10612	4.8
181.12263	5.9
189.11230	10.7
191.14365	5.1
193.12314	33.8
202.44083	5.8
209.11694	7.7
211.13318	33.1
227.12781	25.5
245.13756	6.5
253.14270	11.4
263.20068	5.3
267.15836	12.7
269.17377	9.0
271.16818	7.7
273.18457	26.0
283.15421	64.2
285.16940	25.7
289.18015	23.5
291.19629	11.2
307.18988	13.8
347.22421	11.3
363.21851	9.6
365.23029	6.8
381.22705	20.5
443.90970	5.1
477.28308	24.1
515.29761	10.0
555.32953	18.5
573.34131	27.1
591.35138	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	1.9
55.01877	24.7
55.05516	53.9
57.03188	2.3
57.03444	27.7
57.07071	4.8
58.23573	1.1
59.04995	4.8
61.02934	7.9
65.03945	4.1
67.05511	100.0
68.05028	1.4
68.35273	1.4
69.03439	15.9
69.07072	61.5
69.77898	6.9
69.78265	2.7
71.01345	7.5
71.05003	11.5
73.02916	4.4
77.03933	2.2
79.05500	82.2
81.03425	39.4
81.07063	84.8
83.01360	10.6
83.04994	25.9
83.08632	26.5
84.02146	1.4
84.52103	1.3
85.02915	18.1
85.06573	6.8
85.51991	1.3
87.04465	1.4
87.09175	1.5
91.03964	3.2
91.05491	74.4
93.07053	77.1
95.04980	25.4
95.08614	48.2
97.02892	16.2
97.06550	20.5
97.10178	13.1
98.07327	2.9
99.04464	6.2
99.08088	2.0
103.05508	1.8
105.04529	2.5
105.07039	58.2
107.04972	21.2
107.08610	51.4
109.02848	3.5
109.06537	16.8
109.09464	2.6
109.10172	39.4
111.04458	6.2
111.08107	7.8
115.05478	3.5
115.23453	1.4
116.04722	4.2
117.07030	28.2
119.04945	2.4
119.08592	43.6
121.06526	12.2
121.10152	25.9
123.04446	2.5
123.08079	22.5
123.11717	7.0
125.06010	2.3
125.09638	13.7
127.03934	4.5
128.06279	2.7
129.05505	9.6
129.06990	11.4
130.07784	3.1
131.04907	1.8
131.08582	23.7
133.06506	1.8
133.10141	33.4
135.08081	10.4
135.11710	28.7
135.24728	1.4
137.09627	15.3
139.07581	2.2
141.07021	1.6
143.07161	3.3
143.08574	8.0
145.06488	2.1
145.10143	35.3
147.08028	8.5
147.11681	13.2
149.09612	16.4
149.13289	3.2
151.11212	8.1
153.12759	6.0
155.08594	4.2
155.10667	1.7
157.08653	4.5
157.10158	10.4
159.08104	2.3
159.11708	13.9
161.09697	5.2
161.13304	6.2
163.11183	51.1
165.09044	2.2
165.12775	1.9
169.10081	2.6
169.12257	3.2
171.08086	1.8
171.10197	3.7
171.11728	6.3
173.04468	2.1
173.09650	6.7
173.11804	4.7
173.13322	5.0
175.11234	4.6
177.12743	4.7
179.10793	2.0
179.14346	4.7
181.12270	8.0
183.11690	2.5
184.07407	1.4
185.13315	2.4
187.11255	2.0
187.14848	2.6
189.11284	4.3
189.12775	1.5
191.10690	5.8
193.12251	5.7
195.13907	2.2
197.13240	1.7
199.13358	3.3
204.55354	1.4
209.11758	16.7
211.13284	4.1
211.15024	1.6
223.13286	7.3
227.12762	14.0
229.14360	5.9
229.19630	1.6
239.18094	1.9
243.15924	3.9
247.20609	2.2
253.14368	13.5
255.15703	6.5
257.19040	7.5
263.20166	1.8
267.15945	7.5
269.17261	2.8
273.18506	15.4
275.20099	28.6
283.15417	91.0
284.15768	1.9
285.17014	4.7
291.19553	37.6
293.21008	3.4
301.16461	19.0
330.45218	1.4
339.78748	1.4
347.22153	4.5
349.23755	41.5
365.23224	19.4
379.21066	9.6
421.25848	1.5
437.25348	27.6
451.26978	9.0
461.29007	12.1
463.27075	8.0
475.26904	1.4
476.27878	2.5
477.28555	6.3
493.27847	2.4
539.33575	2.2
557.34845	44.3
560.30157	1.6
573.34271	4.6
574.34796	2.4
575.35901	7.6
591.35297	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	788.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01662	1.0
55.01876	9.4
55.05515	27.9
57.03195	1.4
57.03442	15.6
57.07057	1.4
57.63932	1.1
59.05002	7.7
61.02915	2.6
63.51232	1.0
65.03925	1.2
67.05509	34.6
69.03434	6.2
69.07066	8.6
70.47456	2.1
70.47867	1.8
71.05004	6.8
71.88245	1.0
73.02940	1.1
79.05495	35.6
81.03421	55.7
81.07063	40.3
83.01344	5.2
83.04986	21.3
83.08623	26.2
85.02909	23.4
85.06554	2.3
87.04469	6.6
88.45986	0.9
91.03943	1.5
91.05485	38.2
93.06483	1.8
93.07048	32.8
95.04973	24.3
95.08616	15.8
97.02915	7.0
97.06528	7.0
97.10178	11.0
99.04472	5.7
99.08085	1.9
103.03927	1.1
103.05431	1.0
105.04519	1.8
105.06403	1.7
105.07044	23.7
107.04957	12.0
107.08595	20.3
109.06519	8.6
109.10164	14.3
111.04444	10.4
111.08076	11.2
113.06015	1.8
115.05472	2.3
117.07040	9.3
119.04953	1.5
119.07800	1.7
119.08592	23.9
121.06493	3.8
121.10149	15.4
123.08070	9.2
123.11679	1.8
125.05982	1.7
125.09633	9.2
127.07561	1.0
128.06300	1.1
129.07007	8.4
130.07771	1.9
131.08562	10.0
133.06502	3.3
133.10141	12.0
135.08076	7.5
135.11714	11.1
137.09628	4.7
137.13232	1.0
142.07805	2.5
143.08566	2.7
143.10655	2.3
145.06471	2.7
145.10133	15.1
147.08018	4.4
147.11693	12.4
149.09619	6.9
151.11142	1.0
153.09050	1.3
153.12756	5.3
153.13826	0.9
155.08482	1.8
156.31381	1.0
157.10112	13.1
159.08032	5.0
159.11722	1.4
161.09631	2.1
163.07518	1.8
163.11192	22.9
165.12793	3.1
169.10155	1.2
173.09587	3.3
173.11739	2.8
175.11185	12.8
181.12234	4.9
189.11229	2.8
191.10645	2.8
193.12250	29.9
199.13356	2.4
201.16350	1.1
209.11728	9.3
211.13292	40.1
213.84752	1.1
227.12761	11.4
229.14355	6.9
261.18607	1.1
267.15958	16.5
267.18692	2.0
271.16907	3.2
283.15427	26.2
285.16980	42.4
289.17953	11.9
307.19107	6.3
345.20532	1.6
363.21545	6.4
371.24368	1.5
381.22684	22.1
383.24222	1.9
452.23254	1.2
457.25589	3.4
475.26920	25.5
493.27982	100.0
494.28183	3.4
555.33051	8.1
573.34296	16.6
591.35303	28.9
625.16431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.7
55.05265	1.2
55.05516	17.3
57.03439	8.9
57.07082	2.0
59.04993	0.7
61.02924	1.5
63.02402	1.0
65.03940	3.4
67.05510	37.5
69.03437	4.4
69.06723	1.2
69.07073	17.8
69.93455	1.4
69.93853	2.0
71.01355	0.8
71.05003	3.4
73.02908	1.7
79.05498	27.5
80.36913	0.7
81.03424	35.4
81.07065	42.9
82.04198	1.2
83.04992	9.3
83.08631	10.5
85.02926	3.0
85.06548	3.0
86.09708	1.0
91.05486	46.9
93.07053	26.7
95.01333	3.3
95.04972	18.4
95.08611	18.6
96.05256	0.9
97.02914	4.0
97.06541	13.3
97.10184	5.3
98.07305	1.0
99.04481	2.2
99.08125	1.0
99.28631	0.7
103.05457	0.9
105.04559	0.7
105.07042	47.3
106.07372	0.7
107.04974	13.4
107.08605	23.5
109.02879	1.0
109.06521	6.7
109.10165	23.6
111.04460	2.3
111.08084	4.0
113.06017	1.9
115.05426	2.2
116.04742	1.3
117.07012	8.6
119.04955	1.8
119.08591	23.4
121.06512	6.4
121.10153	8.6
123.04466	1.9
123.08081	5.3
123.11719	4.6
125.09644	5.1
127.07567	2.0
128.06247	1.3
129.05518	4.6
129.07002	7.8
131.08575	17.0
133.06529	4.3
133.10144	45.2
135.08041	4.3
135.11697	6.4
137.09653	2.3
139.07535	1.4
142.07816	1.4
143.07086	1.1
143.08551	3.3
145.06459	1.7
145.10144	10.0
147.08067	3.3
147.11687	10.2
147.15189	0.7
149.09636	8.1
149.13309	2.1
151.07501	0.8
151.11203	13.9
155.08527	1.0
157.08632	2.0
157.10161	8.0
159.08105	1.0
159.11705	5.2
161.09624	2.1
161.13272	2.8
163.11179	4.6
165.09119	1.5
165.12744	1.4
169.10147	1.2
169.12286	1.6
171.06461	0.8
171.10194	0.8
171.11691	2.0
173.09647	1.5
173.11792	0.8
173.13226	1.3
175.11176	5.2
177.12843	2.3
179.10722	0.9
179.14299	4.0
184.07384	2.5
185.13342	1.5
187.11269	1.5
187.14828	0.7
189.11259	1.2
189.12805	1.6
191.10808	1.3
193.12277	8.6
197.08308	0.9
199.13327	1.9
203.14297	0.7
205.12262	1.2
207.13899	0.7
209.11758	2.4
211.13344	3.3
211.23666	0.8
213.16309	0.8
215.12714	1.7
219.13826	1.4
219.17474	1.7
227.12894	2.3
227.17952	0.8
229.14365	1.0
245.19046	1.6
247.20599	1.6
251.12770	0.9
253.14362	37.0
257.19006	2.1
263.20090	1.4
267.15936	37.0
271.15491	2.4
273.18552	9.3
275.20093	20.8
283.15564	1.9
285.17160	2.4
291.19562	11.3
293.21204	1.4
301.16531	11.2
347.22330	2.4
349.23773	16.0
365.23276	9.6
395.25058	0.7
461.29037	1.0
475.27057	0.8
497.27512	3.1
541.35303	100.0
542.35718	3.3
557.34753	0.9
559.36285	3.1
573.34479	2.4
583.35699	1.2
591.35229	14.6
629.48041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
57.07067	0.3
58.06608	0.5
60.07880	0.5
60.08162	5.9
63.51919	0.3
67.05492	0.8
71.07381	3.3
79.05486	0.4
81.07016	0.4
86.09708	27.1
91.05465	0.3
93.51756	0.3
95.08566	0.3
98.98453	2.8
104.10745	2.8
106.72699	0.3
109.10139	0.4
115.11455	0.2
120.47924	0.3
125.00009	18.6
177.79070	0.3
184.07344	100.0
185.07732	1.5
185.23523	0.3
186.07793	0.5
442.16873	0.3
496.34332	0.3
500.63907	0.3
561.37439	0.6
562.37952	2.4
563.39197	0.4
676.45990	0.4
690.47382	1.6
770.52802	1.1
788.41077	0.3
788.54248	5.2
789.40308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
56.05261	0.1
58.06624	0.5
59.07406	0.2
60.08166	6.6
61.73410	0.1
67.05492	0.4
67.28405	0.1
67.31686	0.1
69.31629	0.6
69.32054	0.5
71.07375	3.8
81.07053	0.2
81.13075	0.1
81.41485	0.1
85.10162	0.2
85.48168	0.1
86.09709	31.8
87.10024	0.2
93.07037	0.2
95.08624	0.3
96.04067	0.1
98.98470	3.4
103.51344	0.1
104.10743	2.9
121.10161	0.1
125.00011	21.3
127.47905	0.1
136.06197	0.5
143.01082	0.2
145.10121	0.2
166.02687	0.3
179.60770	0.1
184.07347	100.0
185.07736	0.5
496.33865	0.2
562.37976	0.5
676.46021	0.2
690.47156	1.1
730.50189	0.2
757.39532	0.2
770.53314	1.3
788.54352	4.7
789.54736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05515	5.0
55.38208	0.5
57.03445	3.1
57.07079	1.8
61.02927	3.9
67.05518	10.5
69.03434	14.0
69.07077	12.3
70.35470	0.6
71.01364	3.0
71.05004	3.2
71.53709	0.6
71.54106	0.9
73.02924	8.4
79.05498	9.2
81.03429	20.8
81.07066	28.4
83.01347	0.9
83.04980	0.7
83.08642	5.3
85.02915	31.3
85.03442	1.5
87.04475	1.8
91.05480	9.4
93.07054	19.2
95.01338	8.8
95.04993	1.7
95.08616	32.3
96.08994	0.6
97.02902	92.7
97.10186	1.8
98.03175	0.6
99.00822	1.0
99.04462	8.2
101.02373	0.9
103.03931	0.9
103.05493	0.9
105.07043	16.1
107.08607	30.2
109.02901	10.2
109.06519	1.1
109.10175	16.6
111.11726	1.0
113.02372	4.0
115.03946	2.2
115.05468	0.6
117.07024	3.7
119.07931	0.5
119.08594	19.4
121.10150	18.5
123.11724	6.7
127.03926	32.2
128.06219	1.2
128.80330	0.6
129.07053	2.5
130.07791	1.0
131.03427	1.8
131.08589	11.8
133.05008	2.9
133.10143	16.4
135.11725	11.1
137.09613	0.8
137.13260	7.6
141.01849	19.5
141.06990	1.5
142.07823	1.5
143.08589	7.4
144.09244	0.6
145.04988	2.7
145.10141	18.8
147.11703	23.2
148.11966	0.6
149.13268	27.8
151.14867	1.2
155.08609	1.9
156.09381	1.1
157.10158	9.3
158.10962	1.2
159.02896	3.4
159.11710	13.2
159.88013	0.6
161.13274	8.3
163.14839	43.5
165.16426	0.8
169.10149	3.8
171.11693	7.1
172.12396	1.3
173.13284	9.4
175.14841	13.9
175.16270	1.1
177.16414	13.3
182.10898	0.9
183.11725	4.5
184.12558	1.2
185.13280	6.0
186.14069	0.8
187.06039	47.8
187.14847	26.8
189.16403	21.3
191.17964	5.0
195.11700	0.7
197.13287	3.5
198.14236	0.8
199.14859	8.2
201.16405	15.1
203.14342	0.7
203.17978	13.3
203.19760	1.0
205.07091	16.3
205.19615	0.9
209.13257	0.9
210.14149	0.6
211.14854	3.1
213.16431	10.2
215.17973	17.4
217.19624	3.5
225.16382	4.7
227.17938	9.2
227.20064	0.8
228.18634	0.8
229.19518	10.5
231.21182	0.9
237.16330	1.3
239.17938	5.5
241.19508	12.0
243.21155	6.1
253.19542	11.4
255.21118	23.3
257.22662	4.1
267.21106	11.9
269.22699	8.0
281.22754	3.6
283.23990	0.8
285.22211	1.1
293.22641	1.3
295.24298	2.9
307.24222	2.0
309.25735	0.8
321.25797	1.4
335.27426	1.3
348.28418	1.1
349.29022	0.9
363.09183	1.0
391.33615	100.0
392.34039	2.5
409.34668	16.1
436.16742	0.8
585.38068	2.3
665.31287	1.7
774.54822	0.7
789.44312	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	789.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05515	5.0
55.38208	0.5
57.03445	3.1
57.07079	1.8
61.02927	3.9
67.05518	10.5
69.03434	14.0
69.07077	12.3
70.35470	0.6
71.01364	3.0
71.05004	3.2
71.53709	0.6
71.54106	0.9
73.02924	8.4
79.05498	9.2
81.03429	20.8
81.07066	28.4
83.01347	0.9
83.04980	0.7
83.08642	5.3
85.02915	31.3
85.03442	1.5
87.04475	1.8
91.05480	9.4
93.07054	19.2
95.01338	8.8
95.04993	1.7
95.08616	32.3
96.08994	0.6
97.02902	92.7
97.10186	1.8
98.03175	0.6
99.00822	1.0
99.04462	8.2
101.02373	0.9
103.03931	0.9
103.05493	0.9
105.07043	16.1
107.08607	30.2
109.02901	10.2
109.06519	1.1
109.10175	16.6
111.11726	1.0
113.02372	4.0
115.03946	2.2
115.05468	0.6
117.07024	3.7
119.07931	0.5
119.08594	19.4
121.10150	18.5
123.11724	6.7
127.03926	32.2
128.06219	1.2
128.80330	0.6
129.07053	2.5
130.07791	1.0
131.03427	1.8
131.08589	11.8
133.05008	2.9
133.10143	16.4
135.11725	11.1
137.09613	0.8
137.13260	7.6
141.01849	19.5
141.06990	1.5
142.07823	1.5
143.08589	7.4
144.09244	0.6
145.04988	2.7
145.10141	18.8
147.11703	23.2
148.11966	0.6
149.13268	27.8
151.14867	1.2
155.08609	1.9
156.09381	1.1
157.10158	9.3
158.10962	1.2
159.02896	3.4
159.11710	13.2
159.88013	0.6
161.13274	8.3
163.14839	43.5
165.16426	0.8
169.10149	3.8
171.11693	7.1
172.12396	1.3
173.13284	9.4
175.14841	13.9
175.16270	1.1
177.16414	13.3
182.10898	0.9
183.11725	4.5
184.12558	1.2
185.13280	6.0
186.14069	0.8
187.06039	47.8
187.14847	26.8
189.16403	21.3
191.17964	5.0
195.11700	0.7
197.13287	3.5
198.14236	0.8
199.14859	8.2
201.16405	15.1
203.14342	0.7
203.17978	13.3
203.19760	1.0
205.07091	16.3
205.19615	0.9
209.13257	0.9
210.14149	0.6
211.14854	3.1
213.16431	10.2
215.17973	17.4
217.19624	3.5
225.16382	4.7
227.17938	9.2
227.20064	0.8
228.18634	0.8
229.19518	10.5
231.21182	0.9
237.16330	1.3
239.17938	5.5
241.19508	12.0
243.21155	6.1
253.19542	11.4
255.21118	23.3
257.22662	4.1
267.21106	11.9
269.22699	8.0
281.22754	3.6
283.23990	0.8
285.22211	1.1
293.22641	1.3
295.24298	2.9
307.24222	2.0
309.25735	0.8
321.25797	1.4
335.27426	1.3
348.28418	1.1
349.29022	0.9
363.09183	1.0
391.33615	100.0
392.34039	2.5
409.34668	16.1
436.16742	0.8
585.38068	2.3
665.31287	1.7
774.54822	0.7
789.44312	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	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	14.2
55.05265	2.9
55.05512	35.0
57.03439	36.3
57.07062	2.6
59.04994	3.6
59.35696	1.7
61.02920	5.5
65.03947	3.8
67.05507	87.9
69.03430	20.4
69.07070	61.0
69.22208	5.0
69.22623	11.0
71.04992	29.6
73.02920	8.0
79.05494	89.6
81.02928	1.9
81.03421	84.2
81.07058	98.3
83.01333	2.2
83.04987	28.3
83.08619	30.4
85.02908	37.6
85.06554	8.3
86.09756	1.9
87.04471	2.3
91.03960	2.9
91.05482	81.5
93.07047	81.2
95.04976	42.2
95.07990	1.9
95.08605	40.8
97.02905	16.2
97.06531	100.0
97.10177	10.2
99.04463	7.1
99.08093	13.1
103.03977	1.6
103.05453	3.7
105.07034	66.1
107.04958	17.9
107.08602	43.3
109.02888	6.0
109.06523	27.0
109.10165	19.5
111.04462	7.2
111.08084	21.6
113.06010	5.1
115.05445	5.4
115.07574	27.1
117.07016	24.3
119.08581	44.6
119.09209	1.3
121.06511	13.2
121.10146	28.1
123.04424	1.8
123.08073	10.1
123.11698	4.1
125.06023	1.9
125.09619	8.8
127.03925	7.8
127.07521	3.5
128.06270	3.2
129.05460	3.6
129.07005	22.4
131.04849	2.3
131.08565	39.8
133.06493	10.2
133.10130	39.0
135.08093	14.1
135.11688	12.8
137.09616	6.6
141.07054	2.7
142.07813	5.2
143.08557	11.9
145.06479	4.2
145.10138	22.3
147.08069	14.1
147.11690	23.0
149.09627	16.9
149.13261	12.2
151.11191	5.5
153.12784	2.1
155.08568	3.8
157.10144	26.6
159.08052	3.2
159.11710	15.4
161.09637	9.8
161.13225	2.7
163.11179	13.2
165.12820	4.5
169.10175	5.2
171.10332	2.0
171.11688	7.6
173.04503	6.9
173.09631	4.5
173.11836	2.3
173.13303	3.9
175.11205	23.7
177.12753	7.6
181.12320	2.6
183.11693	3.7
184.07346	2.7
185.13293	4.8
187.11234	2.6
189.11227	4.1
189.12794	2.2
189.16409	2.0
190.77130	1.8
191.10733	3.2
193.12245	41.8
193.13873	3.0
195.13812	4.9
199.14864	2.1
201.07605	3.1
203.14305	2.3
205.12215	2.1
209.11662	3.1
211.13300	75.5
211.15302	3.9
217.15958	9.5
221.13434	2.6
221.15466	2.5
227.12764	9.2
227.17990	3.1
229.14391	5.9
233.15434	4.8
235.16974	1.9
237.16437	3.5
245.19102	5.0
251.16507	2.4
253.14218	4.4
255.17564	4.9
257.18967	2.6
262.19366	2.1
267.15900	28.1
269.17490	26.6
273.18494	44.4
275.20059	8.9
283.15366	25.3
285.16949	67.8
289.18039	2.8
291.19495	23.4
307.19043	4.1
313.21506	2.4
329.21106	4.2
347.22198	18.3
349.23758	5.0
365.23358	17.7
367.24548	2.8
437.25571	10.0
443.27737	2.4
447.27377	2.8
461.29044	16.8
465.29178	4.9
477.28467	21.3
479.30112	35.5
483.31110	2.7
499.30377	3.6
505.31552	2.5
507.29758	2.8
517.31561	3.5
533.31030	2.2
539.33453	5.9
557.34882	31.2
575.35748	30.8
593.37091	14.5
790.45331	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	790.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.0
55.05267	2.8
55.05516	34.4
57.03444	20.4
57.07076	4.1
59.04990	1.8
61.02927	8.9
65.03948	5.3
67.05511	95.8
68.05882	1.3
69.03439	13.2
69.07075	32.1
70.77492	2.9
70.77805	2.3
71.04995	17.9
71.08633	3.2
73.02917	6.4
74.98371	1.3
77.03916	1.9
78.56824	1.5
79.05501	76.4
80.05852	1.9
81.03429	33.3
81.07063	100.0
82.04197	2.7
82.07408	2.9
83.01338	1.8
83.04987	22.9
83.08624	21.7
84.81418	1.7
85.02905	13.3
85.06550	6.8
86.09731	1.7
87.04522	1.4
91.03962	3.5
91.05489	79.8
92.05820	3.1
93.07052	69.1
94.07883	1.7
95.04980	22.7
95.08614	38.3
97.02912	11.3
97.06543	16.4
97.10172	16.7
98.07317	4.2
99.04476	3.7
99.08121	7.8
100.59842	1.6
103.05483	2.1
105.04527	3.0
105.07038	57.1
106.07349	2.0
107.04940	13.2
107.08605	45.5
109.02880	1.9
109.06535	10.6
109.10167	24.0
110.10450	2.2
111.04481	4.8
111.08099	6.4
115.05429	2.7
116.04707	9.6
117.07029	26.1
119.08590	51.4
121.06509	6.3
121.10162	22.5
123.04441	1.7
123.08099	9.5
123.10941	1.7
123.11688	9.1
125.09637	17.4
127.03938	3.0
127.07569	2.4
128.06245	3.5
129.05493	24.0
129.06987	15.0
130.07767	2.2
131.08582	29.4
133.06500	2.8
133.10138	47.9
134.10518	2.9
135.08096	5.3
135.11703	18.3
137.09634	5.6
139.07593	2.0
141.06992	2.0
142.07771	2.8
143.07057	5.6
143.08574	7.7
143.10745	1.8
145.10133	19.9
147.08081	4.5
147.11711	28.9
149.09650	11.9
149.13277	14.6
151.11186	9.2
153.09167	2.2
153.12842	1.8
155.08479	3.6
157.08629	9.4
157.10165	14.6
159.11713	18.8
161.09613	2.8
161.13274	12.3
163.11180	10.8
165.12759	3.4
167.08669	2.2
169.10149	2.4
171.10280	3.4
171.11726	9.9
173.09628	1.8
173.11879	2.8
173.13295	9.6
175.11186	3.5
175.14841	4.6
177.12741	6.4
179.14334	4.2
184.07379	2.7
185.11734	2.0
185.13281	6.9
187.11310	1.8
187.20183	1.6
189.11252	6.7
189.12807	1.8
191.10696	2.2
193.12231	9.0
195.11702	1.5
195.13812	5.2
197.13312	2.4
199.13330	5.3
199.14952	3.4
200.14073	2.2
209.11658	2.6
211.13275	3.3
213.14790	2.3
219.17542	1.6
221.14891	1.5
227.12798	10.9
229.14330	5.1
241.19582	6.7
247.20679	3.0
251.16393	1.8
253.14395	3.7
254.14746	5.1
255.15807	1.9
257.19104	5.2
259.20596	22.1
267.15860	9.9
268.16470	4.1
269.17532	13.1
273.18643	2.2
275.20111	19.9
276.20413	3.5
283.15439	6.8
285.17105	1.7
289.88614	1.6
291.19550	2.6
293.21005	11.2
294.14923	1.7
301.16528	37.0
301.20032	5.1
302.16849	3.2
303.16486	2.6
311.40219	1.5
333.24329	18.5
349.23743	9.8
351.25308	2.4
365.23300	2.1
367.24716	2.2
423.27637	4.6
437.29123	5.0
439.26477	1.8
449.28668	7.5
451.30862	1.9
461.29013	3.0
463.30457	5.0
466.21219	1.8
471.29715	1.8
477.28320	3.6
495.29425	8.1
495.33749	4.7
499.34247	1.9
517.35352	9.6
519.22778	1.8
525.35577	5.7
541.35291	3.6
542.35358	6.9
543.36249	18.7
559.36389	9.2
575.39240	4.8
577.37189	3.1
593.36816	5.2
599.28369	1.8
607.35785	1.9
744.36389	8.7
790.40710	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	790.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.0
55.05273	2.5
55.05517	39.2
57.03184	2.1
57.03444	24.8
57.03714	2.9
57.07074	2.4
59.04995	2.9
61.02934	7.2
61.07580	1.5
65.03931	5.7
67.05512	100.0
69.03436	13.7
69.07075	56.0
70.06921	4.9
71.01350	1.9
71.05008	11.8
73.02920	4.0
77.03886	2.0
79.05502	73.7
81.03429	80.4
81.07064	87.7
83.04988	29.2
83.08626	33.3
85.02918	33.4
85.06538	5.6
91.05490	89.3
93.07052	60.0
95.04984	38.6
95.08613	52.6
95.09072	0.8
97.02910	10.2
97.06543	23.9
97.10178	12.9
98.07323	2.5
99.04510	2.7
99.08052	4.5
101.06063	2.6
103.03976	1.3
103.05463	2.8
105.04518	2.5
105.07047	58.6
107.04958	19.9
107.08605	36.1
109.02900	2.8
109.06524	11.4
109.10168	29.7
111.04456	2.7
111.08102	15.6
113.06020	3.3
115.05443	3.4
116.04742	1.5
117.07027	15.5
119.08597	43.0
121.06543	6.8
121.10162	22.0
123.04445	1.5
123.08054	9.4
123.11667	7.3
125.09652	7.9
127.03972	1.9
127.07589	1.8
128.06226	2.3
129.05530	8.7
129.07019	18.5
131.08582	34.4
133.06488	4.8
133.10144	38.8
135.08084	5.9
135.11711	10.3
137.09636	19.5
141.07002	4.5
142.07808	4.2
143.07024	1.6
143.08568	4.8
145.10141	16.7
147.08084	3.9
147.11702	29.3
149.09637	27.2
149.13252	4.0
151.11191	4.6
151.29289	1.7
155.08499	1.7
155.10651	3.0
157.08751	3.6
157.10101	23.0
159.11723	10.1
161.09616	3.4
161.13263	5.8
163.11211	12.7
165.09088	2.8
165.12758	4.4
169.10184	2.3
171.10245	3.6
171.11736	4.1
173.04543	1.9
173.11728	7.2
173.13164	3.3
175.11230	19.6
177.12758	4.6
179.14307	4.3
181.12303	1.7
183.11661	2.2
185.13246	1.6
187.11212	1.6
189.11235	3.9
189.12711	1.7
191.14569	1.9
193.12262	60.2
195.13672	1.5
197.13281	1.7
199.13272	1.7
205.12155	1.9
211.13310	66.3
223.13222	1.9
227.12775	7.6
229.14363	9.8
229.19443	2.3
239.18002	2.9
243.15895	3.9
247.20470	2.0
253.14383	3.3
255.15842	4.2
257.19037	6.0
267.15942	30.8
269.17474	5.5
273.18533	5.2
275.20074	33.9
283.15561	2.8
285.16995	58.9
291.19455	7.8
293.21094	5.2
301.16486	12.1
349.19775	2.6
349.23792	38.6
365.23242	4.1
367.24527	2.1
381.22717	4.0
421.25885	3.3
423.27682	2.3
424.93695	1.5
435.27145	2.0
439.26889	18.9
445.29437	2.2
453.28284	1.6
461.81659	1.4
463.30292	5.1
465.28381	2.0
479.29968	2.7
495.29645	4.4
525.20178	1.4
541.35303	14.1
557.34998	3.4
559.36346	39.5
575.35608	5.5
577.37195	5.7
589.50305	1.7
593.37030	2.1
702.31366	1.6
755.45599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	1.4
55.01874	16.8
55.05515	38.2
57.03440	30.5
57.07055	4.0
59.04995	3.0
61.02912	5.8
65.03929	3.9
67.05506	92.5
69.03430	15.9
69.06728	2.0
69.07071	28.3
70.12391	6.0
71.01337	6.5
71.04999	8.7
73.02908	5.3
73.16818	1.3
77.03884	1.4
79.05497	76.7
79.05959	3.9
79.82041	1.7
80.57095	1.3
81.03422	63.5
81.07059	100.0
82.04177	4.1
83.04502	1.4
83.04982	27.7
83.08619	32.0
85.02908	20.0
85.06557	7.3
90.59488	1.6
91.03954	3.3
91.05484	75.8
93.07050	70.9
95.04971	39.3
95.08611	36.5
97.02911	10.4
97.06001	1.8
97.06534	20.1
97.10161	15.0
98.07304	4.6
98.21421	1.9
99.04432	2.1
99.08068	4.0
103.05493	1.9
105.04522	3.4
105.07033	47.9
107.04968	18.7
107.08593	41.0
109.02875	2.5
109.06533	10.1
109.10159	21.2
111.04426	5.0
111.08094	16.9
113.05990	3.3
115.05460	3.7
116.04698	6.2
117.07023	18.5
119.04988	1.7
119.08587	36.3
121.06515	10.4
121.10143	19.9
123.08093	12.8
123.11715	7.3
125.09634	16.0
127.03912	3.7
127.07565	2.3
128.06212	2.6
129.05510	19.9
129.07001	17.4
131.04970	1.8
131.08578	25.7
133.06483	5.2
133.10141	33.1
135.08084	9.6
135.11710	22.0
137.09584	5.9
139.11125	1.7
139.38551	1.5
141.06966	2.2
142.07780	4.0
143.07036	4.0
143.08539	4.8
145.06441	1.7
145.10135	17.4
147.08026	5.0
147.11707	20.0
149.09627	15.6
149.13261	11.2
151.11119	4.9
153.12740	2.8
155.08528	3.1
157.08614	10.1
157.10107	16.8
159.08073	1.7
159.11665	11.6
161.09599	3.3
161.13245	3.1
163.11215	10.1
165.12776	4.1
169.10074	2.3
171.06490	2.0
171.10201	3.9
171.11693	3.9
173.04456	2.8
173.09572	2.0
173.11786	2.4
173.13213	3.4
175.11203	12.9
175.14738	1.7
177.12735	5.4
181.12267	6.8
183.11707	1.8
184.07326	3.3
185.13182	2.4
187.11234	3.0
187.13205	2.0
187.14790	1.4
189.11229	5.2
189.27518	1.4
191.10628	1.6
193.12250	42.4
195.13800	7.9
197.13295	1.6
199.13271	7.1
199.14880	2.2
205.12300	1.8
209.11720	5.6
211.11293	2.9
211.13287	41.2
213.11131	1.5
227.12688	10.2
229.14359	3.8
233.15398	2.4
236.59607	1.4
243.15880	6.0
247.20479	1.8
253.14307	4.9
255.15881	23.4
257.19073	3.5
267.15906	27.3
269.17502	27.3
273.18521	5.6
275.20087	17.7
283.15408	8.7
285.16989	33.6
291.19504	5.6
293.21094	2.1
301.16470	41.7
349.23828	14.0
365.23264	3.1
367.24759	2.4
393.26639	2.1
409.25931	2.0
411.27130	2.3
423.27438	10.8
447.27377	2.8
453.28400	4.4
459.26968	2.6
461.29034	3.0
465.28659	7.3
477.28412	6.5
478.29135	3.6
479.29889	3.0
481.28085	11.7
495.29556	35.8
541.34760	2.9
557.34375	5.9
559.36237	4.1
575.35767	12.2
593.36725	5.1
624.98431	1.8
681.12140	1.6
705.67865	1.7
792.32355	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.6
55.05512	26.0
57.03439	16.6
61.02932	3.2
65.03967	2.3
67.05507	51.6
69.03407	5.3
69.07066	20.6
70.69891	4.4
70.70224	2.8
71.04979	9.2
79.05496	55.2
80.50632	2.3
81.02986	3.3
81.03422	40.9
81.07059	48.0
83.04983	11.1
83.08619	13.2
85.02902	7.0
85.06528	5.1
91.05482	53.4
93.07043	59.6
95.04985	16.4
95.08616	28.3
96.50343	2.1
97.02890	6.3
97.06527	7.3
97.10166	10.5
99.08083	3.4
105.07033	43.5
107.04951	8.1
107.08602	24.9
109.06507	8.5
109.10172	20.0
111.04433	2.5
111.08070	7.0
117.07025	20.1
119.08573	33.6
121.06506	5.0
121.10155	23.6
123.08077	5.9
123.11735	4.5
125.09621	7.7
128.06218	4.6
129.05447	3.0
129.06999	11.7
131.08571	20.7
133.06468	2.2
133.10146	26.6
135.08067	5.3
135.11697	13.2
137.09633	3.3
141.07018	4.3
142.07822	2.6
143.08569	10.5
145.10129	21.2
147.08054	2.8
147.11688	17.8
149.09645	7.3
149.13219	7.0
151.11169	2.3
153.12744	2.0
155.08580	5.8
157.10133	13.3
159.08025	3.2
159.11691	13.2
161.09665	2.6
161.13245	8.9
163.11169	5.9
167.08496	4.0
169.10149	9.5
171.11688	7.5
173.09662	3.8
173.11888	2.5
173.13303	7.6
175.11108	4.5
183.11661	6.0
184.07317	7.2
185.13257	5.9
187.14839	3.2
189.11223	5.0
191.10655	2.6
193.12245	9.1
195.11647	4.3
197.13292	4.2
199.14877	3.9
201.16794	2.2
209.11699	2.4
209.13402	3.2
227.12798	10.0
229.14345	5.2
241.19550	3.4
259.20612	14.1
267.08817	2.3
267.15985	21.6
269.17456	8.4
275.20084	3.5
283.15396	6.0
299.23596	5.1
301.16681	2.9
333.24384	10.2
365.22995	2.3
421.25894	7.3
423.27411	3.4
433.30936	5.1
435.27609	3.9
451.31952	6.7
459.26917	3.2
469.33395	5.1
475.30618	2.5
477.28253	3.0
495.29239	4.3
507.34854	4.2
517.35010	3.6
525.35748	47.6
543.36835	100.0
557.38287	12.8
575.39618	14.1
629.52924	2.4
791.40552	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	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
55.05516	37.2
57.03188	2.0
57.03443	21.8
57.07076	5.2
59.05008	36.8
60.08167	1.7
61.02917	4.6
65.03951	3.6
67.05511	100.0
69.03432	5.4
69.06731	1.4
69.07078	18.7
71.04993	14.7
71.08627	2.2
71.11813	2.9
73.02920	2.3
74.27448	1.1
79.05502	44.0
79.05965	2.7
81.03432	9.3
81.07065	68.3
83.04984	5.7
83.08631	14.9
85.02921	10.0
85.06544	4.0
86.09705	4.0
87.04478	55.2
87.04874	1.0
89.05474	1.1
89.06041	3.4
91.05491	26.9
93.07050	42.3
94.62034	1.2
95.04980	5.8
95.08613	39.5
97.02899	4.2
97.06530	4.9
97.10183	17.3
99.04460	19.9
105.04526	1.9
105.07052	16.9
107.04990	3.1
107.08604	29.8
109.06524	1.8
109.10167	58.5
111.04443	2.9
111.08074	4.0
117.07050	8.0
119.08589	16.1
121.06493	1.7
121.10156	17.9
123.08069	2.5
123.11720	3.9
124.99983	2.8
125.09643	16.8
129.06999	3.1
131.08594	8.1
133.08571	1.7
133.10150	8.9
135.08063	1.7
135.11728	12.7
137.09619	3.7
137.13248	2.2
143.10767	1.9
145.10123	9.4
147.11685	6.7
149.09627	2.7
149.13269	6.0
151.11281	1.3
155.10706	2.9
157.10158	3.5
159.11740	5.4
161.13246	7.0
163.11182	7.0
163.14833	2.8
171.11746	1.3
173.04382	1.4
173.11763	16.1
173.13289	4.9
175.11147	1.4
175.14766	1.2
177.11331	1.6
184.07349	13.7
187.14825	3.3
189.11272	1.4
190.87868	1.1
191.10690	2.3
193.12286	4.0
199.13278	10.5
199.14786	1.4
209.11771	2.8
223.13194	2.5
225.14816	1.8
227.12752	6.5
229.14368	43.5
229.16573	2.6
241.14429	5.4
243.21106	4.4
257.13824	4.8
259.15701	1.4
259.20633	2.7
259.67548	1.3
261.22144	13.9
267.15979	9.3
275.20081	1.7
283.15408	1.9
315.18015	10.2
317.24753	2.0
325.69125	1.2
335.25842	68.9
336.26010	4.0
363.25464	4.1
459.34586	2.4
477.35797	21.3
489.35809	51.3
490.36374	1.9
531.40460	1.8
543.36841	2.7
561.37598	1.8
575.39258	4.4
593.40265	2.6
613.47870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05510	33.8
57.03436	18.5
57.07059	2.8
59.05003	38.4
61.02915	2.9
65.03917	3.7
66.67202	1.2
67.05505	100.0
69.03410	4.5
69.07073	16.7
71.04997	11.1
71.08623	1.5
74.67004	1.3
79.05492	43.8
80.52831	1.2
81.03427	7.2
81.07059	55.6
83.04972	3.7
83.08616	15.6
85.02903	5.8
85.06538	4.0
87.04470	54.7
87.05003	1.0
91.05476	19.5
93.07045	41.5
95.04946	4.8
95.08605	38.4
97.02891	4.3
97.06506	3.7
97.10175	20.0
98.20739	3.6
99.04465	17.0
100.52186	1.2
105.07034	18.1
107.04935	2.6
107.08599	27.6
109.06534	2.8
109.10152	51.8
111.04414	2.7
111.08073	3.2
113.06042	1.4
115.03892	1.4
117.07034	6.9
118.51099	1.5
119.08576	16.5
121.06534	2.3
121.10143	18.3
123.08041	2.7
123.11684	4.7
125.09644	15.0
127.03916	2.0
129.07010	1.4
131.08578	9.3
133.10109	6.7
135.11722	11.8
137.09605	3.3
137.13287	2.1
141.89238	1.2
143.08589	2.1
143.10629	1.6
145.10115	8.3
147.08102	1.5
147.11652	6.5
149.09567	1.9
149.13278	5.2
155.10670	3.3
159.11710	6.2
161.13300	2.7
163.11203	4.8
163.14754	2.3
163.50764	1.2
171.11702	1.4
173.11720	14.5
173.13264	4.2
175.11177	1.4
175.14841	1.4
183.11595	1.2
185.13254	2.0
187.14728	1.7
191.10674	2.1
193.12283	2.3
199.13275	9.2
199.14848	1.9
209.11736	1.9
217.14392	1.6
223.13350	2.1
225.14603	1.5
227.12796	6.1
229.14345	36.3
241.14334	5.0
243.20947	2.2
257.13846	2.0
259.20432	2.5
261.22107	11.6
267.15948	6.2
277.21588	1.8
278.10049	1.2
283.15454	2.0
289.21487	1.5
290.46283	1.2
315.17984	8.8
317.24619	3.2
333.24207	2.3
335.25781	55.5
336.26068	2.0
363.25259	4.5
408.40024	1.2
451.32391	1.4
477.35770	21.0
489.35748	44.5
517.34863	2.5
543.36615	3.7
561.38123	2.1
575.39227	3.4
593.40295	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	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
58.06607	0.3
60.07884	0.3
60.08167	6.1
67.05506	0.4
69.07054	0.2
70.21005	0.2
70.69044	0.6
71.07380	3.1
82.86067	0.2
86.09708	26.5
90.36071	0.2
98.98473	2.9
104.10748	2.6
125.00009	16.9
131.37503	0.2
136.09381	0.2
139.01668	0.2
184.07346	100.0
185.07683	0.8
201.19492	0.2
208.39642	0.2
294.53409	0.2
322.35104	0.2
374.94000	0.2
630.02435	0.2
690.46997	2.2
772.54810	1.4
790.56036	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	792.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.0
55.05270	2.6
55.05515	31.7
57.03187	2.2
57.03441	23.7
57.07068	2.7
59.04983	3.0
59.43697	1.5
61.02910	4.3
65.03950	4.0
65.63026	1.6
67.05509	100.0
69.03435	9.4
69.06734	3.0
69.07073	31.2
71.04993	11.8
73.02924	3.1
73.65918	1.5
79.05499	59.1
81.03423	82.4
81.07060	94.9
83.04984	24.6
83.08152	3.2
83.08624	45.2
85.02431	2.6
85.02910	37.0
85.03424	2.2
85.06528	5.0
86.09714	1.8
87.04466	1.7
91.05486	64.4
93.06477	3.1
93.07049	55.9
95.04977	40.4
95.08052	3.0
95.08616	35.8
97.02902	7.5
97.06527	15.7
97.10180	10.8
99.08074	4.5
103.05455	2.8
105.07033	50.6
107.04981	14.6
107.08600	40.0
109.02867	1.9
109.06527	15.0
109.10159	42.8
111.04446	5.2
111.08084	20.9
113.06033	4.2
113.18205	1.7
115.05431	2.8
117.06994	12.0
119.08591	43.8
121.06484	5.6
121.10146	24.8
123.08055	7.3
123.11724	4.7
125.09637	12.9
127.03907	2.3
128.06277	2.7
129.07018	16.2
131.08577	27.6
133.06471	6.9
133.10127	28.8
135.08049	4.7
135.11661	8.7
137.09599	5.8
141.06932	1.6
142.07768	3.7
143.08543	3.3
145.10126	12.8
147.08040	4.6
147.11703	32.0
149.09650	15.4
149.13235	11.0
151.11189	3.8
155.08543	1.9
155.10664	2.2
157.10139	24.7
159.11684	12.6
161.09616	2.7
161.13235	2.2
163.11168	6.9
165.12762	4.4
167.07036	2.1
169.10060	2.2
171.11714	3.0
173.11742	9.7
173.13271	4.4
175.11192	21.7
175.14758	2.3
177.12752	3.9
183.11652	3.0
184.07375	6.0
185.13208	1.8
187.11110	2.2
189.11241	3.9
193.12250	57.0
194.12679	2.5
195.13887	2.7
197.13315	2.6
201.16385	1.8
211.13313	57.9
221.68974	1.5
227.12784	8.6
229.14339	26.3
230.05319	1.8
239.17960	3.1
257.18991	6.1
263.59213	1.8
267.15942	39.8
269.17471	21.5
275.20084	36.4
285.16980	68.0
293.21164	5.3
349.23773	25.7
367.24799	12.8
413.21414	2.1
421.25955	11.9
439.26917	73.2
439.32999	3.6
443.27753	3.6
449.30334	2.2
455.26859	2.2
461.28952	27.6
479.30069	85.2
541.35150	26.3
559.36365	62.3
560.36346	4.4
577.37378	27.1
583.30896	3.8
623.33862	4.6
792.37921	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	792.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05511	14.0
57.03439	11.5
57.07053	1.8
61.02927	2.5
65.03948	3.5
67.05505	63.9
69.03415	1.3
69.07068	14.7
71.03194	0.8
71.03529	1.2
71.04985	1.1
71.08624	0.6
73.02903	1.1
73.51186	0.6
79.05494	36.8
81.03393	0.9
81.07057	63.6
83.04980	1.4
83.08620	7.8
85.02884	2.1
85.06537	1.8
91.03947	0.7
91.05479	26.1
92.07477	0.5
93.07043	45.8
95.04976	3.3
95.08606	50.1
97.02867	0.9
97.06516	2.7
97.10158	2.1
99.08059	2.0
103.05417	0.7
105.04536	1.3
105.07037	17.5
107.05000	0.8
107.08594	24.8
109.06544	1.5
109.10159	22.3
111.08054	2.1
113.09659	0.6
116.15565	0.5
117.07014	7.1
119.08582	16.9
121.06496	0.5
121.10140	21.5
123.08054	1.7
123.11710	8.2
125.09601	1.1
129.06995	1.9
130.07808	0.6
131.08574	12.9
132.17247	0.5
133.10126	13.4
135.11696	14.9
137.09579	0.6
137.13249	2.0
139.11177	1.2
143.08521	1.5
145.10135	8.6
147.11694	10.8
149.13264	9.7
151.14783	0.6
155.08597	0.6
157.10104	1.7
159.11670	7.4
161.13246	7.2
163.11209	0.5
163.14842	4.4
165.12784	0.7
171.11667	2.5
173.13269	7.3
175.14819	3.2
177.12762	0.8
177.16414	1.6
185.13237	1.3
187.14751	3.7
189.03674	0.5
189.16368	1.4
191.36929	0.5
199.14799	0.9
201.16379	1.8
203.18051	0.9
211.14758	0.7
213.16411	1.3
215.17892	0.5
229.19516	0.5
233.22430	0.6
241.19522	3.2
243.21056	5.3
259.20578	7.3
261.22144	16.6
263.23740	1.9
287.23691	0.7
303.23367	0.7
317.24783	2.7
333.24289	4.7
335.25797	100.0
336.26093	1.3
337.27353	10.7
517.39020	0.6
521.43610	2.5
595.47180	16.2
596.48157	0.7
613.48303	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	793.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
57.07070	1.0
58.45219	0.4
58.58201	0.4
59.05001	0.6
61.02927	4.9
67.05507	4.2
69.03426	3.1
69.07075	2.4
69.45454	2.0
69.45866	0.6
71.05005	1.7
72.53568	0.4
73.02912	4.7
74.40691	0.4
79.05492	3.8
81.03415	4.6
81.07055	4.9
83.01106	0.6
83.04993	1.3
83.08627	1.8
85.02908	6.8
85.06539	0.6
87.04498	0.5
87.88708	0.4
91.03962	3.3
91.05478	4.3
93.07050	4.0
95.04965	2.0
95.08613	2.1
97.02893	5.7
97.06543	1.5
97.10212	0.6
99.04462	1.8
101.02393	1.8
105.07039	3.2
107.04974	1.2
107.08572	2.1
109.02901	1.0
109.06521	0.9
109.10179	1.8
111.08086	1.0
117.05504	0.9
117.07028	0.9
119.08569	2.6
121.10174	1.7
123.11723	0.5
127.03912	2.3
129.05501	1.3
129.07050	0.5
131.08597	1.9
132.08891	0.4
133.10147	2.7
135.11682	1.0
136.16728	0.4
137.09566	0.5
145.04959	1.0
145.10168	1.1
147.11728	1.1
149.09682	1.6
149.13242	0.4
157.08774	0.6
157.10066	0.9
159.11700	0.6
163.11226	0.8
169.85832	0.5
175.11195	0.7
179.14410	0.7
181.04694	0.5
184.07346	0.6
185.04222	2.2
193.12294	1.6
199.05888	0.4
201.03714	0.7
223.13289	0.5
225.15102	0.4
243.08356	4.4
253.14153	0.7
259.07983	0.6
261.11072	2.8
264.97171	0.4
270.25360	0.4
283.15146	2.3
285.18109	0.4
301.08929	10.8
313.09149	0.7
313.17847	2.0
315.10461	2.2
315.19382	2.4
327.10580	1.0
331.18811	4.8
339.17871	1.0
341.12308	0.8
343.13461	0.6
355.13721	1.0
357.15302	1.5
369.15417	1.4
371.17740	0.6
371.21866	2.2
373.11020	3.6
377.15515	0.5
383.17111	1.0
385.18384	6.6
387.12759	0.6
387.21411	0.6
411.21085	0.8
415.16019	0.5
429.17502	4.8
429.22711	1.7
447.23685	0.6
451.19608	1.7
455.19012	3.1
467.19110	1.4
469.20502	3.4
475.23193	2.1
478.03168	0.4
479.19083	1.3
499.25043	0.7
501.23029	10.2
511.21808	0.7
513.26514	1.7
513.32758	0.9
523.21887	0.6
531.25500	2.2
533.27258	5.1
539.21014	7.1
539.27667	0.6
549.26788	3.2
553.30096	0.9
559.32941	0.9
565.26990	0.6
595.27667	0.8
603.27997	0.9
608.28125	1.5
621.28705	2.8
623.30475	4.6
635.31146	0.9
649.32465	1.6
677.30975	0.7
679.33392	1.7
691.36621	4.0
692.36108	0.8
695.32776	3.6
707.32196	1.1
731.39673	0.6
733.37439	0.6
747.39539	0.9
757.37415	0.6
775.38489	4.0
793.41876	100.0
794.41998	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	793.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
61.02932	5.6
67.05511	5.0
69.03429	4.1
69.07059	2.0
69.23452	3.6
69.23872	2.9
71.04968	0.7
73.02928	3.2
79.05496	3.1
81.03426	4.0
81.07070	3.5
83.04988	1.9
83.08622	2.1
84.86855	0.7
85.02911	7.8
86.09727	1.1
88.96780	0.7
91.03958	4.1
91.05473	2.0
93.07033	2.5
95.04962	1.4
95.08602	2.0
97.02888	6.1
97.06547	1.4
97.10157	1.1
98.21607	1.2
99.04455	0.9
99.24895	0.7
101.02381	2.5
103.03948	0.8
105.04538	0.6
105.07059	2.4
107.04971	1.4
107.08605	2.5
109.02896	1.7
109.10173	2.3
115.03934	1.0
117.05502	0.9
117.07011	1.3
119.08602	1.7
121.10149	1.3
125.09621	1.4
127.03937	2.4
129.05479	2.8
131.08525	1.0
133.10109	1.9
135.11748	2.1
139.03755	0.8
145.10139	1.6
159.11731	0.8
163.11212	2.1
173.11784	0.8
184.07327	5.1
185.04221	6.4
201.03822	2.8
223.13327	1.7
232.86864	0.8
241.06985	0.8
243.08376	6.4
244.16176	0.8
244.72002	0.7
261.10916	0.8
283.15359	1.4
285.10028	1.1
297.17395	0.7
301.08939	13.2
315.10495	3.3
327.10648	1.7
331.18594	3.6
341.12128	1.8
347.14478	0.9
357.15256	1.4
371.17154	0.7
373.11078	5.5
383.17084	1.9
385.18317	7.9
387.12735	1.7
413.17929	1.0
429.17230	2.4
429.22415	1.4
439.19620	2.2
443.18680	1.4
443.24164	0.9
455.19214	1.7
457.20621	1.6
467.19058	9.9
469.20871	1.4
475.23697	1.6
478.13467	0.9
481.20309	3.3
497.19760	2.0
498.20532	1.1
511.21432	1.0
513.32782	1.5
539.20923	8.1
539.27869	1.0
549.26715	6.6
567.25238	1.0
581.29565	7.9
582.30585	1.0
609.28961	1.0
621.28674	2.7
623.29907	3.6
635.30109	1.3
639.29443	3.8
640.27222	0.8
649.31769	0.8
665.31531	2.8
667.17297	0.8
679.33423	1.3
691.36609	2.2
707.32513	24.2
708.32489	1.1
733.38611	1.2
747.38531	1.7
769.81372	0.8
775.39557	4.6
793.39758	100.0
794.39838	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	793.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.5
61.02919	4.7
67.05518	4.6
69.03429	4.0
69.07072	2.1
70.52844	0.9
70.53152	1.6
73.02923	3.7
77.79766	1.0
79.05502	3.4
81.03426	5.5
81.07056	5.1
81.08100	0.8
83.04978	1.8
83.08633	2.1
85.02890	6.1
86.09705	1.5
89.43369	0.8
91.03959	2.6
91.05479	4.8
93.07056	2.9
95.04975	2.0
95.08625	3.2
97.02884	3.9
99.04463	1.3
101.02387	1.3
105.07056	3.5
107.04976	1.0
107.08618	2.5
109.02905	1.2
109.06538	1.2
109.10166	3.1
111.08061	1.1
119.08617	3.4
121.10172	1.5
124.99996	1.2
127.03993	1.5
129.05510	1.9
133.10155	2.6
135.11691	1.5
137.05887	0.8
145.10150	1.4
147.11745	2.1
149.09645	0.9
149.13261	0.9
153.12819	1.2
173.11795	1.1
173.13260	1.1
175.11229	1.4
181.12401	0.8
184.07356	4.4
185.04228	1.7
185.07764	0.9
193.12259	1.9
193.23064	0.8
201.03769	1.3
211.13307	1.4
221.11540	1.2
243.08400	4.8
251.12617	2.5
255.21008	0.8
285.16797	0.9
301.08914	5.8
315.10553	2.5
327.10516	1.2
369.15366	2.9
371.16794	1.9
373.10989	1.9
383.16528	1.0
383.35507	1.1
385.18304	2.2
413.17706	4.5
437.30685	0.9
439.19550	6.6
443.18909	1.9
451.19470	1.8
467.19144	2.0
469.20499	17.6
539.21472	1.1
541.22302	5.1
555.24091	0.9
565.26508	1.0
585.28894	11.9
597.29199	5.4
609.28766	1.3
611.30579	2.0
649.32330	1.1
666.51990	0.9
667.33032	8.9
678.32495	3.7
679.33099	3.0
689.33801	3.4
695.32562	3.4
696.33374	25.5
793.39813	100.0
794.40869	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	793.434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17542	0.5
57.03440	2.3
57.07086	1.0
59.05008	0.6
61.02932	6.9
63.46958	0.5
67.05506	4.3
69.03434	3.6
69.07067	2.8
69.43151	2.1
69.43574	1.9
71.04993	1.5
73.02923	4.5
79.05497	5.0
81.03419	5.4
81.07058	4.6
83.01113	0.8
83.05001	1.4
83.08626	1.6
85.02908	5.5
91.03949	3.5
91.05480	4.8
93.07043	3.7
95.04956	2.5
95.08607	2.9
97.02907	4.2
97.06545	1.2
98.21478	1.1
99.04465	1.1
99.08102	0.7
101.02412	2.2
102.74963	0.6
105.07043	4.0
107.04954	1.2
107.08601	2.9
109.02895	1.2
109.06568	1.1
109.10180	1.4
111.08166	1.0
115.03936	0.8
117.05551	0.6
117.07063	1.5
119.08588	3.2
121.06573	0.6
121.10130	2.3
123.04417	0.8
125.09644	0.5
127.03948	2.3
129.05458	1.2
129.07034	0.9
131.08595	1.8
132.09338	0.5
133.10110	3.5
135.08089	0.6
135.11761	1.1
139.07579	0.5
141.07024	0.6
145.04996	0.7
145.10225	0.9
147.11771	1.8
149.09685	2.1
151.11234	1.1
157.10179	1.0
159.11728	1.1
161.13382	0.7
163.11276	0.8
171.29062	0.5
175.11189	1.1
179.14334	0.6
184.07408	0.8
185.04349	1.9
186.22833	0.5
193.12337	1.6
201.03838	0.7
203.05208	1.2
241.06853	0.6
243.08412	5.1
250.65858	0.6
253.14391	0.7
261.11108	2.1
267.15906	0.9
275.20135	1.0
283.15359	2.2
301.08951	6.6
313.08795	0.5
313.17932	1.2
315.07199	0.5
315.10687	2.4
315.19189	2.9
327.51068	0.5
331.18863	1.9
339.18222	0.8
341.12152	0.7
355.13779	0.9
357.15057	0.9
357.20685	0.7
369.15402	1.8
371.21939	1.1
373.11380	1.9
383.17050	1.0
385.18326	3.3
411.21558	0.9
415.15778	0.7
429.17465	3.6
429.22437	1.1
443.19122	0.6
451.19720	1.4
455.18552	2.4
457.20825	1.5
467.19238	0.7
469.20627	2.0
475.23141	1.1
479.19043	1.6
501.22977	9.5
501.30139	0.5
513.26868	2.0
531.25781	2.3
533.27209	8.5
539.21027	7.1
539.28406	1.2
549.26624	3.3
608.28430	1.1
621.29388	1.8
623.30475	4.4
635.30664	0.9
649.32556	1.5
679.33246	0.9
691.37042	3.1
695.32599	1.6
747.39307	0.8
775.38354	2.4
793.42572	100.0
794.42267	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	794.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06838	0.8
57.07074	8.2
58.06596	2.9
60.08150	2.5
61.02933	1.7
62.78696	1.1
65.03938	5.3
67.05479	1.9
69.03413	2.1
69.07048	1.3
69.15901	8.7
69.16312	2.4
70.06590	27.5
70.87880	1.0
71.07356	1.6
71.08614	4.7
81.03407	2.6
81.07050	1.7
85.02877	1.6
86.09704	13.5
88.07630	30.3
91.05459	2.7
93.07050	1.5
93.82619	1.1
94.14178	1.2
95.08553	2.0
97.02883	1.8
98.20781	2.7
98.98432	1.6
102.09178	22.6
105.07008	2.4
107.08580	1.5
115.44915	1.0
121.02851	2.2
125.00009	8.0
131.08551	1.6
138.37099	1.2
139.03923	1.6
147.04428	1.4
149.02350	100.0
149.03432	6.6
151.80035	1.0
175.03848	2.7
176.25792	1.1
177.05504	1.3
184.07344	43.6
191.07095	1.3
193.04967	52.2
198.90022	1.0
200.20093	80.4
219.06596	3.5
237.07625	12.6
273.23419	1.2
341.06546	4.8
359.07526	2.3
385.09192	6.9
429.11795	2.7
577.13361	9.0
621.15967	12.6
744.44867	1.2
768.50873	1.4
768.67932	1.2
776.32983	1.7
794.33466	98.8
795.39514	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	794.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
57.34845	0.4
57.71675	0.4
59.04970	0.5
61.02932	0.6
65.62019	0.4
65.76981	0.5
67.05502	0.8
69.03427	1.5
69.07075	1.5
71.05002	2.6
81.03424	0.5
81.07061	1.9
83.04984	1.0
83.08628	0.6
85.02923	4.4
85.06554	0.9
89.06051	0.8
91.05489	0.5
93.07047	1.3
95.04978	0.7
95.08617	2.2
97.02894	0.8
97.06542	1.0
105.07036	2.0
107.08608	5.6
109.06547	0.8
109.10169	6.0
111.08090	1.4
118.53535	0.5
118.60371	0.4
119.08563	2.0
121.06544	0.5
121.10162	38.0
123.08069	0.7
123.11731	2.3
125.09649	1.4
127.03935	0.6
129.09109	0.6
131.08553	0.9
133.10172	4.2
135.08032	1.5
135.11732	2.7
137.09668	3.0
137.13309	0.5
139.11200	2.8
145.05003	0.9
145.10124	0.6
147.11693	3.4
149.09537	0.5
149.13271	4.6
151.11205	6.7
153.09140	1.1
163.14850	4.7
165.12794	0.4
169.12267	2.2
173.13289	7.2
191.14336	24.8
209.15378	10.9
227.16449	100.0
228.16783	1.5
389.21683	5.6
406.24423	10.2
435.55466	0.5
603.90411	0.4
645.30817	0.5
795.27405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	14.2
57.07085	8.4
61.02920	3.7
63.30664	0.9
65.03928	3.6
66.64696	1.1
67.05505	85.9
69.07069	35.1
71.05003	2.2
71.06680	1.2
71.06991	1.4
71.08626	3.1
71.48051	1.0
79.05492	37.4
81.07053	86.0
82.07394	1.1
83.04966	2.4
83.08616	17.8
85.02908	3.9
85.06532	3.2
85.10145	1.6
87.04467	3.4
91.03976	1.1
91.05485	25.2
93.07040	47.0
95.04960	4.0
95.08604	76.5
96.08915	1.6
97.02848	1.6
97.06512	3.1
97.10168	9.1
99.08070	1.5
105.07028	19.8
107.08591	25.9
109.06521	1.9
109.10159	29.6
111.08067	2.0
111.11726	2.3
117.07020	7.1
119.08573	16.3
121.10143	22.2
123.11697	11.8
125.09624	1.8
129.06937	1.8
131.08549	10.7
133.10136	14.5
135.07974	1.3
135.11681	14.3
137.09605	1.9
137.13239	4.7
139.11282	1.2
140.56291	1.1
143.08638	1.4
145.10110	9.2
147.11673	11.3
147.67990	1.0
149.13264	9.7
151.14836	2.1
157.10124	2.4
159.11737	7.6
161.13258	9.8
163.14836	6.4
165.12758	1.3
171.11703	2.3
171.67444	1.1
173.13277	7.5
175.14832	4.5
177.16444	2.1
184.07367	1.8
185.13208	1.9
187.14798	3.7
189.16411	2.7
192.29988	1.1
201.16316	1.8
201.63278	1.1
203.17958	1.2
243.21089	7.1
245.22646	2.8
249.68689	1.1
253.94313	1.1
257.90503	1.1
259.20572	4.5
261.22122	19.6
263.23761	5.9
272.61777	1.3
317.24701	4.8
333.24246	4.0
335.25787	79.6
336.26154	2.0
337.27356	100.0
338.27658	1.5
339.28775	6.9
383.04517	1.1
491.38000	1.3
523.44965	3.0
541.45734	2.6
597.48779	37.0
615.49750	31.1
658.76001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.0
61.02926	4.5
67.05507	4.0
69.03432	2.5
69.07055	1.8
71.01339	0.6
71.04997	1.1
73.02915	3.0
75.18982	0.3
79.05498	3.2
81.03422	3.6
81.07059	3.8
83.04990	1.2
83.08615	1.4
85.02905	5.9
85.06525	0.4
86.09706	1.5
87.04467	0.5
91.03976	2.7
91.05476	3.6
91.68288	0.3
93.07050	2.6
95.04974	2.1
95.08589	1.8
96.86273	0.4
97.02905	3.8
97.06542	2.1
99.04476	0.5
99.08093	0.5
101.02357	1.5
105.07040	2.3
107.04990	0.7
107.08604	2.0
109.02902	1.0
109.06519	0.7
109.10149	0.7
111.04463	0.3
111.08092	1.0
112.85269	0.3
115.03925	0.5
117.07041	1.0
119.08601	1.3
121.06497	0.4
121.10152	1.0
125.00029	0.9
127.03904	1.5
129.07021	0.8
131.08583	1.1
133.06552	0.4
133.10114	1.6
135.08058	0.4
135.11740	1.0
136.82170	0.3
137.05789	0.3
142.06699	0.3
145.04930	0.3
145.10152	0.8
147.11693	1.0
149.09583	0.4
157.10161	0.7
159.11697	0.4
163.11253	0.7
173.13205	0.3
175.11243	0.5
184.07359	2.9
185.07733	0.4
190.54117	0.3
193.02811	0.4
193.12309	1.0
203.05336	0.5
211.13382	0.5
230.78352	0.3
232.30516	0.4
243.08453	2.9
251.12627	0.9
255.16023	0.4
301.09146	0.4
307.15485	0.4
349.19897	6.2
349.23892	0.5
351.21405	0.5
405.22568	0.8
435.27484	0.4
436.27997	0.5
439.19690	1.3
453.21353	0.8
467.18787	1.5
469.20428	7.0
541.22211	0.4
567.27795	4.4
569.29376	1.1
718.32623	0.4
781.54510	0.3
795.41351	100.0
796.41528	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	795.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
57.07080	0.7
61.02927	4.2
67.05516	3.0
69.03434	2.6
69.07069	1.6
69.20101	2.5
69.20506	0.9
71.01389	0.4
71.04992	0.8
73.02927	3.9
79.05498	2.5
81.03422	3.6
81.07053	2.5
83.01089	0.3
83.04994	0.6
83.08624	0.9
85.02914	5.7
86.09718	0.7
91.03970	3.8
91.05489	2.3
93.07043	1.9
95.01099	0.7
95.04978	1.1
95.08612	1.4
96.01833	0.5
97.02900	4.4
97.06567	0.6
97.10215	0.5
98.21513	0.8
99.04451	0.9
101.02399	1.4
105.07038	1.6
105.07719	0.4
107.08624	2.0
109.02879	1.3
109.06538	0.7
109.10177	1.4
115.03947	0.5
115.82103	0.4
117.05471	0.4
117.07024	0.4
119.08613	1.3
121.10204	0.8
123.04240	0.8
125.09695	0.4
127.03943	1.7
127.11237	0.6
129.05505	1.5
129.07071	0.5
131.08572	0.7
133.10159	1.1
135.11710	0.9
137.09515	0.4
145.05016	1.1
145.10179	0.8
147.11754	0.5
149.09637	0.5
151.11176	0.4
157.04625	0.3
159.11728	0.8
167.10651	0.4
181.04648	0.5
184.03435	0.6
184.07359	2.3
185.04230	4.7
185.07666	0.6
192.15231	0.4
193.12328	0.6
199.05797	0.7
199.13422	0.4
201.03694	1.9
201.14966	0.6
203.05370	0.8
205.12177	0.5
211.13290	0.4
223.13396	0.8
227.05267	0.4
241.06943	0.7
243.08476	4.3
251.12561	2.4
259.07974	0.6
263.12558	0.9
291.15732	1.1
291.38580	0.4
293.13467	0.4
301.08969	13.9
313.09036	0.7
315.10532	3.3
319.15350	0.4
327.10641	0.8
329.12241	0.5
333.20374	3.2
341.12299	0.9
343.13907	0.9
349.16345	2.1
355.13358	0.7
357.15372	1.0
359.21960	0.5
369.15472	1.0
371.17075	1.0
373.11041	4.6
373.23721	0.9
383.16937	1.6
385.18347	7.7
387.12833	1.5
389.23398	0.5
395.16989	1.0
401.14438	0.5
413.18036	1.2
415.15979	0.4
429.17050	2.2
431.24274	2.1
433.25363	1.7
439.19525	1.6
441.21054	0.7
443.19028	2.4
449.25220	0.7
453.21204	0.9
457.20541	0.9
467.18506	0.5
469.20547	9.9
470.21576	0.5
477.24686	2.2
479.26437	0.7
481.20486	4.2
483.22601	0.8
485.20041	1.2
487.22205	0.5
499.21118	2.0
500.22275	0.6
511.21762	0.5
513.26990	0.5
515.33667	1.6
527.28156	0.6
528.21918	2.2
541.22607	8.2
551.28375	5.8
555.23724	0.8
561.34241	1.2
567.28326	1.0
568.28375	0.6
569.26526	0.8
583.30981	0.6
593.29102	0.7
610.29803	1.0
611.30505	1.1
612.31451	1.3
623.30316	4.4
625.32068	1.7
637.32117	0.9
641.31714	2.4
651.33282	0.9
665.34552	1.0
667.33044	2.6
679.35284	0.5
693.38226	2.2
694.39240	0.6
697.33356	0.5
709.34027	15.4
710.33929	0.5
723.39337	0.4
733.41772	1.0
749.40125	0.9
777.40363	3.3
778.40924	0.5
795.41370	100.0
796.41510	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.6
67.05496	2.1
69.03431	0.8
69.07075	0.7
69.92838	1.0
69.93217	2.2
72.87247	0.5
73.02917	1.0
79.05480	1.1
81.07066	1.6
83.08607	1.1
85.02907	1.2
86.09693	0.6
87.04465	1.0
91.03947	0.7
91.05463	0.8
93.07023	0.8
95.08611	1.0
97.02873	1.1
107.08595	0.9
109.02858	0.6
109.10156	1.0
139.03912	0.6
163.03926	0.7
181.84070	0.5
184.07393	2.0
241.04922	0.7
270.40372	0.6
286.51981	0.6
413.17896	1.1
465.19061	1.7
485.17035	0.9
519.29303	1.2
539.22473	0.7
691.40320	16.8
692.39868	0.6
795.42877	100.0
796.43225	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	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
61.02924	5.7
65.03917	0.7
67.05495	4.6
68.18462	0.6
69.03431	3.5
69.07066	1.3
71.01358	0.7
71.04983	1.3
73.02922	4.0
79.05489	4.4
81.03421	3.3
81.07057	5.4
83.04979	1.0
83.08613	1.6
83.16815	0.6
85.02903	4.9
85.06526	0.8
86.09714	1.4
87.21103	0.6
91.03949	3.6
91.05477	4.4
93.07048	5.0
95.04982	1.1
95.08597	2.6
97.02891	4.6
97.06520	0.8
99.04499	0.9
101.02368	2.1
105.07028	4.1
107.08584	2.4
109.10152	1.5
119.08613	3.6
121.10129	2.8
127.03909	1.6
129.06990	1.0
131.08545	1.6
133.10133	2.3
135.11662	0.9
145.10091	0.8
147.11674	1.9
149.09622	1.4
157.10197	0.8
159.11633	0.8
159.72852	0.7
161.13277	0.8
173.13210	0.7
184.07394	3.0
185.04286	0.8
186.05328	0.7
193.12311	1.0
243.08441	3.9
267.15790	0.9
283.15131	4.1
301.08948	1.9
315.10388	0.6
323.18234	1.0
339.17767	0.8
453.20560	1.1
465.20621	1.4
469.20328	1.0
501.16522	0.6
501.23077	10.5
535.28821	9.4
573.25433	1.3
667.31482	1.1
705.37463	1.8
709.32526	4.1
795.45178	100.0
796.45667	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	795.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.7
61.02934	5.9
63.35797	0.4
67.05508	7.2
69.03438	3.3
69.07063	0.8
71.01334	0.6
71.04992	0.7
73.02927	3.9
79.05507	2.6
81.03420	1.4
81.07066	3.9
83.08629	0.7
85.02917	4.6
87.04475	0.5
91.03960	4.1
91.05496	2.0
93.07052	3.0
95.08606	3.0
97.02899	4.8
99.04452	0.7
101.02390	1.1
103.03982	0.6
105.07036	0.7
107.08622	1.7
109.02910	0.8
109.10173	5.2
119.08598	1.1
121.10146	0.9
127.03943	1.3
133.10159	0.6
135.11713	0.8
145.05020	0.5
145.10181	0.7
147.11699	0.5
155.10609	0.5
159.59663	0.4
173.11783	1.3
185.04250	0.7
195.10007	1.2
229.14478	1.1
243.08412	2.1
335.25824	0.6
352.31021	0.4
413.17871	9.1
453.17206	0.5
490.15063	0.4
519.03552	0.5
519.29346	8.2
691.40314	100.0
692.40503	3.2
777.43555	0.7
795.44763	12.1
796.44171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.0
58.06597	0.7
60.07877	0.4
60.08164	6.5
61.08779	0.3
67.05487	0.5
71.07370	3.2
71.54996	0.4
78.36226	0.3
81.07039	0.4
86.09709	33.2
98.98469	3.8
104.10752	3.6
118.20898	0.3
125.00009	21.4
147.88702	0.4
184.07344	100.0
243.62175	0.3
386.86142	0.3
439.00812	0.3
699.24915	0.4
796.54810	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	797.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.8
62.37413	0.8
65.03927	1.2
66.99724	0.6
67.05495	2.4
68.99778	1.6
69.03438	7.1
71.01343	1.6
71.04999	19.0
71.54443	0.7
73.02924	1.6
74.58119	0.6
75.04484	1.7
77.03941	0.9
78.69067	0.7
79.05486	3.1
81.03418	0.9
81.07043	1.6
83.04986	6.2
85.02911	29.7
87.04477	1.8
91.04966	1.0
91.05487	11.4
93.03418	1.7
93.07038	1.3
94.04177	2.1
95.04968	5.7
95.08565	0.8
97.02882	1.4
97.06554	0.8
99.04447	1.9
101.06001	1.1
103.05478	9.0
105.03400	1.1
105.07042	8.1
107.04978	9.1
109.02887	0.8
109.06514	2.6
111.04449	8.2
113.06032	1.5
115.05453	5.9
115.30218	0.7
117.07027	3.6
119.04961	9.4
121.02879	0.9
121.06509	3.6
122.03668	5.1
123.04440	25.5
125.02370	1.7
127.03934	1.1
128.06248	1.2
129.05493	6.3
129.07016	5.0
131.04939	24.0
131.08560	1.7
133.02882	1.6
133.06508	9.6
135.04422	6.0
135.08070	2.8
136.05190	0.8
137.05986	100.0
138.06316	0.9
139.02931	1.0
139.03926	11.4
141.05428	0.8
141.06978	2.7
143.04918	3.9
143.08592	1.2
144.05748	1.5
145.06506	6.1
146.03610	1.1
147.04422	25.0
147.06424	1.1
147.08067	0.7
148.05113	1.5
149.05988	14.1
151.03935	11.0
151.07558	27.2
153.05583	1.1
153.06946	1.9
155.08539	1.8
157.06497	6.4
159.04436	4.8
159.06650	0.7
159.08044	1.2
160.05202	4.3
161.04622	1.1
161.05991	28.7
161.09599	4.5
162.06706	3.1
163.03915	30.5
163.07552	37.2
165.05498	8.1
165.06960	1.7
165.09143	6.9
167.07057	2.7
167.08456	1.2
169.06508	3.7
171.04419	5.2
171.08037	3.3
173.06042	1.7
174.06755	3.4
175.03984	4.5
175.07570	20.0
175.14793	0.6
176.04674	3.2
176.08171	0.8
177.05481	12.5
177.09100	7.6
178.06219	1.0
179.07056	10.9
179.10616	1.0
181.04950	2.0
181.06496	2.4
181.08644	5.1
183.06564	0.8
183.08066	2.3
183.10182	1.2
185.05966	2.5
185.09778	0.8
186.06915	1.0
187.03970	1.1
187.07591	5.7
189.05502	2.4
189.09117	23.4
191.07036	27.5
193.04980	9.5
193.06580	1.1
193.08580	4.1
195.06514	1.8
195.08232	1.3
195.10156	2.2
197.06026	2.9
198.06743	1.2
199.07555	7.5
201.05473	1.2
201.09062	4.5
202.06326	0.7
203.07034	11.9
203.08762	1.1
203.10706	2.0
205.04897	1.4
205.08571	5.8
207.06493	1.6
207.10190	16.4
209.05997	1.5
209.07863	0.8
211.07649	3.4
213.05533	1.2
213.09077	3.1
215.07071	5.1
215.10620	1.9
216.07700	0.7
217.08606	15.2
219.06425	1.0
219.10220	4.8
221.06131	1.3
221.08105	5.3
221.09787	0.7
223.07581	1.0
225.05502	1.7
225.09053	1.5
227.07024	1.7
227.10709	2.9
229.05008	1.1
229.08617	9.4
231.10190	4.4
233.08066	8.8
235.09697	2.6
237.09149	1.0
239.07074	2.6
241.08604	2.1
243.06522	1.3
243.10094	3.3
247.09633	2.0
249.11278	3.1
251.06923	0.8
253.08594	2.8
255.06471	1.1
255.10185	2.2
256.07285	1.0
257.08142	3.8
257.11774	0.8
259.09659	9.5
261.11322	1.8
263.09280	1.3
267.06464	5.6
267.09906	0.6
269.08212	0.8
271.06036	1.3
271.09717	3.7
273.07431	1.2
275.12817	2.6
277.10669	7.9
281.08224	2.2
281.11676	0.8
285.07620	1.9
285.11282	1.9
287.09180	6.2
287.12817	4.6
289.10809	4.1
291.08728	4.0
293.14087	1.3
295.11884	10.8
297.07623	0.8
297.11267	0.9
299.09183	27.2
299.12796	2.4
301.10812	1.8
303.08423	3.3
307.11801	17.5
311.09412	1.3
311.12784	4.3
313.14319	6.0
315.08774	1.3
317.10217	37.8
321.11478	0.8
323.12711	1.0
325.14084	0.8
329.10306	0.9
331.15421	13.6
335.12808	1.0
341.10193	1.0
341.13907	1.1
343.15411	4.0
355.15518	1.5
359.11288	1.3
367.15442	1.4
371.15009	1.1
383.11276	1.4
385.16391	0.9
409.12833	1.4
409.18304	1.9
411.19919	1.1
421.12714	2.1
423.18246	1.3
427.13834	2.4
433.13068	1.7
439.14117	1.2
441.18661	0.7
445.15015	3.2
451.13721	4.0
453.19601	0.8
459.19730	0.9
469.15036	3.1
499.19540	3.2
581.61646	0.7
765.23633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.2
59.05004	1.0
61.02923	1.2
61.97687	0.8
63.34156	0.8
65.03935	0.9
67.05490	1.7
68.99786	1.2
69.03430	7.5
71.01342	1.4
71.04995	19.8
71.54150	0.8
73.02905	1.6
75.04475	2.4
79.05502	3.7
81.03408	1.2
81.07066	1.2
83.04979	7.0
85.02908	31.4
87.04466	2.4
91.05476	11.6
93.03380	1.4
93.07069	1.6
94.04168	1.5
95.04952	6.0
97.02869	1.2
97.06541	1.3
99.04446	1.7
103.05458	10.9
105.07038	7.6
107.04961	8.5
109.06516	1.7
111.04453	7.1
113.05989	1.5
115.05430	4.7
117.07039	3.7
119.04954	10.2
121.06508	3.2
122.03637	4.5
123.04429	23.9
125.02387	1.7
128.06226	2.7
129.05493	6.9
129.06989	6.1
131.04926	20.2
131.08582	1.3
133.02864	1.3
133.06503	8.2
135.04431	7.7
135.08035	2.5
137.05977	100.0
138.06291	0.9
139.03903	11.6
139.04956	1.4
141.05394	1.1
141.06967	2.2
143.04884	4.5
143.08612	0.8
144.05707	1.2
145.06482	6.9
146.03563	1.3
146.07201	1.1
147.04410	24.6
147.06490	2.3
147.08032	1.5
148.05157	2.3
149.04916	1.3
149.05988	13.9
150.06752	0.8
151.03911	9.4
151.07539	29.3
153.05455	1.0
153.06969	1.8
155.04877	0.9
155.08501	0.9
157.06456	6.9
158.07228	1.0
159.04416	5.7
159.08067	2.0
160.05180	4.4
161.04631	1.4
161.05984	32.1
161.09618	4.9
162.06746	2.5
163.03912	33.7
163.07542	41.0
165.05481	8.2
165.06920	1.8
165.09111	5.3
167.04878	1.1
167.07074	3.0
167.08479	1.3
167.74590	0.7
169.06488	3.9
171.04451	3.2
171.08084	3.2
173.05975	2.3
174.06757	3.0
175.03957	3.6
175.07556	23.0
176.04677	2.5
177.05467	11.1
177.09096	8.3
179.07068	12.5
179.08588	1.5
181.04932	2.4
181.06396	1.6
181.08575	4.8
183.08087	3.5
183.10100	1.1
184.05196	1.1
185.06001	3.5
187.03867	0.9
187.07599	5.7
189.05490	2.9
189.09114	22.9
190.06210	1.2
191.07039	27.4
193.04926	6.5
193.06606	1.1
193.08519	4.2
194.07390	0.7
195.06459	1.8
195.08076	2.3
195.10150	2.0
197.05934	3.8
198.06892	1.1
199.07565	7.4
201.05457	1.4
201.09119	5.1
203.07011	11.1
203.10696	2.4
204.07782	1.2
205.04936	1.2
205.08574	6.2
207.06549	1.9
207.10181	19.7
211.07602	3.6
213.05502	1.5
213.09117	3.3
214.06363	1.0
215.07065	4.2
215.10757	1.5
216.07860	0.9
217.05215	1.0
217.08606	18.3
219.06543	1.1
219.10149	5.7
221.06097	1.1
221.08005	7.3
222.06752	1.1
223.07582	1.5
225.05476	1.6
225.09161	1.6
227.07104	2.1
227.10532	1.5
229.08595	8.4
231.10138	5.8
233.08038	9.4
235.09729	0.9
239.07086	3.4
241.08636	2.2
243.10202	3.0
245.08105	1.3
247.09702	2.2
249.11278	3.5
253.08672	3.3
253.12331	1.0
255.06395	1.1
255.10179	1.8
257.08084	4.8
259.09683	10.1
261.11234	1.2
267.06583	4.4
267.10120	0.9
271.09683	3.1
275.12796	2.6
277.10748	8.6
281.08273	1.8
281.11737	1.4
285.07669	1.2
285.11243	2.3
287.09198	6.6
287.12784	4.6
289.10776	4.2
291.08649	2.9
293.13901	2.0
295.11838	9.6
297.11227	1.2
299.09177	23.3
299.12811	2.9
300.10031	0.8
301.10840	2.2
303.08395	3.5
307.11758	17.1
311.09433	1.0
311.12747	3.0
313.14459	5.4
315.08871	1.2
317.10199	35.5
329.10126	1.3
331.15433	15.2
335.12585	0.8
341.13828	0.9
343.15460	4.6
345.09976	0.8
355.15723	0.8
367.15396	1.6
375.14777	1.0
409.12698	1.8
421.13058	1.4
423.17825	1.0
427.13879	3.3
433.12747	1.1
439.14075	1.0
445.15027	3.0
451.14059	3.3
463.15747	1.6
469.14969	3.0
499.19626	3.0
797.30280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
61.02930	5.1
65.03946	0.5
67.05511	5.1
67.38713	0.4
69.03445	3.2
69.07069	3.5
69.28665	0.4
69.90195	0.5
71.04989	0.7
71.52771	0.6
73.02925	4.0
79.05497	3.3
81.03423	3.9
81.07066	6.5
83.05009	1.0
83.08614	2.3
83.44947	0.4
85.02913	8.8
85.06580	0.4
87.04479	0.5
91.03975	4.5
91.05485	3.6
93.07051	4.0
95.01352	0.6
95.04977	1.2
95.08605	4.8
97.02889	5.1
97.06557	1.2
97.10191	1.6
99.04482	0.9
101.02371	1.9
103.03966	0.9
105.07032	4.2
107.04970	0.6
107.08613	3.1
109.02895	1.0
109.06493	0.5
109.10156	4.0
110.10622	0.4
111.04426	0.6
111.08117	0.8
117.07034	1.2
117.18468	0.4
119.08597	3.4
119.35198	0.4
121.10146	2.9
123.04425	0.5
123.08073	0.7
123.11755	1.0
125.09643	1.1
127.03922	2.2
129.06999	1.0
131.08591	1.3
133.10138	2.4
135.11685	2.2
137.09662	0.7
139.04022	0.7
141.01804	3.3
143.08617	0.6
145.04994	1.7
145.10158	1.3
147.11705	2.7
149.09677	0.5
149.13290	0.8
157.10167	1.4
159.02940	0.5
159.11787	1.5
161.13335	0.9
163.05977	2.2
163.14888	0.9
165.09239	0.6
165.12807	0.4
171.11711	0.5
173.11903	0.5
173.13304	0.9
175.11220	0.8
175.14978	1.2
177.16386	0.5
184.07401	0.7
185.04250	0.7
187.14848	1.6
189.16463	1.5
190.16783	0.5
191.17897	0.6
193.12352	1.7
201.16438	0.7
203.05435	0.5
203.18037	1.0
205.12395	0.4
205.15939	1.5
205.19510	0.5
207.17548	0.6
211.13411	0.6
215.14651	0.5
215.18054	1.4
233.19080	1.1
241.07079	0.5
243.08466	2.7
251.12694	1.2
307.15292	0.5
351.21475	2.6
407.24185	0.8
413.17831	0.7
423.36688	2.1
437.33850	0.4
441.37335	1.5
469.20471	10.6
499.22104	0.5
541.22168	0.4
569.29431	7.6
599.27417	0.5
657.21967	0.4
797.42944	100.0
798.43164	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	797.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.9
57.07084	3.5
57.80624	1.1
59.98392	1.2
61.02933	37.0
63.37222	1.2
65.03943	1.3
67.05513	11.5
69.03423	9.2
69.07076	19.7
70.47976	3.2
70.48318	1.4
71.01349	1.7
73.02926	15.2
79.05497	10.2
81.03410	5.0
81.07068	27.2
83.01304	1.4
83.08615	7.3
85.02914	61.2
91.03413	2.5
91.03966	44.5
91.05486	12.6
93.07053	25.2
95.01338	23.5
95.01894	2.6
95.04974	2.1
95.08618	51.4
97.02899	33.1
97.06548	2.1
97.10196	7.2
98.20821	1.4
99.00835	2.8
99.04450	3.4
101.02358	2.4
103.03946	5.1
105.07042	35.5
107.04922	1.9
107.08607	32.6
109.02888	2.6
109.06536	1.6
109.09464	2.6
109.10168	36.5
111.08112	2.6
111.11745	1.9
113.02369	5.3
115.03965	2.9
117.07040	8.2
119.08597	37.9
120.08942	1.3
121.10167	29.6
123.08060	3.6
123.11709	12.2
127.03934	27.8
127.81937	1.3
129.07043	2.1
131.03403	1.5
131.08592	18.8
133.10155	29.4
135.11703	24.5
137.09547	1.6
137.13263	7.9
139.03973	1.4
141.01843	100.0
143.08553	3.2
145.04977	30.3
145.10144	26.8
146.10750	1.5
147.11707	20.5
147.41290	1.2
149.09656	1.9
149.13286	17.3
151.11215	2.1
151.14832	1.4
157.10109	5.7
159.02937	18.2
159.11710	25.4
161.13277	18.5
163.06035	66.7
163.14816	10.3
169.10121	1.4
171.11700	5.9
173.13274	17.8
175.14856	19.1
177.03946	4.6
177.12816	2.0
177.16388	10.7
179.14250	3.3
184.07330	1.7
185.13303	5.3
186.14063	1.5
187.11276	1.9
187.14836	28.4
189.16411	21.3
191.14279	1.6
191.17966	29.9
193.15866	7.1
197.13229	2.5
199.14792	5.3
201.16403	19.9
203.17996	31.7
205.15919	23.9
205.19525	7.3
207.17514	11.4
213.16405	7.2
215.17984	46.7
217.15979	2.9
217.19498	10.1
219.17484	4.0
219.21123	2.0
221.18932	3.6
225.16444	1.8
227.17921	5.0
229.19571	8.8
231.17500	2.8
231.21138	3.0
233.19023	39.5
241.19615	3.1
243.21069	6.5
245.22725	2.0
247.20502	6.3
255.21074	6.0
257.22626	1.8
267.21103	2.7
269.22726	3.0
273.22104	1.8
274.31735	1.5
283.24408	2.7
285.06241	1.8
312.47302	1.4
321.08029	2.8
339.09268	4.4
393.35068	4.5
405.35172	30.9
406.35519	1.8
411.36386	4.3
423.36288	71.2
424.36487	4.8
425.38086	1.6
441.37317	35.5
442.37576	1.5
599.39410	3.6
699.34448	4.7
786.75635	1.5
797.43121	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	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
57.07074	0.3
61.02929	6.5
67.05508	5.7
69.03436	3.5
69.07078	1.3
70.76230	0.2
71.01357	0.6
71.24385	0.3
73.02924	4.5
77.69167	0.3
79.05499	3.8
81.03432	1.8
81.07063	5.5
83.04990	0.3
83.08623	0.6
85.02429	0.5
85.02907	6.3
87.04480	0.3
91.03962	3.4
91.05476	2.1
93.07048	4.2
94.79877	0.3
95.04980	0.5
95.08059	0.3
95.08610	4.1
97.02896	5.7
97.10180	0.3
99.04461	1.0
100.96408	0.2
101.02392	1.8
101.84820	0.2
103.03934	0.4
105.07047	1.6
107.08587	2.4
109.02895	0.9
109.06502	0.3
109.10156	1.7
115.03960	0.6
117.07008	0.4
119.08616	0.8
121.10131	1.7
123.11717	0.4
127.03946	1.5
131.08591	0.8
133.10124	0.9
135.11688	1.1
145.05006	0.3
145.10175	0.7
147.11751	0.4
149.13202	0.5
161.13348	0.3
163.49370	0.2
173.13335	0.3
182.31984	0.2
184.07442	0.8
185.04243	0.6
203.05205	0.4
243.08423	1.8
261.22324	0.4
329.06644	0.3
335.25833	0.6
519.29309	11.3
797.51746	100.0
798.51910	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	798.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
57.07072	1.9
57.45276	0.6
61.02933	19.0
65.03953	0.7
67.05507	11.3
69.03426	2.9
69.07066	6.8
71.01340	0.9
71.04996	0.8
71.53168	0.5
71.53545	0.7
73.02924	8.8
79.05502	2.1
81.03419	1.6
81.07059	12.1
83.08619	3.0
85.02913	35.0
91.03964	27.6
91.05489	3.3
93.07050	8.1
94.77175	0.6
95.01337	13.5
95.04942	0.7
95.08614	99.2
96.08937	0.8
97.02901	18.8
97.10176	2.2
99.00831	1.7
99.04487	1.6
101.02367	1.0
103.03945	2.9
105.07037	8.0
107.08601	11.7
109.03037	0.8
109.06544	1.2
109.10177	9.9
111.08120	0.7
113.02362	1.6
115.03937	1.8
117.05478	0.7
119.08582	9.8
121.06529	1.0
121.10152	8.5
123.08092	1.0
123.11726	7.2
127.03928	18.2
129.07004	0.6
131.03392	1.4
131.08583	2.4
133.06494	0.7
133.10127	8.0
135.11693	8.0
137.09628	1.6
137.13272	6.0
141.01839	52.6
143.08582	1.7
145.04970	18.6
145.10124	4.4
147.08058	1.6
147.11697	6.1
149.09575	0.6
149.13260	6.2
153.09129	1.2
157.10194	2.2
159.02904	14.5
159.08066	1.9
159.11717	4.7
161.09653	1.3
161.13274	4.9
163.06026	59.1
163.14833	1.7
169.10175	1.2
171.11736	2.3
173.09695	1.4
173.13313	3.5
175.14806	3.9
177.03970	4.7
177.12727	1.3
177.16418	2.1
179.14125	0.6
183.11745	1.0
185.09734	1.0
185.13271	1.4
187.14859	3.5
189.12793	2.5
189.16405	7.0
191.14349	0.7
191.17973	8.7
195.11707	0.6
196.86740	0.6
197.13330	1.1
199.14851	1.9
201.12753	0.8
201.16403	5.9
203.14301	7.1
203.17999	6.4
205.15932	1.7
205.19536	1.1
207.17422	0.9
211.14725	0.9
213.16460	1.9
215.14426	1.4
215.17899	2.9
217.15932	4.3
217.19545	1.2
219.17427	0.8
221.15088	0.7
227.18045	1.3
229.15921	2.7
229.19585	2.6
233.15382	1.9
237.16374	1.1
239.18008	0.8
241.15840	0.8
241.19566	1.3
243.17485	1.2
245.19107	1.4
247.16998	0.9
251.17883	1.1
253.19456	0.9
255.17377	2.9
255.21040	0.9
257.19098	2.9
269.19003	1.1
269.22626	1.1
271.20648	1.3
273.05878	0.7
283.20657	1.2
285.06180	1.5
297.22064	0.8
303.07184	1.2
311.23773	0.9
313.25275	7.4
321.08188	3.2
339.09216	4.4
379.33585	1.5
389.31982	5.1
407.33118	100.0
408.33475	2.1
425.34155	35.0
426.34399	1.1
560.03082	0.7
581.86945	0.6
798.43256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.04998	0.4
61.02933	2.0
65.03943	0.2
67.05527	0.2
68.99790	0.4
69.03432	15.1
69.51913	1.1
71.01339	0.5
71.04999	3.9
73.02907	0.7
81.03408	1.8
81.07045	0.2
83.04987	7.4
83.92942	0.2
85.02908	10.4
87.04472	3.6
91.03959	0.4
95.04977	1.0
97.02894	3.2
99.04455	0.6
107.04971	0.3
109.02899	1.1
111.00790	0.5
111.04445	6.9
113.06014	0.5
115.03906	0.3
121.02875	1.7
123.08042	0.2
127.03922	1.8
129.05489	13.9
133.02835	0.2
137.02335	0.4
137.05997	0.5
139.03926	0.2
145.04967	1.8
145.06068	0.2
145.06540	0.2
147.04385	0.4
151.03902	0.4
151.07594	0.2
153.01837	2.6
165.01804	1.1
171.06563	0.4
173.08105	0.4
179.07071	0.2
183.02890	0.6
185.06012	0.3
189.07588	8.3
211.16788	0.2
213.05450	0.7
231.06543	0.5
231.25693	0.2
237.07550	0.2
241.05016	0.5
255.08751	0.4
258.05170	0.9
259.06155	0.4
273.09702	0.2
287.05505	100.0
288.05875	1.4
322.69180	0.2
329.06476	0.4
351.13046	0.2
360.67776	0.2
411.19922	1.9
412.20471	0.2
449.10724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2295
Annotation	Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03443	0.9
59.04982	0.2
61.02942	2.5
68.99799	0.3
69.03437	14.8
69.22973	1.3
71.01344	0.4
71.05003	3.6
73.02895	0.6
81.03424	1.0
83.04992	6.9
84.71885	0.2
85.02913	9.2
87.03994	0.2
87.04476	2.8
91.03954	1.0
95.04974	0.9
97.02905	2.8
99.04464	0.7
105.03394	0.2
107.04926	0.3
109.02914	1.0
111.00798	0.6
111.04453	7.0
113.06004	0.4
115.03969	0.3
117.71340	0.1
121.02875	2.0
121.03737	0.3
123.04420	0.2
125.02383	0.2
127.03929	1.7
129.05493	13.8
133.02846	0.4
133.04982	0.3
137.02330	0.6
145.04994	1.5
147.04453	0.3
153.01840	2.5
157.06473	0.2
163.06010	0.3
165.01874	1.4
171.06532	0.3
173.08090	0.4
175.03770	0.2
183.02876	0.6
185.05870	0.3
189.07603	8.9
203.17195	0.2
213.05518	1.0
231.06538	0.6
237.07652	0.2
241.04951	0.4
255.08691	0.6
258.05362	1.1
259.06042	0.4
269.04565	0.2
273.09686	0.3
287.05524	100.0
288.05786	1.6
303.05032	3.4
329.06775	0.4
353.06277	0.2
411.19928	23.7
412.20557	0.3
449.10727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.1
61.02926	3.3
65.03937	2.4
65.38647	0.8
67.05172	1.4
67.05510	20.7
69.03428	18.1
69.07075	6.2
69.36375	5.3
69.36797	1.6
71.01337	1.4
71.04995	7.9
73.02921	1.6
77.03889	0.7
79.05119	0.5
79.05492	22.7
81.03420	100.0
81.07059	25.5
82.03732	0.9
83.04979	20.9
83.08141	1.4
83.08623	20.8
85.02426	1.4
85.02910	21.2
85.06567	2.4
91.05486	27.1
93.07054	15.7
95.04971	28.6
95.08621	10.6
97.02898	21.9
97.06542	7.9
97.10178	7.5
99.04475	4.9
99.08086	1.1
103.05477	2.2
105.04559	1.0
105.07032	21.2
107.04971	9.4
107.08602	10.2
109.02886	15.5
109.06523	5.5
109.10164	3.4
111.04454	10.5
111.08088	9.5
113.06011	1.5
115.05450	1.9
117.07026	3.8
119.04943	1.6
119.08590	16.6
121.06507	4.5
121.10132	9.3
123.04425	3.3
123.08086	2.4
123.11711	2.6
125.09644	5.1
127.03918	13.6
129.05492	3.5
129.07013	12.7
131.04921	1.5
131.08559	11.8
133.06508	3.5
133.10147	9.9
135.04440	1.0
135.08086	2.6
135.11700	2.5
137.05998	2.4
137.09598	2.5
139.03860	0.8
141.06972	1.1
142.07794	2.5
143.08577	2.1
145.05002	1.2
145.06496	2.9
145.10117	4.4
147.04410	1.3
147.08095	4.0
147.11696	18.5
149.05960	2.0
149.09621	6.1
151.03996	1.2
153.12773	1.9
155.08464	0.9
157.06476	1.4
157.10150	13.9
159.11685	1.3
161.06010	1.5
161.09618	1.6
163.11212	4.2
165.09190	1.5
165.12761	5.8
171.08054	1.5
171.11627	1.9
173.04530	7.2
173.05933	1.1
173.09644	2.2
175.11203	13.6
177.05585	0.9
181.12245	2.2
183.06534	1.5
183.08070	0.8
183.13875	0.9
185.09657	0.8
189.05428	1.0
189.11183	1.1
189.12796	1.4
191.10641	1.9
193.12247	35.2
195.13884	1.2
199.11240	1.1
205.12131	0.9
211.13293	49.6
213.14891	1.2
219.70494	0.8
223.13274	0.8
225.57166	0.8
227.12627	4.5
229.14340	4.6
231.13991	1.2
233.15312	1.4
235.13286	1.4
237.12753	1.0
249.14874	3.0
253.07089	1.5
255.13922	1.3
259.13358	1.2
267.09152	1.8
267.15924	24.7
271.08243	1.1
273.14868	2.9
277.14285	1.2
283.15460	2.0
283.67621	0.8
285.10083	3.1
285.17020	21.4
285.20181	1.0
289.14294	1.4
291.15936	0.7
301.14215	5.5
303.15942	1.4
309.17093	1.2
313.16473	1.2
319.15332	3.6
324.11429	1.4
324.61746	0.8
337.16458	4.4
351.18024	1.0
355.17514	6.0
367.22650	2.3
375.18066	2.2
385.23581	3.7
393.19296	3.9
403.24652	1.3
411.20096	6.4
429.21313	14.7
431.27719	0.9
433.25571	1.0
438.18243	1.7
438.68506	1.1
459.27356	17.8
477.28543	21.0
477.35428	1.7
478.28738	0.9
495.29532	16.3
499.21774	1.1
501.28799	1.2
519.29706	1.9
525.05304	0.8
543.29614	1.9
561.31055	1.5
567.29291	1.8
573.30499	1.7
585.30408	5.5
603.31921	8.5
621.32629	18.6
622.32861	1.2
639.22986	1.4
639.33710	27.8
640.33057	0.9
747.36005	1.0
765.36670	2.2
783.37921	10.2
801.39246	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90910	1.5
57.03444	10.3
57.07066	1.6
57.09220	1.6
61.02922	1.9
62.06086	3.9
67.05513	44.8
69.03439	3.8
69.07085	9.4
71.05003	2.3
73.02893	1.5
79.05498	25.6
81.03429	63.3
81.07070	44.4
83.04978	5.4
83.08625	17.7
85.02922	3.3
85.06526	1.9
90.41226	1.4
91.05490	24.5
93.07057	37.1
95.04984	20.2
95.08619	27.9
97.02892	4.3
97.06543	3.4
97.10177	5.4
99.08138	2.0
103.05487	1.8
105.07044	19.4
107.04971	4.4
107.08610	17.8
109.06527	4.2
109.10176	15.2
111.08083	6.5
117.07027	6.2
118.26968	1.5
118.75402	1.7
119.08596	16.5
121.06508	3.1
121.10152	16.8
123.08084	2.2
123.11722	4.9
125.09636	3.1
129.07005	6.4
129.47781	1.3
131.08600	13.8
133.06485	1.5
133.10179	11.0
135.08087	1.9
135.09224	1.4
135.11711	12.3
137.09630	2.7
137.13266	1.6
138.63503	1.3
140.09822	1.4
142.07777	1.9
145.10143	5.9
147.08133	3.0
147.11703	10.3
148.83051	1.4
149.09581	2.9
149.13263	3.5
157.10179	8.4
159.11716	4.7
161.13260	4.7
163.14825	5.2
165.12801	1.7
173.13274	4.2
175.11221	9.2
175.14856	2.3
177.12683	2.0
177.16408	1.8
181.30609	1.4
183.11642	1.4
187.14868	2.7
189.11218	1.7
193.12288	19.3
200.96910	1.7
211.13194	1.8
222.58775	1.5
227.12947	3.0
233.22961	1.7
243.21069	7.4
249.14729	2.6
261.22153	20.0
267.15942	100.0
279.23224	2.1
301.25201	5.3
317.24872	3.1
335.25818	86.9
354.07928	1.4
421.25934	1.6
432.24628	2.4
435.27353	1.8
435.32541	6.1
435.60117	1.6
453.33960	8.1
471.34674	3.8
527.37396	64.6
528.37830	3.1
545.38397	53.8
559.39612	1.6
569.38269	2.4
590.43146	1.7
648.35327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.3
57.06832	3.6
57.07080	51.2
63.76298	3.1
65.03952	3.3
67.05508	55.6
69.03425	8.0
69.07068	27.6
71.04951	3.6
71.08640	31.9
71.45373	5.0
79.05491	35.8
81.03413	11.0
81.07056	76.8
83.04971	7.1
83.08642	18.9
85.02908	4.6
85.06554	4.5
85.10176	14.8
85.16212	3.3
86.52953	3.4
91.05483	37.8
92.91349	4.0
92.92033	3.2
93.07042	44.6
95.04964	8.7
95.08620	44.8
97.02911	5.1
97.06524	10.7
97.10179	11.2
99.08073	3.9
105.07038	23.8
107.04974	6.8
107.08594	25.4
109.06477	4.8
109.10140	21.0
111.08093	3.9
111.11726	3.6
117.07020	15.6
119.08591	18.5
121.06481	4.2
121.10136	13.0
123.08053	3.7
123.11674	7.3
127.03909	5.1
129.07045	4.8
131.08566	12.6
133.10138	16.9
135.08078	7.4
135.11678	11.3
145.10124	10.7
147.11674	10.3
149.09607	9.5
149.13231	7.0
159.11700	11.6
163.11234	7.7
173.04333	3.1
173.13271	6.0
177.12746	4.1
184.07333	4.9
195.13857	4.9
217.59912	2.9
227.12730	3.2
231.94547	3.6
239.23709	5.1
255.15852	16.7
257.18951	7.4
257.24924	4.2
269.17493	37.6
275.20044	28.4
313.27377	100.0
349.23669	28.2
367.24606	7.5
493.38672	20.2
507.33365	5.7
507.40494	98.4
547.43658	3.7
587.46600	33.4
605.47748	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	804.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.3
57.07065	1.4
59.05010	6.5
59.19096	1.0
61.02924	4.9
65.03939	1.5
67.05514	69.2
69.03429	3.4
69.07078	10.7
69.36197	4.8
69.36617	4.4
71.01362	2.3
71.05011	6.7
71.08626	1.3
73.02924	4.6
79.05062	2.5
79.05496	31.6
81.03429	18.5
81.07067	39.6
83.01363	6.4
83.04985	15.3
83.08629	17.9
85.02919	16.9
87.04469	3.7
91.03931	2.8
91.05492	26.2
93.07056	32.3
95.04984	10.5
95.08611	12.3
97.02915	5.9
97.06541	8.1
97.10186	13.8
99.04459	3.3
103.03925	1.5
105.07038	13.4
107.04974	10.0
107.08604	22.1
109.06535	10.7
109.10168	48.1
111.04451	4.1
111.08073	4.7
113.57374	1.1
115.05470	1.8
117.07040	10.1
119.08592	13.0
121.06505	4.0
121.10146	10.7
123.08070	8.9
125.05995	2.7
125.09666	13.1
127.03925	1.5
129.05487	2.5
129.07005	1.5
130.07774	2.2
131.08574	7.0
133.10144	3.3
134.09288	1.4
135.08072	2.9
135.11687	12.8
137.09619	3.8
139.07552	1.5
139.76631	1.3
143.10692	2.2
145.10130	17.6
147.08029	2.8
147.11679	1.8
149.09671	1.6
151.11169	1.3
153.12740	7.1
155.08620	2.4
155.10701	2.0
157.10110	1.6
159.88916	1.3
163.11198	32.6
164.38396	1.1
165.09097	1.5
173.09636	2.3
173.10315	1.4
173.11766	14.3
181.12256	6.7
191.10698	5.2
193.12254	2.6
199.13358	6.7
209.11758	14.4
211.13333	1.3
227.12843	13.1
229.14380	50.3
251.10397	1.2
267.15894	3.5
275.20248	1.4
283.15421	100.0
284.15985	2.0
301.16470	14.6
311.14960	1.6
399.23862	13.7
407.24115	2.6
425.25623	8.2
437.25388	39.7
475.27081	2.3
509.27679	8.9
527.28479	2.9
607.34906	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.1
65.03940	4.6
67.05510	56.7
69.03423	7.3
69.07079	13.3
71.01360	2.2
71.04991	7.0
79.05493	39.4
81.03425	67.3
81.07066	52.7
83.04989	15.7
83.08624	18.9
85.02911	5.0
85.06544	3.4
91.05486	53.7
93.07052	35.9
95.04985	24.3
95.08613	21.7
97.02914	3.4
97.06531	7.5
97.10183	5.8
99.04453	2.0
105.07041	43.3
107.04962	12.4
107.08607	32.3
109.06511	7.7
109.10166	49.9
111.04427	2.5
111.08094	6.3
112.97130	1.5
115.05492	3.5
117.07034	9.9
119.08598	23.1
121.06517	8.7
121.10163	11.5
123.04436	2.0
123.08079	4.3
123.11695	7.9
125.09624	4.9
127.03845	1.8
127.07594	2.8
129.07031	11.0
131.08557	16.4
133.06511	6.1
133.10144	64.1
135.08034	7.0
135.11711	6.3
137.09621	3.3
139.07553	1.8
142.07831	2.7
143.08572	5.6
145.06577	2.6
145.10083	11.6
147.08063	6.7
147.11694	9.2
149.09602	7.3
151.11212	28.5
153.08954	1.8
157.10123	11.9
159.08078	4.0
159.11736	3.2
161.09634	5.0
161.13269	2.4
163.11189	8.0
169.09991	2.0
169.12267	3.5
171.11664	3.1
173.09631	2.7
173.11815	4.0
175.11208	11.0
179.10658	3.5
189.11317	2.0
193.12274	16.5
209.11737	2.3
213.12756	3.0
215.12735	4.1
223.13304	2.7
224.95120	1.9
227.12776	5.6
227.17940	2.0
229.14381	10.5
245.18924	2.0
253.14374	100.0
258.45551	1.9
263.20035	3.6
267.15964	59.3
273.18533	16.6
283.15457	15.6
287.20087	7.3
291.19540	17.0
301.16531	2.9
347.22235	5.6
365.23282	35.7
421.25839	2.7
437.25400	4.5
445.25964	20.9
447.28748	2.7
463.26971	20.4
465.29877	3.9
483.30777	5.1
539.33759	16.1
557.34790	99.4
575.35822	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	804.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.4
57.07082	28.5
61.02909	2.3
62.93480	1.0
67.05511	36.8
68.05830	1.0
69.03438	6.4
69.03767	1.1
69.07080	14.4
69.79501	1.0
70.16763	1.1
70.83836	1.1
71.04984	2.6
71.08640	28.4
71.33243	1.1
71.33590	1.4
73.02934	1.8
79.05497	20.8
81.03413	6.4
81.07061	39.8
82.07372	1.2
83.01957	1.2
83.04985	6.8
83.08627	14.0
83.32175	0.9
85.02914	3.1
85.06522	3.6
85.10190	15.2
86.09716	2.1
89.06040	1.4
91.05495	13.6
93.06480	1.9
93.07050	26.4
95.04957	3.8
95.08614	28.4
97.02894	3.0
97.06541	3.9
97.10178	5.6
99.04430	2.0
99.08102	6.6
105.07057	9.4
107.04956	1.7
107.08602	12.7
108.09090	1.2
109.06518	1.6
109.10164	11.6
111.08083	3.0
111.11665	1.2
115.05505	1.1
117.07001	5.7
119.08593	5.4
121.06528	1.7
121.10149	8.2
123.08104	1.5
123.11710	4.6
125.00015	2.1
125.09561	2.5
127.03924	2.9
129.05492	1.7
129.06932	1.4
131.08553	4.1
133.10133	7.5
135.08006	2.2
135.11687	5.7
145.04948	2.5
145.10155	2.3
147.11679	3.5
149.09599	1.3
149.13293	8.9
151.11186	9.0
159.11716	5.5
161.13300	2.9
163.11197	4.8
171.11685	1.7
173.11720	1.1
175.14687	1.3
177.12732	3.6
179.14297	2.7
184.07339	7.4
195.13835	5.8
227.12769	3.7
239.23770	3.2
241.19682	1.2
253.17674	1.2
259.20636	4.5
269.17508	42.4
277.21628	7.5
294.21436	1.4
303.15829	1.6
313.27380	64.7
314.27557	1.4
333.24399	1.5
339.18079	1.7
351.25302	15.8
369.26483	1.5
371.16602	1.3
413.21475	2.9
467.37137	1.7
486.30725	1.3
507.11798	1.3
507.40497	100.0
508.40463	3.8
589.48267	15.7
607.49091	2.2
627.41040	1.4
633.42181	1.5
651.44507	3.3
784.56512	1.3
804.55438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
57.07079	3.3
61.02927	2.6
65.03953	0.9
67.05508	14.4
67.05875	0.7
69.03431	28.9
69.07072	10.0
70.06578	0.4
71.01347	2.2
71.04999	4.8
71.08624	0.7
73.02918	1.2
77.03921	0.5
79.05497	4.9
81.03421	100.0
81.07059	23.0
82.07367	0.3
83.04993	1.0
83.08620	4.2
85.02910	10.4
85.03427	0.6
91.05482	6.6
93.07049	14.1
95.01333	2.2
95.04964	1.3
95.08609	94.4
96.08952	0.5
97.02895	25.4
97.06519	0.9
97.10163	3.4
99.04458	15.6
101.02339	0.4
103.03920	0.5
105.07033	12.1
107.04959	1.1
107.08596	18.6
109.02884	16.8
109.06520	1.8
109.10159	16.8
109.10910	0.7
111.04434	1.7
111.08131	0.5
111.11735	0.7
113.02371	3.3
116.06293	0.4
117.06983	1.7
119.08587	17.0
121.06520	1.4
121.10146	14.9
123.04431	0.5
123.08096	2.7
123.11715	10.2
123.12575	0.7
127.03922	23.0
129.07027	0.9
131.03412	1.2
131.08565	4.6
133.06511	1.1
133.10141	12.3
135.08063	1.3
135.11693	10.5
135.12697	0.6
137.02357	1.9
137.09615	2.5
137.13263	14.7
139.03900	0.5
141.01836	7.0
141.05469	0.9
141.07018	0.6
142.07790	0.7
143.08572	2.5
144.09311	0.5
145.04974	2.4
145.06519	0.6
145.10126	9.3
147.08060	3.2
147.11693	9.8
149.09637	1.2
149.13261	10.6
151.07559	0.6
151.11113	0.8
151.14833	1.4
153.09103	2.5
155.03313	0.5
155.08559	0.9
156.09348	0.5
157.10129	4.4
158.10905	0.8
159.02911	2.1
159.06726	0.6
159.08046	3.4
159.11708	6.3
160.12480	0.5
161.09644	2.8
161.13263	6.6
163.07591	0.6
163.11191	0.8
163.14822	3.6
165.12830	0.5
165.16539	0.4
167.10716	0.4
169.01355	0.5
169.04974	0.7
169.08810	0.6
169.10109	2.1
171.08098	0.6
171.11700	2.8
172.12531	0.7
173.09613	2.2
173.13278	5.2
174.10452	0.4
175.11169	2.5
175.14828	6.0
177.12831	1.8
177.16388	4.4
179.14325	1.6
181.04964	3.7
183.11655	0.8
185.09705	1.0
185.13251	2.5
187.02469	1.8
187.06018	20.7
187.11185	2.0
187.14812	7.3
189.12756	4.0
189.14677	0.7
189.16388	8.3
191.14337	1.6
191.17963	9.8
191.19586	0.7
193.04997	1.2
193.15930	1.6
195.11772	1.2
197.13300	1.6
199.11232	0.6
199.14838	3.2
200.02968	0.4
201.12766	1.3
201.16411	8.3
203.14345	14.6
203.17955	12.1
205.03467	3.0
205.07147	1.7
205.15851	3.3
205.19510	2.1
207.13809	0.7
207.17413	0.5
209.13284	0.8
211.06100	0.8
211.14909	1.5
213.12704	0.8
213.16399	2.9
215.14359	2.3
215.17896	4.4
217.15892	6.2
217.19423	4.0
219.13936	0.5
219.17451	0.9
221.15358	0.5
222.14067	0.4
223.14795	0.6
225.16331	1.7
227.14398	0.8
227.17952	2.8
229.15897	8.0
229.19370	3.0
231.17436	1.5
233.15366	4.7
237.16486	1.4
239.14571	0.4
239.17998	1.1
241.15958	1.3
241.19496	1.8
243.17438	2.2
243.21187	1.1
245.19038	2.2
247.16951	2.0
251.18039	1.2
253.19591	1.6
255.17500	3.7
255.21080	3.5
257.19022	5.8
257.22571	0.6
259.20612	0.5
265.19565	0.6
267.21255	0.8
269.19070	2.9
269.22675	1.8
271.20609	2.8
271.24216	1.1
273.18558	0.9
275.20145	0.9
279.21216	0.6
281.22668	0.5
283.20624	3.6
283.23972	1.0
285.06091	1.3
285.22052	1.0
287.19907	0.7
293.22653	0.7
297.22195	1.4
301.21609	0.6
303.07318	0.7
309.22119	0.6
311.23737	2.3
313.25281	6.1
323.23972	0.4
325.25116	0.7
337.25336	1.0
363.09219	18.9
365.28027	0.5
365.32159	1.1
379.33691	2.7
381.10239	6.1
389.32019	5.9
397.34766	1.1
407.33099	93.1
408.33401	2.4
425.34164	21.3
426.34735	0.6
611.11304	0.4
785.44031	0.4
805.43817	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	806.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	23.5
57.07062	2.0
59.05000	4.1
60.31163	1.2
61.02924	5.6
65.03949	4.0
67.05511	100.0
67.41805	1.1
69.03446	9.2
69.07070	18.6
69.20615	1.1
69.85110	4.3
69.85535	2.2
71.01363	2.1
71.04998	8.1
73.02921	4.8
77.03934	1.6
79.05500	42.8
81.03425	84.0
81.06583	2.9
81.07066	54.1
82.03777	1.3
83.04989	20.8
83.08624	35.0
85.02912	33.8
85.06554	4.1
86.09651	1.1
87.04467	5.8
91.03957	1.6
91.05489	49.2
93.07054	29.9
95.04976	32.7
95.08619	22.3
97.02890	8.6
97.06530	8.8
97.10174	17.3
97.10793	1.8
97.47793	1.3
98.21391	2.2
98.27095	1.1
99.04457	1.5
99.08092	2.0
103.05497	1.7
105.04506	1.5
105.07045	30.0
107.04971	13.1
107.08608	18.7
109.06503	8.4
109.10166	59.6
111.04482	3.9
111.08087	14.3
113.06029	3.5
115.05469	2.7
117.07046	6.4
119.08584	28.9
119.09364	2.2
121.06513	3.7
121.10157	12.0
123.04436	1.4
123.08056	5.8
123.11762	2.6
125.09639	15.3
127.07512	1.4
129.05511	4.8
129.07022	12.3
131.08577	16.3
133.06526	3.8
133.10147	19.0
135.08054	2.3
135.11693	4.8
137.09621	5.1
142.07767	2.1
145.06398	1.5
145.10153	7.3
147.08069	4.7
147.11705	19.4
149.09605	10.1
151.11244	2.2
153.12770	3.4
155.10683	3.9
157.10114	15.3
163.11165	8.9
165.12785	3.9
173.09604	2.0
173.10353	1.6
173.11763	18.6
173.13179	1.8
175.11186	17.1
181.12253	2.6
189.11339	2.1
191.10728	2.1
193.12262	59.6
199.13307	5.6
209.11665	7.6
211.13321	81.9
217.14337	1.2
227.12811	10.6
229.14363	62.0
249.14845	2.4
257.13928	1.3
260.67050	1.4
265.14325	1.3
267.15958	28.5
267.18634	2.5
283.15451	6.9
285.16983	65.4
301.16470	14.3
399.23883	19.6
409.25827	4.1
421.25790	15.5
423.27304	1.9
427.26776	2.8
439.26974	51.0
440.27527	1.2
459.27505	1.4
475.27188	1.7
493.28046	7.1
511.29178	12.0
529.29742	1.9
591.35083	2.5
609.36444	43.8
642.39709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	23.8
57.07074	4.4
59.04995	4.0
59.20246	1.3
61.02930	8.4
65.03945	4.3
67.05505	100.0
69.03429	13.1
69.07069	59.7
69.07457	2.0
71.01347	2.9
71.05002	7.3
71.40261	2.8
73.02922	6.9
78.04720	1.3
79.05495	63.5
80.06237	1.7
81.03420	29.9
81.07060	69.5
82.04207	4.5
83.04989	17.5
83.08623	20.8
85.02908	14.8
85.06546	5.4
87.04453	1.6
89.96346	1.2
91.03957	3.0
91.05482	71.5
93.07045	58.1
94.04176	1.4
95.04967	27.1
95.08610	51.1
96.05747	2.1
97.02895	10.1
97.06534	23.2
97.10178	21.0
98.07318	5.8
99.04463	3.0
99.08098	3.6
101.02364	1.2
101.06008	1.5
103.05454	2.1
105.04530	2.3
105.07030	46.2
107.04970	15.1
107.08595	33.1
109.02887	2.5
109.06537	6.1
109.10158	52.6
109.19141	1.3
111.04450	4.0
111.08081	10.5
115.05468	3.5
116.04727	10.9
117.05486	1.3
117.07017	17.6
119.04969	2.0
119.08590	34.6
121.06524	8.5
121.10152	20.2
123.08074	14.7
123.11714	3.0
125.06018	1.6
125.09626	25.0
127.03923	4.4
127.11129	1.5
128.06201	1.9
129.05493	24.3
129.07004	10.5
131.08578	22.8
133.06480	3.1
133.10139	34.9
135.08073	7.6
135.11693	13.5
137.06029	1.6
137.09627	19.1
139.07524	1.9
139.11235	2.3
141.07004	1.8
142.07751	2.1
143.07069	4.8
143.08563	5.4
143.10670	2.2
145.06522	2.4
145.10135	16.5
147.08051	5.7
147.11691	17.6
149.09621	22.8
149.13261	3.7
151.11214	4.8
153.09134	1.8
153.12709	1.5
155.08595	1.9
155.10646	2.3
157.08624	11.1
157.10136	11.1
158.05746	1.7
159.08102	1.6
159.11703	11.4
161.09660	4.1
161.13280	6.0
163.11201	17.1
165.09076	2.2
165.12775	2.6
167.10699	1.5
169.10141	2.8
171.06628	2.1
171.10191	6.9
171.11710	3.8
173.09599	2.9
173.11752	14.2
173.13258	4.5
175.11148	9.0
177.12758	5.1
179.10622	1.3
179.14322	3.0
181.12204	1.8
183.11732	3.0
184.07333	2.4
185.11737	1.6
185.13257	2.4
187.11191	2.6
187.14792	1.4
189.11256	8.5
189.12729	2.5
191.10628	3.4
193.12263	13.9
195.13742	2.2
197.13420	1.9
199.09570	2.2
199.13312	8.6
200.14069	1.5
201.14836	1.4
209.11687	6.4
210.12515	1.7
211.13284	12.5
213.11263	1.7
223.13319	4.6
225.11307	1.5
227.12752	14.2
229.14348	20.4
229.19383	1.6
239.18022	2.2
245.13614	1.7
247.20549	3.1
253.14355	5.3
253.17953	1.5
255.15814	6.0
257.18991	5.4
263.20148	1.5
267.15881	14.7
269.17505	2.0
273.18469	7.4
274.19147	1.7
275.20090	30.7
279.16171	1.4
283.15491	8.0
285.16843	6.3
291.19528	13.3
293.21191	3.7
301.16458	55.0
309.17386	1.3
326.24515	1.6
331.22620	1.5
347.22464	1.4
349.23737	40.5
365.23257	5.0
383.24210	3.7
397.22131	4.7
409.25790	1.9
421.25870	1.8
437.25143	1.4
439.27243	6.6
455.26465	10.6
469.27826	1.6
479.29880	6.2
541.35120	3.1
557.34290	3.0
559.35986	1.8
575.35815	30.3
591.34698	2.1
593.36267	6.6
609.36365	3.9
806.44958	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	806.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.2
57.03444	21.9
61.02920	2.5
65.03934	3.9
67.05512	91.7
69.03436	14.5
69.03750	2.6
69.07077	28.7
71.05002	11.3
71.53616	3.1
73.02927	3.4
79.05500	70.1
81.03426	98.6
81.07066	89.5
83.04996	21.3
83.08627	34.5
85.02908	14.4
85.06552	6.5
91.05492	59.9
93.07053	67.4
95.04975	40.5
95.08052	3.8
95.08617	38.8
97.02901	9.7
97.06556	18.0
97.10181	19.7
102.75795	2.0
105.07040	49.0
107.04965	17.2
107.08607	42.6
109.02893	4.9
109.06520	11.2
109.10173	28.3
111.04419	5.8
111.08083	11.8
117.07024	21.7
119.06163	2.1
119.08595	38.3
121.06503	9.4
121.10155	27.2
123.04457	2.8
123.08073	5.9
123.11707	4.4
125.09648	18.3
127.03906	3.1
128.06244	5.2
129.05504	3.9
129.07030	20.7
130.07837	2.5
131.08583	35.7
133.06505	7.6
133.10144	28.9
135.08054	7.3
135.11705	20.5
137.05971	5.3
137.09612	6.5
141.06996	4.0
142.07790	4.5
143.08582	9.6
145.06490	5.7
145.10158	20.8
147.08044	12.0
147.11713	22.3
149.09634	19.8
149.13266	9.5
151.11218	4.3
155.08595	8.4
157.10100	18.0
159.08041	5.0
159.11678	12.1
161.09639	5.2
161.13268	4.1
163.11206	16.1
165.12782	4.1
169.10112	3.2
171.11691	4.9
173.04477	4.3
173.09529	4.0
173.11798	4.2
173.13257	4.3
175.11169	14.0
177.12740	4.1
181.12212	3.5
183.11633	5.5
189.11270	6.8
193.12270	28.2
195.11884	2.4
195.13734	4.7
201.12883	2.3
201.16370	2.7
203.14357	3.9
205.12251	3.2
209.11789	5.2
211.11436	2.7
211.13210	10.6
215.14491	2.3
217.15865	3.3
227.12727	15.9
229.14360	11.4
245.13690	2.3
249.14917	2.9
253.14366	2.6
255.15852	17.3
257.18988	6.3
267.15936	89.1
269.15305	2.5
269.17575	25.6
273.18463	2.9
275.20090	23.0
283.15482	4.0
285.17010	7.9
291.19586	8.2
293.21057	3.0
301.16873	3.2
315.23343	2.6
349.23859	24.6
351.23026	2.7
365.23251	2.4
367.24826	4.9
369.24091	3.6
373.23505	2.6
374.92789	2.2
387.25214	3.8
408.33157	2.8
419.24344	2.8
421.25806	8.2
429.26486	3.4
435.27704	2.9
437.25586	4.5
439.26743	5.3
443.27988	11.0
447.27396	36.9
449.30386	2.7
459.27164	4.3
461.29053	100.0
462.29279	3.9
467.31982	2.4
477.28357	3.3
493.32135	14.4
501.32053	4.7
511.29095	5.7
523.33868	4.6
541.35333	64.3
559.36371	27.3
587.32031	3.0
591.38879	3.3
609.36298	4.7
806.45020	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	806.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.0
57.07070	1.3
60.08161	1.3
61.44174	0.6
65.03928	1.7
67.05505	28.9
69.03433	0.6
69.06722	1.1
69.07070	13.2
69.25153	1.7
69.25552	4.8
71.05009	1.3
79.05496	21.1
81.03418	3.0
81.07056	31.0
83.04993	3.7
83.08620	4.6
85.06543	1.3
86.09713	6.5
91.05486	24.0
93.07046	24.3
95.01331	2.7
95.04984	3.2
95.08607	21.6
97.06522	8.0
97.10185	1.4
98.20788	1.2
104.10730	0.7
105.07030	27.1
107.04957	6.9
107.08595	15.0
109.06506	2.2
109.10164	7.0
111.08090	1.5
111.53923	0.6
117.07028	8.4
119.08583	17.4
121.06517	1.6
121.10146	8.7
123.08044	1.7
123.11725	0.8
124.99990	4.0
125.09637	1.3
129.07016	1.0
131.08580	9.8
133.10129	18.1
135.08052	1.9
135.11708	5.3
137.09567	1.6
143.08583	1.1
145.10120	8.3
147.11711	7.8
149.09627	5.3
149.13260	2.5
151.11220	0.8
153.04211	0.8
159.11676	4.3
161.13261	3.1
163.11208	1.3
163.14833	0.9
165.09163	0.9
171.11623	0.9
173.13341	2.3
175.11249	0.8
175.14871	0.9
177.12764	1.3
179.14357	4.9
183.11661	0.9
184.07339	23.0
185.13266	1.2
187.11099	1.2
201.16287	1.0
209.15451	0.7
219.17436	19.8
229.19644	0.8
257.19037	3.0
275.20078	27.8
293.21164	1.7
328.13065	1.0
335.25815	40.1
349.23746	19.4
358.05161	0.8
545.63940	0.6
609.45135	100.0
610.45013	4.1
806.51129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	25.9
57.07078	2.6
59.05003	3.1
61.02926	4.3
65.03918	5.8
67.05505	100.0
69.03436	9.6
69.06725	3.2
69.07072	45.0
71.04993	8.1
71.54177	2.0
73.02912	5.7
78.80654	1.8
79.05494	59.0
81.03421	56.8
81.03788	1.1
81.07056	86.8
82.04234	3.1
83.04977	22.1
83.08619	30.7
85.02904	21.0
85.06544	5.4
86.09674	2.2
91.03954	2.6
91.05482	54.8
93.07047	54.9
95.04970	30.2
95.08605	42.0
97.02894	9.6
97.06554	19.9
97.10162	18.4
98.07334	2.5
99.08113	4.8
105.04542	2.1
105.06384	4.1
105.07033	46.7
107.04959	16.0
107.08593	39.9
109.02848	2.0
109.06555	9.9
109.09459	4.4
109.10157	49.4
111.04463	3.2
111.08077	13.5
113.06018	3.0
114.37331	1.8
115.05478	2.8
116.03971	2.3
116.04675	10.6
116.06271	2.3
117.07007	12.4
119.08585	36.4
121.06523	5.9
121.10147	21.9
123.08082	9.5
123.11682	4.9
125.09646	15.6
127.03907	4.1
129.05495	16.9
129.07019	12.2
131.08574	27.3
133.06573	4.4
133.10132	32.6
133.52786	2.1
135.08046	7.8
135.11678	10.4
137.09613	14.7
143.07050	3.6
143.08578	4.3
145.06448	3.3
145.10146	18.0
147.08026	4.3
147.11693	25.6
149.09644	16.8
149.13251	8.5
151.11185	3.9
153.09077	3.4
155.08481	3.1
155.10629	3.0
157.08614	8.3
157.10118	19.2
159.11707	16.0
161.09578	2.3
161.13223	6.0
163.11159	11.8
165.09087	3.1
165.12744	6.3
169.10077	4.5
170.56619	2.1
171.10172	4.0
171.11555	2.9
173.09578	2.2
173.11742	12.4
173.13245	5.0
175.11194	16.4
177.12695	5.8
179.14369	3.1
183.11717	2.7
184.07343	5.5
187.14748	2.4
189.11229	7.9
193.12247	39.5
195.13867	5.1
197.13280	2.0
199.13271	6.8
200.14169	2.8
209.11774	5.0
211.13281	45.9
225.14757	2.1
227.12723	12.9
229.14354	27.8
255.15863	2.5
257.19016	6.2
267.15927	28.4
269.17471	20.4
273.18649	2.7
275.20074	34.4
283.15399	7.1
285.16971	35.0
291.19577	4.9
293.21164	5.6
301.16516	38.3
349.23740	29.8
363.08121	2.1
367.24762	6.7
371.23987	2.3
373.18567	2.9
381.22559	2.3
382.66550	2.3
383.24261	8.2
403.24387	2.3
411.27206	2.3
421.25873	9.8
423.27524	11.3
437.25439	3.2
439.26938	36.6
455.26434	15.2
461.28986	7.5
463.30746	3.3
477.28500	4.5
479.29990	19.5
495.29617	20.9
541.35193	12.6
557.34320	5.0
559.36298	29.5
575.35760	21.9
577.37103	9.0
593.36816	18.6
808.38403	2.3
809.37799	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	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	18.3
57.07073	3.1
61.02923	4.6
65.03927	3.2
67.05512	63.9
69.03403	2.0
69.07072	18.1
69.29641	15.4
71.04998	3.8
73.02911	1.7
79.05073	3.0
79.05501	50.2
81.03433	2.6
81.07067	66.9
83.08631	10.7
85.02911	3.7
85.06554	2.4
91.05489	46.5
93.07058	60.8
95.04957	4.7
95.08618	61.6
97.06511	4.9
97.10192	2.1
99.08092	4.4
105.07040	34.5
107.08610	34.6
109.06541	4.6
109.10163	20.2
111.08081	3.5
117.07005	14.7
119.08597	29.4
121.10165	26.2
123.08112	2.1
123.11726	5.9
125.09599	2.0
127.61848	2.0
129.06987	4.7
131.08583	20.7
133.10136	22.6
135.08040	2.0
135.11736	19.3
137.13222	2.0
143.08543	4.8
145.10144	16.9
147.11691	17.6
149.13316	9.2
151.11116	2.8
157.10136	4.7
159.11714	14.0
161.13246	10.1
163.14821	4.7
171.11748	5.6
173.13271	6.9
175.14842	5.2
179.14355	2.7
184.07428	3.2
185.13332	5.3
187.14896	5.0
191.14275	2.4
199.14850	4.3
203.17926	3.0
221.19064	2.2
231.21109	2.5
241.19542	6.3
259.20627	17.4
261.22211	5.0
266.23608	1.9
277.21634	14.9
293.20917	2.6
333.24197	13.2
335.25839	100.0
351.25299	33.4
352.14862	1.9
593.45361	2.3
611.46814	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	808.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.3
57.07079	3.6
61.02930	3.0
62.49443	1.4
65.03957	6.8
67.05513	88.5
69.03426	4.3
69.07077	25.5
71.05007	4.2
77.23960	1.5
79.05502	78.5
81.07067	97.3
83.04991	4.7
83.08620	10.4
85.02917	4.0
85.06550	3.3
91.05490	72.6
93.07054	94.6
95.04979	6.7
95.08619	63.5
97.02895	3.1
97.06549	3.1
97.10186	5.3
98.21568	2.8
99.08109	3.8
105.04546	3.7
105.07043	74.6
107.04926	2.8
107.08607	42.6
108.81718	1.5
109.06535	4.5
109.10155	26.3
111.08112	3.1
113.09650	1.5
115.05466	4.2
117.07027	24.0
119.08596	55.7
121.10165	37.3
123.08051	2.8
123.11719	7.0
128.06203	2.1
129.07036	11.0
130.07703	2.1
131.08580	34.7
133.09111	2.3
133.10149	45.2
135.08102	2.5
135.11703	31.7
137.09593	2.0
137.13239	2.0
141.07011	2.8
142.07767	2.2
143.08568	11.0
145.10147	32.6
147.08075	2.4
147.11697	43.0
147.12808	3.2
149.09660	2.4
149.13283	16.3
155.08551	3.6
157.10172	9.8
159.11707	28.1
161.13268	26.1
163.11209	3.0
163.14841	4.9
169.10132	3.0
171.11717	13.4
173.13278	19.9
175.14864	9.2
183.11720	3.4
184.07378	3.8
185.13284	11.0
187.14874	7.0
189.12823	2.3
189.16451	2.3
191.14365	2.0
197.13281	4.0
199.14885	6.5
201.16350	2.7
209.13313	2.1
211.14726	2.7
213.16452	3.6
215.17943	1.9
217.19646	1.9
229.61781	1.8
231.21172	8.4
239.17993	2.9
241.19557	25.9
243.21164	4.3
257.19104	8.9
259.20599	56.5
261.22098	10.5
283.15485	5.1
315.23096	4.1
331.22708	2.3
333.24292	52.5
333.28271	3.2
335.25842	100.0
337.27444	4.9
339.29007	2.6
351.25363	3.1
359.05341	1.6
486.32712	1.9
501.40884	2.3
519.42090	5.9
537.42664	2.2
542.39240	2.0
547.40161	3.8
593.45917	12.5
611.46796	60.9
612.47101	3.6
677.47919	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	809.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.4
61.02928	6.4
67.05505	8.6
69.03433	4.4
69.07061	2.3
71.04968	1.3
71.54602	1.5
71.55807	1.0
71.81248	1.0
72.77517	0.9
73.02924	4.6
79.05486	4.6
80.89436	0.9
81.03415	6.4
81.07051	6.5
83.04984	2.4
83.08612	1.8
85.02922	6.5
86.09709	1.1
87.04472	1.2
88.58744	1.0
91.03962	3.6
91.05476	6.4
93.07051	5.9
95.04980	1.8
95.08607	3.6
97.02911	6.8
97.06538	1.3
101.02402	3.2
105.07029	4.9
107.04943	1.6
107.08601	3.6
109.02903	1.3
109.06496	1.8
109.10172	4.0
111.39288	1.0
119.08605	4.0
121.10197	1.6
125.09659	1.2
127.03928	2.1
131.08603	2.7
133.10147	2.9
147.11743	2.4
149.09662	3.5
151.11223	1.5
161.09564	1.2
175.11284	1.5
193.12354	2.7
224.64586	1.0
225.14935	2.1
243.08595	3.7
283.15295	3.7
301.09155	1.3
322.55963	1.0
331.18832	2.2
413.17975	1.2
451.19412	2.0
467.19119	1.6
469.20297	1.1
501.22980	13.5
531.25562	1.8
549.27026	3.5
639.29749	11.5
695.30920	1.1
791.42291	6.1
809.42871	100.0
810.43304	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	809.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
57.07087	2.5
61.02932	4.7
67.05515	4.2
69.03426	3.1
69.07070	2.5
69.96175	0.6
71.04990	0.6
71.08641	2.7
71.27699	1.0
73.02917	3.0
74.46732	0.5
79.05515	3.1
81.03435	1.4
81.07060	5.2
83.08630	2.4
85.02913	5.4
85.10182	1.3
90.79844	0.5
91.03977	3.5
91.05482	1.8
93.07044	3.1
95.04990	0.9
95.08614	4.3
97.02911	5.4
97.06567	0.7
97.10206	0.6
99.04499	0.8
99.08109	0.5
101.02402	2.0
102.97324	0.6
105.07052	1.2
107.08631	2.0
109.02934	0.6
109.10184	2.3
117.07043	0.7
119.08607	1.1
119.48820	0.6
121.10159	1.2
123.11774	0.7
127.03960	1.2
131.08600	0.9
133.10144	0.8
134.65161	0.5
135.11746	0.7
147.11699	0.7
185.04283	1.0
194.34998	0.6
203.05325	0.7
243.08412	3.8
313.27469	1.3
335.18546	0.6
335.22021	2.5
335.25687	0.9
336.26501	0.6
379.03549	0.6
439.19580	2.0
453.21152	1.3
497.30966	5.9
553.29913	6.8
677.68878	0.6
709.45636	0.9
730.09027	0.6
809.53833	100.0
810.54395	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	810.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06619	0.5
60.08168	6.2
64.25966	0.2
67.05486	0.3
69.61182	1.5
71.07382	3.3
81.07057	0.3
86.09713	29.5
91.05479	0.2
93.07014	0.4
96.69257	0.2
98.98466	2.6
104.10750	4.1
111.04497	0.2
125.00018	21.5
150.32880	0.3
150.93195	0.2
184.07356	100.0
185.07733	0.6
230.79671	0.2
245.46906	0.2
264.45813	0.2
751.45612	0.3
792.51440	0.7
810.53076	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	811.386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.0
57.03430	1.4
59.05016	1.2
61.02919	4.0
64.32516	0.8
67.05515	6.0
68.23872	1.0
69.03423	2.7
69.07083	1.7
69.80885	0.9
73.02921	3.3
79.05530	4.6
81.03434	5.3
81.07059	4.7
83.08609	1.5
85.02917	5.1
91.03935	2.6
91.05507	4.7
93.07045	3.8
95.04939	1.8
95.08601	2.5
97.02890	4.0
98.97584	1.2
99.04500	1.2
101.02361	2.4
105.07033	1.6
107.08562	2.3
109.10157	1.5
112.99161	1.0
117.07003	1.1
119.08577	2.2
121.10144	1.5
127.03935	1.4
129.05432	0.9
129.81314	1.3
131.00113	1.1
131.08595	2.3
133.10149	2.1
135.11688	1.7
147.11758	1.1
149.01222	1.6
149.09613	1.0
163.11189	0.9
175.11151	1.6
184.07358	1.8
185.04242	1.6
193.12161	1.6
203.05260	1.2
219.05914	0.9
229.07408	0.9
243.08536	4.7
269.10437	1.9
283.08667	1.6
283.15210	2.8
285.10037	1.5
293.05405	1.2
301.08987	1.9
315.10535	1.5
333.20480	1.6
339.17609	1.3
349.16833	2.4
371.56714	1.1
385.18222	1.5
401.15778	1.0
411.13654	1.1
413.17740	2.4
439.19174	1.4
449.23099	1.1
453.20856	1.4
469.20370	3.3
485.18173	1.4
501.16809	1.4
501.23154	12.8
544.19348	2.1
551.28210	3.4
557.19891	2.8
641.31329	8.2
667.32581	2.1
683.30487	7.8
693.34088	1.6
709.34857	2.2
721.38092	1.3
725.31732	17.2
765.38885	1.9
793.37366	1.8
811.40472	100.0
812.40924	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	811.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
59.32579	0.6
61.02927	4.9
66.34872	0.5
67.05508	7.2
67.63189	0.6
69.03428	3.4
69.07050	1.0
69.20779	5.1
69.51174	0.5
71.04987	0.9
73.02914	4.8
79.05475	1.7
81.03409	4.3
81.07070	3.9
83.05007	0.7
83.08613	1.6
85.02904	8.0
91.03958	3.7
91.05479	2.9
93.07027	1.6
95.04951	1.4
95.08649	1.4
97.02874	5.5
99.04465	1.1
101.02378	1.9
103.82185	0.6
105.07043	2.0
107.08624	1.3
109.02837	1.2
109.06494	0.6
109.10151	6.5
111.08086	0.7
119.08558	2.2
121.10133	0.9
127.03916	2.0
129.07088	0.6
131.08563	1.0
133.10124	1.0
145.10147	0.7
147.11760	1.0
157.10138	0.9
173.11777	2.0
175.11166	1.5
184.07341	0.8
185.04230	1.6
193.12302	1.8
195.09964	1.3
211.13312	1.2
229.14439	1.7
243.08377	3.1
251.12631	2.6
280.54803	0.6
301.08960	3.1
315.10547	0.8
318.31161	0.6
371.16623	0.7
373.10959	1.0
385.18381	2.2
413.17859	14.2
413.23196	1.1
429.17490	0.7
439.19031	0.7
441.21329	1.0
443.18915	1.7
469.20523	16.8
479.26334	1.0
485.19754	1.5
499.21329	1.2
528.21698	1.3
541.22534	2.3
567.31262	1.5
611.30396	0.7
612.31659	1.0
623.37354	0.7
641.31421	100.0
642.31470	2.9
667.32697	1.0
669.34424	3.0
697.34052	3.7
721.37579	2.5
765.38257	0.8
811.41064	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	811.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.1
59.05017	1.2
61.02928	5.7
67.05495	6.7
69.03423	4.5
69.07074	3.1
71.04987	1.7
71.53716	0.6
71.54106	0.8
73.02922	4.1
79.05491	6.3
81.03413	5.7
81.07055	6.7
83.04957	1.6
83.08621	1.5
85.02909	6.6
87.04472	0.8
91.03964	2.7
91.05481	5.0
93.07048	5.0
95.04971	2.5
95.08600	3.2
97.02894	5.7
97.06549	1.0
99.04454	0.9
101.02399	2.5
105.07046	4.8
107.04971	1.5
107.08562	3.3
109.02888	0.9
109.06503	0.7
109.10171	2.1
111.08086	0.8
115.03935	0.6
117.07066	1.6
119.08613	2.0
121.10126	3.4
123.11758	0.8
125.00024	0.8
127.03954	1.9
129.07011	1.8
131.08606	2.2
133.10176	2.0
135.11722	1.3
145.10176	1.1
147.11719	2.5
149.09628	1.7
157.10156	1.7
175.11209	1.3
184.07339	4.1
193.12308	2.0
203.05476	1.1
207.13771	0.6
219.28004	0.6
225.15009	0.8
242.26538	0.6
243.08360	4.1
267.16257	0.9
281.17563	1.4
283.15161	4.3
287.16473	0.6
301.08911	1.3
315.10605	0.8
333.20383	3.2
339.18011	1.6
385.47971	0.7
413.17749	0.9
439.19687	1.8
453.21027	1.2
461.40781	0.7
469.20609	1.7
487.30737	1.1
501.23013	13.3
501.30307	0.8
502.23120	0.8
551.28394	10.0
609.28253	0.8
641.31165	3.5
713.38440	0.7
721.38153	2.3
765.39984	0.7
811.44415	100.0
812.45166	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	811.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.60207	0.8
61.02932	6.0
67.05500	5.4
69.03430	2.6
69.07065	2.2
69.17592	8.1
73.02925	2.5
77.94013	0.8
79.05510	3.7
81.03424	2.4
81.07075	5.9
83.04995	0.9
83.73564	0.8
85.02923	5.6
91.03973	4.1
91.05502	3.3
91.17056	0.8
93.07049	5.1
95.04957	1.1
95.08626	4.7
97.02906	4.8
97.06564	1.1
99.04472	1.2
101.02394	2.2
101.47903	0.8
105.07063	1.9
107.08610	3.1
108.75626	0.8
109.06554	0.7
109.10189	2.1
119.08601	2.2
121.10175	2.9
133.10144	1.3
135.11703	1.0
145.10144	0.8
159.11763	1.1
180.43597	0.9
184.07443	2.5
185.04262	1.2
243.08507	2.1
249.61943	0.8
267.79227	0.7
315.19336	5.7
519.29449	8.7
533.27228	4.2
575.42743	0.8
811.49725	100.0
812.49921	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	812.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.8
57.07079	8.2
59.05006	1.0
61.02927	30.7
67.05170	1.6
67.05503	16.9
69.03430	3.7
69.06715	1.9
69.07072	19.0
71.01369	1.2
71.04971	1.6
71.08653	1.6
71.52659	1.3
73.02916	16.0
77.03931	1.3
79.05487	9.2
81.03410	5.3
81.07059	45.5
83.04977	1.0
83.08624	8.8
85.02908	54.4
91.03954	38.9
91.05477	8.0
93.07046	22.6
95.01331	15.1
95.04946	2.1
95.08609	75.7
97.02895	30.5
97.10193	6.1
97.10700	1.0
99.00792	1.4
99.04458	3.0
101.02365	1.8
103.03960	4.7
105.07032	19.2
107.04971	1.4
107.08603	30.4
109.02874	2.7
109.06531	1.9
109.10159	40.7
111.11677	2.7
113.02377	3.4
115.03941	2.5
117.07023	4.3
119.08584	20.4
121.06533	5.8
121.10142	28.5
123.11713	21.2
127.03925	26.7
129.07008	3.5
131.03421	2.2
131.08577	14.3
133.10143	14.0
135.08047	8.6
135.11708	17.5
137.09604	1.4
137.13254	34.1
141.01830	77.7
142.07803	1.2
143.08554	7.3
145.04961	31.1
145.10132	14.4
147.08035	2.6
147.11716	10.1
149.09651	2.3
149.13266	21.2
151.14828	3.9
155.08514	1.8
157.10107	6.9
159.02905	26.4
159.08087	1.2
159.11707	6.5
161.09685	2.1
161.13261	11.9
163.06017	88.9
163.11203	4.4
163.14857	10.1
165.12708	1.5
169.10144	3.8
171.11705	6.9
173.13280	20.5
175.11209	4.4
175.14821	10.4
177.03951	5.7
177.12708	2.3
177.16400	7.0
179.14339	1.8
179.18018	1.5
183.11761	2.5
185.13281	3.5
187.14819	25.0
189.12761	11.7
189.16389	9.4
191.14320	8.4
191.17960	13.0
193.19554	1.2
197.13351	1.8
199.14854	5.0
201.12880	1.2
201.16389	13.1
203.14378	5.2
203.17989	14.3
204.08676	1.7
205.15889	7.5
205.19511	26.2
207.21077	2.1
211.14732	2.7
213.16382	15.7
215.14424	2.1
215.17935	5.1
215.31952	1.0
217.15919	4.1
217.19443	5.7
219.17572	1.6
219.21111	2.5
221.15421	3.1
225.16356	2.7
227.17990	5.1
229.15909	3.9
229.19504	2.9
231.17477	7.7
231.21121	2.7
233.15352	10.2
235.16971	2.3
239.17944	3.8
241.15910	1.7
241.19566	8.0
243.17531	5.2
243.21121	3.9
245.18961	1.5
245.22591	1.7
247.16939	5.1
253.19534	1.5
255.17441	1.3
255.21077	4.5
257.19073	2.3
257.22559	1.5
259.16867	2.0
261.18384	1.2
266.43872	1.0
267.21082	1.5
269.19125	2.7
269.22635	3.1
271.20560	1.9
281.23132	1.5
283.15219	1.4
283.20511	2.8
283.23911	1.1
285.06015	3.8
285.10229	1.7
297.22086	1.1
303.07025	2.4
321.08179	6.8
337.28824	1.1
339.09418	5.3
379.33807	1.8
393.35202	22.8
395.33084	53.5
397.34531	1.4
403.33832	6.0
411.36145	7.0
421.34656	40.9
439.35739	100.0
440.35916	1.5
501.23260	1.3
502.23260	2.1
552.28992	1.1
642.31635	1.4
722.37311	1.3
783.70502	1.1
812.44879	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	813.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
57.07062	0.6
60.08167	2.1
61.02935	5.2
63.61920	0.6
65.03954	0.5
67.05511	5.1
69.03431	3.3
69.07076	1.5
70.88855	1.0
71.07376	1.4
73.02923	4.5
74.09721	0.7
79.05515	2.9
81.03413	1.4
81.07069	6.9
83.08604	0.9
85.02922	5.3
86.09713	10.4
87.10023	1.0
87.37228	0.7
91.03965	2.8
91.05491	2.7
93.07044	6.1
95.08602	3.7
97.02894	4.2
98.98488	1.8
99.04443	1.1
101.02402	1.8
105.07046	2.6
107.08629	2.7
109.02911	0.9
109.10182	1.7
117.07018	0.7
119.08580	1.8
121.10179	2.4
125.00005	8.9
127.03925	1.0
131.08588	1.1
132.40323	0.6
132.58423	0.6
133.10162	1.2
135.11707	1.8
145.10233	1.0
159.11714	0.9
184.07361	34.6
185.04327	1.0
185.07721	4.4
197.74368	0.7
243.08496	2.5
335.26056	0.7
389.03394	0.6
463.02954	0.7
519.29419	7.8
535.28766	4.3
725.70105	0.8
813.51294	100.0
814.51984	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	813.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	1.3
61.02926	4.9
67.05241	0.5
67.05522	5.3
69.03433	3.2
69.07067	1.8
69.51215	4.3
73.02919	3.9
79.05497	3.9
81.03402	1.6
81.07065	5.6
85.02916	5.4
86.09706	5.6
91.03954	4.2
91.05485	3.7
93.07049	5.1
95.08607	3.6
97.02896	5.0
99.04514	0.7
100.78358	0.7
101.02390	2.6
105.07016	3.1
107.08617	2.9
109.02922	1.1
109.10122	1.0
112.38519	0.7
115.03925	1.2
119.08600	2.6
121.10157	2.5
123.11730	0.9
125.00016	3.2
127.03948	2.1
131.08597	0.9
133.10143	1.4
135.11745	1.2
147.11772	0.8
159.11632	0.7
184.07349	14.8
185.04239	0.9
185.07745	1.2
203.05461	0.6
243.08490	3.0
272.94550	0.8
296.33505	0.7
301.09256	1.1
432.24930	0.7
519.29236	8.0
535.28619	4.0
587.39301	1.3
588.38538	0.8
689.08679	0.8
813.51233	100.0
814.51624	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	815.2242
Annotation	Faratroside
Peak:m/z	Relative Intensity
57.03434	0.8
59.04987	0.4
60.27983	0.2
61.02930	2.5
65.03931	0.3
68.99784	0.3
69.03431	14.0
69.19524	0.2
69.49644	0.7
69.50056	0.3
71.01343	0.4
71.04995	3.9
73.02898	0.6
81.03410	1.0
83.04485	0.3
83.04985	7.6
85.02907	8.6
87.04477	3.0
91.03941	0.9
93.03374	0.2
95.04968	0.9
97.02893	2.9
98.21471	0.3
99.04436	0.6
101.06072	0.2
107.04906	0.2
109.02885	1.1
111.00784	0.5
111.04444	6.6
111.35670	0.2
113.05988	0.5
115.03931	0.2
121.02847	0.9
123.04433	0.3
125.02325	0.2
127.03929	1.8
129.05484	13.3
131.06241	0.2
133.04967	0.3
137.02330	2.1
137.03304	0.3
137.05894	0.1
145.04964	1.6
149.02357	0.3
153.00708	0.3
153.01840	2.7
156.98488	0.1
157.06572	0.2
161.05986	0.2
163.03877	0.6
163.06020	0.2
165.01833	1.5
166.02591	0.3
170.54610	0.1
171.06461	0.3
173.05986	0.3
173.08130	0.5
177.01903	0.2
183.02893	0.5
187.03923	0.2
189.07587	9.5
195.02928	0.4
201.05472	1.5
219.06631	0.3
221.06482	0.2
229.04947	3.2
229.07050	0.3
247.06018	0.6
255.08594	0.7
257.04449	2.4
266.23648	0.2
274.04755	0.7
285.03906	1.2
303.04996	100.0
304.05347	1.9
315.05096	0.2
333.11905	0.3
345.06323	0.3
351.12988	0.2
447.08929	0.2
465.10141	0.7
491.11932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.7
59.03485	2.3
61.02896	3.5
64.32029	2.6
67.05510	27.1
69.03438	20.4
69.07057	7.1
71.04977	7.2
73.02905	2.2
79.05492	28.0
81.03422	100.0
81.07063	37.4
83.04980	26.0
83.08617	24.2
85.02905	26.7
85.06537	5.7
86.81324	2.6
87.04459	2.3
91.05491	39.7
93.07041	25.9
95.04972	35.6
95.08613	15.6
97.02888	21.4
97.06520	7.3
97.10162	7.1
99.04486	3.9
99.08111	2.6
103.05471	3.5
105.07043	28.4
107.04939	10.3
107.08599	14.2
109.02893	13.9
109.06514	7.8
109.10160	9.8
111.04466	11.9
111.08110	12.4
117.06990	4.3
119.04961	3.0
119.08582	23.5
121.06513	5.7
121.10155	14.2
123.04464	3.2
123.08054	6.6
123.11772	4.8
127.03912	9.1
129.05450	4.4
129.07025	13.2
131.08591	18.5
133.06488	4.7
133.10127	15.2
135.08035	4.5
135.11649	4.7
137.05959	7.0
137.09583	5.6
139.03909	3.8
142.07755	3.7
145.06566	3.2
145.10191	3.5
147.08012	5.2
147.11700	23.5
149.05907	4.3
149.09639	5.8
149.13249	2.7
157.10164	15.3
159.07977	3.0
159.11737	2.7
161.09648	3.1
163.11162	5.2
165.09160	12.8
165.12733	5.9
167.07014	5.2
171.08052	2.9
175.11174	15.8
189.12794	2.7
191.10695	3.3
193.12253	58.7
211.13295	57.4
227.12685	4.4
267.15930	34.9
285.10141	5.7
285.17014	32.6
301.14420	6.0
303.04956	6.6
367.22214	3.3
375.18112	2.8
385.23767	4.9
393.18716	3.3
411.20328	4.7
429.21094	12.9
459.27444	27.2
477.28558	28.8
495.29678	32.1
496.29871	3.2
512.13214	2.6
561.30945	2.9
585.31146	3.4
603.31403	3.8
621.32361	21.0
639.33789	45.8
819.40887	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	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.4
57.07075	2.4
58.08586	1.4
59.04995	1.2
59.67120	1.1
65.03922	3.6
66.56315	1.2
67.05509	67.9
69.03422	7.0
69.06734	1.5
69.07072	17.6
69.92801	4.5
71.04997	2.9
78.17013	1.0
79.05497	55.9
79.15533	1.0
81.03429	2.2
81.06583	2.6
81.07063	55.0
83.04980	5.7
83.08150	1.9
83.08622	29.5
85.06540	2.6
86.09693	2.1
90.76845	1.0
91.05484	54.1
93.07049	54.6
95.04974	4.6
95.08613	34.4
95.09105	0.8
97.02907	1.1
97.06541	2.8
97.10176	69.2
103.05465	1.6
105.04511	1.2
105.07041	18.2
107.04924	2.8
107.07870	2.3
107.08601	44.9
109.06522	4.3
109.10168	17.7
111.08069	2.2
115.05469	6.9
117.07027	35.2
117.07848	2.2
119.08585	71.9
121.06506	4.2
121.10143	16.3
123.08121	2.4
123.11709	3.2
125.09636	56.9
128.06230	1.5
129.06998	3.6
131.08572	15.1
133.06519	1.5
133.08569	1.5
133.10170	9.2
135.08061	13.5
135.11711	9.3
137.13194	1.1
141.06961	1.4
142.07797	1.2
143.08565	7.9
143.10704	1.8
145.06487	24.8
145.10129	8.9
147.08028	4.0
147.11700	5.4
149.13313	6.0
153.09105	7.0
155.08588	4.4
157.10088	6.5
157.85738	1.1
159.08075	9.9
159.11714	6.8
161.09650	2.0
161.13258	4.1
163.07579	2.8
163.14824	2.2
169.10027	1.4
171.08047	1.4
171.10161	5.3
171.11584	1.8
173.09641	3.1
173.13251	4.4
183.11697	2.1
184.07336	7.2
187.14841	2.3
189.11229	40.4
189.12936	2.1
215.14455	1.7
225.16452	1.6
227.12793	88.6
229.14465	1.5
243.17424	2.3
243.21161	5.5
245.13812	2.2
253.15868	2.8
261.22168	24.8
271.16937	54.1
289.18008	16.2
307.19269	1.6
317.24762	3.9
327.19504	2.4
335.25815	67.7
345.20609	14.6
363.21640	21.0
431.32129	2.0
449.45740	1.7
487.34149	8.2
505.35239	49.2
506.35696	1.4
605.41992	39.2
606.42157	1.4
623.43085	100.0
624.43024	3.6
650.02832	1.2
720.92523	1.1
742.73199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.8
57.07061	0.9
59.05022	1.1
65.03941	3.2
67.05511	41.6
68.03476	0.9
69.03432	7.5
69.07071	12.6
71.04974	1.4
74.81037	0.8
79.05499	37.8
81.03432	1.6
81.07063	38.4
83.04992	4.5
83.08623	25.2
85.06522	1.7
86.09692	1.2
87.04435	1.1
91.05488	38.4
93.07054	30.7
95.04969	3.6
95.08614	17.2
96.95669	1.0
97.06543	2.9
97.10175	55.0
103.05466	2.1
104.06213	0.9
105.07041	12.2
107.04950	2.3
107.08601	30.6
109.06526	2.0
109.10164	11.6
111.08067	2.2
115.05436	5.1
116.06269	1.0
117.07019	27.8
119.08592	57.0
121.06495	2.3
121.10179	8.3
123.11754	1.6
125.00008	1.1
125.09638	50.5
128.06194	1.9
129.07002	3.5
131.08577	9.2
133.06586	1.2
133.10117	5.7
135.08047	9.0
135.11670	6.3
137.09674	1.7
141.07037	2.2
142.07809	1.0
143.08566	6.5
143.10652	2.7
145.06490	20.1
145.10159	7.3
147.08028	4.2
147.11699	3.6
149.13242	4.4
153.09082	4.5
155.08575	2.6
157.10147	4.2
159.08069	9.0
159.11700	3.9
161.09650	2.4
161.13269	2.3
163.07579	1.4
163.11192	1.0
163.14990	1.1
167.08656	1.2
167.71077	0.9
169.10167	1.4
171.08150	1.1
171.10211	4.5
171.11491	1.3
173.09618	3.2
173.13283	2.8
175.14832	0.9
180.50584	0.8
183.11707	2.1
184.07344	3.8
185.09715	1.2
187.14949	1.2
189.11224	33.9
201.16469	1.5
215.17964	1.4
225.16464	2.9
227.12790	100.0
243.17526	2.7
243.21130	2.9
245.13715	1.1
253.15898	2.7
261.22150	15.4
271.16956	56.1
289.17987	16.1
317.24854	1.4
329.29858	0.8
335.25812	28.2
341.13266	1.0
345.20688	11.1
363.21713	21.1
420.02509	1.1
431.31580	1.0
487.34344	6.7
505.35284	13.7
605.42072	27.5
623.43091	53.3
624.43573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.8
57.07064	0.7
57.54888	0.3
61.02934	2.4
65.03904	0.9
67.05507	24.2
69.03408	0.7
69.07072	7.7
71.04998	2.1
71.52543	0.4
73.02911	1.5
79.05497	13.6
81.03436	1.9
81.07059	29.9
83.04990	3.1
83.08162	0.5
83.08620	7.2
85.02907	3.9
85.06536	1.9
89.46771	0.3
91.03952	2.0
91.05483	7.1
93.07045	23.8
95.04969	2.6
95.08612	8.8
97.02922	1.6
97.06524	4.9
97.10139	1.3
99.04443	0.4
99.08058	1.4
105.07035	2.5
107.04891	0.4
107.08594	14.8
109.02942	0.4
109.06496	1.4
109.10178	2.0
111.04453	0.4
111.08079	3.0
111.11696	0.4
113.06001	0.4
113.09592	0.6
117.07024	3.6
117.70151	0.3
119.08591	1.5
121.06508	0.7
121.10143	10.0
123.08088	0.5
123.11667	0.7
125.09621	0.5
127.03912	0.9
127.07491	0.4
131.08586	4.5
133.10143	3.7
135.08037	0.9
135.11693	4.3
139.11163	0.8
145.04936	1.1
147.11635	0.7
149.09578	0.7
149.13261	16.6
151.11110	0.4
159.11691	6.0
163.06003	0.9
165.12726	0.4
167.14232	0.4
177.12755	3.7
195.13817	4.9
211.13335	0.3
213.14812	0.5
227.12834	0.4
229.14308	0.4
267.15833	0.5
269.17484	40.9
270.17841	0.9
278.74759	0.3
283.15302	0.4
301.16364	0.4
445.29980	0.5
463.30551	100.0
464.30890	2.8
524.40771	0.4
543.89856	0.4
595.16071	0.3
607.34552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.9
57.07070	3.6
57.85633	1.6
59.04999	4.1
61.02923	6.8
63.42175	1.6
65.03932	2.9
67.05508	100.0
68.69732	1.3
69.03445	7.5
69.07074	14.2
71.01357	3.6
71.04987	4.5
71.53152	1.4
71.78189	1.4
73.02926	7.1
79.05495	33.6
80.71989	1.4
81.03422	24.5
81.07061	40.2
82.04195	4.2
83.04986	18.5
83.08623	20.1
85.02908	15.8
85.06540	4.6
87.04462	3.7
91.03983	2.6
91.05487	25.5
93.07052	20.7
95.04085	1.5
95.04974	15.6
95.08610	15.7
97.02909	10.8
97.06548	9.5
97.10175	26.9
98.07308	5.5
99.04449	1.9
105.07046	14.2
106.72823	1.6
107.04962	4.7
107.08614	21.4
108.78963	1.4
109.06510	4.4
109.10167	62.4
111.04463	2.7
111.08105	8.0
116.04719	7.6
117.07026	4.5
119.08602	13.1
121.06502	3.5
121.10155	6.1
123.04408	1.7
123.07220	1.7
123.08062	7.2
125.06071	1.9
125.09647	32.4
127.11172	2.3
129.05493	29.4
129.06987	3.2
131.08566	5.6
133.10130	6.7
135.08028	3.8
135.11720	5.6
137.09636	7.2
143.07030	6.2
143.10677	4.7
145.10100	6.4
147.11711	5.3
149.02338	3.4
149.09605	3.3
153.09109	2.7
153.12767	4.4
155.10696	6.4
157.08603	11.1
157.10048	3.5
163.11162	14.6
165.12852	2.0
171.06502	2.8
171.10170	3.0
173.11763	21.9
175.11223	2.7
184.07387	1.8
189.11215	5.7
191.10677	4.3
193.05051	2.4
193.12224	7.5
199.09688	2.0
199.13271	18.7
205.81352	1.7
209.11766	11.4
211.13332	4.1
217.14383	4.2
227.12752	13.4
228.23262	4.3
229.12106	2.5
229.14375	47.2
230.14624	1.9
255.16066	2.6
265.14517	2.2
267.15927	8.4
283.15454	11.9
285.16904	2.7
301.16483	56.6
353.23141	2.0
371.24274	5.3
383.24435	11.1
399.23907	14.4
421.25793	1.8
437.25351	2.8
438.26068	3.6
455.26364	16.3
509.27335	3.3
527.28461	9.4
541.33588	7.7
545.29443	3.0
553.33325	8.2
600.91644	1.5
625.35907	14.9
659.53040	1.8
759.10962	1.6
818.32617	1.8
822.37500	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	822.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.2
57.07087	4.1
57.67971	2.1
59.04982	3.7
59.57716	2.2
61.02920	6.7
65.03942	5.8
67.05504	100.0
69.03414	8.4
69.07066	43.2
71.04649	2.3
71.04986	14.2
73.02918	2.7
78.45535	2.3
79.05493	51.5
81.03415	40.4
81.06584	4.8
81.07056	84.3
83.04976	16.8
83.08612	30.1
85.02897	21.4
85.06527	7.8
91.05479	59.3
93.07042	59.4
95.04968	26.7
95.08607	34.5
97.02882	10.7
97.06525	25.5
97.10146	12.2
98.20721	5.6
99.04417	3.9
99.08086	4.4
102.42453	2.4
105.07025	38.5
107.04921	11.6
107.08591	36.0
109.02843	3.4
109.06505	7.5
109.10159	34.3
111.04435	4.1
111.08067	11.9
116.04715	3.3
117.07014	14.4
119.08596	24.5
121.06484	6.3
121.10154	20.9
123.08057	7.7
123.11665	4.7
125.09616	10.9
127.03899	3.9
129.05475	11.1
129.07008	12.7
131.08559	18.3
133.10129	27.0
135.08072	4.0
135.11703	11.7
137.09604	10.1
143.07033	3.2
145.10127	19.2
147.08026	6.0
147.11696	13.4
149.09583	18.2
149.13249	11.3
155.10652	2.6
157.08760	3.8
157.10150	10.2
159.11661	12.8
161.09625	3.4
161.13333	3.3
163.11189	9.8
165.12743	4.1
169.10098	3.3
171.10274	3.2
171.11664	3.5
173.11732	9.1
175.11177	9.9
177.12721	4.2
177.96138	2.9
182.04724	2.3
183.67274	2.4
187.11147	2.2
189.11290	4.5
193.12224	30.9
193.94374	2.2
195.13757	7.3
199.13324	7.6
209.11787	5.0
211.13266	32.4
213.14954	2.6
227.12802	8.2
229.14255	16.2
251.16409	2.6
257.18988	5.2
267.15860	19.6
269.17450	28.7
273.18509	4.0
275.20053	15.9
283.15433	8.9
285.17001	25.1
291.19449	4.2
301.16473	22.8
329.11221	2.9
331.22418	3.9
349.23465	16.0
372.11282	2.9
373.18335	4.2
411.27518	6.6
413.21616	4.7
421.25720	6.7
423.27438	18.3
439.26846	30.7
461.28931	8.5
463.25052	2.9
463.30597	32.3
477.28101	8.8
479.30093	16.4
495.29352	11.4
541.35364	7.6
557.34302	4.3
559.35901	14.1
570.63953	2.5
575.35724	11.6
607.37537	4.1
639.33643	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	822.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.2
57.07087	4.1
57.67971	2.1
59.04982	3.7
59.57716	2.2
61.02920	6.7
65.03942	5.8
67.05504	100.0
69.03414	8.4
69.07066	43.2
71.04649	2.3
71.04986	14.2
73.02918	2.7
78.45535	2.3
79.05493	51.5
81.03415	40.4
81.06584	4.8
81.07056	84.3
83.04976	16.8
83.08612	30.1
85.02897	21.4
85.06527	7.8
91.05479	59.3
93.07042	59.4
95.04968	26.7
95.08607	34.5
97.02882	10.7
97.06525	25.5
97.10146	12.2
98.20721	5.6
99.04417	3.9
99.08086	4.4
102.42453	2.4
105.07025	38.5
107.04921	11.6
107.08591	36.0
109.02843	3.4
109.06505	7.5
109.10159	34.3
111.04435	4.1
111.08067	11.9
116.04715	3.3
117.07014	14.4
119.08596	24.5
121.06484	6.3
121.10154	20.9
123.08057	7.7
123.11665	4.7
125.09616	10.9
127.03899	3.9
129.05475	11.1
129.07008	12.7
131.08559	18.3
133.10129	27.0
135.08072	4.0
135.11703	11.7
137.09604	10.1
143.07033	3.2
145.10127	19.2
147.08026	6.0
147.11696	13.4
149.09583	18.2
149.13249	11.3
155.10652	2.6
157.08760	3.8
157.10150	10.2
159.11661	12.8
161.09625	3.4
161.13333	3.3
163.11189	9.8
165.12743	4.1
169.10098	3.3
171.10274	3.2
171.11664	3.5
173.11732	9.1
175.11177	9.9
177.12721	4.2
177.96138	2.9
182.04724	2.3
183.67274	2.4
187.11147	2.2
189.11290	4.5
193.12224	30.9
193.94374	2.2
195.13757	7.3
199.13324	7.6
209.11787	5.0
211.13266	32.4
213.14954	2.6
227.12802	8.2
229.14255	16.2
251.16409	2.6
257.18988	5.2
267.15860	19.6
269.17450	28.7
273.18509	4.0
275.20053	15.9
283.15433	8.9
285.17001	25.1
291.19449	4.2
301.16473	22.8
329.11221	2.9
331.22418	3.9
349.23465	16.0
372.11282	2.9
373.18335	4.2
411.27518	6.6
413.21616	4.7
421.25720	6.7
423.27438	18.3
439.26846	30.7
461.28931	8.5
463.25052	2.9
463.30597	32.3
477.28101	8.8
479.30093	16.4
495.29352	11.4
541.35364	7.6
557.34302	4.3
559.35901	14.1
570.63953	2.5
575.35724	11.6
607.37537	4.1
639.33643	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	822.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	18.4
57.07071	2.4
59.04984	5.7
61.02921	2.3
62.56615	1.6
65.03925	7.4
67.05504	98.0
69.03427	9.7
69.03717	1.5
69.06726	2.5
69.07067	38.6
69.78299	8.4
71.01334	4.6
71.04999	9.9
73.02924	1.9
78.95259	1.7
79.05495	59.4
81.03416	100.0
81.07055	68.1
83.04967	15.5
83.08611	33.0
85.02895	7.3
85.06530	8.2
87.04449	2.5
89.62471	1.5
91.05480	55.9
93.06480	3.0
93.07040	47.2
95.04971	36.3
95.08607	30.2
97.02891	7.2
97.06535	16.0
97.10174	17.2
99.04454	1.9
99.08092	2.7
103.05452	2.1
105.07026	40.2
107.04964	17.0
107.08596	29.8
109.02841	3.3
109.06505	7.3
109.10153	48.8
111.04431	5.4
111.08083	12.7
115.05437	2.9
116.37323	1.7
117.07014	13.0
119.04907	2.8
119.07815	2.6
119.08588	33.5
121.06519	8.4
121.10154	20.6
123.08059	9.6
123.11712	5.9
125.09634	11.4
127.03915	2.0
128.06244	3.7
129.07022	15.6
131.08556	22.5
131.70555	1.6
133.06461	5.2
133.10136	21.6
135.08043	5.8
135.11694	12.5
137.09633	13.4
142.07809	3.1
143.08565	7.8
145.06490	4.3
145.10120	14.0
147.08049	7.5
147.11708	17.0
149.09612	22.7
149.13245	5.5
151.11165	3.2
155.08490	2.5
155.10638	4.0
157.10130	15.3
159.08052	4.0
159.11656	8.5
161.09642	1.6
161.13239	5.6
163.11203	10.6
165.12648	1.8
169.10092	3.1
171.11670	3.7
173.09602	4.2
173.11728	8.9
173.13087	2.9
175.11142	9.2
179.14290	1.9
181.10095	1.9
181.12270	3.7
183.11678	4.1
185.13243	2.5
187.11218	3.4
187.13145	2.1
189.11206	2.5
191.10661	3.2
193.12238	30.4
199.13281	4.1
203.14307	1.9
205.12198	3.2
207.11842	1.8
209.11652	2.7
211.13252	5.4
219.13770	1.9
225.14905	5.2
225.27455	1.7
227.12801	9.3
229.14336	34.1
243.15903	4.9
249.14827	4.8
255.15880	4.9
257.19040	2.9
267.15903	78.7
269.17407	3.2
273.18564	3.8
275.20120	12.9
283.15442	4.4
291.19635	7.4
301.16852	2.2
329.21155	4.8
347.21970	2.7
349.23834	14.1
355.23248	1.6
403.24637	4.8
417.26447	2.2
421.25809	29.1
423.27521	3.6
429.26230	3.0
435.27432	7.0
445.29553	3.6
447.27402	20.3
459.26987	2.4
461.28714	2.8
463.27127	2.0
489.28720	2.4
523.34357	2.0
541.35248	33.3
557.34497	4.9
559.36047	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	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.3
57.07035	1.6
59.04976	1.0
60.08122	1.5
61.02896	1.3
65.03901	2.7
67.05503	64.0
67.06030	2.1
69.03429	8.7
69.07066	36.3
69.07424	1.0
71.04955	2.7
71.07341	0.8
71.40079	0.9
77.03881	0.9
79.05492	45.3
81.03421	6.3
81.07056	52.3
83.04972	5.3
83.08161	0.9
83.08612	11.8
85.02853	1.9
85.06496	1.6
86.09705	6.9
90.86713	0.6
91.03931	0.8
91.05476	28.6
93.07040	46.2
95.04971	7.3
95.08605	40.6
97.02886	11.8
97.06530	5.0
97.10163	14.0
98.98398	0.9
99.08069	1.5
103.05436	1.2
105.04460	1.6
105.07030	21.4
107.04959	7.7
107.08595	27.0
108.80619	0.6
109.02892	0.9
109.06521	3.6
109.10152	18.3
111.08034	2.6
112.61244	0.5
112.66438	0.6
115.05392	0.9
116.07037	0.6
117.06252	0.6
117.07008	9.5
119.04932	1.1
119.08581	16.3
119.52361	0.6
120.05671	0.8
121.06512	3.2
121.10137	17.1
123.08062	4.6
123.11685	3.5
125.00004	5.3
125.09607	8.8
127.07475	0.9
128.06187	0.6
129.07004	3.3
130.07758	1.3
131.08556	12.5
133.06494	3.3
133.10126	9.4
135.08054	4.1
135.10847	0.7
135.11694	8.4
137.09575	2.6
139.11055	0.9
143.08553	4.5
145.06422	0.8
145.10114	9.2
147.08041	5.3
147.11681	7.0
149.09581	2.2
149.13252	5.6
151.11172	1.1
153.09053	1.3
154.04662	0.6
155.08571	0.7
157.10110	2.9
159.08022	1.4
159.11673	5.5
161.09560	2.7
161.13211	3.0
162.10381	0.9
163.11154	1.7
163.14912	1.4
165.09096	1.7
165.12825	0.8
169.12213	0.6
171.10170	1.1
171.11658	2.7
173.11775	0.8
173.13220	3.5
175.11159	1.9
175.14793	1.4
177.12683	2.1
184.07333	25.7
185.13214	0.7
187.14842	0.9
189.11252	3.6
195.11827	0.6
195.13716	1.6
205.12213	2.1
211.13211	1.3
223.13272	19.7
227.12724	4.5
227.17838	1.3
243.21063	2.0
245.13866	1.0
245.19008	1.4
249.14824	3.0
253.14558	0.6
255.17349	1.0
259.20569	1.0
261.22098	8.1
267.15948	1.3
273.18469	13.3
275.19971	0.7
277.21616	0.8
291.19531	96.9
292.19904	1.6
309.20331	1.0
309.46140	0.7
314.25446	0.7
317.24747	2.7
333.24237	0.7
335.25790	92.0
336.26245	0.9
347.22134	2.8
365.23224	53.8
366.23685	1.2
465.85077	0.8
505.34976	1.0
527.37579	1.2
545.38361	4.4
551.40192	0.6
607.43579	2.5
625.44598	100.0
626.44720	3.7
749.36945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.6
57.06157	1.5
57.07062	1.6
65.03948	3.8
67.05508	31.4
68.96490	1.6
69.07075	22.3
69.27076	6.7
69.27515	6.4
71.04991	1.7
73.10139	1.4
77.78007	1.9
79.05504	28.7
81.03419	4.0
81.07063	46.6
83.04973	5.6
83.08617	5.8
85.06565	2.4
86.54150	1.5
91.05489	52.7
93.07050	34.3
95.01324	6.8
95.04976	8.3
95.08611	32.9
97.06548	12.3
97.10174	2.2
99.08139	2.8
101.63319	1.4
103.05491	2.6
105.07040	75.9
107.04966	14.5
107.08613	17.0
109.06538	3.5
109.10180	7.3
111.08097	2.6
117.07041	14.6
119.08589	40.3
121.06550	3.1
121.10148	10.7
123.08025	2.3
123.11679	2.3
125.09659	2.6
129.07019	5.4
131.08585	19.8
133.09151	2.1
133.10144	34.5
135.08066	2.9
135.11711	9.3
143.08574	7.6
145.06549	1.9
145.10124	16.2
147.07979	1.7
147.11711	19.5
149.09608	4.4
149.13268	5.4
151.11143	2.4
157.10146	4.9
159.11693	12.1
161.13251	13.7
163.11223	3.5
165.09085	1.6
167.06403	1.4
169.10097	1.9
171.11749	6.4
173.13271	6.8
175.14868	6.6
177.12801	3.5
179.14319	8.6
183.11703	2.6
184.07303	2.8
185.13275	3.9
187.11275	3.1
187.14870	1.7
189.12697	1.7
199.14848	2.6
200.29407	1.5
217.19604	1.7
241.19502	15.3
257.18991	5.3
259.20587	25.6
275.20090	45.5
293.21167	2.9
315.23175	7.9
324.07556	1.6
333.24240	50.0
334.24628	2.1
349.23773	42.1
351.25439	1.7
513.36035	3.6
607.43597	100.0
608.44092	2.5
625.44739	12.8
776.72980	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.8
57.07080	2.2
61.02912	1.4
65.03937	4.5
67.05505	90.6
69.03426	4.3
69.06721	2.1
69.07070	24.3
69.77551	6.0
71.04993	7.3
73.54068	1.2
79.05494	56.6
81.03416	5.1
81.07059	82.9
83.04983	23.2
83.08617	9.7
85.02913	3.1
85.06536	6.4
86.09709	2.1
91.04890	2.2
91.05482	65.4
93.07045	67.8
95.04967	11.6
95.08605	47.6
97.02896	2.0
97.06555	7.1
97.10188	3.1
99.04439	2.8
99.08115	1.4
103.05511	1.5
105.04494	1.2
105.07035	50.0
107.04979	7.0
107.05585	1.5
107.07870	2.4
107.08598	48.3
108.71717	1.0
109.06533	8.6
109.10159	56.0
111.04427	1.2
111.08065	3.1
113.06014	2.4
115.05462	1.1
117.07036	9.7
119.08590	18.1
121.06525	6.2
121.10139	19.2
123.04488	1.5
123.08080	3.4
123.11699	11.4
124.99981	2.3
125.09645	2.3
127.07532	2.6
128.06206	1.6
129.06996	3.8
131.08575	18.8
133.06471	4.5
133.10133	65.7
135.08066	5.2
135.11688	13.6
137.09636	2.8
137.13231	1.3
143.08542	4.5
145.10117	11.2
147.08073	3.6
147.11699	8.7
149.09651	6.1
149.13245	6.8
151.11183	30.7
153.12752	1.1
157.10115	3.2
159.08051	2.2
159.11708	6.3
161.09602	6.0
161.13223	5.1
163.11180	1.6
163.14824	1.9
169.10182	1.3
169.12262	4.5
171.11708	3.6
173.13257	4.4
175.11189	3.2
175.14912	1.6
177.09180	1.6
177.12875	2.1
179.10699	2.7
184.07368	8.2
185.13240	1.5
187.14799	2.6
189.12700	1.2
195.11607	1.7
197.11620	1.2
215.12825	2.9
217.12239	1.2
243.21039	3.0
245.19026	4.3
251.12640	1.6
253.14352	94.0
254.14702	1.1
255.17577	1.3
259.20566	2.4
261.22165	11.5
263.20010	3.8
271.15384	2.0
273.18503	23.2
291.19531	24.0
309.20602	2.6
317.24857	2.4
320.25879	1.5
322.42560	1.2
333.24219	2.2
333.94794	1.3
335.25793	100.0
336.26071	1.6
347.22177	7.5
365.23257	37.6
405.30121	1.6
417.29977	2.3
439.31781	1.8
457.33105	1.8
513.35773	5.4
529.35199	3.7
531.36859	35.5
543.40582	1.5
607.43494	6.2
625.44678	72.6
626.44788	2.3
643.45221	2.1
822.52905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.7
65.03938	5.6
67.05506	100.0
67.46694	1.2
69.03431	13.4
69.07066	32.3
69.52370	6.9
69.52779	2.4
71.04992	4.9
71.08627	3.2
73.02924	3.0
79.05495	77.9
81.03425	9.4
81.07058	92.8
83.04986	10.6
83.08616	12.7
85.02913	6.9
85.06519	4.4
91.03967	2.4
91.05482	65.3
93.07045	91.6
95.04954	11.4
95.08607	66.7
97.02895	9.2
97.06516	9.2
97.10170	5.1
99.04447	2.3
99.08097	7.1
103.05450	1.4
105.04503	3.6
105.07032	55.1
107.04967	3.0
107.08598	47.8
109.06525	5.5
109.10151	27.4
111.08090	6.0
115.05418	1.5
116.06226	1.8
117.07020	24.2
119.08582	51.2
121.06508	4.0
121.10146	38.8
121.11032	2.2
123.08062	3.7
123.11714	7.2
125.09691	3.4
127.03926	5.3
128.06270	1.8
129.05547	2.8
129.07033	7.9
130.07813	1.3
131.08572	29.3
133.10138	37.9
135.08057	3.1
135.10706	1.7
135.11694	20.8
137.09630	2.4
137.13268	1.7
139.11176	2.0
142.07817	1.5
143.08549	11.0
145.04971	1.5
145.10124	25.4
147.08022	1.8
147.11679	27.4
149.09583	6.2
149.13258	18.5
151.11134	2.5
151.66220	1.3
155.08574	2.1
157.10124	6.9
159.11690	24.1
161.09520	1.6
161.13264	14.2
163.11183	2.7
163.14833	3.6
169.10194	3.3
171.11676	10.7
173.13235	14.0
175.11238	1.8
175.14890	6.3
177.12776	2.7
179.14328	1.7
183.11690	3.8
184.07350	3.7
185.13263	7.9
187.14816	4.5
189.12743	1.9
189.16348	2.2
195.13802	4.8
197.13210	2.8
199.14859	4.6
201.16393	2.8
213.16521	2.8
215.17938	1.9
217.15915	2.1
227.12691	1.5
231.21059	2.4
233.22603	1.7
239.18036	1.6
241.19550	8.8
243.20993	4.5
257.19043	7.4
259.20590	28.9
261.22122	12.6
269.17422	8.1
275.20090	14.6
291.19644	1.5
293.21045	13.6
297.22061	2.0
315.23227	1.6
317.24643	3.1
331.22794	2.1
333.24271	25.6
335.25800	83.6
349.23895	8.0
367.24628	5.8
436.50348	1.6
489.35690	4.7
519.41901	3.6
523.38226	1.4
529.38922	41.2
541.38971	3.8
569.42047	2.5
593.45563	6.0
609.44849	5.6
611.46814	25.5
614.67126	1.6
627.46136	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19099	1.3
61.02923	3.1
65.03937	3.4
67.05508	92.2
69.03414	5.4
69.06731	1.8
69.07071	26.0
70.77843	4.1
71.05003	6.6
77.03889	1.7
77.69316	1.5
79.05497	84.7
81.03410	6.3
81.07060	100.0
83.04989	7.3
83.08624	16.7
85.02889	4.4
85.06530	6.5
86.09737	1.3
86.90382	1.4
91.03944	2.2
91.05482	74.4
91.07065	1.8
93.07047	96.0
95.04985	9.5
95.08611	75.6
97.02877	5.0
97.06525	11.8
97.10162	7.2
99.04440	2.1
99.08077	4.5
103.05389	1.5
105.04481	3.2
105.07033	59.1
107.04939	4.9
107.08599	60.4
109.06514	8.4
109.10163	28.9
109.33130	1.4
111.08102	6.7
115.05425	2.6
117.07019	28.2
119.08578	45.8
121.06497	2.8
121.10152	47.9
123.08056	7.3
123.11721	8.8
125.09621	5.7
127.03893	3.4
128.06221	2.4
129.07005	9.5
131.08569	38.5
133.10143	39.5
135.08028	3.7
135.11700	26.8
137.09566	3.8
137.13258	2.0
139.11197	3.2
141.07004	2.0
142.07819	1.9
143.08546	12.6
144.09329	2.3
145.09038	2.7
145.10121	29.8
147.07977	1.7
147.11697	28.8
149.09613	7.2
149.13260	16.5
151.11180	4.6
153.09119	1.8
153.12794	1.9
155.08551	3.7
157.10172	9.0
159.11693	26.6
161.13268	15.5
163.11180	5.2
163.14812	4.1
165.12712	3.1
169.10130	4.7
171.11653	10.7
173.11894	2.7
173.13269	15.7
175.11168	2.9
175.14838	6.5
177.12712	2.6
183.11662	3.5
184.07265	2.5
185.13254	8.4
187.11169	1.8
187.14816	15.6
189.11082	1.8
195.11765	2.1
195.13847	3.3
197.13278	4.1
199.14836	6.2
201.16403	2.9
203.17873	2.9
205.15875	7.1
211.14720	1.7
213.16350	3.9
221.18985	3.8
227.12820	5.7
229.14348	4.8
229.19490	2.4
231.21046	2.5
240.98334	1.5
241.19598	8.8
255.16019	2.5
257.19022	5.5
259.20599	27.3
261.22061	6.7
269.17487	6.6
274.83209	1.6
275.20074	16.8
277.21661	31.0
289.21948	1.5
291.19620	1.8
293.21121	11.5
315.23141	3.6
333.24240	26.4
335.25818	41.0
349.23813	11.8
351.25308	66.3
515.37085	5.6
529.38916	18.6
553.12616	1.5
569.41589	5.8
609.36017	2.6
609.45068	27.7
627.46045	18.0
673.20313	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	825.476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58664	0.3
61.02929	6.1
65.03916	0.4
67.05508	7.4
67.82949	0.4
67.93252	0.3
69.03431	3.5
69.07070	1.8
71.01358	0.4
71.05006	0.7
73.02920	3.4
79.05496	5.3
81.03426	2.3
81.07062	6.7
83.04992	0.6
83.08631	1.2
85.02912	5.6
87.04507	0.4
91.03955	3.5
91.05496	4.2
93.07047	5.1
94.07354	0.5
95.04974	0.8
95.08615	4.4
97.02896	4.9
97.06529	0.6
97.10169	1.7
98.20679	0.5
99.04458	0.5
101.02384	1.5
105.07029	2.4
107.04972	0.5
107.08601	3.6
109.02919	1.0
109.10187	1.3
117.07036	1.2
119.08588	3.2
121.06533	0.4
121.10170	1.9
123.11748	0.5
125.09652	1.1
127.03938	1.4
131.08620	1.3
133.10162	1.0
135.08093	0.5
135.11713	0.9
137.09711	0.3
143.08516	0.4
145.10132	1.1
147.11707	0.7
147.15050	0.4
149.09708	0.5
149.13275	0.4
159.11723	0.7
173.13333	0.6
184.07341	0.4
185.04292	0.8
212.51253	0.3
215.95192	0.4
216.88928	0.3
229.25752	0.5
243.08395	2.2
275.20087	0.5
276.20593	0.4
299.16202	0.5
329.17227	14.8
330.17926	0.4
335.25900	2.1
336.26260	1.5
349.23972	0.4
350.24356	0.5
385.19858	0.8
519.29413	4.7
547.25208	3.3
609.45184	0.7
610.45599	2.0
628.46747	0.4
651.49762	0.4
753.68628	0.4
825.47583	100.0
826.47931	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	825.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02649	0.3
61.02930	3.4
61.21730	0.3
62.35560	0.3
65.03953	0.4
65.86754	0.3
67.05175	0.4
67.05510	6.0
68.05838	0.4
69.03433	3.0
69.07064	1.3
71.01375	0.6
71.05007	0.4
73.02923	2.9
79.05500	4.5
81.03433	1.5
81.07060	5.5
82.07384	0.3
83.04979	0.7
83.08622	1.8
85.02911	4.9
87.04497	0.5
91.03963	1.7
91.05491	4.7
93.07047	5.2
94.07301	0.3
95.04959	0.5
95.08613	3.4
97.02903	3.9
97.06535	0.7
97.10160	2.1
99.04476	0.7
101.02402	1.4
105.07046	2.2
107.04960	0.4
107.08600	3.4
109.02905	0.5
109.10155	1.8
117.07014	1.4
119.08589	3.7
121.06534	0.6
121.10160	1.1
123.11779	0.3
125.09647	2.4
127.03968	0.9
131.08609	1.1
133.10162	1.2
135.08087	1.0
135.11714	0.7
138.83963	0.3
143.08658	0.5
145.04956	0.5
145.06508	0.3
145.10152	1.3
147.08130	0.3
147.11697	0.5
149.09644	0.6
149.13229	0.4
159.08073	0.7
159.11688	0.6
161.13358	0.5
163.11140	0.4
169.10156	0.4
173.13252	0.4
183.11914	0.3
184.07446	0.4
185.04254	0.7
189.11240	0.6
203.05438	0.3
227.12825	0.4
243.08418	2.4
271.16977	0.4
275.20175	1.1
275.97229	0.3
276.20502	0.8
299.16193	0.7
301.09232	0.4
315.10641	0.4
329.17224	10.7
335.25751	2.0
336.26266	1.3
349.23862	1.2
350.24188	0.6
369.15298	0.5
385.20023	1.2
438.26309	0.3
475.59274	0.4
495.27646	0.3
519.29504	3.7
544.73340	0.3
547.25232	6.4
609.45233	0.7
610.45758	3.0
825.47589	100.0
826.47675	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	826.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	2.5
61.02932	9.2
65.03938	1.2
67.05512	58.0
69.03440	2.1
69.07070	6.3
71.05007	2.6
71.08641	17.0
73.02923	3.4
79.05511	1.9
81.03432	0.7
81.06590	0.8
81.07065	14.4
81.51530	0.4
83.04982	0.5
83.08621	9.2
85.02914	12.2
85.06550	2.5
85.10189	9.7
85.10567	0.2
86.09707	1.3
89.05506	0.5
89.06036	1.0
91.03963	9.1
91.05488	3.6
93.07057	2.6
95.04999	0.4
95.08614	13.4
97.02895	6.1
97.06506	0.5
97.10170	2.7
99.04446	0.8
99.08121	0.7
99.11745	0.6
103.07590	1.1
107.08602	1.6
109.02926	0.5
109.10167	64.5
111.08096	2.6
111.11746	0.5
115.03957	0.7
119.08594	3.8
121.10205	0.6
123.11729	2.4
125.00019	0.9
125.09640	0.5
125.13245	0.5
127.03924	2.8
137.09628	3.1
137.13272	1.2
145.04984	3.8
155.10681	6.1
163.06029	5.0
173.10252	0.9
173.11748	15.4
184.07391	3.9
192.98108	0.4
214.45944	0.4
228.39539	0.4
229.14374	100.0
230.14699	1.2
239.23756	1.7
257.24823	1.8
285.15802	0.4
313.27393	80.4
314.27753	1.1
323.88666	0.4
339.28937	0.4
373.18884	0.6
467.37384	63.3
468.37631	1.6
714.45642	0.4
826.47290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.9
67.05499	5.4
69.03442	2.7
69.07071	2.6
69.15188	5.0
71.04996	0.6
71.08645	0.7
73.02914	2.4
79.05486	4.6
80.96751	0.5
81.03419	2.0
81.07063	4.3
83.05041	0.6
85.02908	3.2
88.30087	0.5
91.03954	1.8
91.05489	3.6
92.31737	0.6
93.07046	4.2
95.08591	3.3
97.02894	3.6
97.06510	0.9
99.04454	0.8
101.02391	1.6
105.07042	4.7
107.08601	2.1
109.02872	0.9
109.10182	1.9
110.10521	0.6
117.07060	1.2
119.08577	3.2
121.10148	1.5
123.11743	0.6
127.03916	0.9
131.08569	1.1
133.10159	2.2
135.11716	1.5
143.55344	0.5
145.10101	1.3
147.11745	1.7
149.09633	0.7
161.13261	0.8
179.14319	0.6
184.07378	1.9
185.04286	0.7
203.05203	0.6
204.64746	0.6
229.14380	1.6
230.14764	0.8
243.08405	3.1
313.27325	1.5
314.27676	0.8
315.10458	0.6
315.19202	3.8
371.17593	0.7
371.22070	1.0
397.18408	1.0
465.21091	0.9
467.37482	1.3
468.37891	1.3
495.22226	0.9
525.78290	0.7
533.27173	8.0
535.28815	6.2
605.29480	1.5
623.62170	0.7
827.49158	100.0
828.49213	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.8
65.03931	0.5
67.05165	0.8
67.05508	8.6
68.05841	0.8
69.03436	4.1
69.07082	2.4
71.01371	0.4
71.05003	0.7
71.08616	0.4
73.02921	4.8
79.05495	5.3
81.03430	2.2
81.07063	9.4
83.04981	1.1
83.08632	1.4
85.02911	5.5
87.04485	0.6
91.03969	3.2
91.05481	6.0
93.07043	7.1
95.04954	1.0
95.08609	5.7
95.88535	0.4
97.02888	5.3
97.06535	0.6
97.10184	0.4
98.20713	0.8
99.04458	0.9
101.02386	1.6
103.03954	0.5
105.07027	3.0
107.05044	0.4
107.08611	3.9
107.94844	0.5
109.02895	1.0
109.06518	0.5
109.10143	3.0
110.10497	0.5
111.08104	0.6
117.07040	1.3
118.96456	0.4
119.08615	1.4
121.10166	2.8
122.10510	0.5
123.11739	0.6
127.03934	1.4
131.08586	1.4
133.10161	1.7
135.11710	2.1
145.10170	0.9
147.08092	0.5
147.11749	0.5
149.09714	0.4
149.13278	0.8
151.11215	1.0
153.07109	0.4
159.11705	0.7
161.13322	0.5
163.11226	0.5
163.14880	0.5
173.13358	0.7
183.62512	0.4
184.07446	0.9
185.04335	0.4
243.08473	3.0
261.22141	0.6
269.17575	1.0
301.17609	0.5
331.18744	4.6
335.25867	2.6
336.26291	1.6
351.25406	0.4
429.17401	0.4
519.29279	6.8
529.38983	1.6
530.39099	2.1
549.26862	2.8
612.46844	1.1
827.49182	100.0
828.48828	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.6
65.03931	0.7
67.05508	10.4
68.05827	0.5
69.03431	4.9
69.07077	3.4
69.31590	3.0
70.11990	0.4
71.01363	0.7
71.05002	1.1
73.02919	4.9
79.05063	0.6
79.05499	7.5
81.03424	3.0
81.07058	9.8
82.07376	0.6
83.04993	1.2
83.08619	1.7
85.02426	0.8
85.02909	7.9
85.06557	0.6
86.97349	0.4
87.04489	0.6
91.03957	3.4
91.05484	5.8
93.07043	8.1
95.04983	1.6
95.08607	7.4
96.08947	0.5
97.02905	6.4
97.06564	0.9
97.10179	0.9
98.20788	0.7
99.04496	0.9
101.02393	2.1
103.03946	0.5
105.07036	4.0
107.04972	0.7
107.08586	3.7
108.08893	0.5
109.02899	1.2
109.06526	1.2
109.10148	3.1
113.31604	0.4
117.07037	1.5
119.08578	2.7
120.08900	0.6
121.06506	0.5
121.10152	3.0
122.10583	0.6
123.11749	0.9
125.00027	0.8
127.03967	1.7
129.05424	0.6
131.08595	1.7
133.10152	2.9
135.11722	1.6
143.08539	0.5
145.04974	0.8
145.10139	1.0
147.11726	1.2
149.09673	0.5
149.13322	1.1
151.11215	0.5
152.71169	0.4
159.11601	0.9
161.13277	0.5
173.13307	0.6
175.11287	0.5
184.07394	1.4
185.04301	1.3
193.12283	0.5
195.13760	0.5
203.05211	0.5
243.08382	2.6
269.17621	0.9
275.19992	0.5
313.17575	2.0
331.18805	5.1
335.25916	0.8
337.27502	2.3
338.27811	1.6
373.28568	0.5
443.18375	0.5
451.19409	0.7
518.39001	0.6
519.00208	0.4
519.29297	11.0
531.26050	1.0
531.40698	1.0
532.40790	2.5
549.27014	1.1
591.31830	0.8
612.46887	1.0
621.14532	0.5
729.41565	1.9
809.33380	0.6
809.48340	9.2
812.10718	0.4
827.49176	100.0
828.49109	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.3
67.05495	5.0
69.03437	3.1
69.07070	2.3
70.09715	1.1
70.10117	1.7
71.04990	0.8
71.08618	0.7
73.02917	3.6
79.05484	4.9
81.03419	3.8
81.07056	3.9
83.04967	0.6
83.08614	0.9
85.02905	5.6
86.09727	0.7
91.03962	3.0
91.05476	5.8
93.07034	5.5
95.04987	1.4
95.08595	3.6
97.02900	4.4
97.06551	0.7
97.10143	0.6
98.97601	1.2
99.04478	0.9
101.02388	2.0
103.03919	0.6
105.07040	4.7
107.04961	0.7
107.08595	3.0
109.02879	1.5
109.10192	1.3
117.07051	1.1
119.08602	2.8
121.10176	1.7
124.99997	1.0
127.03904	1.7
129.07083	0.6
131.08582	1.6
132.32565	0.5
133.10124	3.1
135.11722	1.8
145.05019	0.7
145.10173	0.9
147.11696	2.5
149.13289	1.0
157.10204	1.0
158.99712	0.7
159.11729	1.4
161.05957	0.6
161.13245	1.2
170.00446	0.5
170.99669	0.8
171.11827	0.7
173.13338	0.6
177.00700	0.6
183.06488	0.5
184.07370	2.0
185.04274	1.2
193.12288	0.9
203.05539	0.6
239.56323	0.5
243.08388	3.7
259.13205	0.7
259.20627	0.9
267.09128	1.8
267.15701	0.7
285.09900	1.2
301.09073	1.9
301.14511	0.7
313.27545	1.3
315.10733	1.6
317.12967	0.6
317.20804	1.0
335.26086	0.5
340.13031	1.5
368.66150	0.5
371.17410	0.8
373.11487	0.7
373.23416	0.9
429.17432	0.6
443.22922	5.8
459.24478	1.4
465.21155	2.4
468.24911	3.1
468.75137	0.8
525.23425	1.5
535.28815	13.6
607.30475	1.4
649.87354	0.6
663.36810	0.7
759.43201	0.7
829.50696	100.0
830.50806	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.9
65.03945	0.8
67.05511	5.8
69.03430	3.6
69.07088	1.6
69.60677	2.2
71.01357	0.3
71.04996	0.7
73.02917	4.8
79.05495	4.4
81.03432	1.7
81.07057	6.5
83.08620	0.8
85.02903	4.8
86.09718	0.5
87.04511	0.5
87.21012	0.3
91.03959	3.8
91.05477	2.4
93.07050	4.0
95.04991	0.7
95.08614	3.9
97.02897	5.2
97.06537	0.5
99.04459	1.2
101.02382	1.9
105.07027	1.9
107.08595	2.7
109.02896	1.0
109.06528	0.3
109.10154	1.5
115.03960	0.5
117.07053	0.7
119.08558	1.7
121.10152	1.8
123.11686	0.4
125.00070	0.6
127.03903	1.5
131.08601	0.8
133.10152	0.9
135.11742	1.0
145.10138	0.7
147.11684	0.5
149.13232	0.5
159.11694	0.5
161.49944	0.3
173.13297	0.4
184.07327	1.9
185.04321	0.6
185.07794	0.4
203.05270	0.4
243.08403	2.8
259.08170	0.4
275.82257	0.3
317.21027	0.4
333.20309	2.7
335.25842	0.8
389.23209	0.4
413.17780	0.3
453.20795	0.4
519.29260	6.0
535.28595	2.1
551.28204	2.8
731.43475	0.4
829.50720	100.0
830.50885	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	829.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	9.8
65.17286	1.2
67.05517	8.8
69.03117	1.4
69.03441	6.9
69.07070	3.0
70.68194	2.6
70.68571	2.9
73.02923	8.5
79.05492	7.3
81.03423	4.7
81.07059	12.9
83.04996	1.8
85.02914	11.5
86.09723	2.5
91.03950	7.6
91.05512	5.6
93.07057	9.5
95.08620	8.7
97.02879	9.7
101.02399	3.2
105.07067	3.0
107.08591	7.0
107.46805	1.5
109.02891	1.9
109.10198	4.2
119.08630	3.4
121.10175	4.0
123.11695	1.3
127.03936	2.8
131.08617	1.7
133.10176	3.1
145.10178	1.6
147.11758	2.2
149.13307	1.6
150.30515	1.3
184.07364	6.5
185.04193	3.0
243.08557	4.6
247.13222	3.6
251.74893	1.4
335.25876	3.5
367.52386	1.5
412.99493	1.3
465.20990	8.3
484.22916	1.8
519.29388	23.4
533.27234	1.9
569.60291	1.7
578.30988	1.8
591.31549	2.4
633.36340	1.6
662.40100	2.8
682.50073	1.5
702.43073	4.3
713.42603	2.8
715.45471	1.6
731.43561	3.6
743.43494	100.0
744.43793	2.5
783.46222	7.8
811.49622	16.7
829.50378	74.2
830.50342	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	831.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.3
67.05502	5.6
67.69883	0.5
69.03408	3.5
69.07067	0.7
70.47909	1.0
70.48309	1.2
71.01354	0.6
71.04984	0.5
71.08652	1.0
73.02922	4.5
81.03412	1.8
81.07056	1.6
83.08617	1.0
84.62925	0.5
85.02907	6.9
85.03374	0.9
85.10189	1.1
87.04494	0.6
91.03960	5.4
95.08615	2.2
97.02891	6.1
99.04454	1.1
101.02386	2.2
109.02885	1.3
109.10158	6.4
115.03957	0.7
123.11695	0.6
127.03944	2.1
137.64917	0.5
145.04977	0.8
155.10725	0.8
156.27788	0.5
173.11772	1.9
184.07489	0.7
185.04204	2.0
186.60750	0.5
195.09886	0.6
202.63789	0.5
203.05327	0.5
229.14403	0.8
243.08484	2.3
298.00690	0.6
306.82098	0.5
313.27548	0.9
347.09412	3.6
363.68951	0.5
365.10608	0.9
405.13583	7.2
413.17816	12.6
497.30789	6.7
575.23114	12.8
575.64508	0.7
659.36060	6.6
669.41687	4.0
674.13623	0.7
831.47034	100.0
832.47247	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	836.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.2
67.05509	20.1
69.03429	2.4
69.07049	4.5
71.04991	4.1
71.54790	2.1
73.02923	3.1
73.32585	1.1
79.05494	17.5
81.03419	38.0
81.07063	26.2
83.04974	7.2
83.08620	14.2
85.02914	14.4
91.03966	4.8
91.05485	15.3
93.07043	19.3
95.04977	12.3
95.08603	9.0
97.02892	8.1
97.06544	3.9
97.10179	2.8
99.04462	1.7
105.07035	9.1
107.04966	4.5
107.06086	1.3
107.08605	9.9
109.02956	1.1
109.06490	3.2
109.10181	2.2
111.04469	1.9
111.08088	4.7
115.51663	1.3
117.07059	5.9
119.08570	8.3
121.06557	2.4
121.10138	6.3
123.04433	1.5
123.08067	3.8
123.11747	1.5
125.09607	2.0
127.03920	2.1
129.07001	5.0
131.08553	7.8
133.06482	1.4
133.10170	7.4
135.08069	2.4
135.11673	5.4
143.08620	1.5
145.04982	3.0
145.06450	2.1
145.10110	7.3
147.04355	1.8
147.08049	2.3
147.11693	6.1
149.09621	3.5
149.13275	4.4
151.04057	1.4
151.11171	1.6
153.12669	1.6
155.08446	1.3
157.10185	5.8
159.11786	2.8
161.06050	1.5
163.06018	3.0
163.11147	7.1
175.11171	6.9
183.11693	1.4
193.12216	14.4
195.13808	2.9
209.11746	2.9
211.13313	7.7
227.12781	2.1
229.14282	1.6
240.03221	1.3
253.14377	1.9
267.09482	1.5
267.15918	48.8
269.17511	13.6
273.14954	2.2
283.15393	19.0
285.16910	5.4
301.14554	1.4
307.74017	1.6
367.22684	2.6
385.23874	3.1
433.25854	6.8
441.26364	3.0
459.27536	30.8
477.28500	100.0
478.28748	2.6
519.29431	3.2
824.06256	1.6
836.43030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.6
61.02643	0.8
61.02929	6.9
65.03929	1.5
67.05509	32.7
69.03439	4.2
69.07071	11.2
69.07661	0.7
70.70592	1.7
71.05007	4.8
73.02911	2.6
79.05496	24.4
81.03423	35.7
81.07061	41.7
82.54273	0.6
83.04987	8.8
83.08626	16.8
84.10252	0.6
85.02908	20.2
85.06544	2.9
87.04449	0.8
91.03967	4.9
91.04900	0.9
91.05484	23.8
93.07049	30.4
95.04975	15.1
95.08046	1.3
95.08608	12.3
97.02901	5.2
97.06523	7.9
97.10191	3.2
99.08109	2.3
105.07032	14.3
107.04960	3.7
107.08601	17.0
109.06540	3.8
109.10176	3.9
111.04473	1.7
111.08078	8.3
113.05999	1.6
115.05457	0.7
117.07024	3.6
119.08585	11.8
121.06504	2.3
121.10144	13.0
123.08070	2.1
123.11697	2.6
125.09590	1.3
127.03926	2.8
127.07561	0.7
128.06216	0.7
129.07021	6.6
131.08580	9.5
133.06473	2.0
133.10121	10.6
135.08080	0.8
135.11673	4.7
137.09688	0.7
139.11159	0.7
142.07780	1.5
145.05008	1.9
145.10152	1.2
147.08058	1.8
147.11690	7.3
149.09607	3.1
149.13263	12.6
157.10120	7.7
159.11684	6.0
163.06017	1.8
163.11205	0.6
165.12733	1.9
175.11186	9.7
177.12817	2.6
193.12241	27.2
195.13821	5.8
211.13301	30.6
249.15034	1.0
267.12997	0.9
267.15918	27.0
269.17487	51.4
285.16977	27.9
435.27457	2.4
443.27991	1.0
461.29013	73.3
462.29367	2.1
479.30075	100.0
480.30362	2.5
545.01233	0.8
605.18512	0.7
623.34412	2.5
732.86938	0.8
838.44672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84163	2.1
62.18645	1.9
65.03921	3.8
67.05507	50.9
69.03429	4.8
69.07071	34.5
71.05004	4.0
71.52895	2.9
75.53283	1.9
79.05061	3.6
79.05493	40.0
81.03423	12.3
81.07061	69.0
83.04984	8.8
83.08619	9.6
84.74825	2.1
85.06551	4.4
87.04477	10.1
91.05484	62.8
93.07050	47.3
95.01334	8.5
95.04997	10.0
95.08610	36.8
97.02913	2.0
97.06532	29.7
97.10151	6.0
97.51873	2.0
104.72579	2.1
105.07036	79.4
107.04970	17.4
107.08602	29.5
109.02913	2.7
109.06507	5.4
109.10160	9.2
111.08082	4.5
113.09669	2.2
115.05456	3.1
117.07022	18.6
119.08594	42.8
121.06518	6.2
121.10141	15.1
123.04431	2.1
123.08045	4.1
123.11736	3.2
125.09617	4.8
129.06995	6.1
131.08591	24.8
133.10138	39.9
135.08067	4.7
135.11696	16.5
137.09587	3.2
139.03857	2.2
139.11125	2.3
141.06953	2.6
143.08510	2.4
145.10135	22.0
147.11679	19.3
149.09624	11.1
149.13269	7.1
151.11273	2.5
155.08546	2.9
157.10175	5.0
159.11674	16.0
161.13243	7.7
163.11169	8.4
165.09132	1.9
169.10120	4.6
171.11696	3.4
173.13251	4.9
177.12691	4.9
179.14284	14.1
183.11697	3.9
187.11189	2.3
193.98698	2.0
197.13217	1.9
215.14395	2.7
242.93196	2.1
247.20474	2.4
251.16460	2.7
255.15971	6.1
257.19028	8.6
269.17523	19.4
273.87997	2.4
275.20071	86.2
279.15955	2.9
293.21243	4.0
296.74765	2.2
331.22775	2.1
349.23761	57.0
367.24777	5.8
503.33267	2.2
529.35272	29.9
543.36816	100.0
556.76794	2.6
596.92694	2.2
623.43066	46.0
641.44043	8.4
687.41046	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	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.0
62.35855	1.8
65.03928	3.9
67.05507	67.2
69.03403	5.2
69.07068	31.6
71.04976	4.9
71.53358	1.9
79.05019	2.1
79.05494	58.8
81.03427	10.5
81.07059	78.4
83.01329	1.7
83.04987	41.1
83.08627	15.8
85.02896	2.4
85.06544	2.3
87.04473	3.6
90.88111	1.6
91.05486	52.3
93.07050	54.8
93.07635	2.8
94.72628	1.5
95.01328	4.0
95.04967	11.0
95.08611	51.2
97.06531	17.8
97.10160	10.9
99.04456	2.6
99.08100	3.9
103.05509	2.3
105.04530	1.8
105.07037	53.2
107.04958	20.1
107.08600	38.7
109.06528	8.0
109.10141	19.7
111.04455	3.5
111.08059	6.1
115.05417	2.7
117.07018	16.4
119.08588	38.4
121.06496	6.6
121.10148	21.4
123.04414	1.9
123.08055	5.2
123.11692	4.0
125.09638	9.6
128.06236	1.8
129.07031	4.0
131.08586	23.7
133.10129	32.2
135.08037	10.4
135.11714	17.5
137.09599	5.2
137.77690	1.4
139.07538	2.1
141.07033	1.9
143.08562	7.9
145.06479	4.3
145.10124	23.3
147.08031	3.4
147.11685	16.3
149.09657	8.3
149.13261	7.9
151.11154	2.3
153.09052	2.0
153.12726	3.5
155.08484	1.7
157.10120	5.2
159.08060	8.1
159.11723	11.7
161.09619	4.1
161.13258	10.0
163.07491	2.2
163.11172	12.5
168.18242	1.7
169.10092	3.1
171.10341	2.3
171.11594	7.6
171.31493	1.6
173.09575	5.0
173.13268	6.9
175.11160	2.4
175.14816	2.1
177.12772	3.4
179.14250	9.1
180.52869	1.5
181.12216	2.5
183.11737	3.0
185.13258	2.5
187.11214	5.1
187.14787	2.2
189.11272	3.2
191.10680	4.2
193.12209	5.6
195.13855	2.1
197.13315	3.0
199.14845	2.0
201.16406	1.6
209.11719	2.8
211.13258	1.8
227.12759	7.5
241.19446	2.2
243.21164	2.1
246.88608	1.5
257.19006	5.0
259.20584	5.2
261.18469	7.0
261.22101	7.1
269.17401	6.3
271.16965	6.0
275.17334	3.1
275.20108	42.2
276.20425	1.9
277.21573	2.4
278.23068	2.0
279.15903	2.0
283.15430	20.8
289.18042	32.5
291.19357	2.1
293.21240	3.5
333.24402	12.3
335.25800	100.0
349.23801	20.4
351.25241	1.9
363.21616	25.0
381.22974	8.3
381.27237	1.8
469.33182	1.8
525.35663	2.3
530.35242	1.5
543.36853	49.2
554.50861	1.6
561.37451	5.0
595.44116	2.5
605.41882	2.5
607.43689	20.5
623.33374	3.1
623.43091	55.0
625.44684	2.8
641.44141	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	840.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.9
65.03925	0.9
67.05169	1.0
67.05505	12.8
69.03432	10.0
69.06760	0.8
69.07072	7.5
70.01756	2.8
71.04984	1.5
73.02920	10.3
79.05502	4.1
81.03421	10.4
81.07058	16.4
82.33370	0.7
83.08624	4.0
85.02901	20.7
87.43468	0.7
91.05462	4.3
93.07034	12.0
95.01317	1.5
95.04953	1.8
95.08606	100.0
97.02884	9.0
97.10163	2.2
99.04458	5.3
103.03923	2.2
104.40112	0.6
105.07038	7.5
107.08598	14.0
108.04542	0.9
109.02880	13.0
109.06500	1.9
109.10152	12.3
111.08031	0.7
115.03950	2.5
117.07018	1.2
119.08575	12.2
121.06495	1.5
121.10143	11.2
123.08079	1.7
123.11693	7.3
127.03918	25.8
129.06973	0.9
131.08572	3.0
133.04970	8.6
133.06488	1.1
133.10115	9.1
135.08040	1.2
135.11691	8.3
137.09612	2.3
137.13237	5.7
141.01813	4.1
143.08566	1.9
143.26640	0.7
145.04967	9.7
145.10098	5.3
147.08038	2.1
147.11687	7.2
149.09604	0.7
149.13260	5.8
151.14830	1.1
153.09171	0.8
155.08513	0.8
157.10153	3.0
159.02942	1.1
159.08083	2.1
159.11697	4.5
161.09647	1.6
161.13261	5.6
163.11185	1.0
163.14827	1.6
165.12758	0.7
169.04967	1.1
169.10124	0.7
171.08058	0.9
171.11708	2.3
173.09650	1.2
173.13269	3.2
173.38712	0.7
175.11165	1.8
175.14807	4.8
177.12770	1.7
177.16359	2.1
183.11743	1.0
185.13231	2.3
187.06010	29.7
187.11244	1.0
187.14821	5.2
189.12767	2.9
189.16379	7.5
191.14330	1.3
191.17957	9.5
193.15865	1.1
194.15324	0.7
197.13304	1.3
199.14857	2.4
201.12810	1.1
201.16415	6.5
203.14340	7.8
203.17955	7.3
205.07079	94.5
205.15878	1.6
205.19475	1.6
206.07379	0.9
211.14894	1.0
213.12848	0.8
213.16350	2.6
215.14354	1.5
215.17972	2.5
217.15913	3.8
217.19502	1.3
227.18034	1.4
229.16031	4.3
229.19543	2.4
233.15355	2.7
237.16211	0.8
239.18027	1.0
241.19507	2.0
243.17444	1.2
243.21060	1.2
245.18968	0.9
255.17485	2.6
255.21170	1.5
257.18909	4.7
269.19315	1.4
269.22495	0.9
270.17648	0.8
271.20520	1.6
283.20737	1.4
285.21915	1.1
311.23697	1.2
313.25262	7.2
325.25323	1.1
337.25131	1.0
345.08182	1.4
363.09259	3.8
365.32034	1.1
379.33536	1.9
381.10245	1.7
389.32022	5.7
397.34912	0.9
407.33081	94.4
408.33563	1.0
425.34158	24.5
455.35233	0.7
456.94104	0.8
463.30576	1.3
471.60516	0.7
580.10443	0.8
606.75293	0.7
746.84003	0.8
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
61.02921	4.9
61.22948	2.8
62.70161	2.9
65.03938	4.0
67.05507	93.1
68.05827	2.9
69.03421	14.0
69.06727	4.4
69.07069	61.6
71.04984	17.3
71.53698	4.6
73.02911	9.1
79.05499	87.3
81.03435	21.5
81.07064	97.2
83.04974	13.2
83.08612	14.5
85.02892	11.3
85.06550	7.5
85.78710	2.8
91.05486	60.0
93.06485	5.4
93.07047	90.4
95.04958	14.2
95.08607	57.4
97.02878	12.8
97.05915	5.8
97.06531	100.0
97.10146	5.1
99.04442	5.2
99.08085	7.9
99.97008	3.1
103.05502	3.4
105.04518	3.3
105.07040	45.3
107.04955	12.0
107.08595	46.6
109.06504	24.5
109.10159	28.0
111.04423	5.5
111.08080	7.0
115.05441	4.1
115.07556	35.6
117.06998	24.1
119.08582	29.3
121.06477	6.3
121.10154	30.4
123.08068	4.7
123.11689	6.4
127.03876	8.5
127.07595	3.6
129.07011	8.1
131.08562	32.0
133.06490	3.2
133.10129	27.4
135.08029	11.6
135.11694	16.9
139.11142	3.0
143.08556	10.5
145.10136	17.8
147.08038	9.0
147.11710	10.7
149.09663	6.9
149.13261	14.6
151.11108	3.9
157.10112	10.1
159.11688	16.5
161.09595	8.6
161.13239	7.6
163.11166	5.9
169.10144	4.2
171.11652	7.6
173.04497	4.3
173.13266	7.4
175.11324	3.5
177.12680	5.1
183.11713	5.1
184.07361	3.7
185.13266	4.4
187.14801	4.4
195.13770	7.1
197.13223	5.5
217.15842	12.1
221.15485	3.6
233.15350	3.7
243.21033	4.5
245.18950	5.5
255.17555	4.0
261.22165	7.3
267.15927	4.2
269.17426	20.9
273.18533	44.5
291.19458	19.6
293.21106	3.4
306.92545	4.1
307.19055	4.6
335.25806	92.5
347.22253	14.7
365.23199	14.2
383.24365	3.1
515.37634	4.4
529.39056	32.1
607.43604	7.2
625.44672	28.0
643.45172	11.8
647.15955	3.4
799.61713	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51399	3.5
61.02926	5.7
63.77584	3.1
65.03934	5.8
67.05510	100.0
67.05877	5.3
69.03425	8.4
69.06728	5.3
69.07072	63.2
71.05008	6.6
71.53985	4.6
79.05494	73.2
81.03419	7.7
81.07059	96.8
81.19112	3.2
83.04963	7.6
83.08620	13.2
85.00599	4.5
85.02917	7.2
85.06537	5.5
91.05477	63.5
93.07049	77.1
95.04976	11.4
95.08607	65.7
97.02869	7.1
97.06532	14.9
97.10183	7.2
105.07031	48.8
107.04948	6.7
107.08588	39.5
109.06499	5.7
109.10156	37.7
111.08118	6.2
117.06989	14.9
119.08591	37.6
120.96423	3.2
121.10146	26.1
123.08090	3.6
123.11704	6.1
125.09664	8.9
129.07019	6.3
131.08595	22.2
133.10123	25.7
135.08047	5.3
135.11684	12.8
137.09605	11.1
139.11122	3.4
143.08583	3.8
145.10136	24.8
147.11684	14.0
149.09621	15.7
149.13208	5.3
151.11151	3.6
157.10161	5.5
159.11696	15.6
161.13264	11.8
163.11130	5.3
163.14870	4.9
165.37933	3.5
171.11674	8.6
173.11798	6.1
173.13223	8.4
173.16629	3.5
175.14874	4.1
175.68779	3.2
177.12801	4.8
187.14816	3.8
197.13220	4.5
227.12852	9.3
229.14392	7.4
243.21359	3.7
257.18985	4.0
261.22195	6.0
273.18491	5.4
275.20081	31.8
291.19547	8.6
293.21124	3.9
331.22595	4.6
335.25787	74.2
349.23737	37.8
351.25479	3.6
431.31494	5.4
489.35779	23.0
513.39142	7.2
515.37482	4.9
529.38367	3.7
543.26532	4.3
609.45050	54.2
627.45551	8.0
762.53619	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	2.3
61.97247	2.2
65.03931	6.0
67.05511	85.6
69.03438	18.5
69.06683	2.9
69.07070	56.0
69.55569	11.7
71.05005	21.7
73.02921	3.8
79.05502	75.5
81.03430	19.0
81.07069	85.2
83.04990	19.1
83.08639	13.1
85.02885	9.4
85.06545	2.9
85.79510	2.2
91.05494	58.1
93.06487	4.9
93.07055	82.0
94.07359	2.7
94.21442	2.4
95.04969	16.1
95.08615	58.1
96.08913	2.8
97.02888	11.9
97.05917	4.3
97.06541	71.8
97.10160	5.5
99.08089	6.2
103.05437	2.5
104.90133	2.3
105.07046	43.3
107.04939	8.9
107.08603	40.2
109.02882	3.0
109.06516	18.0
109.10157	24.2
111.08052	7.3
115.05478	3.8
115.07571	26.2
117.06371	2.2
117.07049	17.8
119.08596	26.5
121.06500	6.2
121.10166	28.4
123.08087	6.7
123.11687	8.4
125.09624	4.7
127.03923	6.6
127.07520	2.7
128.06270	3.9
129.07008	7.7
131.08568	25.0
133.06500	3.5
133.10161	22.9
134.10474	2.8
135.08075	10.9
135.11713	19.5
137.09648	3.9
143.08568	9.0
145.06429	2.5
145.10144	15.8
147.08046	6.6
147.11732	12.0
149.09622	4.4
149.13295	11.9
151.11160	3.4
153.12779	2.6
155.08539	4.4
157.10077	8.2
159.08057	4.1
159.11688	14.7
161.09607	6.6
161.13269	5.7
163.11217	7.5
169.10110	2.5
171.11716	8.1
173.04489	4.8
173.13280	6.2
175.11128	4.3
175.14813	2.5
177.12711	4.1
185.13278	5.0
187.15022	2.3
189.12831	3.1
197.09720	3.0
199.11099	2.8
199.14906	3.2
217.15843	9.4
227.12740	2.4
233.15524	2.5
237.16356	3.0
240.87402	2.4
245.18872	5.5
253.14293	2.8
257.19327	2.4
259.20523	4.3
261.22073	10.4
269.17487	12.2
273.18527	24.2
275.20251	3.6
283.15408	7.4
289.18051	5.1
290.18362	6.4
291.19681	13.0
331.13116	2.4
333.24121	3.4
335.25836	100.0
335.29926	5.2
336.26044	8.5
337.26764	3.4
347.22086	10.2
365.23129	12.7
383.24210	2.9
515.38007	3.0
529.38940	31.0
544.36981	3.1
545.37836	4.1
555.39966	3.6
607.43011	8.1
624.42181	2.4
625.44580	31.0
643.45178	15.1
714.54706	2.5
841.47156	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88776	0.4
61.02928	5.2
61.79062	0.4
67.05511	2.4
69.03435	3.4
69.07066	1.1
70.73058	0.4
71.01366	0.4
71.05014	0.7
71.52615	0.7
73.02925	3.9
79.05492	2.1
81.03417	3.1
81.07053	3.3
83.04987	0.6
83.08619	0.6
85.02905	7.5
87.04430	0.6
91.03962	3.4
91.05506	3.0
93.07047	2.7
95.04985	1.4
95.08620	1.5
97.02892	6.4
97.06552	0.7
99.04481	1.0
101.02409	1.9
101.75576	0.5
105.07031	1.7
107.05012	0.8
107.08611	1.4
109.02906	0.9
109.10185	0.5
115.03958	0.4
119.08617	1.5
121.10160	1.3
127.03947	1.6
129.07048	0.7
131.08603	1.0
133.10155	1.4
135.11676	0.9
137.05885	0.5
145.04962	0.6
145.10199	0.4
147.11673	1.0
149.09567	0.7
149.13295	1.1
157.10202	0.9
175.11182	0.5
185.04253	0.8
193.12265	1.2
195.13835	0.6
203.05385	0.9
211.13385	1.1
235.12976	1.0
237.85751	0.4
243.08376	2.0
251.12619	0.6
259.86133	0.4
269.17438	0.6
307.15347	0.6
347.09518	2.5
365.10678	1.1
383.42978	0.5
405.13733	5.3
444.28244	0.4
453.20895	7.7
453.26675	0.6
466.79816	0.5
469.20493	8.3
519.29144	0.5
615.26178	4.9
631.25647	7.7
681.34625	2.6
745.34326	0.6
843.39825	100.0
844.39819	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	843.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92529	1.1
61.02929	7.2
67.05515	8.5
69.03429	5.0
69.07067	3.0
71.54324	1.9
73.02914	5.7
79.05499	8.9
81.03414	2.6
81.07071	8.1
83.04949	1.8
83.08618	1.5
85.02885	8.7
91.03976	5.7
91.05492	6.7
93.07047	7.3
95.04979	2.0
95.08612	7.9
97.02899	7.5
97.06538	2.2
99.04470	1.2
101.02397	2.6
105.07045	6.9
107.04948	1.5
107.08625	4.2
109.02901	1.5
109.10164	2.3
117.07016	2.2
119.08590	3.2
119.97217	1.2
121.10159	2.9
123.08090	1.8
125.00023	1.4
127.03924	2.6
129.05435	1.5
131.08604	2.2
133.10143	2.4
135.11722	3.2
145.10292	1.6
159.11745	1.6
168.69989	1.1
170.03491	1.3
179.14238	1.6
184.07343	2.8
185.04277	3.6
203.05530	1.1
221.11560	1.9
243.08385	6.5
301.08926	4.0
315.10617	3.0
315.19473	5.1
351.25217	1.8
369.15286	1.4
371.17291	2.2
371.21890	1.6
373.11084	1.6
385.18655	1.8
387.12814	1.3
415.16116	2.0
439.19513	2.3
465.20752	10.1
519.29321	16.8
533.27417	9.7
535.28912	1.7
546.39423	1.5
551.28430	1.9
566.71765	1.7
587.93317	1.4
591.31763	2.6
647.37439	2.2
717.41956	6.0
727.39874	1.6
745.41345	35.9
746.42102	43.6
757.41370	60.6
758.41815	1.4
812.00848	1.7
825.47052	7.0
843.48389	100.0
844.48419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.6
62.10402	0.6
67.05503	4.8
69.03432	2.5
69.07072	3.8
71.05008	0.8
71.54005	0.8
73.02930	2.8
79.05498	4.0
81.03416	3.3
81.07049	7.2
83.08629	1.1
85.02907	3.8
86.09706	1.5
91.03972	1.1
91.05479	4.5
93.07042	3.6
95.04953	0.7
95.08625	2.5
96.69825	0.5
97.02906	2.3
97.06530	1.2
97.10193	0.6
101.02381	1.4
105.07043	4.5
107.04981	1.2
107.08591	2.6
109.10192	1.5
113.57259	0.5
117.07028	1.7
119.08550	3.2
121.10143	0.9
125.00028	1.3
127.03970	1.1
131.08606	1.3
133.10139	2.0
133.53343	0.6
135.11674	1.0
135.16154	0.6
145.10143	1.1
159.11716	1.1
179.14307	0.7
184.07326	5.7
184.08813	0.7
212.29817	0.7
243.08394	3.2
248.17007	0.6
275.20224	1.3
311.25748	0.7
315.19257	2.9
333.20349	1.0
340.13394	0.7
371.21960	1.2
389.23279	0.7
439.19656	1.1
453.20917	0.9
513.19324	0.8
533.27142	9.4
551.28259	6.8
843.48584	100.0
844.49121	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19746	1.7
61.02924	6.8
67.05508	8.5
68.53522	1.5
69.03436	6.4
69.07070	2.7
70.78264	4.5
71.90699	1.5
73.02919	5.7
79.05505	7.6
81.03419	2.7
81.07069	7.5
82.03112	1.7
83.08646	1.7
85.02911	6.1
91.03955	4.1
91.05506	5.7
93.07061	6.9
95.04993	2.3
95.08627	4.8
97.02909	6.5
105.07053	3.0
107.08618	4.6
109.10175	2.5
113.27695	1.6
119.08585	2.5
121.10171	1.8
122.68200	2.0
127.03941	3.2
129.05510	2.2
133.10165	2.7
135.11673	1.7
161.51210	1.6
164.91054	1.7
184.07272	3.1
185.04311	3.9
198.25856	1.9
243.08521	6.6
253.41406	1.7
285.14435	1.6
301.09048	3.5
315.19327	2.1
327.87982	1.8
336.45071	1.6
351.21274	1.9
358.60992	1.8
369.15314	4.2
373.11218	2.0
385.18353	2.6
411.60489	1.7
439.19620	4.0
465.21158	3.6
467.19110	3.0
485.82632	1.8
513.65216	1.9
519.29321	15.2
533.27441	3.0
573.18176	2.0
591.31848	2.8
624.84265	1.5
717.41852	5.6
745.41364	30.9
746.42084	35.7
757.41357	15.9
825.46796	3.9
843.48346	100.0
844.47333	2.2
852.67987	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	1.7
61.02931	4.3
67.05513	7.9
69.03447	4.5
69.07066	3.1
71.04989	2.5
71.08639	2.1
71.54018	1.4
73.02927	3.1
73.37645	0.9
79.05498	5.1
81.03437	6.4
81.07066	8.7
83.05006	3.0
83.08624	1.0
85.02924	5.3
85.10196	1.4
86.09724	4.0
91.03970	2.3
91.05486	3.9
93.07057	5.6
95.08617	5.8
97.02901	6.7
97.06553	2.1
97.10175	1.2
99.04465	2.1
101.02436	2.8
105.07034	2.5
107.08626	4.2
109.02893	2.0
109.10186	2.8
111.04461	2.4
119.08611	2.6
121.10217	3.0
125.00046	3.5
127.03982	2.9
129.05592	1.5
131.08679	1.2
135.11760	2.8
140.61263	1.0
145.10109	1.6
153.12794	1.0
181.12366	1.0
184.07359	16.7
185.07825	2.4
227.12920	2.9
230.24004	1.1
243.08553	3.1
283.15552	3.2
307.73672	1.1
313.27469	6.2
332.57889	1.2
349.19913	6.1
427.19821	2.4
453.20990	1.9
519.29688	4.3
521.38892	1.1
539.39752	1.4
567.27936	4.2
665.42969	1.9
845.50262	100.0
846.51123	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08188	0.7
61.02926	5.3
62.13533	0.5
67.05509	6.0
69.03429	3.3
69.07076	1.9
70.30991	2.2
71.01375	0.8
71.04998	1.0
73.02918	3.1
79.05499	4.9
81.03424	2.6
81.07053	5.6
83.05011	0.8
83.08646	1.0
85.02907	5.6
86.09722	4.1
91.03954	2.9
91.05461	2.9
92.52395	0.5
93.07046	4.8
95.04955	0.9
95.08621	4.4
95.16319	0.5
97.02898	6.3
97.06552	1.1
99.04454	1.1
100.26060	0.6
101.02394	2.2
105.07043	1.6
107.08610	2.0
109.02902	1.1
109.10181	1.8
115.66566	0.6
117.07066	0.8
118.65855	0.5
119.08637	1.3
121.10173	1.9
125.00045	2.4
127.03951	1.6
131.08609	1.3
133.10176	0.8
135.11736	1.6
137.05713	0.6
149.13264	0.6
150.52330	0.5
159.11775	0.5
166.04086	0.5
184.07361	13.6
184.66084	0.5
185.04265	0.9
185.07674	1.4
243.08530	2.3
298.36887	0.5
335.25858	1.0
337.27551	0.8
349.19907	9.1
349.23764	0.6
398.44138	0.5
439.19763	1.0
453.20663	0.7
456.87860	0.5
461.66727	0.6
519.29242	5.6
520.29565	0.8
521.30042	1.0
531.86163	0.5
545.49530	0.6
567.27985	2.4
746.42175	1.2
747.41956	3.6
748.42889	4.6
759.42682	1.2
827.37726	0.7
845.50165	100.0
846.50415	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	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.8
66.25035	0.4
67.05515	4.3
69.03433	2.6
69.07073	2.5
71.04977	0.7
73.02927	2.9
79.05496	4.5
81.03423	2.1
81.07066	4.8
83.04981	1.1
83.08611	0.9
85.02907	4.0
86.09695	0.8
91.03960	2.7
91.05480	3.4
93.07053	5.1
95.08078	0.6
95.08587	2.5
97.02885	3.9
97.06520	0.8
99.04462	0.8
101.02404	1.8
105.04549	0.6
105.07042	3.4
106.22722	0.5
107.08604	2.4
109.02903	0.8
109.06550	0.5
109.10164	1.3
117.07016	0.7
119.08576	2.7
121.10168	1.8
127.03945	1.9
129.05434	0.5
129.07007	0.6
131.08612	1.8
133.10153	2.1
135.11687	0.9
145.10146	1.1
147.11714	0.9
149.13361	0.6
157.10150	0.6
159.11684	0.7
184.07355	2.0
185.04190	0.6
190.01059	0.5
203.05421	0.6
229.16083	0.6
230.97353	0.4
234.12761	0.5
243.08345	3.9
243.10362	0.4
279.01761	0.5
301.08975	1.6
315.10947	0.5
333.20517	3.5
371.16965	0.6
380.66766	0.5
389.22717	0.6
393.57248	0.5
429.17386	0.6
431.24341	0.6
453.21262	1.0
458.72394	0.5
465.21411	0.9
535.28735	6.9
551.28278	7.3
623.30713	1.0
845.50195	100.0
846.50293	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	847.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	1.6
67.05505	16.0
69.03421	10.8
69.07066	7.0
71.01362	1.6
71.05006	3.0
71.08624	16.4
71.08945	1.2
71.53972	1.6
73.02924	3.2
79.05492	11.2
80.83006	1.1
81.03416	43.3
81.07056	21.9
81.07516	1.3
81.37792	1.2
83.04977	8.1
83.08620	18.0
85.02912	13.5
85.10180	9.8
86.09705	2.8
91.03983	2.9
91.05479	11.4
93.07038	7.3
95.04958	12.6
95.08612	15.8
97.02896	10.9
97.10185	5.2
99.04458	3.3
99.63262	1.2
101.02412	1.4
105.07008	7.2
107.04980	2.2
107.08622	5.0
109.02905	6.3
109.06554	2.8
109.10134	5.6
111.04459	3.2
111.08111	5.3
117.07060	1.2
119.08606	7.5
121.10186	3.8
123.11732	3.7
125.09673	1.8
127.03911	5.8
128.52075	1.1
129.05498	2.0
129.07047	3.8
131.08600	4.6
133.10178	5.4
135.11751	1.7
147.08078	1.5
147.11670	7.7
149.09674	2.9
153.12767	1.2
157.10095	6.9
160.46005	1.1
165.12766	2.0
175.11176	7.6
181.12364	1.4
184.07425	4.9
193.12247	22.3
193.13855	1.7
211.13274	26.2
229.14444	2.4
233.75056	1.3
239.23741	2.3
243.08430	1.3
267.15906	13.9
273.15353	1.2
285.16943	12.9
313.27368	43.3
319.15729	1.5
337.16437	1.4
355.17749	3.7
393.19229	1.9
411.20328	4.0
429.21225	16.5
456.97852	1.3
505.38773	10.7
519.29907	2.2
523.39935	100.0
524.40216	2.2
547.40070	1.3
569.29474	2.3
649.42603	1.5
663.34222	1.9
667.44177	20.0
729.81030	1.3
745.45233	1.2
847.51770	43.0
848.52142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.7
60.01369	0.8
61.02935	10.2
65.03973	1.6
65.15945	0.8
67.05511	90.3
69.03424	3.5
69.07073	6.7
71.04975	3.3
71.08621	0.9
71.53605	1.0
73.02909	3.4
79.05496	18.4
81.03428	2.1
81.06587	1.9
81.07063	37.7
82.28539	0.9
83.04976	1.7
83.08624	8.3
85.02918	13.6
85.06547	2.4
91.03966	8.4
91.05479	12.3
92.06550	0.9
93.07053	22.3
95.04990	2.0
95.08612	26.9
97.02895	7.7
97.06550	1.2
97.10181	2.6
99.08058	1.6
103.03820	0.9
105.07049	7.5
107.08605	14.1
108.45474	0.8
109.02891	0.9
109.10165	78.6
111.08080	3.5
115.03866	0.9
117.07003	3.4
119.08569	11.8
121.10158	11.2
123.11740	4.2
125.09623	1.6
127.03893	3.1
127.41987	0.8
131.08577	6.9
133.10153	5.0
135.11740	6.8
137.09641	3.3
137.13268	1.4
145.05019	4.2
145.10120	4.3
146.77061	1.0
147.11687	3.4
149.13275	4.6
155.10663	6.2
159.11684	3.4
161.13295	2.1
163.06049	6.1
163.14821	2.3
164.82352	1.0
173.11774	18.1
173.13271	3.0
177.16373	1.6
184.07324	2.3
187.14828	2.4
189.11249	1.2
214.80725	0.9
227.12756	7.9
229.14368	100.0
243.21127	5.9
261.22134	17.6
285.99115	0.8
317.24762	2.2
335.25824	64.5
379.29889	1.7
397.31345	2.1
415.32114	2.3
422.54208	0.8
462.21851	1.1
471.34607	2.9
489.35788	53.8
490.35977	1.6
507.36896	8.1
598.19861	1.0
838.77423	1.2
848.51288	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	4.9
60.88700	0.8
61.02927	10.8
65.03954	2.2
67.05507	100.0
69.03423	2.5
69.07075	8.1
69.44604	1.0
71.04990	3.2
73.02917	4.8
73.22222	0.8
79.05495	19.8
81.03423	2.1
81.07061	37.0
83.08628	9.7
85.02905	15.7
85.06527	3.4
87.04446	0.9
91.03967	8.6
91.05484	15.6
93.06477	1.7
93.07046	24.6
95.04977	1.7
95.08610	27.7
97.02886	7.4
97.06506	1.2
97.10178	2.9
99.04449	1.0
105.04481	0.9
105.07044	8.4
107.08597	17.3
109.02889	1.0
109.06515	1.1
109.10161	75.6
110.10519	0.9
111.08091	3.3
117.07027	3.7
119.08595	12.8
121.10151	11.1
123.08099	0.9
123.11742	4.5
125.09630	1.3
127.03893	4.1
129.80161	0.9
131.08548	6.3
133.10152	6.7
135.11696	10.9
137.09615	3.9
137.13271	1.1
144.06520	1.0
144.21581	0.8
145.04973	3.6
145.10110	5.7
147.11713	4.7
149.13274	5.9
155.10672	5.7
159.11752	5.4
159.12840	0.9
161.13277	3.8
163.05995	4.9
163.14841	2.8
173.04570	0.8
173.11752	18.9
173.13280	4.7
175.14861	2.1
177.16292	1.2
184.07420	2.0
187.14803	2.3
189.11270	0.9
201.16249	1.2
210.26563	1.1
227.12784	6.6
229.14359	96.7
230.14751	1.7
243.21136	6.7
261.22150	23.1
317.24759	3.9
335.25797	78.7
336.26218	1.0
379.29938	1.6
397.30957	1.9
471.34570	2.8
489.35764	87.8
490.35724	1.9
507.36954	10.1
524.29120	0.9
633.39337	1.0
848.50568	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	852.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02642	0.4
61.02926	4.4
65.03942	0.6
67.05502	8.4
67.63551	0.3
69.03434	2.3
69.07059	3.0
71.01340	0.5
71.05000	2.3
73.02914	1.7
77.03896	0.4
79.05492	10.5
81.03419	25.1
81.07057	13.0
83.01366	2.2
83.04986	7.9
83.08618	12.0
85.02908	14.6
85.03288	0.2
85.03442	0.4
85.06529	0.9
85.56188	0.3
87.04477	0.4
91.03963	3.7
91.05479	11.8
93.07044	11.1
95.04372	0.6
95.04969	10.1
95.08611	5.5
97.02892	4.6
97.06541	2.2
97.10175	1.9
99.04470	1.6
99.08044	0.7
101.02337	0.5
103.05499	0.3
105.07027	9.6
107.04957	5.5
107.08597	5.5
109.02869	0.7
109.06512	3.8
109.10180	1.4
111.04445	2.1
111.08085	4.5
113.06007	0.9
115.05474	0.5
117.07028	2.5
117.07771	0.4
119.04967	0.8
119.08582	8.0
121.06501	1.6
121.10149	5.7
123.08073	3.6
123.11725	0.9
125.05985	0.7
125.09618	0.8
127.03902	2.0
129.07016	4.0
131.08577	5.3
133.06503	1.0
133.10126	4.6
135.08058	1.0
135.11684	3.5
135.12617	0.5
137.05989	0.3
137.09627	1.3
142.07773	0.8
143.08589	0.5
145.04955	1.6
145.06537	0.6
145.10117	6.9
147.08052	1.7
147.11687	5.9
147.12787	0.4
149.09654	2.6
151.11229	0.4
153.11688	0.3
153.12758	1.4
155.08519	0.5
157.10141	5.4
163.06006	2.2
163.11177	10.0
163.12544	0.5
165.12749	1.1
167.07133	0.4
173.09607	1.3
175.11179	5.1
181.12285	1.4
187.05315	0.3
191.10696	0.9
193.12245	16.7
209.11713	2.4
211.13297	25.5
212.13556	0.3
227.12813	1.3
249.14830	0.5
255.21030	0.3
267.15900	7.3
267.18573	0.6
283.15399	31.5
285.16962	23.1
383.22037	1.5
401.23447	1.0
457.26025	3.6
475.26926	17.1
476.27487	0.6
493.27972	100.0
494.28159	2.0
637.31995	1.2
704.17993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
65.03906	0.5
67.05508	24.5
67.05870	1.1
69.03400	1.3
69.07069	9.1
69.20790	4.1
70.89561	0.4
71.01356	2.5
71.04996	2.1
71.08639	12.4
71.09007	0.6
73.02879	1.9
79.05496	19.8
81.03419	3.5
81.07059	14.7
83.04981	5.4
83.08611	6.5
85.02438	0.6
85.02905	7.4
85.06543	2.2
85.09727	0.4
85.10185	7.2
89.06024	0.5
91.03463	0.5
91.03958	4.3
91.05483	6.6
93.07047	22.8
95.04980	2.4
95.08611	12.0
97.02895	3.4
97.06536	6.7
97.10178	9.9
98.21516	1.1
99.04414	0.9
99.08044	1.9
103.07573	0.6
105.07033	2.2
107.04955	1.1
107.08596	17.8
109.09493	0.5
109.10167	7.2
111.08082	1.0
111.11703	0.8
117.06989	2.2
119.08595	2.4
121.06457	0.7
121.10131	3.3
123.11708	2.3
125.09595	1.3
127.03892	1.5
133.10127	2.4
135.08093	0.6
135.11699	32.8
137.09563	0.7
137.13206	1.0
145.04909	1.5
145.10127	5.2
151.66220	0.5
153.12744	1.4
163.05988	2.0
163.11200	3.7
181.12254	7.2
199.13260	1.2
228.24704	0.5
239.23701	1.2
241.40599	0.4
252.18263	0.5
255.15919	100.0
256.16220	0.7
257.24701	1.0
313.27374	39.9
493.38910	82.9
494.39310	1.2
609.45221	0.6
667.14001	0.5
690.65491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63424	0.3
61.02927	7.7
65.03934	1.4
65.93994	0.3
67.05503	20.1
69.03429	5.5
69.07067	5.8
69.34675	2.7
71.01349	0.6
71.05000	4.1
73.02911	3.1
77.03903	0.4
79.05492	23.4
81.03417	71.9
81.07056	24.6
81.07444	0.4
83.04983	15.9
83.08619	25.6
85.02905	33.6
85.06539	1.7
87.04460	0.7
91.03960	6.8
91.05481	32.4
93.07042	17.4
95.04967	30.3
95.08605	10.1
97.02893	8.4
97.06525	4.3
97.10168	4.0
99.04455	1.1
99.08076	1.6
103.05446	0.4
105.04519	0.5
105.07029	22.6
107.04954	7.8
107.08593	7.8
109.02911	0.8
109.06521	5.5
109.10155	3.6
111.04454	3.1
111.08077	12.9
113.05992	3.1
115.03893	0.4
115.05465	1.5
117.07001	2.0
119.04929	0.7
119.08580	19.3
121.06513	2.3
121.09322	0.6
121.10147	9.5
123.08065	2.6
123.11708	2.6
125.06001	0.4
125.09608	2.5
127.03886	2.3
127.07551	1.0
128.06242	0.7
129.07007	12.5
131.07578	0.7
131.08565	13.5
133.06514	3.1
133.10130	13.9
135.08046	0.4
135.11681	0.5
137.06010	0.5
137.09613	2.4
137.13213	0.5
140.69922	0.4
142.07785	3.2
143.08493	0.6
145.04945	2.2
145.06499	0.5
145.10094	2.4
147.08070	4.0
147.11688	18.8
149.09608	6.9
151.07533	0.5
151.11221	0.7
155.08563	0.6
157.10132	17.1
163.06030	2.1
163.11200	1.4
165.12743	3.9
168.85115	0.3
175.11185	20.5
193.12242	55.0
194.12621	0.6
199.63354	0.3
211.13286	83.2
212.13759	0.7
223.19388	0.4
227.12811	0.5
229.14452	0.4
233.15298	0.5
249.14853	1.2
267.15915	48.4
268.16315	0.6
273.14905	1.2
285.16956	87.1
286.17291	1.0
291.16025	0.4
349.21707	0.9
367.22699	3.8
385.23724	3.9
403.24680	1.2
429.21234	0.6
433.25797	2.9
441.26334	2.3
459.27417	39.7
460.27704	1.1
477.28470	40.5
478.28915	0.5
495.29535	100.0
496.29785	2.2
563.02643	0.3
621.32043	0.9
639.33441	2.8
684.46417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.3
67.05507	80.1
69.03432	9.4
69.07066	32.7
71.04993	5.6
71.08610	2.0
71.54102	3.2
74.03168	1.5
79.05495	55.9
81.03417	11.5
81.07059	94.4
83.04986	13.9
83.08624	16.1
85.02896	3.8
85.06554	7.1
89.06024	2.1
91.05482	73.9
93.07043	58.3
95.04975	15.2
95.08607	34.2
97.02892	6.4
97.06538	14.9
97.10184	5.1
99.04487	1.9
99.08091	2.4
103.05489	3.1
105.04531	2.9
105.07032	67.3
107.04971	14.0
107.08598	42.4
109.06518	13.3
109.10158	48.4
111.08086	5.7
115.05527	2.1
116.46996	1.7
117.07010	15.8
119.08581	25.9
121.06491	9.6
121.10149	15.9
123.08080	7.3
123.11696	11.2
125.09644	4.9
127.03854	2.1
127.07549	2.4
128.06204	2.6
129.05490	2.8
129.07002	9.1
131.08597	22.0
133.06520	4.0
133.08582	3.0
133.10130	74.8
135.07983	9.1
135.11719	13.8
137.09647	5.2
139.11200	2.0
143.08559	8.5
145.06535	1.7
145.10117	18.0
147.08051	5.6
147.11676	13.9
149.09622	19.0
149.13271	7.1
151.11185	30.5
153.09099	1.9
157.10115	5.9
159.08093	3.6
159.11691	13.1
161.09607	6.3
161.13245	4.5
163.11130	10.7
165.12854	2.4
168.45439	1.8
169.12231	3.1
171.11668	5.1
173.13284	4.7
175.11229	5.2
177.09166	2.0
177.12723	4.4
179.14352	2.8
183.11739	3.2
185.09743	2.5
185.13234	2.2
187.14772	2.6
195.13783	3.8
215.12837	4.0
227.12761	3.8
227.17982	2.1
229.19493	2.7
245.19048	8.3
247.20551	3.1
248.79350	2.3
251.12779	2.9
253.14357	100.0
255.15837	5.7
257.19043	7.8
263.20087	2.2
267.15829	3.6
269.17462	20.6
271.15454	4.0
273.18524	26.5
275.20068	31.8
291.19574	27.1
293.21124	3.1
347.22122	8.0
349.23743	21.7
365.23264	30.5
367.24710	5.1
413.21661	2.9
447.27338	5.4
451.26971	4.2
463.19931	2.5
463.26727	2.0
465.28360	10.9
527.33936	4.2
541.35455	10.0
545.34760	21.7
559.36285	46.4
560.36945	2.8
623.42737	2.5
639.42566	13.5
642.89203	2.0
657.44226	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42834	1.0
65.03950	2.7
65.82697	1.0
67.05505	48.0
69.03430	14.2
69.07070	37.1
71.54174	1.5
73.02906	1.9
74.05514	1.0
79.05497	40.6
79.05960	1.9
81.03414	9.6
81.07057	51.7
83.04980	11.4
83.08618	13.0
85.02887	4.1
85.06523	2.9
91.05483	34.1
91.06072	1.1
93.07041	39.3
95.04955	12.6
95.08606	22.9
97.02901	14.4
97.06541	11.4
97.10165	14.6
99.04454	1.4
105.07026	27.3
106.07336	1.2
107.04961	11.9
107.08597	27.2
109.06544	5.2
109.10161	13.0
111.04494	1.4
111.08086	4.4
115.05431	1.3
115.88995	1.0
117.07018	14.0
119.04914	1.2
119.08583	19.9
121.06500	4.8
121.10157	10.8
123.08103	5.1
123.11716	2.4
125.05923	1.6
125.09640	12.9
127.03902	1.9
128.06201	1.2
129.06979	4.8
130.07762	1.3
131.05017	1.0
131.08569	16.2
133.06493	2.8
133.10130	15.0
135.08102	6.8
135.11679	9.9
136.44176	1.0
137.09599	3.7
141.06946	1.6
142.07730	1.3
142.52757	1.0
143.08534	6.2
145.06467	2.3
145.10135	10.4
147.08032	5.8
147.11690	7.5
149.09618	9.4
149.13274	6.5
151.11171	3.8
155.08554	2.3
157.10094	4.4
159.11703	10.7
161.09595	4.1
161.13246	2.8
163.11153	6.8
165.12737	1.2
169.10089	2.6
171.10202	1.7
171.11639	3.2
173.04552	1.5
173.09567	2.4
173.13269	3.9
175.11205	3.6
177.12767	5.3
179.10632	1.2
179.14322	3.3
183.11687	1.6
185.13243	1.5
187.11111	2.3
189.11201	7.0
189.12709	1.2
193.12256	1.4
195.13779	3.5
197.13147	1.7
205.12247	1.8
207.14090	1.0
218.63745	1.2
223.13306	16.0
227.12787	11.3
231.17622	1.2
233.84146	1.3
239.18007	1.4
245.13780	1.1
245.19048	1.3
249.14697	2.1
253.14407	4.4
255.15800	6.2
257.19095	6.1
261.15045	1.4
267.16003	2.5
269.17468	17.6
273.18481	14.9
275.20068	22.0
291.19547	100.0
292.19955	2.4
293.21039	2.5
309.20663	1.7
331.22620	1.3
347.22195	3.4
349.23749	23.2
365.23230	50.7
367.24884	2.5
461.28931	1.6
535.32452	1.2
541.35168	2.8
545.34607	15.7
559.36273	57.4
560.35956	1.5
575.34131	1.3
599.39551	1.3
610.77625	1.3
621.41260	3.9
639.42511	27.2
657.43573	6.2
703.40906	1.5
773.05548	1.3
854.44873	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	855.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46136	0.5
67.05515	3.8
69.07070	1.3
69.95972	0.6
69.96310	2.2
70.79879	0.4
71.08633	2.0
71.95261	1.7
74.97592	0.7
76.29597	0.4
78.40520	0.4
79.05505	2.2
81.03424	1.4
81.07054	5.0
83.08643	1.4
84.95519	1.1
84.96040	20.9
85.10192	0.9
86.70348	0.6
91.05510	1.2
93.07040	2.6
97.99203	0.7
98.97591	24.7
102.97083	1.6
105.07039	0.6
107.08602	1.3
109.10167	1.2
110.97578	8.5
112.99162	3.1
116.98624	7.2
119.08572	0.7
121.10165	1.3
123.11755	0.9
124.99117	12.3
125.98650	0.7
126.97089	1.1
128.98616	7.1
131.00200	1.5
131.08595	0.6
134.99684	1.5
135.11734	0.8
136.99150	2.0
139.00684	1.9
140.00226	2.2
140.98592	6.0
143.00174	19.2
143.01265	1.1
144.98099	9.6
146.99670	3.1
148.29880	0.5
149.01286	0.7
152.00240	1.0
154.01741	0.6
154.93239	1.3
155.00148	6.4
157.01756	2.4
158.99661	3.9
161.01237	9.3
162.93820	1.5
162.99135	4.4
164.98674	1.8
166.01741	2.6
167.00201	0.9
170.99675	0.7
172.94337	1.9
173.01237	4.3
175.02782	1.4
177.00696	0.8
179.02444	0.6
180.94804	8.1
182.99672	11.2
184.02911	1.1
185.01314	1.4
186.00809	1.0
189.00749	0.6
190.95401	0.8
191.02298	0.5
194.96349	1.1
195.96111	0.5
198.95851	8.5
201.00726	12.6
203.02344	1.3
203.96442	0.8
206.96481	1.3
210.95860	1.1
212.97472	1.1
216.96994	1.2
219.01837	2.6
221.97552	1.6
222.95859	3.1
224.02420	1.7
224.97493	2.9
228.96825	2.7
233.97543	0.6
235.99561	0.6
236.97490	1.0
240.96936	8.4
242.98528	2.9
246.95892	3.0
246.98145	0.9
254.98466	0.6
258.98001	2.9
263.98581	0.9
264.96915	13.9
264.99576	0.9
267.00858	0.5
274.97739	0.6
282.97958	27.9
287.98605	1.3
295.19489	1.9
300.99020	15.1
301.02194	1.0
303.00708	0.7
305.99561	3.9
313.20517	10.8
313.27313	3.0
317.17865	17.6
319.19495	1.0
324.00601	1.3
331.21646	4.3
335.18982	4.8
335.25537	2.9
336.22369	1.5
341.02243	3.8
351.22153	0.7
357.01706	1.2
358.20755	1.6
359.03375	1.2
364.04004	0.8
369.23184	1.3
373.20605	3.0
547.11737	0.4
573.31152	0.5
573.49579	0.6
577.23541	18.3
595.24481	4.8
599.22028	27.6
600.22070	0.7
617.23291	0.6
618.26178	1.9
636.85236	0.5
837.42072	0.6
855.46002	100.0
856.46222	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	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.2
65.03931	2.4
67.05507	75.4
69.03434	9.3
69.07070	42.7
71.04984	7.3
73.02901	3.2
74.42473	1.8
77.03911	2.9
79.05493	61.3
81.03422	17.4
81.07059	100.0
83.04980	15.1
83.08611	17.9
85.02919	7.5
85.06554	3.1
91.05485	60.1
93.07050	70.0
95.04975	13.8
95.08614	44.0
97.02896	7.8
97.06524	22.3
97.10191	10.5
97.35516	1.6
98.21543	3.4
99.04448	3.6
99.08111	4.7
103.05467	2.5
105.04533	2.1
105.07034	47.5
107.04975	11.6
107.08596	48.7
107.09302	3.1
109.02872	3.9
109.06532	9.8
109.10177	18.5
111.04439	2.2
111.08096	7.5
111.11710	1.8
113.09683	2.4
115.05495	2.7
117.07025	22.9
119.08585	38.8
121.06522	7.2
121.10141	23.0
123.08064	6.4
123.11704	3.9
125.09631	8.2
127.03899	5.3
129.07005	11.4
130.07712	1.8
131.08580	27.0
133.06454	2.3
133.10138	32.4
135.08060	6.3
135.11696	21.1
137.09653	4.2
141.07030	3.7
143.08571	8.0
144.09328	1.9
145.06494	2.0
145.10136	23.6
147.08047	3.4
147.11690	16.9
149.09619	18.7
149.13248	16.8
151.11183	2.6
155.08548	3.9
157.10109	5.4
159.11688	27.3
161.09647	2.6
161.13318	5.5
163.11130	11.3
163.14705	1.9
163.41707	1.7
169.10153	5.9
171.11703	4.8
173.04494	4.5
173.13268	7.8
175.11304	2.2
177.12758	4.7
179.14279	2.7
183.11673	5.1
184.07306	2.6
185.13271	4.1
189.11188	3.7
193.10130	2.1
195.12239	1.7
195.13765	11.6
197.13269	4.2
209.13359	2.3
227.12688	8.4
229.19569	2.6
239.17961	5.0
247.20538	2.8
251.13968	2.3
253.14494	2.5
255.15858	13.2
257.19095	10.2
267.15955	2.9
269.17484	46.8
275.20099	51.0
293.21136	5.6
313.21793	2.1
331.22653	3.5
332.27066	1.7
349.19711	3.6
349.23758	45.5
367.24857	8.9
413.21353	3.5
431.28012	2.4
435.27356	1.8
445.29269	3.6
449.29013	27.9
463.30560	35.9
464.30725	2.3
481.19586	2.2
503.33231	2.9
525.35699	3.6
529.35413	11.9
543.36877	43.1
561.38116	9.1
607.34650	4.7
623.42798	9.1
641.43774	5.4
696.17987	1.9
729.66760	1.8
782.24927	2.4
856.45990	14.6
857.45697	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.7
65.03932	5.9
67.05506	100.0
69.03425	12.9
69.07069	56.3
70.61765	9.0
71.05005	6.7
73.02917	3.2
73.70019	3.1
79.05064	6.4
79.05499	82.8
81.03426	17.5
81.07059	93.7
83.04981	16.3
83.08610	18.6
84.43027	3.2
85.02898	8.4
85.06536	7.4
86.09648	3.0
91.05483	87.7
92.05817	3.9
93.07048	92.0
94.07345	4.3
95.04948	16.4
95.08609	59.1
97.02895	10.2
97.06538	17.6
97.10157	8.5
99.04436	3.7
99.08070	5.3
105.04547	3.0
105.07035	83.7
107.04958	9.1
107.08606	54.2
108.08897	3.0
109.02877	5.4
109.06513	11.3
109.10151	30.9
111.08090	10.8
117.07018	28.8
119.08588	56.2
121.06479	7.5
121.10155	27.1
123.08062	7.9
123.11719	8.5
125.09628	10.8
127.03950	3.9
127.07668	3.1
129.07033	17.5
131.08568	34.7
133.10133	47.9
135.08052	7.2
135.11681	21.6
137.09637	5.5
141.07028	6.0
142.07787	4.2
143.08569	16.8
145.10126	29.7
147.08031	4.4
147.11697	24.1
149.09633	19.2
149.13271	13.9
151.11189	5.5
154.07823	4.2
155.08539	8.9
157.10097	16.5
159.08006	4.2
159.11684	23.8
161.09605	6.7
161.13278	11.2
163.11176	14.5
165.12762	3.0
169.10138	11.5
171.10374	3.5
171.11646	14.2
173.11803	5.5
173.13268	12.8
175.14967	4.5
177.12726	7.3
179.14360	4.2
183.11702	8.3
184.07373	4.4
185.09706	4.0
185.13281	10.2
185.49449	3.4
187.14813	3.7
189.11267	3.7
195.11656	4.4
195.13826	3.7
197.13295	8.7
199.14871	4.6
209.13284	4.7
211.14845	3.9
213.16382	3.5
217.15691	3.7
219.13852	3.1
223.14845	3.2
227.12794	5.6
229.14313	8.4
229.19545	3.7
241.19542	6.4
253.14212	14.9
253.18286	3.6
254.14743	10.0
257.19034	7.8
259.20630	15.6
269.17459	15.6
273.18625	5.1
275.20108	26.5
291.19565	5.3
293.21146	9.9
333.24408	15.4
335.26074	4.0
349.23730	22.9
350.24112	4.0
367.24890	3.7
411.08466	3.7
463.30420	4.4
513.35901	23.9
527.37286	11.8
543.36230	5.7
551.40649	3.7
559.36334	6.2
561.37360	8.4
607.43622	18.2
623.42761	4.1
625.44806	14.8
641.43652	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.1
64.59203	0.6
65.03936	4.0
67.05508	100.0
69.03429	3.3
69.07072	16.0
71.01352	0.9
71.03051	1.1
71.04993	3.8
71.08640	0.7
73.02917	2.0
75.04464	0.6
75.65504	0.5
79.05496	41.3
80.55935	0.5
81.03426	9.6
81.07061	60.5
83.01317	0.6
83.04988	8.0
83.08625	14.7
85.02909	12.9
85.03431	0.7
85.06533	3.9
86.63600	0.6
87.04470	5.0
91.03956	1.0
91.05486	24.2
93.07048	44.0
95.04977	6.5
95.08613	40.8
97.02910	4.1
97.06526	5.2
97.10175	14.6
99.08083	2.0
103.03971	1.3
105.04552	1.5
105.07036	15.7
107.04971	2.1
107.08599	24.1
109.06533	2.5
109.10162	58.8
111.04450	1.1
111.08093	4.0
111.11729	0.9
117.07021	7.4
119.08588	16.3
121.10150	18.9
121.11031	0.9
123.08078	2.5
123.11702	4.8
124.79628	0.6
125.09627	12.5
125.10551	0.7
127.07569	0.7
129.05502	2.3
129.07033	1.9
131.08574	9.6
133.10132	7.5
135.08061	1.8
135.11702	13.0
137.09627	4.3
137.13225	1.7
139.11179	1.6
143.07013	0.7
143.08577	1.2
143.10684	2.7
145.10133	10.2
147.08049	0.9
147.11694	6.0
149.09628	1.7
149.13277	5.1
151.14894	0.6
153.09091	0.7
153.12756	2.5
155.08623	1.3
155.10683	3.9
157.10127	2.0
157.24232	0.7
159.10388	0.9
159.11687	5.2
161.13249	3.5
163.11172	8.0
163.14819	2.6
170.80865	0.7
171.11641	1.5
173.09628	1.8
173.11746	14.8
173.13280	4.3
175.11238	0.7
175.14818	1.6
177.16318	0.7
181.12247	2.5
185.13197	0.9
187.14749	2.9
189.11247	1.4
191.10735	2.2
193.12251	2.6
197.13213	0.6
199.13269	6.8
199.14824	0.9
201.14763	0.8
201.16441	1.4
209.11763	4.7
211.13333	1.8
217.14330	1.3
227.12819	7.4
229.14363	47.2
241.19411	0.7
243.21127	4.4
245.13945	0.7
257.13782	1.1
259.20624	1.0
261.22162	16.2
267.15842	3.4
277.21454	0.8
279.23251	1.1
283.15497	3.0
285.17041	0.9
301.16452	15.0
315.23239	0.8
317.24722	2.6
327.22998	1.2
333.24207	0.8
335.25812	88.9
336.26154	1.1
345.24728	0.8
363.25357	1.2
399.23801	14.7
433.30264	0.7
451.31766	1.0
469.33289	0.9
477.29822	0.9
477.35938	8.2
489.35767	16.8
490.36700	0.7
543.36584	2.7
561.37860	7.2
579.38635	3.4
659.45190	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
65.03928	4.7
67.05506	81.8
69.03432	12.0
69.07069	41.2
71.01328	1.3
71.04974	5.5
73.02914	2.4
79.05495	69.0
81.03421	17.1
81.07059	100.0
83.04978	15.5
83.08617	21.3
85.02914	6.5
85.06552	6.5
87.04473	1.7
91.05481	66.1
93.07047	72.4
95.04970	12.1
95.08606	45.2
97.02879	6.7
97.06541	20.3
97.10167	11.5
98.21476	4.4
99.04456	2.1
99.08087	4.9
103.05470	2.3
105.04502	1.7
105.07032	49.8
107.04964	12.0
107.07866	2.3
107.08593	43.3
109.02882	1.5
109.06506	11.8
109.10159	19.1
111.04436	2.0
111.08079	9.3
113.09666	1.8
115.05431	2.1
117.07019	25.3
118.09782	1.2
119.06074	1.5
119.08584	37.5
121.06519	7.8
121.10149	22.1
123.04454	1.2
123.08044	5.3
123.11709	6.3
125.09624	7.6
127.03922	3.1
128.06195	2.2
129.05496	2.3
129.06990	10.8
131.08580	33.5
133.06474	4.0
133.10126	33.4
135.08078	7.5
135.11690	21.3
137.09607	3.9
137.13240	2.4
139.11145	1.4
141.07022	2.5
142.07785	2.4
143.08560	9.6
143.90263	1.1
144.09326	2.6
145.06482	2.5
145.09038	2.1
145.10127	26.7
147.08035	4.8
147.11697	17.8
149.09624	19.7
149.13272	13.6
151.11211	3.7
154.07867	1.3
155.08524	6.7
157.10114	10.9
159.11690	20.1
161.09569	3.0
161.13237	7.7
163.11191	15.9
163.14793	2.4
165.12793	3.4
169.10097	7.1
171.08134	1.5
171.10339	2.3
171.11653	7.8
173.04523	2.9
173.09625	1.7
173.13251	8.1
175.11227	2.7
175.14783	1.3
177.12781	5.7
179.08569	1.8
179.14334	5.0
181.10123	1.9
181.12245	2.3
183.11646	6.3
184.07304	3.6
185.13277	4.8
187.11208	2.4
187.14619	2.5
189.11203	4.0
189.12799	1.3
195.11823	2.8
195.13809	8.9
197.13272	4.5
199.14874	2.9
201.12750	2.7
205.12180	1.5
209.13203	2.6
211.14835	2.2
213.14687	2.0
213.16469	2.0
227.12781	11.5
228.97943	1.3
229.14250	2.7
229.19409	2.2
233.15370	1.8
235.14714	1.4
239.17972	4.7
247.20583	4.2
251.16319	1.6
253.14285	2.6
255.15910	14.3
257.19006	14.2
259.20499	2.0
267.15903	3.5
269.17477	42.0
275.20062	51.8
291.19495	1.5
293.21078	4.4
297.22568	1.3
303.15851	1.5
331.22662	4.2
333.24420	1.4
349.23746	45.0
367.24734	6.5
395.20575	1.4
413.21344	1.5
431.28116	2.8
433.30707	2.3
435.27167	3.5
439.27075	1.5
445.29367	4.0
447.31345	1.8
449.28995	24.1
451.31915	1.6
463.30548	25.6
469.32788	1.7
503.33954	1.7
515.37445	2.5
525.35907	6.0
529.35400	10.3
534.58026	1.3
543.36841	50.6
544.37238	1.8
547.35876	3.0
561.38055	6.9
593.33124	2.7
607.34741	1.9
623.43292	9.7
641.44226	6.5
687.40887	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.8
63.18991	1.4
65.03938	2.1
67.05505	63.3
69.03428	6.8
69.07075	15.6
69.94061	7.2
71.01360	3.7
71.04996	2.3
73.02930	2.1
79.05497	47.9
81.03423	19.6
81.06579	3.3
81.07056	58.7
81.95242	1.8
83.01321	2.1
83.04981	15.0
83.08620	13.8
85.02919	12.4
85.06539	3.4
91.05484	28.3
93.07048	53.6
95.04967	10.4
95.08611	41.3
95.76752	1.6
97.02889	11.0
97.06532	11.8
97.10157	6.9
99.04459	2.3
99.08067	2.6
105.06387	2.5
105.07036	18.6
107.04968	13.9
107.08596	32.2
107.65803	1.8
109.02878	2.7
109.06510	5.4
109.10156	22.6
111.04447	5.4
111.08077	5.1
117.07023	13.2
119.08588	21.3
121.06483	2.3
121.10137	21.9
123.08069	5.2
123.11697	3.3
125.06033	1.7
125.09610	6.7
127.03900	3.5
129.05505	2.3
129.06989	3.5
131.08578	12.2
133.10114	9.3
135.08020	4.5
135.11693	21.6
137.09619	4.0
143.08611	1.7
145.10132	22.8
147.08083	3.4
147.11671	8.5
149.09676	4.3
149.13280	6.4
153.12761	12.3
155.08586	2.7
159.11740	4.9
161.13269	3.6
163.11191	26.1
163.14818	2.7
173.09636	5.4
173.13199	3.5
175.14836	1.7
175.48917	1.6
181.12228	3.5
185.13225	1.8
187.14873	2.8
189.11292	1.9
191.10677	7.1
199.13264	2.1
209.11754	15.2
227.12770	12.4
229.14342	5.8
243.21094	3.2
255.16074	2.2
259.20538	2.5
261.22153	9.8
265.14182	3.2
267.15872	1.8
272.65256	1.5
279.22925	1.8
283.15417	16.9
299.24039	2.0
301.16455	35.6
306.60156	1.6
317.24756	2.3
333.24625	2.1
335.25824	65.0
335.29971	3.1
399.23767	2.7
433.30774	3.8
445.20630	3.4
451.32254	2.4
469.33173	2.8
489.35696	2.8
525.35645	11.0
543.28229	2.4
543.36810	58.6
561.37878	100.0
562.38171	3.0
641.43878	7.3
659.45123	2.3
705.41705	7.0
731.03772	1.8
856.50940	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	856.5786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.8
64.98986	1.3
65.03940	3.5
67.05511	100.0
67.80495	1.3
69.03423	6.0
69.06718	2.2
69.07072	25.0
70.68878	2.2
70.69272	2.3
71.05000	14.8
77.03909	1.7
77.15581	1.1
79.05497	62.0
81.03414	13.1
81.07062	90.1
83.04990	9.4
83.08630	17.5
85.02890	3.5
85.06532	4.1
91.03968	1.5
91.05490	45.0
93.07050	69.8
95.04984	10.2
95.08614	58.0
97.02888	4.5
97.06527	13.9
97.10181	7.4
99.08106	2.3
102.99991	1.3
103.05466	1.6
104.69378	1.4
105.04569	1.4
105.07034	32.0
107.04975	5.4
107.07875	2.5
107.08601	48.0
109.06528	7.4
109.10164	42.4
111.08101	5.8
113.06003	1.2
115.05507	1.6
117.07029	18.1
119.08586	24.1
121.06516	3.8
121.10149	27.7
123.08099	2.6
123.11676	7.6
125.09641	4.0
126.56256	1.3
127.03962	1.9
129.07021	4.1
131.08565	18.8
133.06548	2.0
133.10136	20.2
135.08047	3.9
135.11714	19.3
137.09612	3.1
137.13304	2.0
143.08519	5.9
145.10138	15.1
147.11699	15.1
149.09598	8.0
149.13260	14.2
151.11183	2.7
153.12721	1.4
155.10657	2.8
157.10126	4.3
159.11713	15.0
161.13255	5.5
163.11182	6.0
163.14867	3.0
165.12836	1.9
169.10165	2.7
171.11670	3.0
173.09570	1.6
173.11748	7.3
173.13290	6.5
175.11195	1.7
175.14876	2.0
177.12694	2.5
183.11787	2.2
185.13194	1.8
187.14838	2.6
189.11229	1.8
189.12804	1.3
193.12259	2.2
195.13843	3.4
197.13220	1.6
199.01166	1.4
199.14868	1.7
199.79054	1.5
213.14819	2.4
219.17535	1.4
227.12794	7.1
229.12128	1.9
229.14372	36.4
243.21173	3.7
247.20566	1.4
257.19012	4.8
261.22195	12.1
267.15961	3.6
269.17490	12.1
275.20071	17.2
277.21725	1.7
293.21036	1.8
301.16452	1.8
317.24591	2.2
331.22711	2.6
333.24170	2.5
335.25815	88.9
339.18027	2.5
349.23700	17.8
381.26312	4.6
405.26071	1.6
413.21613	7.8
435.31989	1.6
437.34003	2.0
455.34808	1.6
489.35748	22.6
507.36426	2.6
511.37848	1.6
515.37451	1.6
527.37579	2.7
529.38904	86.6
530.39557	2.1
543.36597	2.2
545.38110	3.0
561.37848	5.6
569.42175	14.6
609.45227	31.7
627.46533	6.8
641.47931	12.7
673.42822	9.2
691.44128	2.5
857.48322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.0
67.05507	2.0
69.03432	3.8
69.07063	0.7
71.01364	0.7
71.04997	0.7
73.02917	4.3
79.05491	2.2
81.03416	4.7
81.03854	0.3
81.07051	2.2
83.04997	1.1
83.08627	1.6
85.02910	7.9
85.06566	0.2
87.04472	0.5
91.03960	3.9
91.05489	2.9
93.07040	1.3
95.04975	1.9
95.08621	1.1
97.02893	6.6
97.06557	0.5
99.04463	0.9
101.02369	2.2
103.03997	0.3
105.07034	2.1
107.04965	0.8
107.08633	0.8
109.02905	0.8
109.10217	0.4
111.04474	0.3
111.08112	0.5
115.03954	0.5
117.07001	0.3
119.08573	1.6
121.06466	0.3
121.10179	0.8
123.08060	0.3
124.04201	0.2
127.03905	2.1
129.05641	0.2
129.07039	1.0
131.08586	1.2
133.06569	0.4
133.10129	1.2
137.05998	0.4
137.09604	0.4
145.04996	0.7
145.10222	0.3
147.08014	0.3
147.11699	1.3
149.09644	0.5
157.10086	1.4
163.07487	0.3
175.11139	1.4
185.04282	0.7
193.12270	2.3
201.03743	0.3
203.05322	0.9
211.13300	1.6
232.14688	0.2
243.08368	2.2
251.12598	1.7
267.09048	0.4
267.15884	0.3
271.08612	0.4
285.17151	0.6
289.09460	0.4
290.31805	0.2
307.15329	0.9
308.11642	0.3
347.09473	3.1
348.14807	0.3
363.08807	0.3
365.10477	1.2
366.52679	0.3
405.13663	5.6
439.18964	0.3
440.18164	1.0
440.68106	0.5
469.20456	15.8
470.21051	0.4
534.67432	0.3
607.96942	0.3
631.25708	13.6
642.56848	0.3
697.33948	2.7
859.39301	100.0
860.39026	3.0
893.71930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4821
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02939	4.8
67.05511	5.5
69.03452	3.3
69.07076	2.4
71.04990	0.7
73.02923	3.9
79.05513	3.7
81.03436	1.8
81.07066	5.0
83.05003	1.1
83.08631	1.1
85.02921	4.9
91.03986	1.6
91.05495	5.1
93.07052	3.0
95.04995	1.7
95.08612	3.6
97.02887	3.5
97.06549	1.0
99.04498	1.2
101.02423	1.7
105.07040	3.0
105.98380	0.5
107.04993	1.3
107.08610	2.2
109.02914	0.8
109.06543	0.8
109.10190	2.1
117.07055	1.2
119.08609	2.6
121.10182	1.3
123.08094	0.7
127.03973	1.1
129.06996	0.5
131.08624	1.3
133.10197	2.5
135.11734	0.8
137.09595	0.6
145.04985	0.6
145.10188	0.8
147.08109	0.6
147.11787	0.6
151.11154	0.6
184.07466	1.0
185.04280	1.2
193.12244	0.9
243.08441	3.0
301.09076	0.7
315.10492	0.8
331.19000	2.1
333.20480	1.9
383.84128	0.6
389.23184	0.7
439.19162	1.1
451.19534	0.7
453.21182	1.3
531.26019	2.0
549.26953	3.3
551.28339	7.9
613.44580	0.6
623.30127	1.5
761.41168	1.1
773.41016	1.6
841.47021	7.2
853.42920	0.6
859.48193	100.0
860.48590	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	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02937	2.5
65.72559	0.4
67.05513	4.8
67.93967	0.4
69.03430	2.8
69.07063	3.6
69.37135	1.5
69.37562	1.4
71.04984	0.6
73.02911	2.3
79.05499	3.4
81.03422	1.6
81.07046	3.8
82.73629	0.3
83.04974	1.0
83.08617	1.2
85.02905	3.0
87.04459	0.4
91.03961	1.7
91.05492	2.8
93.07050	3.3
94.07320	0.4
95.04988	0.6
95.08618	1.6
97.02892	3.2
97.06551	0.6
97.10179	1.6
101.02380	1.2
105.07053	1.3
107.08585	2.5
109.02878	0.7
109.10174	1.1
114.49840	0.4
115.03907	0.5
117.07037	1.1
119.08600	1.6
121.06464	0.5
121.10157	1.1
121.13712	0.4
122.40906	0.4
123.08045	0.6
125.09627	1.3
127.03886	0.9
129.06990	0.6
131.08580	1.0
133.10117	0.9
135.11717	1.0
138.26430	0.4
144.50748	0.4
145.10201	0.5
147.11726	0.8
174.38089	0.4
184.07379	0.7
223.13335	1.0
243.08467	3.5
291.19684	1.4
331.18985	1.4
333.20462	1.8
387.21481	0.6
389.23227	0.6
439.19614	1.0
453.20969	0.7
469.68723	0.5
549.26758	6.1
551.28253	5.9
761.40948	0.6
827.34839	0.4
859.48108	100.0
860.48895	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	859.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.5
65.03937	0.4
67.05519	4.9
69.03435	2.4
69.07081	2.9
71.05007	0.5
71.53295	0.5
73.02921	3.0
79.05505	4.4
81.03429	1.7
81.07074	5.2
83.04984	0.8
83.08646	1.1
85.02926	3.2
91.03961	1.8
91.05497	3.3
93.07063	3.7
95.04996	1.1
95.08618	2.4
97.02907	3.7
97.06555	0.7
97.10208	0.7
101.02412	1.5
105.07047	2.9
106.73908	0.4
107.04995	0.7
107.08606	2.7
109.06535	0.9
109.10181	1.4
117.07096	0.5
119.08625	1.1
121.10209	1.0
123.11745	0.8
125.09697	0.7
127.03985	1.1
129.07028	0.4
131.08647	0.8
133.10179	1.4
145.10153	1.1
147.11697	0.6
149.13315	0.5
151.11293	0.4
184.07356	0.4
223.13422	0.6
243.08459	3.3
291.19781	1.1
301.18179	0.6
331.19037	1.2
333.20538	1.3
335.25891	0.4
345.82257	0.4
371.87744	0.4
389.23285	0.4
403.49045	0.4
439.19623	1.2
453.21082	1.5
469.20679	0.6
530.39746	0.5
549.26776	6.3
551.28442	5.6
623.29779	0.4
741.41882	0.4
761.40790	0.5
859.48175	100.0
860.48114	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.4
67.05513	5.1
67.70003	0.4
69.03442	2.5
69.07088	2.2
71.01357	0.5
71.04999	0.9
73.02919	2.7
74.85874	0.4
79.05501	3.7
81.03435	1.9
81.07069	4.6
83.05008	0.6
85.02926	3.2
86.09724	0.6
91.03960	2.0
91.05495	3.9
93.07059	4.1
95.04990	1.2
95.08617	2.4
97.02895	3.7
97.06561	0.5
97.10171	0.6
98.21542	0.9
99.04457	0.9
101.02422	1.6
105.07031	2.5
107.04985	0.6
107.08617	1.9
109.02919	0.5
109.06533	0.5
109.10209	1.4
111.04455	0.4
117.07053	0.8
119.08611	1.7
121.10183	1.1
123.11688	0.5
127.03922	1.0
131.08629	1.2
133.10167	1.3
135.11726	0.8
138.85945	0.4
145.10176	0.5
147.11693	0.7
149.13243	0.4
159.11736	0.4
184.07346	2.0
229.29352	0.6
243.08409	3.2
275.20392	0.5
333.20505	3.5
389.23187	1.3
439.19443	2.0
453.20850	2.1
469.20822	0.6
551.28375	11.8
763.42303	0.9
861.49725	100.0
862.49890	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	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.9
65.03957	0.4
67.05507	4.6
67.83788	0.3
69.03429	2.5
69.07070	3.0
71.01369	0.4
71.05006	0.7
73.02911	2.1
79.05490	4.2
81.03410	2.1
81.07060	5.8
83.04968	0.7
83.08620	0.9
85.02903	3.4
86.09715	0.4
91.03954	2.0
91.05492	3.2
93.07044	3.9
95.04988	1.3
95.08625	2.5
95.09196	0.4
97.02901	2.9
97.06526	0.7
98.20708	0.7
99.04471	0.6
101.02406	1.3
105.07022	2.9
107.04910	0.3
107.08614	1.3
109.02887	0.5
109.06545	0.5
109.10180	1.2
117.07014	0.7
119.08555	1.4
120.32059	0.3
121.10166	1.2
123.08073	0.7
125.09593	0.3
127.03944	0.8
127.29884	0.3
131.08604	0.9
133.10143	1.2
135.08138	0.4
135.11723	0.9
137.09647	0.4
145.10120	0.6
147.11752	0.9
149.09731	0.5
149.13322	0.6
159.11742	0.6
163.11247	0.4
184.07320	1.8
185.04205	0.4
188.30446	0.4
203.05301	0.5
229.16716	0.4
243.08432	2.8
275.19897	0.4
333.20380	4.0
389.23026	1.0
439.19461	2.1
453.21078	1.9
469.20386	0.6
551.19720	0.7
551.28278	12.4
648.87006	0.3
861.49670	100.0
862.50287	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.6
67.05506	6.3
69.03426	2.8
69.07072	1.4
69.47534	2.9
71.04986	0.4
73.02917	3.1
79.05489	1.9
81.03429	1.4
81.07056	3.2
83.08611	1.2
85.02909	4.9
87.04457	0.4
91.03953	3.6
91.05500	1.4
93.07086	2.0
95.04978	0.5
95.08596	2.5
97.02892	4.8
99.04462	0.5
101.02358	1.8
102.63909	0.4
105.07053	0.7
107.08628	1.3
109.02847	0.7
109.10150	5.3
116.33155	0.4
119.08613	1.1
121.10165	0.8
123.11728	0.5
127.03931	1.7
131.08609	0.6
133.10178	0.6
135.11748	0.8
145.04962	0.5
147.11754	0.4
155.10666	0.6
166.55515	0.4
173.11792	1.7
185.04265	1.3
195.10014	0.6
201.03691	0.4
229.14572	0.8
241.06845	0.4
243.08420	2.9
301.08945	2.5
315.10461	0.5
335.25970	0.9
373.11191	1.2
385.18155	2.4
413.17896	8.5
441.21249	0.5
457.20474	0.5
469.20676	1.1
476.49222	0.5
503.41345	0.5
519.29388	7.3
519.36975	0.5
545.96832	0.4
549.26489	0.5
578.30603	3.1
591.31305	2.1
633.36053	0.6
662.40100	1.9
691.40277	100.0
692.40497	3.4
717.41315	0.8
719.43457	2.2
747.42761	2.9
763.42108	0.5
793.43518	0.7
861.49695	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	861.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	8.3
67.05506	8.3
69.03434	6.6
69.07072	4.4
70.60539	1.9
71.04979	1.3
73.02929	5.5
76.33352	0.8
76.55318	0.9
79.05499	8.7
81.03436	3.5
81.07071	7.9
83.04987	2.3
83.08643	1.9
85.02919	7.4
91.03987	4.2
91.05476	5.2
93.07069	7.4
95.04996	3.0
95.08601	4.8
97.02899	7.6
97.06531	1.8
97.10206	1.1
99.04462	1.5
101.02386	2.3
104.05778	1.1
105.07037	6.2
107.04978	1.5
107.08624	3.8
109.02877	1.8
109.06546	1.3
109.10173	2.2
115.38770	1.0
116.55976	1.0
117.07041	1.6
119.08607	2.1
121.10157	2.4
127.03976	1.8
129.05498	1.0
129.07057	1.4
131.08614	1.1
133.10187	3.5
135.11743	2.2
137.24501	0.8
140.33646	0.9
147.11710	2.0
149.13336	1.0
159.11745	0.9
171.11630	1.1
181.66777	0.9
184.07434	3.4
185.04265	3.0
243.08447	5.9
247.13274	1.8
266.74512	1.0
301.08954	5.6
315.10623	1.3
333.20416	5.7
369.15579	1.3
373.10992	1.6
385.18631	2.9
387.12695	1.3
389.23343	1.7
390.70148	1.3
413.17871	1.1
439.19513	2.3
453.21115	1.7
462.56967	0.9
465.21100	13.2
481.20679	2.2
495.22467	1.4
519.30341	1.2
525.23328	5.2
533.27209	1.1
535.28973	5.9
551.28406	16.2
594.30011	1.7
595.35962	1.4
607.31238	2.1
609.32562	1.6
613.37268	1.5
651.34186	1.2
677.38165	1.1
695.39862	3.9
705.34772	2.2
707.39471	1.3
723.36285	1.3
733.41504	1.9
745.41663	1.9
763.42029	4.2
775.42438	95.0
776.43298	2.9
837.95361	1.1
843.48615	12.5
861.49261	100.0
862.49628	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	861.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98999	0.5
61.02922	4.2
67.05508	5.1
69.03435	2.6
69.07084	1.6
69.27506	0.9
69.27908	3.2
71.04994	1.4
73.02911	3.2
79.05491	3.9
81.03429	1.2
81.07059	4.8
83.08628	1.2
85.02910	4.5
91.03954	3.4
91.05473	2.3
93.07040	3.6
95.05006	0.6
95.08604	3.5
96.91621	0.5
97.02905	5.1
97.06525	0.9
97.10137	1.0
99.04433	1.2
100.87079	0.4
101.02401	1.5
105.07048	1.4
107.08599	2.3
109.02931	0.8
109.10175	1.6
111.08039	0.5
117.07008	0.5
119.08612	1.1
121.10191	1.7
123.11626	0.5
127.03941	1.4
131.08618	1.0
133.10135	1.0
135.11693	0.9
145.10204	0.7
149.13335	0.9
159.11783	0.5
185.04315	1.0
243.08423	2.2
259.04697	0.5
283.19275	0.5
306.56253	0.5
335.25565	0.5
365.23102	3.1
433.38492	0.5
518.74615	0.4
519.29248	5.8
583.30847	4.1
691.40924	0.6
747.42145	0.5
861.53229	100.0
862.53552	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	866.547
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	0.7
61.02930	6.1
65.03909	1.0
67.05505	23.9
69.03402	1.3
69.06738	0.8
69.07068	11.6
71.04962	1.9
71.08633	13.5
73.02888	2.1
79.05492	12.3
80.65942	0.7
81.03395	1.1
81.07059	33.4
83.04945	2.5
83.08624	10.6
85.02438	0.5
85.02913	7.6
85.06032	0.6
85.06530	2.6
85.10184	7.2
91.03968	3.9
91.05473	6.5
93.07045	21.8
95.04943	1.7
95.08607	16.5
97.02899	3.2
97.06540	4.5
97.10155	3.0
99.08044	1.7
99.11688	0.6
105.06993	2.2
107.08587	11.8
109.06520	1.1
109.10146	5.9
111.08072	3.2
111.11719	0.9
113.06000	0.5
113.09611	0.6
117.07017	3.0
117.99012	0.6
119.08546	1.3
121.10137	8.4
123.11726	2.7
125.09612	0.9
127.03911	1.5
131.08623	3.2
133.10144	2.6
135.07988	0.9
135.11697	2.7
137.13226	0.6
139.11139	0.7
145.04919	1.7
147.11696	0.8
149.13260	16.5
159.11694	7.1
163.06030	2.3
177.12749	3.1
195.13815	5.5
239.23679	1.5
257.24637	0.6
269.17477	86.0
270.17917	0.9
313.27368	43.8
507.40457	100.0
508.40735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.1
67.01872	0.7
67.05510	1.1
68.99790	8.5
69.03420	0.6
69.61839	3.6
71.05014	0.6
77.03946	1.0
79.05501	1.5
81.03427	4.2
83.04980	1.0
85.02918	1.6
89.03922	1.8
91.05437	0.8
93.03403	2.5
95.04957	1.7
97.02885	0.8
98.21436	1.1
98.97589	2.1
99.04452	1.1
103.05483	1.1
105.03395	1.3
107.01282	0.7
107.04938	4.9
109.02882	3.4
111.00809	6.2
111.04455	7.5
115.05454	1.2
116.98653	0.6
117.03357	1.6
119.04955	1.6
121.02874	1.8
123.04430	54.3
123.93645	0.6
125.09631	0.8
127.03919	100.0
131.04898	3.4
132.17416	0.5
133.06488	0.6
135.04416	52.0
137.02313	3.5
137.05968	1.5
139.03905	49.2
141.06998	0.8
143.04922	0.6
145.02872	0.9
146.27066	0.5
147.04398	6.6
149.02332	6.3
149.05922	2.6
149.09584	0.9
151.03911	13.0
153.01836	1.0
153.05457	1.1
153.06947	0.7
155.04892	1.7
157.06505	0.8
158.99687	0.7
159.04398	5.1
161.02400	0.6
161.06018	3.6
163.03911	53.5
165.01758	0.6
165.05472	5.6
167.03398	6.3
169.04996	1.7
169.06525	2.6
171.04440	0.7
173.06001	5.5
175.03870	3.2
175.07562	0.8
177.05470	6.4
179.03412	7.7
179.07024	0.5
181.05119	1.0
181.06531	1.3
183.04443	2.1
185.05974	1.9
187.03886	8.8
187.05301	0.7
187.07480	0.7
189.00615	0.7
189.05455	2.6
191.03401	9.0
192.85658	0.5
193.04982	2.0
197.06036	3.3
199.03983	0.7
201.05515	7.7
203.03395	11.9
203.07048	1.3
205.04910	3.1
207.02939	0.7
207.06587	1.7
209.15425	1.0
211.03963	0.6
213.05513	2.4
215.03407	2.7
215.06987	4.2
217.04974	2.2
219.06578	1.0
223.02356	1.4
225.05466	2.0
229.04968	10.4
229.07097	0.6
231.06531	2.8
233.04420	4.8
237.05438	1.3
239.03645	0.6
239.06807	0.6
241.04973	2.8
243.06581	6.4
245.04456	48.1
247.06021	45.3
248.06465	0.7
249.11632	0.8
251.05424	1.3
253.04976	1.9
255.03079	0.6
255.06505	3.1
257.04453	14.7
258.05331	0.9
259.06012	9.6
261.07596	1.8
263.05536	1.1
265.05005	1.3
265.11136	1.7
267.06558	0.7
267.12738	1.6
269.04480	3.2
271.06018	23.0
273.07449	1.3
274.04706	2.0
274.97443	1.2
275.05493	16.3
279.06613	1.1
281.04446	2.1
281.99106	0.6
282.05264	0.7
283.06012	11.0
283.12192	2.1
285.04175	0.9
285.07629	1.3
285.13864	1.1
286.04779	0.7
287.05493	20.3
289.07062	30.9
291.08643	22.9
295.06049	2.5
297.04056	2.2
299.05539	4.1
301.07080	11.8
303.05090	1.0
303.08716	1.7
307.06210	0.8
307.12198	1.1
309.03940	1.6
311.05615	1.8
313.07117	2.3
317.08224	0.7
321.07346	0.7
323.05545	2.0
329.06671	0.9
331.08148	1.7
334.99902	0.6
347.08853	0.7
351.05029	1.9
361.07263	1.4
363.08585	0.8
365.05862	0.9
365.09552	2.2
377.06458	1.1
379.07971	2.9
383.07541	2.7
389.06586	1.6
391.08087	2.1
393.05981	3.9
395.07504	1.2
397.09207	6.5
403.08316	0.8
405.05859	3.7
407.07629	16.4
409.09164	28.9
411.10678	4.9
417.05783	0.7
419.07532	3.1
421.09085	3.6
423.10696	0.7
425.08594	7.8
427.10358	18.7
427.16254	2.2
431.07718	1.0
433.09271	2.5
435.10965	1.9
437.08704	7.7
439.10190	2.1
449.03040	1.1
449.08423	3.7
451.10269	4.0
453.11963	1.5
469.11343	0.7
477.68365	0.6
478.21381	0.7
517.11847	3.1
525.13080	1.6
527.09882	2.6
529.10455	0.8
531.12659	0.7
535.12384	2.1
541.11383	0.9
545.10748	6.0
553.11169	0.7
557.10364	0.7
559.12415	2.7
571.12415	2.1
577.13202	2.2
579.15015	8.9
589.13367	1.5
657.16962	1.5
679.14417	2.3
697.15564	5.2
699.17249	1.1
715.16876	1.4
867.33441	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	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18590	0.7
65.03937	3.6
67.01859	0.9
68.99785	10.9
69.00124	1.0
71.07537	1.6
79.05480	1.0
81.03417	2.7
83.04996	1.8
85.02914	3.0
89.03931	2.9
93.03391	3.3
95.04984	2.7
98.97563	0.8
99.04459	1.3
105.03428	2.0
105.06996	0.8
107.04968	7.0
109.02872	4.2
111.00803	7.0
111.04448	12.3
115.05468	1.1
117.03390	1.7
117.07028	0.9
119.04953	2.5
119.40357	0.8
121.02868	2.1
123.03740	1.2
123.04433	77.5
127.03922	100.0
129.07033	1.2
131.04950	4.0
135.04422	69.6
137.02351	5.1
137.05969	1.9
139.03905	68.7
140.04288	0.8
141.07008	1.2
143.04915	1.0
145.02826	1.0
145.06503	1.2
147.04416	8.4
149.02374	7.6
149.05989	2.6
151.03911	21.3
153.01836	1.8
155.04909	1.4
157.06522	1.2
159.04396	3.9
161.02272	1.0
161.05994	6.4
163.03911	68.9
164.04213	0.7
165.05527	5.1
167.03448	6.6
169.04964	3.8
169.06454	1.6
173.02361	1.0
173.05975	6.7
175.03860	3.8
177.05469	6.3
179.03394	12.4
179.07120	1.4
181.05017	0.9
181.06461	1.2
183.04420	2.7
185.06027	2.4
187.03909	9.2
187.07478	1.2
189.01910	0.9
189.05525	3.5
191.03403	11.4
193.04979	2.1
197.06013	5.4
199.03915	1.0
199.07654	1.2
201.05479	10.5
203.03404	15.2
203.07066	3.1
205.04991	3.5
207.06450	1.3
213.05539	2.9
215.03464	3.4
215.07077	3.3
216.04184	1.0
217.05000	2.8
219.06650	1.7
223.02365	3.2
225.05511	2.9
229.04977	11.7
231.02890	1.2
231.06534	3.1
232.29599	0.8
233.04466	5.4
237.05453	1.7
239.07108	0.9
241.04916	4.8
243.02946	0.9
243.06511	5.6
245.04469	56.6
247.06032	54.6
251.05466	1.5
253.05028	3.5
255.06563	3.2
257.04446	18.7
257.07037	1.1
259.06021	15.7
261.07635	3.5
263.05527	1.3
265.04944	1.9
267.06543	1.7
269.04489	7.0
271.06021	31.3
273.04123	1.1
273.07574	3.0
274.04721	2.1
275.05478	18.2
277.04819	1.0
281.04440	2.3
283.06018	11.7
285.03952	1.9
285.07440	1.1
287.05511	21.1
289.07077	42.8
291.08661	24.3
295.06061	2.9
297.03952	2.6
299.05493	8.2
301.07086	15.7
303.08609	2.9
307.06091	2.1
309.03894	3.3
311.05582	3.6
313.07129	3.2
315.05194	1.1
321.07440	1.4
323.05515	3.4
325.07275	1.2
327.04929	0.8
331.08228	2.4
341.06482	1.6
347.05435	0.9
349.07159	0.9
351.05011	3.3
361.07166	2.8
363.04828	1.0
363.08817	1.2
365.06598	2.1
367.07773	0.9
377.06561	1.4
379.08002	4.0
381.09711	0.9
383.07703	2.8
389.06415	2.6
391.08224	2.3
393.05954	4.8
395.07648	1.9
397.09280	5.1
403.08575	0.9
405.05667	3.6
407.07639	18.4
409.09201	30.4
411.10797	4.7
417.06152	1.2
419.07687	5.1
421.09103	3.7
425.08777	11.2
427.10266	20.1
431.07803	1.0
433.09137	4.2
435.11041	0.9
437.08652	8.5
439.09958	3.8
449.08774	3.2
451.10315	8.9
453.11868	2.1
469.11426	1.4
517.11401	3.5
527.09711	2.7
535.12408	1.3
541.11401	1.7
545.10834	7.8
559.12195	2.4
561.13062	0.9
571.12201	4.1
577.13336	4.1
579.14899	8.1
589.13330	2.2
677.46936	1.0
679.13916	2.6
697.15668	6.0
715.15887	1.2
795.23889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50478	1.4
61.02917	3.7
65.03943	4.6
67.05508	56.0
69.03143	1.4
69.03442	18.5
69.07069	14.6
69.28846	12.2
71.01334	2.1
71.05005	7.5
71.09148	1.4
73.02938	2.8
77.70243	1.7
79.05499	47.3
81.03425	72.1
81.07063	53.7
83.04984	18.7
83.08616	21.4
85.02912	20.1
91.03963	2.3
91.05490	37.8
93.07052	49.3
93.19336	1.3
95.04972	25.6
95.08060	2.5
95.08617	36.6
97.02899	19.8
97.06519	6.5
97.10165	5.9
99.04465	4.0
99.08097	2.2
105.07034	29.2
107.04964	7.8
107.08604	25.9
109.02890	7.8
109.06506	4.7
109.10145	16.0
111.04465	8.6
111.08135	7.6
113.05973	1.8
115.05437	1.5
117.07012	9.9
119.04982	1.7
119.08580	24.5
121.06512	2.7
121.10149	19.7
123.04401	2.6
123.08059	4.1
123.11730	6.5
125.09639	4.2
127.03947	12.1
129.05452	4.6
129.07028	11.1
131.08554	17.9
133.06517	2.7
133.10126	12.8
135.11679	9.9
139.03870	1.4
141.04533	1.4
142.07755	1.7
143.08566	4.3
145.10159	8.2
147.08037	4.1
147.11708	18.0
149.09598	4.7
149.13277	4.1
153.12772	1.6
155.08607	3.9
157.10133	13.4
159.11691	6.1
161.13297	3.6
161.62691	1.3
163.11156	3.0
163.14795	2.6
165.12816	4.8
169.10196	1.8
171.11761	2.0
173.04448	4.6
173.09659	2.3
173.13280	5.2
175.11191	11.6
181.12314	2.4
183.11737	2.5
189.12805	1.9
191.10669	2.2
193.12253	31.5
206.31851	1.6
211.13292	36.4
227.12677	2.8
228.97272	1.4
229.14325	3.3
243.21024	2.8
249.15076	1.8
259.20575	2.1
259.50381	1.5
261.22076	7.4
267.15936	16.0
283.15497	1.7
285.17014	19.1
335.25836	61.9
337.16336	1.7
341.24597	1.6
351.23044	2.8
355.17435	2.0
369.24191	2.9
393.19464	2.2
411.19928	5.0
429.21231	15.4
435.32397	1.8
475.84058	1.7
479.30359	1.9
527.37274	15.7
545.38416	100.0
546.38501	2.0
569.37469	2.7
653.40076	4.1
671.41162	6.4
689.42535	28.8
743.72076	1.7
869.43909	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	17.5
63.28088	0.5
65.03934	3.3
65.54778	0.5
66.04722	0.8
67.05503	52.0
69.03426	11.6
69.06715	1.1
69.07067	14.3
70.04217	1.0
71.01355	1.9
71.04984	6.9
73.02544	1.0
73.02920	10.2
73.06551	1.0
74.04082	0.5
79.05492	50.3
80.05847	0.5
80.06256	1.2
81.03417	100.0
81.07055	50.3
82.04199	4.6
83.01358	1.2
83.04981	29.5
83.08617	39.8
84.02126	1.2
85.02906	42.7
85.06536	3.8
87.04464	1.5
91.03963	11.0
91.05481	51.5
93.07044	31.8
94.04218	0.8
94.07847	0.9
95.04969	45.9
95.08602	16.0
96.05733	1.2
97.02888	16.8
97.06526	10.4
97.10170	21.3
98.07307	7.9
99.04446	3.4
99.08105	2.6
101.06026	1.4
101.09628	0.6
103.05464	1.3
104.06254	0.7
105.04509	1.5
105.07027	31.1
106.07820	0.9
107.04958	14.4
107.07862	1.0
107.08591	20.1
109.02881	1.4
109.06525	9.4
109.10156	14.9
109.10911	0.9
110.07279	0.7
111.04440	6.8
111.08082	17.9
113.06018	2.9
115.03907	1.2
115.05466	2.5
116.04715	13.3
117.05499	1.6
117.07010	5.2
119.04964	1.2
119.08579	28.5
121.06499	5.6
121.10143	14.6
123.04417	1.5
123.08067	9.1
123.11687	2.5
125.06017	1.1
125.09631	19.0
126.10365	0.9
127.03909	3.8
127.07593	0.9
127.11211	1.9
128.06238	1.2
129.05484	34.2
129.06973	16.0
130.07776	1.1
131.04919	0.8
131.08571	19.7
133.06512	4.9
133.10136	20.2
135.04486	0.7
135.08066	4.5
135.11693	5.7
136.08838	1.2
137.05974	1.3
137.09630	4.9
137.13234	1.0
139.07491	0.8
142.07770	4.2
143.07040	7.6
143.08183	0.8
143.08557	0.9
143.10677	1.6
145.04970	3.3
145.06471	0.9
145.10124	6.6
147.08049	5.9
147.11688	22.6
149.09613	10.5
151.11159	0.9
153.09081	1.8
153.12741	3.1
155.08592	1.2
155.10637	1.2
157.08617	14.3
157.10130	21.2
158.05743	2.1
161.09598	0.9
163.06059	4.0
163.11185	8.4
164.11923	0.9
165.12749	4.2
167.07057	1.0
169.10106	0.6
171.06525	3.8
171.07797	0.7
171.10172	5.1
173.09599	1.9
173.11778	3.5
175.11182	22.5
181.12196	4.3
183.11710	0.9
185.08136	2.0
185.11794	1.3
189.11221	8.3
189.12772	0.8
191.10655	4.1
192.35475	0.5
193.12241	77.2
193.50659	0.6
194.12634	0.7
199.09659	1.6
199.13295	17.4
200.14050	2.3
201.12773	0.9
201.14781	0.8
209.11716	9.5
210.12521	1.9
211.13286	92.3
211.64424	0.7
212.13698	0.9
213.11304	0.6
213.14795	0.7
217.14314	0.9
219.13789	0.8
224.94894	0.5
227.12764	17.3
229.07350	0.6
229.12320	0.9
229.14348	4.2
247.13281	5.5
249.14934	1.5
255.15962	3.5
265.14258	1.7
267.15900	29.3
268.16467	0.8
269.17526	1.3
277.14264	0.6
283.15393	15.3
283.18591	0.7
284.16083	1.0
285.16959	65.1
286.17432	0.9
301.16452	57.1
302.16800	1.0
311.18668	0.7
311.22256	1.3
321.17029	1.9
325.23703	0.7
335.22177	0.7
339.18140	3.3
347.64871	0.6
367.20959	0.9
383.22192	0.9
385.23636	1.1
391.24966	0.7
409.25882	7.9
421.25681	2.8
427.27017	8.4
439.26895	29.1
459.27579	5.1
475.26993	5.5
476.27606	3.8
477.28394	4.1
493.27975	19.9
494.28693	5.3
495.28824	0.7
511.29031	64.2
512.29181	1.5
603.70398	0.6
637.32422	0.7
655.32672	1.3
683.17896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.6
65.03932	6.3
67.05511	100.0
69.03438	12.4
69.07075	64.9
69.07465	2.2
70.06567	1.2
70.24346	2.9
70.24707	2.7
71.01369	1.7
71.05000	8.8
73.02909	2.2
77.03972	1.4
78.77282	1.2
79.05499	73.0
81.03425	18.7
81.07064	89.7
83.04980	13.9
83.08627	18.6
85.02908	8.4
85.06564	4.8
86.09711	1.6
91.03964	3.1
91.04618	1.5
91.04903	1.6
91.05488	70.9
93.07051	71.6
95.04982	14.8
95.08612	53.7
95.09234	1.3
97.02910	8.3
97.06541	24.0
97.10176	12.8
99.04459	2.5
99.08117	5.5
103.05470	2.8
105.04524	3.7
105.07038	55.0
107.04969	14.2
107.08607	39.2
109.02893	2.0
109.06545	9.5
109.10164	33.6
111.04456	1.4
111.08112	6.9
113.09643	3.1
115.05463	3.5
117.07031	21.7
119.04960	2.4
119.08593	40.4
121.06516	8.5
121.10152	20.8
123.08073	8.2
123.11719	5.3
125.09649	10.3
127.03937	3.4
128.06189	2.6
129.05472	4.1
129.07024	10.2
129.77219	1.3
131.08578	31.5
133.06470	2.7
133.10141	34.3
135.08054	8.6
135.11710	18.2
137.09653	15.9
139.11197	2.0
141.06976	4.6
143.08533	7.4
144.09314	1.9
145.06458	1.8
145.10146	23.0
147.08040	2.9
147.11711	20.5
149.09637	28.4
149.13277	11.4
151.11215	3.7
153.09177	1.8
155.08537	5.0
155.10637	2.6
157.10158	8.9
157.11253	1.7
157.25687	1.4
159.08049	2.7
159.11722	17.0
161.06131	1.2
161.09605	3.5
161.13263	8.2
163.11172	12.9
165.09169	2.0
165.12813	1.5
167.10701	2.1
169.10129	5.1
171.10245	3.0
171.11717	7.0
173.09677	2.8
173.11752	6.7
173.13278	6.4
175.11160	3.4
177.12778	6.0
179.14355	7.2
183.11771	4.8
184.07344	1.6
185.13274	7.0
187.11156	4.0
187.14749	1.7
189.09557	1.2
189.11281	6.2
189.12749	2.0
191.14291	1.6
193.12361	1.6
195.11772	2.4
195.13770	3.8
197.13289	4.9
199.13240	1.8
199.14854	2.1
201.12770	2.3
205.12187	1.9
209.13313	2.1
211.14917	2.0
211.76611	1.3
213.16383	2.0
215.14249	1.7
223.13290	2.1
227.12827	9.1
227.17859	1.5
229.14308	11.0
229.19467	4.4
239.17972	2.9
243.15994	1.8
247.20610	3.4
253.14381	2.4
253.17958	1.8
255.15747	6.6
257.19025	10.9
259.20630	4.7
267.15912	3.8
269.17514	14.9
273.18500	3.9
275.20081	41.4
276.20413	2.4
291.19629	8.9
293.21039	3.8
299.20370	1.5
318.69977	1.4
321.24231	1.8
333.24426	1.7
349.23773	42.0
365.23245	4.8
367.25259	1.9
383.24326	2.4
409.25839	2.9
423.27380	7.2
431.27856	2.4
433.29428	1.8
447.31195	2.2
469.33121	1.8
487.34332	2.3
503.33609	3.6
505.34995	2.7
527.37299	5.9
529.35242	9.0
543.36877	16.4
544.36847	1.8
545.37720	2.8
546.38782	1.5
548.39539	1.4
559.35791	1.6
623.43231	8.7
641.44043	3.3
653.01074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.1
63.02376	0.1
65.03932	0.5
67.05515	0.1
68.99809	0.1
69.03436	7.7
69.07071	0.2
70.40331	0.2
71.01357	0.7
71.05000	8.4
73.02924	8.0
75.04475	0.5
79.05490	0.1
81.03413	0.6
81.07066	0.2
83.01328	0.1
83.04991	1.2
83.08610	0.1
85.02911	12.3
87.04485	0.7
91.05486	4.7
93.07056	0.2
95.04977	0.2
95.08604	0.2
97.02904	2.8
97.03407	0.0
97.06544	0.1
97.14864	0.1
99.04473	0.5
99.54953	0.1
103.03297	0.1
103.03953	2.1
105.03401	0.1
105.07050	0.2
107.04961	0.4
107.08597	0.1
109.02881	0.5
109.10217	0.1
111.00807	0.2
111.04436	0.9
113.02338	0.2
113.06011	0.3
115.03941	3.1
115.04758	0.1
117.05531	0.1
119.04954	13.1
121.02883	0.7
121.06538	0.1
121.10158	0.1
122.17025	0.1
127.03925	2.4
129.05493	3.6
131.04924	0.1
133.02881	0.1
133.04985	1.0
133.06516	0.2
133.10158	0.2
136.12022	0.1
137.02357	0.2
137.05949	0.1
139.03918	0.3
141.06999	0.1
145.04990	0.2
145.06596	0.1
147.04420	100.0
148.04744	0.7
149.04465	2.4
153.01833	0.9
157.05115	0.1
157.06516	0.3
157.10184	0.1
159.04454	0.1
159.07974	0.1
161.06010	0.1
165.01848	0.4
165.05492	2.9
167.10611	0.1
169.04991	0.4
169.06355	0.1
171.06557	0.1
173.06012	0.1
175.04028	0.1
175.06033	0.3
177.05515	0.1
183.02924	0.2
185.06017	0.3
187.07565	0.3
189.05531	0.1
201.05441	0.5
203.07079	0.3
213.05533	0.5
215.07005	0.1
225.07564	0.5
227.85666	0.1
231.06563	0.8
241.04926	0.2
243.06573	0.1
243.08612	0.4
258.05276	0.3
259.05978	0.1
261.07590	0.8
261.09897	0.1
267.15897	0.3
273.07571	0.3
275.09171	0.4
279.08621	1.4
279.11334	0.1
287.05518	33.0
288.05801	0.3
291.08649	5.5
292.08841	0.1
293.10178	0.7
309.09705	17.0
310.10010	0.3
323.25760	0.2
329.06458	0.1
425.14789	0.1
441.13770	0.2
455.15527	0.3
459.27234	0.1
477.28540	0.1
572.30902	0.1
595.13995	0.2
873.31775	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	873.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.5
65.03937	0.7
67.05513	0.6
68.99793	0.2
69.03433	4.7
69.07067	0.3
69.44360	0.9
71.01353	0.4
71.04998	7.9
71.87470	0.1
73.02922	3.1
75.04475	0.5
79.05483	0.6
81.03423	2.0
81.07053	0.7
82.03740	0.2
83.04984	1.4
83.08617	0.4
85.02911	11.6
86.65356	0.1
87.04470	0.4
91.05483	5.7
93.07040	0.5
95.04978	0.9
95.08601	0.3
97.02902	2.6
97.06496	0.2
99.04454	0.4
103.03967	0.2
105.03447	0.1
105.07047	0.7
107.04975	0.6
107.08602	0.2
109.02876	0.4
109.10141	0.3
111.00817	0.2
111.04449	1.1
111.08104	0.2
115.03947	1.5
115.05402	0.2
117.07018	0.1
119.04948	15.5
119.08552	0.4
121.02872	1.2
121.06531	0.2
121.10139	0.3
122.77441	0.1
123.04395	0.2
123.08052	0.1
123.11736	0.2
127.03920	2.3
129.05496	3.1
129.07002	0.3
131.04892	0.2
131.08588	0.4
133.02867	0.2
133.04994	0.4
133.06494	0.2
133.10123	0.3
135.04431	0.1
135.08089	0.1
137.02414	0.2
137.05975	0.4
139.03897	0.4
143.03363	0.2
145.04941	0.2
145.06494	0.3
145.10118	0.3
147.04417	100.0
148.04750	0.7
149.04526	0.1
153.01816	1.1
157.05203	0.1
157.06502	0.2
157.10216	0.2
161.09648	0.2
163.03870	0.1
165.01862	0.6
165.05492	3.9
167.07089	0.1
169.06522	0.2
171.06636	0.2
173.06081	0.2
175.11217	0.2
181.05017	0.1
183.02914	0.2
185.05925	0.2
187.07538	0.2
189.05656	0.2
193.12321	0.6
194.12683	0.2
201.05493	0.9
203.07071	0.1
211.13387	0.3
213.05472	0.4
225.07541	0.6
229.32071	0.1
231.06456	0.4
239.64931	0.1
241.04938	0.3
243.08615	0.3
257.08066	0.1
258.05258	0.4
261.07532	2.1
264.18964	0.1
267.15933	1.8
268.16315	0.6
273.14975	0.2
275.09088	0.4
279.08582	1.9
285.16873	0.3
287.05508	44.5
288.05835	0.6
291.08649	2.7
293.10220	0.7
309.09702	8.5
323.25851	0.2
433.25745	0.2
434.26096	0.2
441.13812	0.1
441.26181	0.1
459.27588	1.0
459.45248	0.1
460.27997	0.6
477.28613	0.7
478.28638	0.5
503.22806	0.1
595.14307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89405	0.1
61.02934	1.1
65.03947	0.6
67.05532	0.2
69.03439	7.3
70.41027	0.4
71.01363	0.6
71.05000	8.3
73.02925	7.9
75.04481	0.4
79.05525	0.2
81.03422	0.5
81.07063	0.2
83.04994	1.3
85.02916	12.4
87.04485	0.4
91.05492	4.7
93.07079	0.2
95.04979	0.4
97.02902	2.9
99.04463	0.6
103.03954	1.9
107.04963	0.4
109.02891	0.5
109.10192	0.1
111.04481	0.9
113.06042	0.2
115.03944	2.8
117.05495	0.2
119.04960	13.3
121.02883	0.7
121.10114	0.2
123.04462	0.2
127.03931	2.3
127.04820	0.2
129.05502	3.9
133.02840	0.2
133.04993	1.0
133.06505	0.2
135.04407	0.1
139.03931	0.2
145.04968	0.2
145.06534	0.2
147.04427	100.0
148.04771	0.7
149.04478	2.3
153.01871	0.8
157.06516	0.2
159.08122	0.1
161.05998	0.1
165.01846	0.4
165.05498	3.0
169.05042	0.6
169.06348	0.2
171.06604	0.2
173.06055	0.1
173.20636	0.1
175.06076	0.4
183.02977	0.1
185.05997	0.3
187.07547	0.2
189.05519	0.1
201.05565	0.6
203.07082	0.2
213.05501	0.4
215.06979	0.1
225.07622	0.8
231.06554	0.6
241.05008	0.3
243.06511	0.1
243.08725	0.4
258.05267	0.3
261.07556	1.0
261.09891	0.2
267.15979	0.2
273.07526	0.3
275.09171	0.3
279.08630	1.4
279.11276	0.2
287.05530	31.2
288.05890	0.3
291.08655	5.1
293.10294	0.7
309.09717	18.2
310.10062	0.3
311.05496	0.2
323.25739	0.2
329.06775	0.2
419.45929	0.1
441.13925	0.1
455.15662	0.4
477.28528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	1.8
65.03933	0.8
67.05506	0.7
68.99777	0.3
69.03434	12.8
69.07087	0.2
69.70923	0.3
69.71202	1.0
71.01366	1.2
71.05003	3.8
73.02924	13.5
75.04452	0.5
79.05492	0.5
81.03409	1.1
81.07060	0.5
83.04991	1.3
83.08641	0.3
85.02912	9.2
87.04472	0.7
91.05486	5.9
93.07043	0.4
95.04970	0.6
95.08602	0.4
97.02905	5.1
97.06509	0.4
97.10187	0.2
97.48392	0.2
98.21423	0.2
99.04433	0.4
103.03302	0.3
103.03952	4.7
105.03438	0.2
105.07034	0.7
107.04959	0.6
107.08611	0.2
109.02880	0.5
109.10178	0.3
110.32013	0.2
111.00710	0.2
111.04462	1.0
113.02369	0.3
113.06012	0.8
115.03941	6.2
119.04953	16.2
119.08621	0.3
121.02892	0.8
121.06555	0.2
121.10146	0.3
123.04443	0.4
127.03928	2.6
129.05492	2.4
129.06998	0.2
133.04977	1.8
133.06512	0.4
133.10139	0.7
137.02322	0.2
137.05963	0.5
139.03871	0.2
145.02901	0.2
145.06534	0.3
145.10124	0.2
147.04420	100.0
148.04796	0.4
149.04469	7.1
149.05771	0.4
151.03958	0.4
153.01825	1.3
157.06470	0.2
157.10188	0.3
161.09618	0.5
165.01822	0.9
165.05489	2.3
167.07118	0.3
169.05002	1.4
169.06287	0.3
170.09271	0.2
175.06033	0.9
175.07483	0.2
177.05486	0.5
181.04915	0.2
183.02951	0.5
185.05956	0.2
193.12306	0.3
211.13388	0.2
213.05415	0.4
214.22775	0.2
219.10207	0.2
225.07637	0.5
231.06468	0.5
243.08653	0.2
258.05246	0.2
259.06046	0.2
261.07614	0.3
267.16025	0.5
275.09128	0.7
279.08527	0.3
285.16910	0.4
286.17429	0.2
287.05521	47.9
288.05859	0.5
291.08643	5.1
293.10190	0.7
309.09717	11.1
329.06668	0.3
365.23288	0.2
459.27264	0.3
460.27573	0.2
477.28473	0.4
478.28989	0.3
479.31134	0.2
496.29529	0.2
595.13947	0.3
595.69440	0.2
873.35797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.0
67.05518	1.8
69.03433	2.7
69.07085	0.9
71.01367	0.6
71.05016	0.5
71.08630	1.3
71.53797	0.3
73.02921	3.9
73.03299	0.2
77.26402	0.2
79.05515	0.7
81.03421	1.4
81.07050	2.0
83.04985	0.3
83.08646	0.7
85.02913	5.0
85.10200	0.5
87.04462	0.4
89.94257	0.2
91.03957	3.2
91.04452	0.3
91.05469	1.1
93.06541	0.2
93.07034	1.0
95.04988	0.5
95.08614	1.4
99.04497	0.8
101.02384	1.8
103.03959	0.3
105.07051	1.2
106.07458	0.2
107.08624	1.0
109.02882	0.7
109.06567	0.4
109.10165	2.5
115.03975	0.4
117.07018	0.3
119.08615	0.5
123.11732	0.4
127.03934	1.5
133.10127	2.6
145.04984	0.6
145.10254	0.3
151.11229	1.5
168.30583	0.2
169.12288	0.4
185.04266	1.2
203.05299	1.2
237.11015	1.4
239.23645	0.5
243.08502	1.5
253.14476	0.6
290.17633	0.2
293.13504	0.5
313.27463	0.9
347.09473	3.6
363.09106	0.4
365.10486	1.4
405.13690	3.2
416.93958	0.2
455.18912	13.8
494.28146	0.2
497.30902	4.8
549.37305	0.5
617.24176	8.0
659.36255	4.7
711.42999	3.1
859.56396	0.3
873.48212	100.0
874.48187	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	875.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.1
67.05508	1.4
69.03424	3.1
69.07050	0.9
71.04994	0.8
73.02917	3.0
79.05495	1.6
81.03427	2.9
81.07072	1.4
83.04980	0.9
83.08622	1.0
85.02915	6.6
85.03389	0.7
86.49596	0.4
87.04498	0.5
91.03962	3.5
91.05493	1.6
93.07070	1.4
95.01097	0.5
95.04972	1.1
95.08617	1.0
97.02909	5.5
98.20731	1.0
99.04470	1.4
101.02399	1.7
105.07047	1.9
107.08620	1.0
109.02876	1.3
109.10158	0.6
110.03281	0.4
111.04465	0.6
111.08080	0.6
115.03949	0.6
119.08621	1.4
121.10178	1.1
125.02151	0.7
127.03922	1.9
129.05495	1.4
129.07045	0.6
131.08640	1.0
133.10150	0.9
135.11681	0.6
137.06006	0.9
139.03874	0.8
141.05215	0.6
145.04977	0.8
147.04437	0.5
147.08051	0.6
147.11710	0.9
157.04761	0.9
157.10165	0.8
163.11191	0.4
167.07114	0.6
169.04788	0.4
175.11208	0.6
185.04263	3.2
193.12302	1.4
199.13263	0.5
201.03703	3.0
203.05305	2.0
211.13380	0.9
214.20161	0.5
227.05370	0.7
243.08492	1.4
251.12624	1.7
257.06384	1.0
259.07983	0.8
267.09021	0.6
275.07516	0.9
285.17264	0.4
291.15649	0.7
301.08990	4.3
307.15274	0.5
315.10611	0.8
319.10028	1.7
329.08499	1.2
341.12048	0.9
347.09479	9.7
349.16476	1.2
359.09680	0.5
363.08984	6.2
365.10687	1.3
367.17465	1.4
383.16901	1.5
385.18484	1.7
395.16965	0.9
405.13654	5.3
421.13364	0.4
433.25824	0.9
443.19040	0.6
445.20938	0.4
463.14297	9.3
467.18826	0.8
469.20538	4.6
477.15787	2.6
489.16064	0.8
497.19794	0.7
499.21564	0.9
503.16629	0.8
505.19260	0.5
511.21793	0.7
519.20313	0.7
527.20874	2.6
529.22931	1.5
533.22717	0.5
535.16309	2.1
541.22992	1.1
545.22192	3.3
547.23718	5.3
549.17950	0.9
557.22290	1.6
569.25977	0.5
575.23334	0.5
585.25568	0.6
591.22449	0.7
601.24866	1.0
603.26434	0.7
605.24146	4.1
611.30493	1.2
619.26007	0.6
631.25714	11.1
632.25751	0.6
641.31940	1.3
645.27771	1.1
647.25128	0.9
661.27521	1.5
673.26947	0.9
689.33832	1.1
690.26990	3.0
703.27875	5.2
717.29480	1.3
731.31189	1.8
745.34705	1.6
773.35663	4.2
774.36432	1.9
813.39099	0.6
829.38892	1.0
857.37756	1.6
858.37866	1.0
875.38818	100.0
876.39069	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	878.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.4
64.91185	0.5
65.03934	1.2
65.36447	0.4
65.60973	0.4
67.05511	19.1
69.03423	0.6
69.07076	6.8
71.04997	1.0
71.06360	0.7
71.06711	0.9
71.08640	10.6
72.08150	0.9
73.02896	1.1
73.06561	0.6
73.32539	0.4
79.05498	26.5
80.05848	0.5
81.03425	2.9
81.07061	20.5
83.04984	5.3
83.08626	6.7
85.02908	3.6
85.06558	1.1
85.09727	0.5
85.10193	7.3
87.08172	0.4
89.06043	0.8
91.03947	2.3
91.04904	0.8
91.05485	19.7
93.07052	27.5
95.04978	6.7
95.08613	17.3
97.02894	2.3
97.06538	1.5
97.10173	3.5
99.08102	0.6
103.23739	0.4
104.51271	0.4
105.04555	0.9
105.07038	14.9
107.04954	2.5
107.08599	6.4
109.06508	1.9
109.10158	4.9
111.11746	0.5
117.07007	2.8
119.08589	8.7
121.06538	1.1
121.10151	1.3
123.08039	2.1
123.11716	1.8
123.14958	0.4
128.06213	1.2
129.07010	6.7
130.07761	0.5
131.08574	1.2
133.10132	4.1
135.11729	1.1
137.13289	0.9
143.08586	3.8
145.10159	3.9
147.08070	1.0
147.11697	14.8
161.09644	1.6
161.13252	5.3
163.06009	0.8
171.11690	10.8
179.14273	0.7
189.12779	3.5
207.13818	12.8
239.23779	0.8
257.24939	0.9
281.17490	47.0
313.27380	39.5
456.55319	0.4
519.40491	100.0
520.40887	1.8
537.41296	0.7
581.94580	0.4
698.22412	0.5
706.72003	0.5
758.27234	0.5
790.97485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.0
61.79152	0.3
65.03953	0.5
67.05507	13.1
69.03416	1.4
69.07070	7.9
69.27669	3.1
71.04983	1.6
71.08634	19.2
73.02921	2.1
79.05074	0.8
79.05496	12.1
81.03423	2.3
81.07059	18.0
83.01330	1.2
83.04996	2.7
83.08149	0.7
83.08620	11.4
85.02913	5.6
85.06537	1.0
85.10184	9.4
89.06007	1.3
91.03981	2.9
91.05470	4.5
93.07047	21.8
95.04968	3.6
95.08611	33.2
97.02905	5.4
97.06521	2.7
97.10172	3.3
99.04455	3.0
99.11735	0.7
103.05463	0.6
103.07582	1.0
105.07029	4.5
107.04967	5.8
107.08601	16.3
109.06505	1.7
109.10159	7.6
111.04459	0.6
111.08070	0.9
111.11710	0.6
117.07011	5.4
117.09095	0.4
119.07802	0.6
119.08590	7.6
119.09850	0.4
121.06513	3.4
121.10148	9.8
123.08087	0.9
123.11741	2.9
125.05975	2.3
127.03875	1.1
127.07605	0.5
130.07762	0.9
131.08614	0.5
133.10182	1.9
135.08046	1.3
135.11697	35.4
137.13219	0.8
139.07542	1.4
143.08537	0.6
145.04903	0.8
145.10127	20.9
151.14767	0.5
153.12701	0.8
163.05978	1.1
163.11186	51.0
173.09596	1.2
181.12236	10.2
209.11745	1.6
221.22504	0.5
227.12788	53.6
239.23752	2.0
257.24750	1.8
267.15933	0.4
283.15408	92.1
284.15762	0.6
306.07019	0.4
313.27371	91.1
314.27744	1.1
340.13339	0.4
459.55566	0.4
473.53278	0.4
521.38409	100.0
522.38519	2.4
681.65729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	10.6
65.03941	1.4
67.05169	1.7
67.05511	22.2
68.78557	1.1
69.03423	3.5
69.07077	19.7
71.05001	2.3
71.08623	1.5
71.53566	1.2
73.02909	2.9
79.05070	1.4
79.05497	16.7
81.03428	36.9
81.07066	27.2
83.04992	9.9
83.08625	31.2
85.02443	1.6
85.02914	26.4
91.03976	7.3
91.04980	1.4
91.05494	18.5
93.07050	15.9
95.04985	14.5
95.08626	15.7
97.02902	7.9
97.06513	4.7
97.10172	8.4
99.04424	1.1
99.08071	3.1
105.06399	1.1
105.07038	13.5
106.88261	1.0
107.04950	4.0
107.08603	7.4
109.06493	2.7
109.10132	6.1
111.04430	1.6
111.08082	7.9
111.11735	1.5
113.05988	1.8
115.05399	1.3
119.08604	13.0
121.10151	17.2
123.08060	1.5
123.11707	3.6
125.09638	2.9
127.03925	2.1
129.07021	6.7
131.08569	9.1
133.06517	2.0
133.10162	7.1
135.11717	4.9
137.09677	2.0
137.13252	1.7
142.07779	1.9
145.04939	1.9
147.08044	1.5
147.11713	9.7
149.09610	5.6
149.13290	1.6
157.10136	11.3
163.06003	2.5
165.12804	1.5
175.11171	9.6
193.12257	27.4
211.13321	41.9
211.42967	1.0
219.21078	1.7
231.65358	1.0
237.22121	1.5
267.15948	17.7
283.15854	1.0
285.16983	64.6
301.22095	1.1
311.25827	57.8
503.37399	13.0
521.38434	100.0
522.38348	3.0
555.98517	1.1
730.60358	1.0
777.66589	1.2
880.51440	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	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	8.1
65.03907	0.3
67.05504	8.6
69.03436	1.6
69.07066	4.9
71.01318	0.9
71.04992	1.9
71.08630	12.7
73.02914	2.9
73.06519	0.3
75.04449	0.2
77.03900	0.3
79.05489	8.2
81.03418	5.3
81.07054	14.0
83.01334	4.2
83.04980	5.2
83.08617	9.5
85.02901	11.8
85.06497	0.7
85.10177	7.9
89.05989	1.0
91.03425	0.4
91.03952	6.4
91.05474	5.1
93.07041	10.5
95.04475	0.2
95.04967	3.0
95.08604	12.8
96.04457	0.3
97.02298	0.4
97.02888	6.0
97.05997	0.2
97.06519	2.2
97.09555	0.2
97.10157	3.1
98.21520	0.6
99.04448	2.1
99.08009	0.3
99.11690	0.7
103.05437	0.3
103.07544	0.5
105.06396	0.3
105.07030	3.9
107.04305	0.3
107.04955	4.2
107.08593	6.1
109.02843	0.6
109.06519	3.6
109.09457	0.3
109.10146	4.6
111.04451	1.1
111.08035	0.6
111.11669	0.6
115.03882	0.6
115.34901	0.2
117.07011	3.5
119.07816	0.2
119.08579	4.0
120.53410	0.2
121.06515	1.3
121.09343	0.2
121.10137	3.9
123.04469	0.3
123.08065	4.4
123.11709	1.9
125.06000	1.0
125.09575	0.7
125.13261	0.3
127.03899	2.3
129.06953	0.7
130.07748	0.4
130.54962	0.2
131.08572	1.8
131.10645	0.2
133.10103	1.1
135.04468	0.3
135.08070	1.2
135.10716	0.4
135.11693	6.6
137.09579	0.8
137.13219	0.7
139.07455	0.3
139.11182	0.4
145.04958	3.0
145.06288	0.3
145.10118	9.0
147.08029	1.2
147.11617	0.2
149.09598	0.4
151.14772	0.3
153.12762	1.5
155.08484	0.9
158.07239	0.2
163.06010	4.0
163.11174	13.6
167.59538	0.2
173.09610	2.2
181.12204	2.2
191.10666	1.5
209.11708	3.7
227.12746	1.6
239.23663	1.2
257.17972	0.2
257.24780	1.3
283.15381	100.0
284.15750	1.1
313.27347	69.3
314.27655	1.0
519.72125	0.3
521.38373	50.8
522.38776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	6.1
65.03928	1.1
67.05508	15.1
69.03432	2.8
69.07075	16.0
71.04986	2.0
71.08616	1.5
73.02925	2.5
77.03915	0.6
79.05499	13.2
81.03423	28.5
81.07063	20.7
83.04990	7.2
83.08151	0.9
83.08626	17.2
85.02911	17.6
85.06522	1.5
91.03967	5.2
91.05487	12.7
93.07061	11.2
93.07649	1.0
95.04977	11.3
95.08613	11.3
97.02896	5.3
97.06554	3.0
97.10172	7.1
99.04418	0.6
99.08096	1.1
105.07034	9.5
107.04979	2.5
107.08613	6.9
109.06533	2.0
109.10151	5.1
111.04449	1.3
111.08100	6.1
111.11723	0.8
113.06029	1.2
115.05498	0.6
119.08594	8.6
121.10151	10.8
123.08086	1.2
123.11725	2.7
125.09630	1.6
127.03955	2.6
129.07019	4.2
131.08591	3.8
133.06511	1.4
133.10150	5.4
135.11703	4.6
137.09631	1.0
137.13208	1.3
142.07800	1.5
145.04982	1.5
145.10172	0.9
147.08084	1.2
147.11688	7.3
149.09605	2.3
149.13223	1.5
153.12706	0.6
154.59300	0.6
157.10149	7.4
163.06027	2.2
163.14708	0.6
165.12819	1.0
175.11200	6.9
193.12262	22.3
211.13312	35.4
229.32480	0.7
237.22107	1.2
267.15961	14.3
285.16983	56.2
311.25821	54.5
324.58826	0.7
330.93030	0.6
347.83444	0.6
367.24860	0.6
429.34100	0.7
503.37396	13.7
521.38422	100.0
522.38611	1.8
880.51813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.5
67.05503	9.1
69.03440	1.7
69.07064	5.1
69.93960	1.2
71.04988	1.6
71.08628	9.9
73.02903	1.5
79.05063	0.4
79.05490	5.2
81.03414	21.4
81.06577	0.6
81.07050	10.7
83.04983	4.1
83.08615	11.5
85.02903	12.0
85.06541	0.8
85.10184	5.5
87.04488	0.4
89.06021	0.3
91.03960	2.7
91.05478	7.4
93.07041	4.9
95.04964	8.8
95.08601	9.2
96.08894	0.3
97.02888	3.3
97.06528	1.0
97.10166	3.5
99.04459	0.5
99.08095	0.6
99.11718	0.4
103.07573	0.5
105.07025	5.9
107.04949	2.3
107.08577	2.3
109.06493	1.4
109.10146	4.5
111.04450	1.1
111.08075	4.0
111.11691	0.5
113.05988	0.7
115.05457	0.3
117.07059	0.4
118.68086	0.3
119.04911	0.3
119.08564	5.1
121.06482	0.7
121.10152	2.9
123.08082	0.7
123.11717	2.1
125.09611	0.4
127.03895	1.2
129.07001	2.2
131.08583	2.7
133.06523	0.9
133.10121	3.5
135.11722	0.8
137.09586	0.4
137.13297	0.5
142.07803	0.6
145.04930	1.5
145.10136	0.9
147.08017	1.3
147.11688	5.0
149.09615	2.1
157.10106	5.1
157.11298	0.4
163.06046	1.0
163.11168	1.3
164.11540	0.9
165.12747	1.2
168.27266	0.3
175.11153	5.6
181.12213	0.4
187.75957	0.3
187.90332	0.3
193.12242	19.4
211.13286	24.0
227.12837	0.3
239.23668	1.3
249.14955	0.4
257.24738	0.7
267.15912	10.1
283.15485	2.4
284.15729	1.5
285.16959	25.2
313.27350	33.9
314.27612	2.1
315.28030	0.8
355.17419	0.6
429.21515	0.7
505.38834	7.2
521.38385	1.0
522.38629	2.0
523.39911	100.0
524.40015	2.2
667.44098	1.0
852.12988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.8
67.05508	10.8
69.03434	2.5
69.07072	5.8
70.80094	0.4
71.04956	1.8
71.08636	14.4
71.53636	0.7
73.02920	1.9
77.46759	0.4
79.05496	7.4
81.03423	22.9
81.07061	15.7
83.04991	5.3
83.08624	13.3
85.02908	13.9
85.06522	0.7
85.10188	8.3
87.04453	0.6
89.06017	1.0
89.87550	0.4
91.03964	4.0
91.05489	11.1
93.03316	0.5
93.07048	6.0
95.04978	8.3
95.08615	11.6
97.02898	4.2
97.06496	1.4
97.10168	4.2
99.04457	0.8
99.08076	0.6
99.11705	0.6
100.11136	0.4
103.07548	0.4
105.07037	7.3
107.04934	2.4
107.08611	2.6
109.06481	1.8
109.09480	0.4
109.10156	5.0
111.04445	0.9
111.08085	3.7
111.11701	0.6
113.05938	1.1
114.08601	0.4
115.05467	0.7
117.94727	0.4
119.07825	0.5
119.08591	6.4
121.10146	3.5
123.08055	0.8
123.11716	2.4
125.09631	0.6
127.03877	1.6
129.07013	4.3
131.08585	3.8
133.06471	0.9
133.10143	3.9
137.09567	0.7
137.13242	1.4
142.07759	1.4
144.95570	0.4
145.04987	1.9
145.10228	0.6
147.08020	1.1
147.11693	6.7
149.09621	2.3
157.10143	5.7
163.05989	1.8
165.12735	0.8
175.11205	6.0
193.12251	15.9
211.13298	20.0
222.82883	0.4
239.23672	1.3
257.24725	1.3
267.15918	12.1
279.12756	0.4
285.13629	0.6
285.16977	33.0
313.27380	64.8
314.27774	1.3
447.24585	0.5
505.38913	16.5
515.51917	0.5
523.39984	100.0
524.40350	2.2
667.44623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05504	17.8
69.03430	3.5
69.07068	7.4
69.07363	0.2
69.07448	0.3
70.12295	1.0
70.71658	0.2
71.01360	0.6
71.04992	2.5
71.08627	17.0
73.02908	3.0
79.05490	13.1
79.05965	0.5
81.03415	38.2
81.07055	22.8
81.77282	0.3
83.04978	10.1
83.08615	20.0
85.02901	24.4
85.06541	2.0
85.10180	10.8
87.04464	0.5
89.06045	1.2
91.03954	6.9
91.05476	17.9
93.07043	9.5
95.04965	15.1
95.08602	17.4
96.04504	0.3
97.02886	7.7
97.06531	2.4
97.10168	5.1
99.04450	0.8
99.08086	0.8
99.11731	0.7
101.06009	0.3
103.07596	0.7
105.04499	0.3
105.07027	12.5
107.04955	4.3
107.08592	4.3
109.02879	0.5
109.06518	2.7
109.10153	6.8
109.52037	0.2
111.04449	1.8
111.08078	6.7
111.11729	0.9
113.06031	1.5
115.03934	0.4
115.05458	0.7
117.06979	0.6
117.09137	0.3
118.84995	0.2
119.04914	0.5
119.08574	11.0
121.06490	1.2
121.10140	5.6
123.08086	1.1
123.11707	3.3
125.09597	0.7
125.13271	0.3
127.03919	2.7
127.07605	0.3
128.06273	0.3
129.05539	0.3
129.07002	7.2
131.08562	7.1
133.06505	1.9
133.10130	7.2
135.11720	0.4
136.54572	0.2
137.09618	1.1
137.13231	1.3
142.07790	1.8
144.06517	0.3
145.04984	2.7
145.10115	0.9
147.08034	1.9
147.11684	9.9
149.09613	4.9
151.11195	0.5
151.14874	0.3
155.08496	0.3
157.10124	9.5
163.06024	3.7
163.11209	0.8
165.12755	2.2
165.16386	0.3
175.11169	9.2
187.16994	0.3
193.12236	28.1
211.13280	39.7
212.13632	0.4
222.20399	0.3
239.23793	1.5
249.14902	0.4
257.24762	1.8
263.26709	0.3
267.15897	17.1
268.16327	0.4
285.16946	62.0
286.17365	0.6
299.93643	0.3
313.27350	63.0
314.27731	0.6
434.38013	0.3
505.38858	14.5
506.38983	0.3
523.39929	100.0
524.40265	2.7
667.44476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03890	0.5
67.05505	42.2
67.05835	1.6
67.06004	1.2
69.03384	1.6
69.07072	4.7
69.62037	1.4
69.62469	1.7
71.04994	12.5
71.08631	13.9
73.02873	1.4
73.35570	0.5
79.05490	4.6
81.03382	1.1
81.07053	13.1
83.04935	2.0
83.08624	8.5
85.02911	7.0
85.06503	1.6
85.10188	8.3
87.02650	0.5
91.03953	4.1
91.05477	5.2
93.07045	7.6
95.04941	1.0
95.08607	15.6
97.02888	3.5
97.06494	1.6
97.10169	4.4
99.04424	0.7
99.08084	0.9
105.07034	0.7
107.08566	3.5
109.10155	38.8
111.08042	1.7
111.11682	0.8
113.13262	0.5
117.06966	0.8
119.08587	6.5
121.10107	2.1
123.11720	3.0
125.13280	0.7
127.03861	1.9
129.57327	0.5
135.11711	5.0
137.09627	6.9
137.13216	1.7
145.04901	0.9
145.10069	1.5
151.14728	0.7
155.10585	2.5
155.91350	0.4
163.05939	1.9
163.11145	1.9
169.12161	1.1
173.11737	6.9
181.12207	1.7
187.13203	0.6
211.13226	0.7
211.52925	0.5
225.45111	0.5
239.23735	2.5
243.15872	1.0
244.13617	0.5
255.15967	3.6
287.18524	15.6
313.27353	12.8
377.13812	0.6
431.22873	1.2
467.37338	67.9
468.37680	1.5
481.38736	1.6
493.38943	5.4
510.70605	0.5
524.40778	0.5
525.41516	100.0
526.41772	2.2
669.46100	1.0
702.14050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.8
69.03427	2.9
69.07065	0.6
69.38012	0.9
71.01340	0.6
71.04994	0.5
71.08630	1.4
73.02916	3.4
78.32696	0.1
79.05501	0.7
81.03421	1.8
81.07058	1.2
83.01344	0.3
83.04973	0.5
83.08614	0.7
85.02905	5.9
85.10193	0.9
87.04478	0.2
87.92680	0.1
89.06009	0.1
91.03954	3.5
91.05482	0.6
93.07054	0.7
95.04980	0.3
95.08607	1.2
97.02890	5.4
97.06541	0.2
97.10175	0.3
99.04445	0.9
101.02378	1.7
103.03936	0.3
105.07030	0.3
107.04967	0.2
107.08620	0.3
109.02888	0.9
109.06545	0.2
109.10193	0.6
115.03944	0.5
117.07020	0.2
119.08566	0.3
121.06532	0.2
121.10148	0.3
123.08084	0.2
123.11722	0.3
127.03927	1.6
131.08633	0.2
135.11728	0.5
145.04968	0.5
145.10107	0.6
145.82857	0.1
147.08060	0.1
163.11185	1.2
181.12279	0.1
183.06558	0.2
185.04207	1.0
191.10611	0.1
201.03702	0.1
202.75703	0.1
203.05228	0.7
206.31812	0.1
209.11852	0.3
227.12856	0.2
239.23691	0.3
243.08369	1.9
245.06519	0.1
249.11102	0.3
259.07990	0.3
283.15326	0.6
305.08386	0.2
305.13678	0.4
313.27493	0.9
341.27042	0.2
347.09430	2.5
363.08801	0.3
365.10535	1.0
405.13675	5.8
421.13098	0.2
467.18915	8.6
497.30869	5.1
526.42346	0.2
629.24164	7.4
659.36139	4.6
723.42847	2.1
855.34595	0.1
885.48108	100.0
886.48242	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	885.482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48390	0.4
67.05510	1.3
68.55673	0.4
69.03436	3.0
69.07080	0.6
71.08639	1.1
71.53304	0.6
73.02920	3.2
79.05492	0.8
79.57501	0.4
81.03433	1.8
81.07064	1.6
83.08630	1.2
85.02898	5.1
85.10185	0.7
87.04489	0.6
91.03950	2.4
93.07063	2.3
94.92088	0.5
95.08609	2.8
97.02897	4.1
99.04495	1.1
101.02399	1.7
107.04931	0.5
107.08597	1.1
107.55399	0.4
109.02860	1.0
109.10163	0.7
117.07033	0.6
127.03909	1.0
135.11703	2.1
145.10204	1.0
163.11208	2.4
185.04237	0.5
203.05406	0.6
220.17514	0.5
222.17722	0.5
227.12723	2.7
243.08510	1.6
249.10988	6.0
305.13669	2.1
310.91425	0.5
313.27432	1.2
314.27679	0.5
347.09399	2.4
363.08630	0.5
365.10501	0.8
405.13699	5.3
467.18909	11.2
497.30801	6.0
526.41339	0.7
629.24188	8.2
659.36096	5.6
723.42303	3.3
885.48151	100.0
886.48621	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	886.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.3
67.05505	14.7
69.03433	3.3
69.07071	3.8
70.41654	1.1
71.01372	0.4
71.04999	3.0
73.02917	1.3
79.05495	15.2
81.03419	66.6
81.07057	14.4
83.04979	7.8
83.08623	19.1
83.09034	0.3
85.02906	11.5
85.06544	1.1
87.04434	0.4
91.03975	2.2
91.05484	20.5
93.06475	0.7
93.07044	10.6
93.24783	0.4
95.04973	22.8
95.08603	6.5
97.02884	4.1
97.06542	2.6
97.10178	4.9
99.04453	0.8
99.08101	1.4
101.06190	0.4
103.05460	0.5
105.07033	14.1
107.04962	7.4
107.05639	0.7
107.08593	6.8
109.02885	0.6
109.06519	4.3
109.10166	3.4
111.04430	2.7
111.07362	0.7
111.08082	7.9
113.06001	1.1
115.05476	1.2
117.07031	2.7
119.04962	1.0
119.08587	13.5
121.06514	4.6
121.10149	7.2
123.04437	1.2
123.08059	2.4
123.11746	0.8
125.09637	4.3
127.03912	0.7
127.07591	0.6
128.06221	0.9
129.07013	10.3
131.04936	1.4
131.08571	9.4
133.06494	3.4
133.10136	7.0
135.08051	1.6
135.11649	0.8
137.05988	1.2
137.09625	2.1
139.03918	0.4
139.11189	0.4
141.06992	1.1
141.96207	0.4
142.07787	2.5
143.08571	1.5
144.02255	0.4
145.04907	0.7
145.06480	4.6
145.10121	2.6
147.04401	0.8
147.08078	3.8
147.11699	9.8
149.09627	5.5
151.07619	0.4
151.11194	0.9
153.09113	0.7
155.08542	1.3
157.06519	0.7
157.10135	12.2
159.08080	1.3
159.11720	0.8
161.05968	1.0
161.09615	1.1
163.06052	0.7
163.11191	2.1
165.12737	2.7
167.07115	0.5
167.08542	0.6
167.10693	0.4
169.10146	1.1
171.08057	0.7
171.11713	0.9
173.06117	0.5
173.09660	0.7
173.11816	0.6
173.13567	0.4
175.11186	12.2
181.10223	0.4
183.08124	0.9
183.11795	0.5
185.09694	0.7
185.13298	0.6
187.11209	0.7
187.14784	0.5
189.09041	0.5
189.11224	1.4
189.12781	0.9
193.12247	32.5
195.11699	1.3
197.09612	0.8
197.13300	0.9
199.11203	0.6
205.12247	1.2
209.13438	0.5
211.11368	0.5
211.13278	13.0
213.12817	0.8
215.14220	0.4
219.13901	0.5
221.11656	0.4
225.12746	0.5
227.12570	0.9
227.14577	0.5
229.14395	1.1
231.13809	0.6
233.15392	1.3
235.11256	0.4
235.13263	0.5
237.12810	1.0
249.14819	2.1
251.14204	0.4
255.13794	2.6
267.15921	100.0
268.15909	0.8
273.14832	4.8
285.16986	10.3
287.16306	0.6
301.14343	0.6
304.69147	0.3
309.17093	0.9
310.32434	0.4
323.19647	0.7
339.23138	1.0
341.21005	2.1
349.21677	3.0
367.22665	7.1
385.23758	8.4
403.24802	3.0
405.24271	1.0
415.24911	0.8
423.25034	0.4
433.25903	16.6
441.26379	7.3
459.27426	82.4
460.27945	1.6
477.28497	49.1
478.28769	1.0
491.29929	1.5
501.28473	2.0
509.31113	1.0
519.29480	2.8
527.31866	0.4
543.29492	0.6
567.28967	0.5
585.30499	1.9
603.31702	1.8
621.32874	0.9
728.04803	0.4
757.02307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	1.8
67.63915	0.5
69.03443	2.4
69.07075	1.4
70.08501	1.1
70.08871	2.0
71.01353	0.6
71.04992	0.6
71.08634	1.3
73.02906	3.3
79.05500	1.3
81.03431	2.9
81.07074	2.4
83.08628	1.2
85.02921	5.5
85.10191	0.8
89.02822	0.7
91.03976	2.0
91.05498	0.7
92.26579	0.5
93.07047	1.4
94.97578	0.5
95.04990	1.2
95.08631	1.3
97.02896	5.5
98.20808	0.7
99.04462	0.9
101.02448	0.7
105.07052	0.8
109.02906	0.8
109.10172	1.0
110.90178	0.5
119.08604	0.9
127.03935	1.8
133.10143	0.6
147.11687	0.6
193.12347	2.1
211.13345	1.1
243.08444	1.5
251.12744	2.0
307.15262	1.2
313.27539	1.0
347.09399	2.6
365.10733	0.7
405.13733	6.0
469.20364	10.2
497.30887	5.4
631.25885	6.2
659.36151	4.9
725.44220	2.6
831.06110	0.7
849.16669	0.6
887.49756	100.0
888.50195	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	887.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.1
67.05511	1.3
69.03432	3.3
69.07077	0.5
70.79273	0.3
71.01368	0.6
71.05006	0.6
71.08640	1.2
73.02917	3.3
73.03304	0.2
79.05495	1.0
79.20520	0.1
81.03419	2.7
81.03863	0.2
81.07052	1.9
83.01360	0.2
83.04984	0.4
83.08625	1.0
85.02906	5.5
85.06558	0.3
85.10190	0.8
87.04496	0.4
91.03955	3.3
91.04523	0.2
91.05487	1.3
93.07052	0.7
95.04996	0.6
95.08605	1.6
97.02891	5.3
97.06528	0.2
97.10192	0.4
98.96904	0.1
99.04459	0.9
101.02382	1.9
103.03954	0.4
105.07021	0.8
107.04980	0.2
107.08592	0.3
109.02872	0.9
109.06564	0.2
109.10158	0.6
111.08122	0.4
115.03950	0.4
117.05511	0.1
117.81415	0.1
119.08605	0.6
121.10188	0.6
122.62100	0.1
122.69475	0.1
123.11716	0.3
127.03916	2.2
129.07060	0.4
131.08598	0.5
133.10114	0.6
145.05006	0.5
145.10110	0.2
147.08044	0.2
147.11693	0.5
149.09637	0.2
157.10214	0.5
162.97716	0.1
175.11208	0.6
183.06648	0.2
185.04198	1.1
193.12260	0.8
201.03627	0.2
203.05339	0.6
211.13280	0.6
229.97942	0.2
239.23659	0.2
243.08423	1.9
243.10771	0.2
251.12561	0.8
259.07983	0.2
260.24417	0.1
269.12631	0.2
285.09995	0.2
285.17059	0.3
306.72168	0.1
307.15292	0.5
313.27405	1.1
333.24399	0.1
335.25809	0.2
341.27051	0.2
347.09500	2.9
363.09055	0.5
365.10501	0.9
405.13687	5.3
406.14352	0.2
421.13235	0.2
455.22968	0.2
469.20444	8.1
497.30890	5.1
529.39081	0.5
553.74414	0.1
563.39771	0.2
631.25720	7.4
632.26593	0.2
659.36139	5.0
725.44617	2.4
887.49713	100.0
888.49786	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	888.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.8
67.05506	54.0
69.03437	3.4
69.07069	14.3
70.13134	0.8
71.04998	3.8
71.08629	0.8
71.54825	1.3
73.02912	4.1
79.05493	33.6
81.03419	3.9
81.07058	65.0
83.04979	4.4
83.08624	10.5
85.02901	12.2
85.06538	2.8
91.03949	6.2
91.05476	25.7
93.07042	43.5
95.04963	4.3
95.08603	29.9
97.02882	6.9
97.06516	5.3
97.10173	2.8
99.04489	0.8
99.08078	1.3
105.04527	1.2
105.07030	11.5
107.04964	1.0
107.08595	24.7
109.02873	1.1
109.06533	1.7
109.10156	13.6
111.08103	1.8
117.07011	6.5
119.08579	7.4
121.10145	13.8
121.10920	1.2
123.08123	1.2
123.11722	4.9
125.09689	1.3
127.03951	2.3
131.08578	9.0
133.10132	10.7
134.43698	1.0
135.08076	1.2
135.11697	10.1
137.13309	0.9
144.09416	0.8
145.05028	3.5
145.10149	4.9
147.11774	4.3
149.13249	10.9
149.14180	0.9
151.11212	1.2
155.08679	0.9
159.11714	6.7
159.34280	0.9
161.13318	2.7
163.06036	3.0
163.14929	1.2
171.11720	0.9
173.11888	1.0
173.13269	2.0
175.47597	0.8
177.12842	2.7
179.14365	1.1
187.14890	2.2
195.13818	6.8
215.28471	0.8
219.07706	0.8
241.52252	0.9
243.21193	3.2
253.14438	1.3
261.22098	6.5
267.16110	1.5
269.17484	45.5
275.20428	1.5
293.21149	0.9
296.45502	0.8
317.24838	1.6
335.25787	71.9
437.34351	2.5
455.35538	1.5
469.20923	1.4
511.37970	1.4
529.38892	100.0
530.39355	2.3
547.40320	3.5
628.67871	0.9
632.25903	1.5
888.50092	29.5
889.49823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.3
67.05511	100.0
69.03442	9.4
69.06732	1.8
69.07080	29.7
71.01366	2.2
71.04976	6.8
73.02908	2.0
79.05503	51.3
81.03432	24.3
81.07066	79.7
83.04996	13.4
83.08622	18.6
85.02916	13.9
85.06573	3.6
87.04463	4.4
91.05489	47.6
93.06490	2.7
93.07059	50.7
95.04991	13.7
95.08617	33.7
97.02893	6.4
97.06538	15.5
97.10180	15.1
99.04462	2.7
99.08085	3.3
103.03951	2.2
105.07042	35.6
107.04968	9.0
107.08613	33.1
107.09303	1.6
109.06557	9.7
109.10170	54.0
109.10921	2.9
111.04431	3.2
111.08097	9.3
113.06011	2.1
115.05474	2.1
116.06242	1.6
117.07035	18.7
119.08595	26.5
121.06490	5.4
121.10150	15.4
123.04380	1.8
123.08064	5.5
123.11683	2.3
125.09634	15.8
127.03958	2.0
129.05473	4.5
129.07004	7.9
131.08540	17.2
133.06459	2.0
133.10159	19.3
135.08047	4.9
135.11708	18.4
137.09607	7.0
141.06993	2.1
143.08524	4.5
145.06494	2.5
145.10152	15.5
147.11690	10.2
149.09656	13.3
149.13258	8.0
151.11137	3.4
153.12741	2.7
155.08646	2.0
155.10745	2.9
157.08621	2.3
157.10132	5.3
159.11705	10.9
161.13309	2.4
163.11198	12.2
165.12764	2.7
169.10152	3.6
171.10211	1.7
171.11703	5.5
173.04477	2.7
173.09570	2.3
173.11749	13.4
173.13150	2.9
175.11197	2.4
177.12784	4.1
179.14331	1.7
181.12230	4.5
183.11713	1.8
185.13248	2.2
187.11195	2.0
187.14850	1.8
189.11240	3.9
191.10675	2.9
193.12268	5.8
195.13760	5.8
199.13316	5.3
209.11772	5.1
211.13239	2.2
217.14388	2.7
227.12798	12.4
229.14383	38.4
229.46278	2.7
239.17929	2.9
251.16449	1.5
255.15845	6.1
257.19055	6.1
259.20609	1.8
267.15887	6.0
269.17496	22.2
275.20114	20.4
283.15408	7.2
291.19412	2.2
293.21127	4.1
301.16431	16.6
331.22598	1.8
335.25873	3.4
349.23843	16.8
355.84317	1.7
394.60223	1.8
399.23813	14.0
409.25952	7.8
411.27243	1.7
413.21545	2.2
423.27405	21.4
477.28345	2.3
495.29755	7.5
503.33652	11.2
507.29364	5.4
521.34491	1.8
529.38794	4.4
557.34283	2.0
575.36047	3.6
579.34821	4.2
593.36884	24.8
673.42560	6.8
888.48895	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	888.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.8
67.05506	54.0
69.03437	3.4
69.07069	14.3
70.13134	0.8
71.04998	3.8
71.08629	0.8
71.54825	1.3
73.02912	4.1
79.05493	33.6
81.03419	3.9
81.07058	65.0
83.04979	4.4
83.08624	10.5
85.02901	12.2
85.06538	2.8
91.03949	6.2
91.05476	25.7
93.07042	43.5
95.04963	4.3
95.08603	29.9
97.02882	6.9
97.06516	5.3
97.10173	2.8
99.04489	0.8
99.08078	1.3
105.04527	1.2
105.07030	11.5
107.04964	1.0
107.08595	24.7
109.02873	1.1
109.06533	1.7
109.10156	13.6
111.08103	1.8
117.07011	6.5
119.08579	7.4
121.10145	13.8
121.10920	1.2
123.08123	1.2
123.11722	4.9
125.09689	1.3
127.03951	2.3
131.08578	9.0
133.10132	10.7
134.43698	1.0
135.08076	1.2
135.11697	10.1
137.13309	0.9
144.09416	0.8
145.05028	3.5
145.10149	4.9
147.11774	4.3
149.13249	10.9
149.14180	0.9
151.11212	1.2
155.08679	0.9
159.11714	6.7
159.34280	0.9
161.13318	2.7
163.06036	3.0
163.14929	1.2
171.11720	0.9
173.11888	1.0
173.13269	2.0
175.47597	0.8
177.12842	2.7
179.14365	1.1
187.14890	2.2
195.13818	6.8
215.28471	0.8
219.07706	0.8
241.52252	0.9
243.21193	3.2
253.14438	1.3
261.22098	6.5
267.16110	1.5
269.17484	45.5
275.20428	1.5
293.21149	0.9
296.45502	0.8
317.24838	1.6
335.25787	71.9
437.34351	2.5
455.35538	1.5
469.20923	1.4
511.37970	1.4
529.38892	100.0
530.39355	2.3
547.40320	3.5
628.67871	0.9
632.25903	1.5
888.50092	29.5
889.49823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.6
67.05511	0.1
68.99795	0.1
69.03430	10.0
70.98885	0.2
71.01356	1.0
71.04994	6.4
73.02918	10.7
74.84959	0.1
75.04489	0.4
81.03406	0.3
83.04989	1.0
85.02906	11.3
87.04483	0.9
89.02333	0.1
91.04906	0.2
91.05480	3.9
95.04973	0.2
97.02891	4.0
99.04448	0.4
103.03944	3.3
105.07069	0.1
107.04956	0.4
109.02865	0.5
111.00809	0.3
111.04449	0.8
113.02362	0.2
113.06025	0.4
115.03931	4.8
117.05547	0.1
119.04945	13.4
121.02842	0.3
121.79957	0.1
123.04430	0.2
127.03920	2.7
129.05481	3.3
131.03377	0.2
133.04977	1.5
133.06485	0.1
137.02351	0.5
137.05914	0.1
139.03947	0.2
145.04956	0.1
147.04410	100.0
148.04712	0.5
149.04453	4.6
153.01831	0.8
157.05084	0.2
157.06465	0.2
161.05942	0.1
163.03934	0.3
165.01875	0.4
165.05489	2.9
169.04971	0.6
171.06555	0.1
173.06001	0.1
175.06004	0.5
181.04919	0.1
183.03003	0.2
185.06021	0.1
187.06061	0.1
187.07578	0.1
201.05507	0.8
203.07181	0.1
225.07603	0.5
229.05002	0.8
231.06525	0.2
243.08672	0.4
247.05952	0.2
257.04510	0.6
261.07498	0.7
261.09604	0.1
274.04788	0.2
275.09128	0.3
279.08615	1.0
285.03928	0.2
287.05533	0.2
291.08627	4.7
293.10138	0.8
303.04993	28.5
304.05316	0.3
309.09683	18.9
310.10037	0.1
345.79245	0.1
389.11359	0.1
396.30411	0.1
415.90482	0.1
428.09030	0.1
441.13901	0.2
449.10266	0.2
455.15277	0.3
611.13715	0.2
733.42273	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	889.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.5
67.05499	0.3
69.03432	12.2
69.33411	0.9
71.01359	1.1
71.04597	0.2
71.04996	3.8
73.02920	14.1
75.04464	0.5
79.05478	0.2
81.03436	0.8
81.07047	0.3
82.81633	0.1
83.04990	1.1
85.02907	9.7
87.04469	1.1
91.05482	6.0
91.05921	0.1
93.07050	0.2
95.04945	0.4
97.02895	5.2
98.20777	0.3
99.04482	0.3
103.03944	5.2
105.07041	0.3
107.04943	0.5
109.02873	0.4
109.10175	0.2
111.00825	0.3
111.04452	0.8
113.02376	0.4
113.06003	0.5
115.03932	6.5
117.07022	0.2
119.04947	14.7
119.08563	0.3
121.02863	0.5
121.10132	0.2
123.04427	0.3
127.03925	2.7
129.05487	2.1
129.06953	0.2
131.04893	0.3
131.08571	0.2
133.04958	2.1
133.06499	0.3
133.10152	0.2
137.02338	0.9
137.05971	0.4
139.03926	0.3
142.17151	0.2
145.04932	0.2
145.06511	0.2
147.04413	100.0
148.04768	0.7
148.66048	0.2
149.04456	8.0
151.03952	0.2
153.01859	1.1
161.05914	0.2
163.03987	0.2
165.01892	0.5
165.05487	2.3
167.07037	0.2
169.04987	1.4
173.05937	0.3
175.06047	1.2
183.02811	0.3
185.05980	0.2
187.07533	0.2
189.05521	0.2
201.05531	0.7
201.07286	0.2
203.07066	0.2
207.83255	0.1
209.11620	0.2
213.05518	0.2
225.07616	0.4
229.04996	1.3
231.06519	0.2
243.08601	0.3
247.06006	0.3
257.04385	1.0
274.04764	0.2
275.09039	0.7
279.08716	0.2
285.03888	0.6
287.05594	0.3
291.08658	4.5
293.10165	0.8
303.04996	43.6
304.05273	0.4
309.09702	12.3
310.10114	0.2
425.96249	0.2
447.40283	0.2
449.10629	0.3
455.15646	0.3
473.81335	0.2
476.28043	0.2
494.28003	0.2
511.28403	0.3
598.96301	0.2
611.13977	0.3
838.19647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.8
67.05505	0.2
69.03431	4.8
70.53696	0.1
71.01375	0.3
71.04995	8.5
71.54784	0.1
73.02919	3.2
75.04475	0.3
79.05496	0.2
81.03423	0.4
81.07076	0.2
81.52510	0.1
83.04989	1.1
85.02907	11.0
87.04486	0.3
91.05483	5.7
93.03391	0.1
93.07076	0.1
95.04984	0.4
96.51008	0.1
97.02892	2.0
99.04449	0.4
103.03942	0.4
105.07064	0.3
107.04985	0.4
107.08589	0.1
109.02869	0.4
109.10151	0.2
111.00813	0.3
111.04445	1.1
113.02483	0.1
115.03940	1.5
117.07014	0.2
119.04947	16.0
121.02873	0.4
121.06548	0.1
123.04436	0.4
127.03921	1.8
129.05489	3.2
131.04944	0.1
133.04959	0.4
133.06490	0.2
135.04427	0.3
135.11826	0.1
137.02324	0.9
137.05988	0.3
139.03905	0.3
143.03470	0.1
145.04961	0.3
145.06511	0.2
147.04413	100.0
148.04776	0.7
149.02335	0.1
149.04497	0.2
151.03885	0.1
153.01823	1.2
157.06479	0.2
161.05980	0.2
163.03931	1.1
163.07532	0.1
165.01855	0.5
165.05492	3.5
167.07030	0.2
169.05022	0.2
171.06531	0.1
172.86710	0.1
173.06013	0.3
177.05527	0.2
183.02890	0.3
187.04004	0.2
187.07516	0.1
199.03926	0.1
201.05447	1.1
208.09615	0.1
213.05655	0.1
217.05046	0.2
225.07600	0.7
229.04988	1.4
231.06482	0.2
243.06551	0.1
243.08740	0.3
247.05943	0.2
257.04395	0.8
261.07562	2.1
261.09998	0.2
274.04788	0.3
275.09177	0.4
279.08536	1.9
285.04001	0.4
286.04782	0.1
287.05530	1.1
291.08633	2.7
293.10077	0.8
303.04996	41.4
304.05331	0.4
309.09689	9.4
327.04813	0.5
345.06003	0.1
421.09106	0.2
441.13913	0.1
455.15411	0.1
464.63168	0.1
580.68457	0.1
611.13971	1.7
889.30530	0.3
889.46228	0.2
923.12793	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	891.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.9
69.03437	4.1
69.07076	1.0
69.80172	1.4
71.01364	0.6
71.05003	0.9
72.20106	0.3
72.54724	0.3
73.02918	3.1
79.05490	1.8
81.03423	4.7
81.07059	2.6
83.04989	1.0
83.08645	1.3
85.02912	7.2
85.03426	0.4
87.04483	0.5
89.04721	0.3
91.03963	3.6
91.05489	2.9
93.07041	2.0
95.04977	2.1
95.08636	1.2
97.02898	5.3
97.06568	0.7
101.02401	1.7
103.03972	0.5
105.07035	3.1
107.04942	0.7
107.08624	1.0
109.02898	1.1
109.06554	0.4
109.10168	0.4
111.08096	0.6
115.03959	0.3
115.05444	0.4
119.08593	2.3
119.46071	0.3
120.18957	0.3
121.10191	1.3
123.04456	0.4
123.08116	0.5
123.11825	0.4
123.38577	0.3
127.03934	1.5
129.07060	1.1
131.08571	1.4
133.10104	2.1
137.06003	0.4
139.03909	0.6
142.07893	0.3
147.04482	0.6
147.08040	0.5
147.11690	1.5
149.09633	1.8
154.56206	0.3
157.10173	1.2
161.09685	0.3
163.11249	0.4
165.09184	0.4
167.06975	0.6
175.11234	1.0
185.04253	0.5
193.12225	2.1
203.05318	0.7
211.13387	0.5
235.13286	0.3
243.08484	1.4
251.12483	0.9
259.08011	0.4
267.09265	0.4
267.16025	0.7
283.15231	3.0
285.17068	0.4
339.17859	0.9
347.09586	2.8
356.50482	0.3
365.10571	0.6
405.13699	5.3
405.18591	0.4
414.84735	0.3
469.20428	7.8
469.27039	0.5
501.23038	7.9
567.31848	0.7
631.25751	7.5
663.28339	7.9
729.36853	3.4
891.41980	100.0
892.41968	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	894.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.4
65.44824	0.6
67.05507	21.9
69.03433	3.5
69.07064	7.3
71.04973	1.3
71.08630	15.7
71.53880	0.7
71.54403	1.2
73.02901	2.9
73.13322	0.7
79.05493	12.7
81.03413	6.4
81.07059	19.8
83.04980	2.8
83.08621	11.0
85.02904	12.3
85.06529	1.2
85.10172	8.6
86.52934	0.7
89.05994	1.3
91.03980	7.0
91.05483	9.3
93.07041	12.0
95.04974	9.1
95.08604	14.4
97.02872	5.6
97.06543	2.3
97.10176	10.3
99.04443	0.9
105.07024	4.3
107.04980	4.0
107.08591	8.1
109.02889	1.0
109.06497	1.8
109.10162	9.2
111.08087	1.3
117.06995	5.6
119.08589	3.6
121.06489	3.1
121.10121	2.3
123.08083	1.3
123.11682	1.6
125.09615	6.2
127.03921	3.5
131.08563	5.8
133.10118	3.0
135.08052	2.8
135.11665	1.9
141.06975	1.4
143.08641	1.3
143.10670	0.9
145.04947	4.3
145.10097	2.4
147.11676	0.8
149.13272	1.4
153.09076	0.8
154.07693	0.7
159.11664	4.5
163.06029	3.3
169.10100	1.6
173.11723	0.9
177.12721	1.7
187.11200	2.0
189.11267	5.2
205.12268	4.1
223.13293	33.1
227.12785	4.8
229.14439	2.4
239.23526	1.2
254.13316	0.8
257.24808	1.4
273.88052	0.9
279.15878	3.7
297.16971	100.0
313.27365	61.7
467.37323	7.1
507.40503	1.8
517.39160	1.7
535.39941	60.5
536.40216	0.9
553.41223	3.6
558.95313	1.0
623.52783	0.9
628.97400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	10.4
67.79738	0.9
69.03425	1.7
69.07068	4.9
71.04985	1.0
71.08638	15.0
71.54401	1.2
73.02914	3.4
77.08244	0.9
79.05479	4.5
81.03413	2.5
81.07066	13.9
83.04993	1.8
83.08622	9.9
85.02903	8.4
85.10182	9.1
89.06001	1.1
91.03964	6.3
91.05486	9.9
93.07063	7.4
95.04972	2.2
95.08607	10.6
97.02894	6.5
97.06522	2.1
97.10168	3.8
99.00830	9.4
99.04458	1.1
103.05463	1.0
105.07008	7.8
107.04967	3.0
107.07973	0.9
107.08619	3.5
109.02893	5.5
109.06496	1.7
109.10163	6.7
111.08093	3.0
115.03961	2.2
119.08579	4.6
121.06532	5.6
123.04430	1.1
123.11725	3.5
127.03919	3.4
133.10132	22.0
135.11705	2.1
137.06003	1.2
137.09669	1.0
139.07561	2.4
143.08623	1.9
145.04933	2.3
147.11871	1.0
151.11218	7.9
161.09630	14.2
163.06042	3.8
171.08047	3.3
179.10706	6.9
184.07408	1.1
189.09119	6.0
197.11771	2.7
207.10179	3.2
225.11244	7.1
239.23799	2.1
243.12325	2.6
281.13785	4.7
299.14902	100.0
300.15277	1.3
313.27374	76.3
333.83807	1.0
472.39282	1.0
537.37872	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	898.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05179	1.2
67.05510	17.2
69.03411	2.8
69.07073	8.5
71.04995	2.2
71.08636	15.7
71.54173	0.9
73.02896	2.6
79.05495	12.1
81.03416	4.0
81.07060	17.7
82.04160	0.8
83.01322	0.7
83.04984	8.0
83.08619	11.1
85.02908	11.9
85.06537	1.8
85.10187	11.9
89.06028	1.0
91.03963	7.6
91.05489	9.8
91.18809	0.6
92.99465	0.7
93.07050	11.4
95.04971	7.9
95.08054	1.2
95.08614	17.6
97.02892	8.7
97.06535	4.6
97.10148	5.3
99.04449	2.3
99.08128	0.9
99.11752	0.8
103.07587	0.9
105.07063	4.0
107.04961	5.7
107.08598	9.4
109.02841	0.9
109.06525	1.5
109.10159	8.0
111.04441	8.1
111.08088	3.3
111.11671	1.1
113.06006	1.0
116.04716	1.9
117.07034	4.4
119.08597	5.5
121.06466	1.4
121.10147	5.1
123.04396	1.5
123.08097	1.6
123.11715	3.9
124.15725	0.7
125.06026	1.2
125.09627	2.7
127.03891	2.9
129.05486	5.2
129.06995	2.1
131.08594	3.7
133.10138	2.7
135.08022	1.2
135.11717	7.6
137.09605	1.4
137.13264	1.2
138.14439	0.7
143.07043	0.9
145.04958	3.4
145.06487	1.2
145.10139	9.4
147.08037	1.4
149.09624	2.8
155.08521	1.5
157.08594	2.1
157.10056	0.7
158.05579	0.8
163.06039	5.0
163.11206	10.0
165.16428	0.8
173.09651	4.5
181.12263	2.0
189.11293	1.0
191.10681	5.1
193.12157	1.0
199.13406	1.2
209.11726	17.8
227.12769	5.6
239.23679	2.5
255.15932	2.7
257.24704	0.9
265.14301	0.8
267.16040	1.6
283.15405	100.0
301.16452	21.5
313.27374	91.4
314.27701	1.6
367.28409	2.0
505.38745	1.7
521.38428	67.9
522.39050	1.3
539.39459	47.1
898.49170	1.1
913.44128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.7
67.05504	12.2
69.03429	3.9
69.07069	5.6
69.27931	2.4
70.04202	0.4
71.01339	0.6
71.04976	1.3
71.08634	12.5
73.02913	4.7
73.06529	0.3
75.04505	0.3
79.05492	8.3
79.35266	0.2
80.06261	0.7
81.03419	6.5
81.07057	13.1
82.04196	2.8
83.04987	5.2
83.05461	0.6
83.08619	8.0
84.02079	0.3
84.05715	0.3
85.02907	9.8
85.06519	0.7
85.10183	8.4
87.04445	0.7
89.06004	0.9
91.03420	0.4
91.03954	6.2
91.04902	0.3
91.05478	6.5
93.06483	0.3
93.07042	5.9
94.07777	0.4
95.04976	5.3
95.08604	12.6
96.04473	0.5
96.05740	0.5
97.02301	0.3
97.02893	6.1
97.06542	3.1
97.10175	8.5
98.06810	0.2
98.07312	3.1
99.04440	1.0
99.08054	0.6
101.06016	0.6
103.07561	0.4
104.42104	0.3
105.04492	0.3
105.07024	3.4
107.04955	2.3
107.08593	4.5
108.05736	0.3
109.02848	0.6
109.06483	0.9
109.09469	0.5
109.10155	6.8
110.07246	0.3
111.04418	0.7
111.08078	1.9
111.11707	0.7
113.06007	0.6
115.03898	0.5
116.04716	8.1
117.05463	0.4
117.07002	1.4
117.09088	0.3
119.08590	3.3
121.06439	0.8
121.10149	2.2
122.10863	0.3
123.08073	2.2
123.10901	0.3
123.11697	2.4
125.06023	0.3
125.08757	0.4
125.09626	7.3
125.13182	0.4
126.10396	0.4
127.03911	1.8
127.11155	0.7
129.05478	20.3
129.06862	1.4
130.07756	0.5
131.04999	0.2
131.08557	2.3
132.09355	0.3
133.10126	2.3
135.08041	1.3
135.11708	1.7
136.08786	0.6
137.09599	1.0
137.13246	0.7
143.07030	5.1
143.10658	0.6
145.04968	2.8
145.10156	1.4
147.08043	0.6
147.11717	1.9
149.09598	1.2
151.07521	0.3
151.11128	0.4
151.14812	0.5
153.09099	1.0
153.12743	0.6
157.08618	9.8
157.10054	1.5
158.05713	1.0
159.06476	0.3
163.06020	2.8
163.07301	0.4
163.11215	1.4
164.11914	0.6
165.12741	0.7
171.06540	1.6
171.07780	0.3
171.10149	3.9
173.09634	0.5
173.11737	0.5
175.11172	1.4
181.12169	0.8
185.08086	0.7
185.11713	1.1
189.11208	5.3
191.10672	0.4
192.11493	0.3
193.12248	2.0
199.09599	0.4
199.13269	2.8
200.14145	2.1
209.11725	1.9
210.12450	0.9
211.13313	0.9
213.11201	0.6
217.14304	0.4
227.12781	8.8
229.14307	1.1
239.23677	2.1
255.15918	1.5
257.24805	1.5
267.15921	3.8
269.17300	0.4
283.15436	3.9
284.16061	0.6
301.16455	100.0
302.16776	1.2
311.22150	1.1
313.27359	64.4
314.27582	0.5
325.23651	0.4
331.28464	0.3
367.28400	3.6
381.29962	0.4
395.31693	1.3
409.33282	0.3
437.36404	0.7
438.37079	1.2
455.37613	0.5
467.37305	1.5
505.38895	4.4
521.38354	3.5
522.39368	1.7
523.39655	0.8
539.39429	69.2
540.39484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08498	0.5
71.52724	0.8
77.15376	0.5
80.19786	0.5
82.96381	0.5
82.99863	1.4
87.81396	0.5
94.99842	0.7
101.00874	6.1
109.01384	0.7
113.00852	1.2
119.01927	7.8
127.02397	1.5
131.01926	4.1
134.77405	0.6
139.02377	1.0
143.01897	17.3
145.03481	9.4
153.03976	2.0
155.01906	9.7
157.03479	3.2
159.05025	0.8
161.02963	11.5
163.04494	0.7
167.01910	8.4
169.03479	22.4
171.03885	0.6
171.05061	6.7
173.02974	10.7
179.01892	4.7
181.03499	2.9
182.18611	0.6
183.05042	0.9
185.02974	29.6
187.04530	15.2
189.06026	0.6
192.00845	0.5
197.02954	18.2
199.04509	1.8
203.03998	7.0
209.02951	1.7
211.04500	2.5
213.02443	2.1
215.04025	17.1
221.03046	0.7
221.05098	1.1
227.04042	9.2
229.05673	0.9
231.03511	1.1
233.05040	0.8
239.04028	1.6
241.05536	0.8
245.05084	100.0
246.05264	2.3
257.05051	5.2
263.06152	13.4
271.06613	1.4
275.03027	2.4
275.06125	69.5
276.06592	0.8
287.02939	1.0
287.06055	5.5
293.03958	1.0
293.07147	6.6
299.06100	1.1
305.07181	17.7
306.07404	0.5
316.08719	0.6
317.07254	2.6
323.08270	0.7
335.04742	0.6
335.08224	13.2
347.08218	0.8
365.09302	27.1
377.05170	0.8
377.09769	2.9
383.10425	2.0
395.06268	1.5
395.11160	2.6
425.11429	33.5
437.11465	1.9
455.12540	7.5
485.13666	6.0
527.14996	2.4
539.14435	1.9
545.15588	2.3
557.16125	27.1
707.20770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64091	0.6
67.05180	0.8
67.05508	11.3
69.03416	1.6
69.07066	7.3
69.40061	2.1
69.40486	3.1
71.04977	1.4
71.08633	18.5
73.02921	1.7
73.23611	0.6
73.58201	0.6
79.05486	8.0
81.03419	52.0
81.06599	1.0
81.07058	17.0
82.03732	0.7
83.04982	3.4
83.08154	1.2
83.08620	17.0
85.02502	0.6
85.02898	6.3
85.06557	0.8
85.10187	11.2
89.06023	1.4
91.03969	3.6
91.05476	10.6
93.07061	5.7
95.04378	0.8
95.04971	16.1
95.08605	16.7
97.02888	4.4
97.06512	1.9
97.10163	4.8
99.04399	0.8
99.08052	0.8
99.11693	0.8
103.07555	1.2
105.07031	8.5
107.04934	3.0
107.08574	3.2
107.61518	0.6
109.02852	1.1
109.06497	1.6
109.10155	8.9
111.04414	1.8
111.08093	4.4
111.11722	0.8
115.05433	1.3
117.06986	1.5
119.08569	10.2
121.06485	2.0
121.10135	4.6
123.04446	1.6
123.08040	1.0
123.11691	2.8
123.69799	0.7
125.09609	1.2
127.03905	1.2
129.06987	5.7
131.08566	5.7
133.06474	2.0
133.10107	2.8
136.25491	0.7
137.09622	1.1
137.13254	0.8
138.76717	0.6
142.07761	1.8
145.04961	2.1
145.10117	1.6
147.08070	1.6
147.11684	5.8
149.09601	4.1
157.10152	6.3
163.06023	4.4
163.11168	2.0
165.12717	1.6
175.11200	6.6
193.12253	23.5
205.12184	1.0
207.13828	0.6
211.13274	1.4
223.10999	0.8
235.13289	2.0
239.23669	1.9
249.14861	1.9
257.24814	1.6
259.13275	1.4
267.15921	100.0
269.12244	1.1
273.14740	0.9
283.15424	1.5
301.13977	1.4
309.16998	2.9
313.27365	96.1
314.27762	2.6
315.28046	0.8
316.12628	0.7
393.19061	0.9
505.38889	81.6
506.39081	1.2
523.39813	2.8
547.39923	7.9
601.40662	3.0
613.41284	1.3
631.41998	2.7
649.43066	0.9
659.30219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
69.03431	1.4
69.07066	0.2
71.08629	0.3
73.02902	1.1
74.36079	0.2
79.05486	0.3
81.03426	1.2
81.07048	0.7
83.08604	0.5
85.02435	0.2
85.02909	2.6
85.10165	0.3
91.03954	1.4
91.05466	0.5
93.07034	0.2
94.07290	0.2
95.04952	0.3
95.08610	0.8
96.39781	0.2
97.02882	2.2
99.04445	0.2
101.02371	0.8
103.03945	0.3
105.07022	0.3
109.02876	0.5
109.10152	0.5
119.08592	0.3
119.58227	0.2
121.10082	0.2
127.03889	0.7
131.08586	0.2
133.10114	0.3
153.27272	0.2
175.11290	0.2
185.04227	0.4
193.12175	0.3
243.08545	0.9
243.32008	0.2
347.09457	1.3
365.10486	0.7
405.13635	2.0
449.64093	0.2
469.20474	3.3
507.16248	0.2
507.98102	0.2
511.32617	1.8
631.25745	3.5
645.20935	0.4
673.37762	1.8
719.01208	0.3
739.46338	1.0
901.46344	100.0
902.46222	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	902.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.0
67.05176	2.5
67.05515	41.4
68.14266	1.5
69.03426	9.1
69.07088	11.0
69.89920	6.7
71.04993	4.8
73.02918	6.1
79.05069	2.6
79.05504	37.4
81.03429	98.6
81.07067	29.0
82.04189	4.9
83.04987	20.8
83.08631	26.4
85.02911	11.7
85.06555	4.0
89.88423	1.6
91.03967	5.4
91.05494	32.5
93.07053	28.0
94.07840	1.9
95.04981	40.3
95.08624	15.7
97.02899	12.4
97.06532	7.8
97.10186	17.4
98.07327	5.1
99.04466	2.0
99.08109	2.9
105.06419	1.7
105.07053	22.9
107.04965	20.3
107.08609	22.8
109.06518	6.5
109.10163	17.0
111.04447	9.8
111.08099	14.7
113.05996	2.9
115.05479	2.9
116.04737	11.6
117.05523	3.1
117.07046	8.4
119.04952	2.6
119.08598	21.8
121.02876	7.1
121.06493	7.4
121.10157	14.0
123.04464	4.6
123.08098	6.7
123.11715	2.1
125.09645	20.4
127.03914	2.0
129.05495	29.8
129.07008	12.4
131.04964	2.3
131.08583	17.6
133.06506	4.8
133.10162	13.0
135.04401	5.7
135.08080	7.2
135.11705	15.5
137.06007	3.3
137.09616	3.8
139.03944	2.1
141.07002	2.0
142.07767	3.8
143.07043	7.9
143.08601	1.5
143.10699	2.0
145.04996	2.2
145.06523	2.3
145.10201	7.0
147.04469	4.4
147.08086	5.5
147.11693	12.9
149.09679	9.7
150.93738	1.5
153.09167	2.7
153.12766	21.6
157.06487	2.0
157.08640	10.5
157.10147	13.8
158.05836	1.5
159.08076	1.5
159.11729	1.5
161.09671	2.5
163.05981	2.3
163.11214	21.4
165.12756	3.0
166.87994	1.5
171.10181	5.6
171.11549	1.9
173.09721	4.5
173.11855	6.8
173.13145	2.6
175.11220	16.0
181.12247	19.4
183.11670	2.7
189.05334	1.6
189.11241	18.6
191.10675	11.2
193.12277	39.7
199.13307	2.8
200.14113	3.1
201.12920	3.3
201.14806	3.4
209.11798	9.6
211.13277	9.2
219.13838	6.5
227.12808	54.2
229.14337	18.6
231.13747	2.8
235.13376	2.5
247.13339	39.2
249.14905	5.7
255.15979	2.0
259.13229	3.4
265.14282	3.3
267.15955	100.0
268.16483	1.9
273.15036	1.8
283.15460	30.7
285.17059	4.6
301.16486	37.1
321.16873	12.3
339.17996	4.4
349.20407	1.9
355.22815	1.8
383.22141	3.0
401.23337	4.2
439.26889	1.6
447.27576	2.1
452.12711	1.5
457.25937	4.2
459.27359	3.5
475.26965	28.4
476.27740	4.4
493.27982	41.6
525.30457	5.3
619.30951	2.0
896.51025	1.7
902.45496	4.7
936.11951	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	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	1.8
67.05508	44.0
69.03436	4.0
69.07071	11.0
70.69315	1.7
71.01342	1.3
71.05005	3.4
71.08599	0.9
73.02924	4.7
74.65804	0.6
77.03878	0.7
79.05495	37.1
81.03420	11.5
81.07059	50.8
83.01339	6.9
83.04984	9.1
83.08622	13.6
85.02910	19.6
85.06542	2.7
88.03387	0.5
91.03419	0.6
91.03960	12.8
91.05485	24.6
93.07047	48.1
95.04466	0.5
95.04975	6.6
95.08609	34.5
96.04446	0.8
97.02890	9.5
97.06534	3.9
97.10175	5.1
99.04453	2.7
99.08071	1.1
101.06049	0.6
103.05442	1.2
105.04474	1.4
105.07037	16.5
107.04964	6.3
107.08598	30.0
109.02846	1.1
109.06535	6.6
109.10157	15.9
109.11273	0.7
111.04412	2.1
111.08070	2.1
111.11651	0.7
115.03875	0.6
115.05458	1.0
117.07016	10.6
119.08583	15.8
121.06514	2.8
121.10149	23.4
123.04568	0.6
123.08064	7.6
123.11703	6.1
125.05981	1.3
125.09649	2.7
127.03901	3.6
129.06970	2.1
130.07767	1.1
131.08582	10.5
133.10139	9.1
135.08038	2.4
135.11694	20.5
137.09592	1.5
137.13217	1.9
139.11180	0.8
143.08553	1.3
144.06543	0.7
145.04933	4.8
145.06470	0.8
145.10124	19.9
147.08073	1.4
147.11697	7.0
149.09612	1.4
149.13260	6.2
151.11195	0.7
151.14801	0.6
153.09074	0.7
153.12727	2.5
155.08530	1.9
157.10097	2.3
159.11681	6.1
161.13264	4.5
163.06046	5.8
163.11188	20.3
163.14902	3.3
165.12718	0.9
171.10205	0.7
171.11655	1.2
173.09656	3.0
173.11913	0.7
173.13261	5.1
175.14796	1.4
177.16412	0.9
179.14194	0.6
181.12253	3.9
185.13252	1.2
187.14778	2.7
188.46568	0.6
189.11169	2.6
191.10655	3.0
193.12244	2.1
197.13158	0.7
199.14838	1.2
201.16524	1.2
209.11699	6.5
209.13583	0.8
211.13304	1.3
219.17499	0.6
223.64896	0.5
227.12787	9.5
241.19604	1.2
243.21114	5.6
259.20633	1.8
261.22159	19.1
267.15921	3.3
268.16382	0.7
275.19580	0.6
277.21619	0.9
283.15405	92.5
284.15781	0.8
285.16943	1.0
299.23709	6.1
313.27292	2.0
314.27573	1.2
315.23312	0.7
317.24792	4.6
331.22769	0.6
333.24194	2.6
335.25812	87.4
336.26169	0.7
358.00980	0.6
405.31378	0.7
415.30060	0.7
431.19244	0.8
433.31177	2.5
444.73135	0.6
451.32031	4.8
469.33044	3.4
487.34122	1.6
506.39734	1.2
515.37402	1.6
517.35504	0.8
525.35730	8.8
543.36841	100.0
544.37274	2.0
561.37823	8.6
568.54230	0.7
634.00391	0.6
842.16486	0.7
880.06659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.5
67.05505	34.1
67.05841	1.1
69.03400	1.8
69.07069	9.5
71.04964	1.9
71.08572	0.7
71.54684	0.8
73.02899	1.5
73.42294	0.5
74.59596	0.6
79.05492	30.5
80.45116	0.6
81.03422	3.1
81.07057	34.7
83.01282	1.0
83.04987	3.6
83.08621	8.5
85.02905	4.7
85.06471	0.9
91.03896	2.1
91.05478	13.9
93.07041	41.5
95.04972	5.2
95.08604	38.6
97.02895	4.1
97.06525	3.4
97.10133	1.9
99.04430	3.2
103.05397	0.8
103.82784	0.6
105.07027	9.7
107.04965	5.7
107.08592	25.6
109.06481	2.4
109.09464	0.8
109.10149	11.1
111.04398	1.8
111.08056	1.4
117.06339	0.7
117.07013	8.0
119.07825	0.7
119.08584	11.5
121.06538	4.5
121.09347	1.2
121.10147	18.0
123.08030	1.6
123.11686	2.9
125.05980	1.7
129.06920	0.8
130.07790	0.8
131.08580	4.9
133.10126	6.5
135.08037	1.3
135.11685	37.1
139.02750	0.6
139.07558	1.3
143.08563	1.0
145.04886	1.0
145.10121	20.7
147.11636	2.7
149.09593	1.0
149.13228	2.6
155.08612	0.8
159.11734	3.0
161.13216	2.0
163.05902	0.7
163.11177	44.8
173.09502	1.0
173.13246	1.7
175.14789	1.3
177.16379	0.9
181.12221	7.2
187.14842	1.1
204.11227	0.7
209.11743	1.4
227.12781	44.2
243.21091	2.9
261.22174	7.3
277.21661	0.7
283.15396	57.9
317.24683	2.9
335.25793	99.1
336.26132	1.6
428.65048	0.6
543.36816	100.0
544.37439	1.7
561.37970	1.7
684.92017	0.8
859.29364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
67.05511	34.4
67.05858	1.1
69.03436	2.9
69.07074	9.4
69.25932	1.2
69.26361	2.2
71.01317	1.3
71.04996	3.2
71.08598	0.4
73.02924	4.6
77.03918	0.6
79.05499	30.5
81.03426	11.2
81.07064	41.3
83.00907	0.6
83.01344	7.7
83.04993	8.8
83.08626	11.9
84.05209	0.4
85.02911	18.3
85.06555	2.0
91.03967	10.2
91.05488	21.0
93.07053	38.9
95.04467	0.5
95.04978	6.8
95.08615	28.8
97.02898	10.9
97.06535	4.2
97.09653	0.4
97.10172	4.9
99.04451	3.3
99.08065	1.2
103.05406	0.5
105.04486	0.7
105.06299	0.5
105.07038	15.4
107.04965	6.2
107.08606	24.2
109.02882	1.0
109.06531	4.8
109.10162	12.4
111.04429	1.9
111.08090	3.0
111.11667	0.4
113.00708	0.5
115.03910	0.6
115.05430	0.6
117.07027	10.2
119.08595	14.0
119.38888	0.4
121.06506	2.8
121.10152	18.5
123.04375	0.4
123.08084	7.5
123.11720	3.9
125.05927	1.1
125.09649	3.6
127.03925	4.5
128.06151	0.5
129.07024	2.3
130.07753	1.4
131.04865	0.7
131.08580	9.8
133.10127	9.5
135.08102	2.4
135.11710	17.3
137.09639	2.1
137.13222	1.3
139.11185	0.7
143.08571	1.9
145.04932	5.3
145.06477	0.8
145.10141	18.6
147.08125	2.1
147.11685	4.5
149.09593	1.7
149.13286	5.4
151.11174	0.7
153.12794	2.8
155.08612	1.9
157.10089	1.4
159.11708	5.2
161.13266	3.3
163.06035	6.8
163.11192	21.9
163.14809	2.9
165.12697	0.4
169.10094	0.8
171.11697	1.3
173.09698	2.8
173.11908	0.7
173.13268	5.8
175.11227	0.4
175.14856	2.0
177.16377	0.8
180.08632	0.9
181.12268	3.5
183.11603	0.7
185.13284	0.8
187.14841	2.8
189.11230	2.9
191.10657	2.1
193.12317	1.9
197.13316	0.6
199.14786	0.9
199.31792	0.4
201.16396	1.2
205.15826	0.5
209.11755	6.8
211.13258	2.2
215.17953	0.7
227.12796	11.7
233.22653	0.9
241.19537	0.8
243.15884	0.6
243.21117	4.5
245.13802	0.5
259.20624	1.9
261.22162	16.4
267.15973	2.1
273.22260	0.7
277.21625	0.7
279.23260	0.5
283.15421	100.0
284.15628	1.0
285.17010	1.2
297.22043	0.6
299.23679	5.3
313.27353	0.8
314.27692	0.4
315.23300	0.5
317.24805	4.3
333.24298	2.5
335.25830	69.2
336.26331	0.7
355.26566	0.5
357.24387	0.6
415.30035	0.8
421.25909	0.6
423.32605	1.1
433.31003	2.5
451.32104	4.0
469.33090	3.3
471.32596	0.5
485.98624	0.5
487.34277	1.3
488.55011	0.4
507.39719	0.7
515.37268	1.8
519.73358	0.5
525.35754	7.4
543.36865	65.8
544.37256	1.2
561.38007	7.7
685.11560	0.5
902.48810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2562
Annotation	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
63.02362	0.1
65.03928	0.6
68.99786	0.1
69.03436	4.7
69.43642	0.5
71.01362	0.1
71.04998	9.8
73.02914	0.3
75.04476	0.4
81.03423	0.3
83.04994	1.0
85.02909	13.0
87.04471	0.4
91.05486	4.5
95.04977	0.1
97.02898	1.3
99.04464	0.3
105.07014	0.1
107.04958	0.4
109.02861	0.5
111.00795	0.2
111.04436	0.5
119.04950	13.7
121.02878	0.8
127.03925	2.6
129.05492	3.5
131.04936	0.2
139.03932	0.1
145.04982	0.5
145.06468	0.2
147.04419	100.0
148.04771	0.5
153.01816	0.8
153.72156	0.1
157.06496	0.2
161.05981	0.1
165.01842	0.4
165.05489	3.6
165.06898	0.2
183.02966	0.2
185.05966	0.3
187.07568	0.1
189.05566	0.1
201.05446	0.2
201.40440	0.1
203.07007	0.1
213.05470	0.5
213.09195	0.1
215.07106	0.1
229.04732	0.1
231.06596	0.5
241.04985	0.2
258.05261	0.2
273.07434	0.2
275.09207	0.4
280.18323	0.1
287.05515	28.0
288.05893	0.2
291.08633	4.4
293.10226	1.0
309.09702	15.7
413.36285	0.1
455.15674	0.3
514.33685	0.1
916.81042	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	903.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92312	0.3
67.05518	1.3
69.03413	1.8
69.07080	0.4
69.25098	3.0
71.01363	0.4
71.04994	0.4
71.08635	1.1
71.73042	0.3
73.02919	3.1
79.05486	0.7
81.03441	1.1
81.07062	1.3
83.01125	0.9
83.08631	0.8
85.02904	4.5
85.10188	0.6
91.03963	3.2
91.05503	0.4
93.07061	0.7
95.01082	0.8
95.08628	1.0
97.02912	3.1
97.10207	0.4
99.04456	0.8
101.02364	1.5
105.07058	0.3
106.93871	0.3
107.08619	0.4
109.02905	0.7
109.10162	0.6
115.03976	0.5
117.05510	0.5
123.04224	0.4
123.11671	0.5
125.02122	0.9
127.03883	1.6
129.05533	0.8
139.03702	0.4
141.05176	0.7
145.05028	0.3
157.04776	1.1
169.04784	1.0
176.58952	0.3
185.04230	3.1
199.05876	0.6
201.03731	3.1
203.05400	1.8
203.07054	0.4
227.05240	0.8
243.08536	1.0
257.06485	1.8
259.07974	1.0
263.39685	0.3
273.05878	0.4
299.07388	0.6
301.08945	3.8
313.27554	1.0
315.10535	1.1
319.09970	2.1
327.10703	0.6
329.08646	1.4
335.25739	0.6
346.08820	1.0
347.09485	11.4
359.09592	0.9
361.11252	0.9
363.09003	5.4
363.13187	0.5
365.10669	1.0
373.11288	0.4
383.16663	0.7
385.18539	1.3
389.10965	0.4
403.12433	0.6
405.13611	3.5
421.12982	0.5
423.27505	0.4
462.22870	0.3
463.14206	11.2
467.18991	0.5
477.15826	2.8
489.16116	0.6
491.18558	0.5
497.30957	3.9
503.17508	1.1
505.19330	0.4
517.18512	0.6
519.20984	0.8
533.22522	0.4
535.16315	3.9
539.32245	0.7
541.04193	0.3
543.39764	0.5
544.39404	0.4
545.21936	1.7
547.23633	6.4
549.18262	0.8
555.31482	2.4
557.33337	1.2
563.19971	0.4
569.33246	1.1
577.21338	1.4
585.32355	1.7
591.23022	0.9
605.24432	1.2
619.25842	1.1
623.42450	0.4
633.27362	1.2
639.41486	1.0
647.26837	0.4
659.36090	12.5
661.29956	0.8
669.42010	0.6
675.34540	1.2
689.33832	0.9
701.37292	0.6
717.37238	0.4
731.38074	6.7
745.39935	1.2
759.41144	1.9
773.42346	1.0
787.42401	0.9
801.46075	3.9
815.47760	0.6
827.47247	0.4
841.50055	0.4
843.46484	0.8
857.49689	0.7
885.47943	2.5
886.47980	0.8
903.49176	100.0
904.49817	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	904.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40414	0.2
65.03932	2.2
67.05503	37.1
69.03426	3.8
69.07063	9.9
71.01326	0.5
71.04983	4.4
73.02910	3.2
79.05136	0.6
79.05489	30.4
81.03415	41.1
81.07053	40.9
83.04980	10.6
83.08080	0.3
83.08183	0.2
83.08614	17.1
85.02900	26.7
85.06548	2.2
87.04465	0.4
91.03954	6.6
91.05477	28.3
93.07039	31.4
95.04469	0.2
95.04966	17.6
95.08602	25.2
97.02888	8.1
97.06527	3.5
97.10155	3.3
99.04455	0.8
99.08088	1.5
101.06017	0.5
102.83997	0.3
103.05489	0.6
105.04557	0.6
105.07027	20.0
107.04950	4.4
107.08588	15.4
109.02864	0.6
109.06521	3.5
109.10153	9.4
111.04463	1.8
111.08076	6.3
111.09220	0.3
113.06015	1.6
113.09638	0.5
115.03924	0.6
115.05473	0.8
116.06200	0.3
117.07008	3.9
118.94202	0.3
119.08578	17.5
121.06516	1.1
121.10139	14.7
123.08068	2.5
123.11707	4.0
125.05995	0.5
125.09654	1.5
127.03902	2.8
127.07572	0.6
128.06241	0.5
129.05530	0.4
129.07002	8.0
131.08563	12.8
133.06482	2.1
133.10127	11.8
135.08058	0.5
135.11694	6.5
137.09645	1.9
137.13261	1.1
137.85204	0.3
142.07771	2.0
143.08525	1.0
145.04938	2.5
145.10120	5.7
147.08055	2.2
147.11681	13.4
149.09604	4.6
149.13263	3.8
151.11195	1.0
157.10127	9.9
159.11699	3.0
161.13258	2.2
163.06007	4.1
163.11223	1.1
163.14804	1.8
165.12737	2.6
169.10168	0.4
171.11743	0.6
173.13257	2.9
175.11176	10.6
175.14862	1.0
177.12779	0.6
177.16403	0.8
183.11649	0.4
185.13300	0.3
187.14857	1.2
189.11188	0.4
193.12228	31.6
201.16405	0.6
211.13280	54.4
212.13666	0.4
227.12766	1.6
229.14395	0.6
233.22565	0.3
243.21115	2.4
249.14874	0.4
261.22113	8.8
267.15915	13.6
269.17480	0.5
273.22156	0.3
279.23227	0.5
283.15530	0.7
285.16946	67.1
286.17282	0.6
299.23764	0.5
301.22095	0.3
301.25360	0.8
303.22961	0.5
317.24695	2.0
333.24146	0.4
335.25784	59.0
336.26306	0.8
417.31543	0.8
435.32547	2.2
453.33713	2.2
471.34717	1.2
473.33191	0.4
509.36319	1.0
517.38855	0.6
527.37341	14.3
545.38342	100.0
546.38568	1.8
563.39392	1.0
689.42267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.0
67.05504	34.7
69.03065	0.3
69.03431	3.5
69.07066	9.3
70.10393	0.6
71.04988	3.0
71.08635	0.3
73.02914	2.2
73.06580	0.3
74.82971	0.2
77.03941	0.6
79.05492	27.8
80.05842	0.2
81.03417	32.4
81.07056	37.0
83.04981	8.3
83.08617	14.1
85.02904	19.8
85.06520	1.3
87.04474	0.5
91.03955	5.5
91.05480	24.5
92.05804	0.3
93.03407	0.2
93.07042	30.5
95.04970	13.3
95.08605	25.9
96.04507	0.3
97.02888	6.1
97.06525	3.2
97.10168	3.3
99.04455	0.7
99.08075	1.2
100.31386	0.2
103.05486	0.5
105.03418	0.2
105.04532	0.9
105.07029	17.3
107.04955	3.4
107.08594	15.1
109.02895	0.5
109.06512	3.3
109.10155	10.0
111.04458	1.4
111.08078	5.7
111.11694	0.3
113.05994	1.3
115.03951	0.2
115.05442	1.0
116.06223	0.3
117.07014	3.8
119.04932	0.3
119.08581	15.5
121.06511	1.0
121.10141	14.7
123.08053	2.1
123.11713	3.5
125.06056	0.3
125.09645	1.4
127.03924	1.8
127.07573	0.4
128.03865	0.2
128.06203	0.4
129.05540	0.3
129.07007	5.5
129.07907	0.4
130.07796	0.3
131.08569	9.9
133.06493	1.5
133.10127	9.8
135.08070	0.6
135.11690	6.5
137.09602	1.2
137.13283	1.0
139.11165	0.4
141.07007	0.3
142.07764	1.7
143.08556	0.7
145.04955	2.1
145.10117	4.9
147.08047	1.4
147.11685	10.4
149.09631	3.6
149.13258	3.6
151.11217	0.5
153.12708	0.4
155.08572	0.7
157.10121	7.7
159.11688	2.9
161.09734	0.2
161.13269	2.4
163.06018	2.5
163.11214	0.9
163.14844	1.4
165.12749	2.2
169.10135	0.5
171.11725	0.6
173.09563	0.2
173.13246	2.7
175.11185	7.8
175.14706	1.0
177.12753	0.4
177.16435	0.5
181.12160	0.2
183.11665	0.4
185.13292	0.6
187.11192	0.2
187.13409	0.3
187.14825	1.3
189.11166	0.6
189.16490	0.3
193.12244	23.2
199.13258	0.2
199.14876	0.4
201.16370	0.6
211.13287	30.3
212.13756	0.3
219.17427	0.2
227.12756	0.8
229.14369	0.5
243.15797	0.2
243.21049	2.6
249.14938	0.4
259.20706	0.4
261.22137	8.8
267.15897	9.4
269.17468	0.4
275.20145	0.3
279.23203	0.4
283.15527	0.5
285.16956	41.5
286.17120	0.4
291.19473	0.3
294.15622	0.2
299.23746	0.4
301.25250	0.7
303.23486	0.3
317.24695	1.9
327.23157	0.2
327.70734	0.2
333.24307	0.3
335.25790	61.2
336.26178	0.8
337.27054	0.2
359.25830	0.3
408.51694	0.2
417.31763	0.4
429.21188	0.2
433.29401	0.2
435.27304	0.3
435.32550	1.6
453.33698	1.9
471.34540	0.9
473.32980	0.4
501.36093	0.3
509.36755	0.5
527.37366	12.5
528.37842	0.5
545.38361	100.0
546.38782	2.3
563.39307	0.6
689.42426	0.7
927.18237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2557
Annotation	Upunaphenol I
Peak:m/z	Relative Intensity
65.03928	0.1
68.99805	0.4
69.03430	6.7
69.68070	0.6
71.01347	0.9
71.04597	0.2
71.04996	4.4
73.02919	9.1
75.04483	0.7
81.03413	0.9
82.43001	0.1
83.04983	1.6
85.02906	15.0
86.60651	0.1
87.04476	0.9
90.99851	0.1
91.03976	0.2
93.03413	0.1
95.04975	0.3
97.02893	5.5
98.97565	0.1
99.04451	0.5
103.03944	3.0
109.02892	1.0
111.00821	0.5
111.04443	1.2
112.11346	0.1
113.02364	0.3
113.06028	0.4
115.03163	0.2
115.03938	3.7
121.02859	0.8
123.04434	0.2
127.03922	1.8
129.05484	4.3
131.03409	0.2
131.07043	0.1
133.04988	1.1
135.04469	0.2
137.02335	2.3
137.03401	0.2
137.05937	0.2
139.03944	0.1
145.04956	2.1
145.06136	0.1
147.06531	2.4
149.02396	0.4
149.04454	4.3
151.03993	0.2
153.01828	2.7
161.06020	0.3
163.03915	0.5
163.05981	0.8
165.01836	1.5
165.07605	0.1
166.02621	0.3
169.04944	0.8
173.06065	0.2
175.06079	0.5
177.05539	0.1
183.02901	0.7
183.10439	0.1
187.04022	0.2
199.06218	0.1
201.05507	1.0
205.04903	0.2
213.05357	0.1
219.06538	0.1
225.07536	0.8
229.04984	3.1
229.07259	0.2
237.07591	0.2
243.08658	0.4
246.05219	0.1
247.06029	0.6
255.08728	0.4
257.04456	2.3
257.07062	0.2
259.08176	0.1
261.09586	0.1
273.09686	0.4
274.04727	0.6
275.05515	0.2
279.10764	0.4
285.03928	1.0
291.10654	0.1
295.10199	0.2
303.04993	100.0
304.05319	0.8
307.31522	0.2
309.11856	0.7
315.04910	0.2
325.11362	0.1
345.06055	0.4
369.06406	0.1
369.25189	0.1
447.09390	0.2
449.10617	0.2
465.10104	1.1
597.42279	0.1
902.44531	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	906.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.6
67.05508	12.6
69.03398	1.4
69.07072	14.6
71.01348	0.9
71.04984	2.2
71.08627	2.9
71.53912	0.6
73.02917	2.9
79.05497	10.2
81.03423	6.0
81.07063	17.7
83.01329	5.1
83.04987	5.8
83.08623	14.2
85.02444	0.7
85.02908	11.1
85.06515	0.9
85.10166	1.5
87.04443	0.6
91.03954	7.2
91.05480	5.7
93.07047	14.6
95.04973	3.5
95.08611	13.6
96.04502	0.6
97.02895	6.5
97.06548	3.3
97.10174	7.7
99.04432	1.8
99.54205	0.5
105.07024	4.0
107.04955	4.0
107.08595	9.1
109.02888	0.7
109.06539	3.6
109.10155	6.2
111.04424	1.4
111.08092	1.4
111.11729	2.2
115.03896	0.6
117.07009	3.6
119.08584	5.1
121.06486	1.6
121.10152	8.6
123.08065	5.1
123.11687	1.3
124.87685	0.5
125.05990	0.8
125.09604	1.3
127.03940	2.1
130.07767	1.4
131.08536	1.8
133.10091	1.3
135.07982	0.9
135.10707	0.7
135.11697	10.5
137.09613	1.0
137.13248	0.6
145.04953	3.2
145.09047	0.6
145.10126	8.1
147.08047	1.2
149.13243	2.2
153.12759	1.4
155.08496	0.9
163.05972	2.9
163.11191	16.4
163.14876	0.8
173.09601	2.0
181.12207	2.1
191.10687	1.2
209.11740	3.8
227.12749	2.6
247.24278	0.8
265.25259	1.1
276.64606	0.5
283.15408	100.0
284.15631	0.8
339.28949	67.8
340.29456	0.8
529.38983	0.8
547.39966	54.1
548.40253	0.9
565.41235	1.0
812.47571	0.5
906.47375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54282	0.8
65.03950	1.1
66.71848	0.8
67.05183	1.3
67.05514	18.1
69.03439	2.2
69.07076	21.0
71.04984	3.9
71.08623	3.6
73.02923	3.1
79.05068	1.2
79.05505	16.8
81.03432	6.4
81.07063	22.4
83.00909	0.7
83.01344	5.2
83.04626	0.7
83.04995	7.0
83.08142	1.6
83.08626	21.9
85.02913	13.7
85.06543	1.2
85.10204	1.3
91.03956	8.7
91.05482	8.3
93.06479	1.3
93.07055	21.3
95.05001	4.0
95.08619	18.9
97.02897	6.4
97.06527	4.9
97.10184	8.8
99.04482	1.5
105.07041	5.4
107.04979	4.5
107.08608	9.7
109.06517	3.1
109.10147	7.3
111.04456	1.7
111.08072	2.3
111.11735	3.9
117.06999	4.2
119.08572	4.6
121.06494	1.9
121.10156	13.0
123.08075	4.4
123.11719	2.4
125.09597	1.5
127.03922	2.5
127.12126	0.9
131.08568	2.1
133.10155	1.6
135.08069	1.8
135.11720	13.9
137.09622	1.5
145.04961	2.5
145.10147	10.3
149.13295	2.5
153.12781	2.1
155.08606	0.8
163.06053	3.6
163.11198	15.9
164.82486	0.8
173.09619	2.4
181.12228	1.9
191.10791	1.9
191.17679	0.7
209.11765	3.7
227.12830	2.6
247.24164	1.4
265.25201	2.1
283.15430	88.0
333.24969	0.8
339.28979	87.9
340.29172	1.2
529.38586	0.9
547.40015	100.0
548.40289	2.2
565.40588	1.7
762.53064	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03881	1.8
67.05445	31.8
67.05837	2.2
68.05800	0.7
69.03422	3.9
69.07074	12.0
70.46716	0.9
70.47086	0.9
71.01307	1.0
71.04934	3.1
73.02921	3.6
79.05496	17.9
79.05914	0.6
81.03423	33.3
81.03854	1.6
81.07063	34.3
83.04988	7.7
83.08624	17.2
83.09092	0.7
85.02910	21.6
85.03377	0.7
85.06484	1.6
91.03966	6.7
91.05488	20.3
91.06022	0.7
93.07051	14.7
95.04977	12.9
95.08614	21.1
95.09169	0.8
97.02901	7.7
97.06531	2.4
97.10180	5.3
99.04413	1.0
99.08051	0.9
101.02280	0.6
103.03863	0.6
105.07040	12.3
107.04957	3.7
107.08595	8.3
109.02780	0.9
109.06534	2.9
109.10165	10.4
111.04434	0.9
111.08096	6.8
111.08794	1.0
111.11691	0.7
113.05952	1.5
115.05356	0.6
117.06994	1.0
119.08592	12.3
121.06444	1.0
121.10153	8.5
123.07977	1.6
123.11716	3.5
125.09568	1.2
127.03915	2.8
129.07013	5.8
131.08577	7.4
133.06474	1.1
133.10144	8.4
135.11719	2.4
137.09557	1.6
137.13177	1.3
142.07719	1.5
145.04979	2.1
145.10025	1.4
147.03017	0.4
147.08008	1.6
147.11685	9.1
147.86047	0.4
149.09634	4.2
149.13179	1.2
151.11118	0.5
151.14748	0.7
157.08969	0.6
157.10138	8.1
159.11595	0.5
161.13190	1.7
163.06061	2.8
163.11130	0.8
163.14758	0.6
165.12682	2.0
175.09773	0.8
175.11208	8.5
175.14742	0.8
189.16423	0.5
193.12263	23.3
207.37254	0.5
211.13306	42.5
212.13588	0.5
214.07874	0.4
227.12770	0.7
229.14307	0.6
243.08466	0.6
245.22659	1.5
263.23740	2.5
263.55484	0.5
267.09003	0.9
267.15924	11.6
269.17459	0.5
285.16977	55.3
286.17264	0.7
313.27676	0.6
319.26343	0.6
324.11578	1.2
337.27393	50.8
347.09427	0.6
405.13818	0.6
406.14401	0.7
437.34421	0.6
452.23953	0.7
455.35168	0.9
464.23550	1.4
473.36133	0.7
488.22064	0.6
489.35919	0.7
497.31702	0.6
498.31390	0.7
529.38922	13.2
547.39990	100.0
548.40546	2.6
606.24066	1.0
650.26959	1.4
659.36133	0.8
660.36652	0.9
906.51105	28.6
907.46326	2.2
943.67401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.466
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28291	0.4
67.05511	4.4
69.03431	3.2
69.07069	1.2
71.01347	0.6
71.04990	0.6
73.02924	4.2
79.05492	3.3
81.03413	1.9
81.07058	3.9
82.07372	0.5
83.04989	0.7
83.08630	0.9
85.02909	5.4
91.03580	0.3
91.03977	2.8
91.05447	1.9
93.07057	3.1
95.04990	0.8
95.08607	3.2
97.02882	5.7
98.20744	1.3
99.04459	1.2
101.02399	1.5
105.07030	1.3
107.08611	2.0
109.02921	0.7
109.10168	1.6
115.03960	0.4
117.07080	0.5
119.08591	1.3
121.10146	1.9
127.03938	1.6
129.48396	0.4
131.08582	0.9
133.10146	0.7
135.11693	2.1
143.38545	0.4
145.05000	0.7
145.10158	1.2
147.11739	0.6
149.13322	0.4
163.11237	1.3
181.12247	0.8
185.04321	0.9
196.03487	0.4
227.12891	1.6
243.08388	2.7
249.11002	6.7
285.17044	0.4
305.13712	1.0
335.25977	1.5
336.26260	0.8
347.09576	2.1
363.09372	0.4
365.10785	0.7
405.13678	6.2
467.18903	4.6
504.37817	0.5
506.81207	0.4
519.29358	7.1
546.39081	1.0
547.39154	0.6
548.39819	1.2
629.23981	3.3
681.34668	8.6
745.41418	2.0
823.54938	0.4
907.46570	100.0
908.47144	3.3
913.99017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05170	0.3
67.05507	3.5
69.03428	4.1
69.07063	0.7
69.30749	1.3
71.01357	0.6
71.04993	0.5
73.02918	4.7
79.05492	2.5
81.03424	2.2
81.07059	3.5
82.67986	0.1
83.01346	0.3
83.04984	0.5
83.08630	0.7
85.02905	7.0
87.04469	0.5
91.03960	4.4
91.05475	1.8
93.07046	3.0
95.04993	0.5
95.08611	2.3
97.02892	7.0
97.06532	0.2
97.10155	0.3
99.04467	0.9
101.02391	2.4
103.03933	0.4
105.07054	0.8
107.04971	0.2
107.08598	1.4
109.02892	0.7
109.06526	0.4
109.10150	1.1
115.03952	0.5
117.07047	0.5
119.08578	0.9
121.06514	0.2
121.10152	1.5
123.08086	0.3
125.09640	0.2
127.03922	1.6
131.08575	0.8
133.10168	0.6
135.08069	0.3
135.11696	1.0
145.04979	0.5
145.10172	0.5
146.77138	0.2
147.11748	0.5
149.13367	0.2
153.12758	0.2
159.11716	0.2
161.13261	0.3
163.11240	0.7
173.13234	0.3
185.04272	0.8
203.05383	0.6
211.13420	0.3
235.96526	0.2
243.08354	1.9
249.11018	0.5
283.15500	0.3
285.16812	0.2
305.13544	0.2
335.25989	0.8
337.27109	0.4
338.27472	0.3
347.09363	1.9
363.09109	0.4
365.10400	1.1
405.13678	5.8
429.41922	0.2
467.18848	4.3
468.19568	0.3
519.29291	5.7
521.93304	0.2
547.39447	0.2
548.40100	0.9
629.24182	3.2
629.34375	0.2
630.25995	0.2
681.34528	6.7
745.40967	1.2
907.46606	100.0
908.46838	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	907.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.4
69.03436	3.6
69.07090	0.5
69.82555	0.7
69.89254	0.2
71.01354	0.3
71.05008	0.6
73.02924	3.2
73.03313	0.3
79.05501	2.1
79.68118	0.2
81.03429	2.4
81.07064	2.6
83.01384	0.3
83.04998	0.5
83.08642	0.6
85.02915	5.9
87.04481	0.3
90.80070	0.2
91.03963	3.4
91.05495	1.3
93.07047	2.3
93.07552	0.2
95.04982	0.6
95.08620	1.6
97.02901	5.6
97.06533	0.2
97.10176	0.2
99.04445	1.2
101.02382	1.8
103.03944	0.4
105.07066	0.8
107.04979	0.4
107.08622	1.5
109.02892	1.0
109.06570	0.3
109.10188	0.9
115.03976	0.6
115.10352	0.2
117.07059	0.7
119.08573	0.9
121.10183	0.8
123.08116	0.3
127.03938	1.7
131.08597	0.3
133.10182	0.3
135.11719	0.9
145.10196	0.9
147.11719	0.3
163.11172	1.3
173.09734	0.3
179.47318	0.2
185.04303	0.7
194.12692	0.2
203.05399	0.5
209.11842	0.5
232.36029	0.2
243.08446	1.8
249.11134	0.3
259.20764	0.2
283.15561	0.4
305.08313	0.2
335.26031	0.5
347.09543	2.3
363.03864	0.3
363.09122	0.4
365.10660	1.0
405.13708	5.1
467.18939	7.0
467.25186	0.4
519.29388	4.1
548.40027	0.3
629.24243	6.3
629.34595	0.3
681.34558	3.5
745.41052	1.2
907.46674	100.0
908.46967	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	908.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.7
67.05514	16.6
69.03429	2.9
69.07076	17.2
71.05000	2.6
71.08646	2.3
73.02930	2.6
73.06584	0.3
79.05502	12.7
81.03426	31.4
81.07066	22.8
83.04993	7.1
83.08627	21.5
85.02912	20.2
85.03433	0.8
85.06528	1.7
85.10188	1.5
91.03965	5.8
91.05490	15.9
93.07055	11.8
95.04388	0.6
95.04978	13.5
95.08617	16.6
95.91331	0.3
97.02903	6.0
97.06533	2.8
97.09553	0.4
97.10177	8.1
98.21505	0.9
99.04436	0.8
99.08067	1.1
105.04502	0.5
105.07047	9.8
107.04976	3.1
107.08606	6.7
109.02859	0.7
109.06528	2.3
109.09487	0.5
109.10171	7.0
111.04427	1.4
111.07385	0.4
111.08093	6.0
111.11697	1.3
113.06000	1.2
113.09614	0.5
114.14956	0.3
115.03915	0.4
115.05484	0.8
117.07011	1.1
119.04959	0.6
119.08591	8.9
119.09901	0.3
121.06487	0.6
121.09350	0.6
121.10162	9.0
123.08060	1.1
123.11729	2.6
125.06028	0.4
125.09614	1.4
125.13242	0.3
127.03928	1.6
129.07021	4.8
131.07611	0.4
131.08585	6.2
133.06464	1.2
133.10136	6.3
135.11719	4.2
137.09598	0.8
137.13289	0.6
139.11151	0.5
142.07779	1.4
145.04976	2.3
145.10130	0.9
147.07999	1.1
147.11705	7.7
149.09633	3.0
149.13252	1.8
151.11153	0.4
153.12721	0.4
156.74332	0.4
157.10141	7.7
163.06024	2.4
163.11160	0.6
163.14836	1.0
165.12778	1.9
175.11203	8.8
184.20024	0.3
191.17877	0.4
193.12260	25.5
211.13313	37.9
212.13669	0.4
247.24164	0.9
249.15065	0.6
265.25238	1.0
267.13004	0.4
267.15945	14.0
285.16989	57.3
286.17346	0.4
339.28973	55.3
340.29340	0.5
457.36584	0.6
531.40491	12.5
549.41559	100.0
550.41663	1.9
693.45673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.7
67.05504	16.0
69.03444	1.7
69.07069	15.3
71.04961	1.5
71.08636	1.9
71.54790	0.6
73.02911	1.9
79.05493	11.4
81.03418	22.6
81.07054	18.2
83.04983	6.0
83.08618	18.6
85.02903	14.1
85.06499	1.3
85.10149	1.3
91.03465	0.4
91.03957	3.8
91.05481	10.3
93.06494	0.6
93.07042	11.1
95.04969	9.5
95.08604	13.4
97.02384	0.4
97.02891	4.2
97.06535	3.0
97.10170	7.0
99.04427	0.5
99.07971	0.4
100.66018	0.4
105.07033	8.1
107.04937	2.3
107.07999	0.4
107.08591	5.3
109.02839	0.7
109.06538	2.0
109.09465	0.5
109.10152	5.4
111.04408	0.5
111.08082	4.6
111.11719	1.8
113.05948	1.0
113.07844	0.4
116.06178	0.4
117.06973	0.6
119.08571	6.4
119.66373	0.4
121.06475	0.9
121.09329	0.7
121.10139	8.9
123.08035	0.7
123.11704	1.9
125.09648	0.5
127.03880	1.5
129.07008	3.5
131.08568	4.2
133.06441	0.8
133.10120	3.9
135.11681	4.0
137.09587	0.7
137.13220	1.0
139.11124	0.7
142.07715	1.1
145.04884	1.4
145.10081	1.0
147.08029	1.1
147.11688	5.4
149.09631	2.4
149.13248	2.0
153.12759	0.4
157.10127	6.2
163.05981	1.4
163.14781	0.6
165.12721	1.4
165.16414	0.4
166.17914	0.3
175.11176	6.2
177.02245	0.4
193.12241	17.0
204.50021	0.4
211.13286	20.3
247.24174	1.0
249.14709	0.5
265.25208	1.3
267.15906	10.6
285.13715	0.7
285.16962	35.7
339.28934	56.7
340.29160	0.6
457.36700	0.6
531.40460	14.7
549.41492	100.0
550.42004	2.3
610.76044	0.4
612.79926	0.4
693.45825	0.5
921.11420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.2
67.05505	2.2
69.03433	3.5
69.07065	0.4
70.03190	0.5
71.01361	0.5
71.04983	0.4
73.02919	4.1
79.05492	2.3
81.03419	2.6
81.03867	0.3
81.07056	2.2
83.01375	0.2
83.04955	0.4
83.08614	0.9
85.02906	7.2
87.04485	0.3
91.03955	4.0
91.05479	1.9
93.07043	1.9
93.07559	0.2
95.04961	1.0
95.08608	1.8
97.02897	5.5
97.03523	0.3
97.06518	0.2
97.10180	0.2
99.04443	0.8
101.32572	0.1
103.03962	0.5
105.07026	1.1
107.04976	0.2
107.08604	1.0
109.02900	0.8
109.06523	0.2
109.09370	0.1
109.10155	0.6
111.04439	0.2
111.08096	0.3
114.43795	0.1
115.03916	0.2
117.07072	0.2
119.08580	1.1
121.10157	0.7
123.08112	0.2
127.03922	1.9
129.07014	0.5
131.08556	0.8
133.10112	0.8
135.11716	0.5
145.04993	0.6
145.10165	0.3
147.11678	0.7
149.09656	0.3
149.13289	0.3
157.10167	0.6
158.91077	0.1
159.11671	0.2
175.11183	0.7
185.04207	1.0
193.12242	1.2
203.05325	0.5
211.13319	0.8
243.08377	2.1
251.12683	0.8
259.08121	0.1
261.22162	0.1
269.12488	0.3
271.08420	0.2
272.04413	0.1
285.17014	0.1
289.09271	0.3
307.15204	0.5
326.11420	0.2
329.38376	0.1
335.25928	0.4
347.09512	2.5
360.33469	0.2
363.09076	0.6
365.10590	1.1
405.13718	5.7
465.22409	0.2
469.20447	7.5
519.29279	4.3
570.61249	0.2
585.38049	0.2
588.56683	0.1
631.15277	0.3
631.25708	6.8
681.34558	3.9
747.43219	1.5
837.25879	0.1
909.48169	100.0
910.48566	2.9
921.58362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	5.5
69.03433	10.7
69.07072	8.5
71.01357	2.3
71.04990	1.8
73.02921	14.4
73.44248	0.5
79.05501	6.4
81.03425	5.6
81.07065	17.3
83.01360	1.1
83.08635	2.4
85.02911	83.8
87.04485	1.1
91.03961	41.5
91.05480	6.3
93.07053	15.1
95.00758	0.9
95.01337	14.3
95.04979	0.5
95.07990	0.7
95.08614	23.1
97.02900	43.6
97.10168	1.9
98.20705	0.8
99.00811	1.6
99.04478	4.2
101.02377	2.2
103.03955	3.2
105.07041	11.6
107.07868	1.1
107.08602	22.1
109.02885	6.1
109.10159	10.9
111.11700	0.6
113.02369	2.8
115.03952	3.9
115.05474	0.5
116.04581	0.5
117.05528	0.9
117.07026	2.7
119.07833	0.5
119.08589	14.7
121.10154	12.2
123.00841	0.6
123.04482	0.5
123.11720	5.5
127.03930	28.7
128.06194	1.0
129.07033	1.1
130.07843	0.8
131.03407	1.3
131.08578	9.2
133.10153	9.7
135.11696	8.7
137.13257	5.5
139.03920	1.3
141.01839	49.8
141.06964	1.1
142.07660	0.5
143.08578	5.2
144.09309	0.5
145.04976	39.2
145.10133	17.1
145.11292	0.8
146.11012	0.5
147.11707	13.0
149.13272	19.7
151.14813	1.1
155.08600	2.7
156.09332	0.6
157.10133	6.3
158.10942	0.7
159.02902	10.9
159.11705	10.2
161.13271	6.4
163.06030	62.5
163.14833	31.9
165.16447	0.8
169.10146	3.7
170.10922	0.7
171.11717	6.1
173.13264	6.9
175.03825	0.6
175.14839	15.0
177.03973	2.4
177.16403	9.6
181.10164	0.7
182.10953	0.5
183.11702	3.7
184.12511	0.8
185.13271	5.1
187.14836	24.4
189.16400	25.2
191.17960	4.9
193.10344	0.5
195.11693	0.9
197.13266	2.3
199.14816	6.6
201.16377	12.8
203.17964	10.3
204.08682	0.7
205.19618	0.5
209.13289	0.7
211.14850	2.6
213.16399	7.9
215.17960	12.1
217.19539	4.8
223.14874	1.0
225.16365	3.5
226.17279	0.5
227.17993	6.1
229.19511	6.9
231.21156	0.9
237.16574	1.1
239.17993	4.6
241.07259	0.5
241.19507	9.6
243.21111	5.7
245.22647	0.9
251.18155	0.7
253.19514	9.2
255.21104	12.6
257.22702	4.3
265.19568	0.6
267.21063	8.0
269.22668	4.8
279.21109	1.0
281.22635	2.7
285.06049	2.7
285.22134	2.0
293.22815	1.0
295.24252	2.0
303.07065	1.9
307.24170	1.2
309.25613	0.7
321.08167	5.7
321.25861	1.1
324.14658	0.4
325.11331	1.4
333.25754	1.0
335.27451	0.9
339.09308	4.6
348.28207	1.2
349.29062	0.5
391.33615	100.0
392.33997	1.6
409.34671	11.2
417.86060	0.5
533.36499	0.5
549.35449	1.6
567.36884	2.6
585.37878	11.3
729.42279	0.8
747.42798	1.7
817.06763	0.6
909.49188	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	909.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32539	0.5
64.20167	0.5
65.03949	1.1
65.79224	0.6
67.05509	4.3
69.03436	5.4
69.07073	5.4
71.01349	1.8
71.04977	1.0
71.52679	0.9
73.02921	11.1
79.05485	3.8
81.03414	3.7
81.06585	0.9
81.07059	15.6
83.01340	0.7
83.04996	0.6
83.08630	3.7
85.02908	50.4
87.00816	0.6
90.80046	0.6
91.03958	31.0
91.05479	4.8
93.06489	0.7
93.07049	9.7
95.01331	13.8
95.04944	0.9
95.08611	18.4
97.02897	31.1
97.10181	1.3
99.00827	1.4
99.04486	2.9
101.02411	1.5
103.03963	2.0
105.07034	8.7
107.08592	15.2
107.27959	0.6
109.02879	2.0
109.10163	8.1
113.02372	2.3
115.03935	2.5
117.05479	0.7
117.07017	2.9
119.08579	10.3
121.06528	0.7
121.10143	11.0
123.11700	3.7
127.03925	22.2
128.06210	1.1
129.07004	2.0
131.03383	1.4
131.08563	5.2
133.10136	7.1
135.11678	7.0
137.13249	4.4
139.03899	2.0
141.01833	44.5
141.07005	1.1
142.07831	1.0
143.08560	5.2
145.04965	24.5
145.10121	10.9
147.04434	0.8
147.11684	9.3
149.13271	15.1
151.14833	1.0
155.08572	2.7
156.09346	0.6
157.10133	4.2
159.02887	10.9
159.11711	6.2
161.13240	5.1
163.03888	1.3
163.06023	47.2
163.11108	0.9
163.14827	22.5
165.16411	0.9
169.10109	3.2
171.11710	4.2
172.12575	0.6
173.05978	0.7
173.13234	4.9
175.04033	0.6
175.14824	9.9
177.03952	1.7
177.05409	1.3
177.16414	5.5
183.11763	2.9
184.12433	0.7
185.13281	3.9
187.03865	0.6
187.14828	14.6
189.16393	10.6
191.17935	2.5
197.13255	1.9
199.14752	3.8
201.16359	9.3
203.17938	6.6
204.08708	0.8
209.13272	1.1
211.14856	3.0
213.16360	5.0
215.17970	7.2
217.19554	2.5
224.89189	0.8
225.16422	2.2
227.17967	5.4
229.19528	3.3
237.16400	1.2
239.17995	4.6
241.19463	6.4
243.21182	2.9
245.15730	0.7
251.17903	0.6
253.19487	6.4
255.21092	7.7
257.22736	2.0
267.21155	6.5
269.22668	2.0
279.21082	0.7
281.22656	1.9
285.06143	2.4
285.22147	0.8
293.22629	0.8
295.24228	1.7
303.06973	1.0
307.24191	1.3
321.08194	3.0
321.25751	1.0
333.26181	0.7
335.27267	0.9
339.09128	4.1
348.15436	0.7
391.33591	100.0
392.33926	2.4
409.34634	9.0
452.74643	0.7
484.18369	0.7
549.35394	0.8
567.37036	1.4
585.37903	3.4
729.32324	1.2
747.43237	1.6
909.48456	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	910.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.4
67.05504	13.9
67.05853	0.5
69.03444	3.0
69.07068	6.3
70.51408	0.4
71.04993	2.5
71.08632	13.7
71.54531	0.4
73.02921	2.9
79.05495	11.0
81.03417	29.2
81.07055	20.5
83.04979	7.4
83.08614	16.1
85.02901	19.1
85.06512	0.9
85.10181	9.2
89.06013	0.6
91.03947	5.0
91.05476	13.8
93.06488	0.5
93.07039	8.1
95.04968	13.5
95.08607	13.2
97.02401	0.6
97.02895	5.8
97.06519	2.3
97.10166	5.7
99.04411	0.7
99.08070	0.8
99.11703	0.5
103.05434	0.5
103.07572	0.7
105.07023	9.7
107.04955	3.6
107.08581	4.0
107.16544	0.4
109.06541	2.3
109.10159	7.1
110.33228	0.4
111.04415	1.2
111.07372	0.6
111.08076	5.8
111.11668	1.1
113.05958	1.4
115.05433	1.1
117.06937	0.5
119.08575	10.2
121.06471	1.2
121.10145	4.8
123.08068	1.0
123.11714	2.5
125.09555	0.9
127.03855	1.6
127.07520	0.4
129.07002	5.3
131.08568	5.6
133.06461	1.9
133.10143	5.7
135.11723	0.7
137.09576	1.0
137.13249	0.9
142.07794	1.9
145.04929	1.7
145.10110	0.7
147.07993	1.7
147.11685	8.1
149.09657	3.7
157.10130	8.0
163.06032	2.5
163.11154	0.7
165.12727	1.7
175.11188	8.5
193.12239	24.6
211.13289	37.3
211.88855	0.4
267.15903	14.9
267.26709	0.8
275.63565	0.4
285.16959	60.5
285.27817	1.1
286.17236	0.9
307.70065	0.4
314.94440	0.4
341.30496	55.5
342.30698	0.8
387.43912	0.4
434.20847	0.4
461.96530	0.4
493.38895	1.0
533.42010	12.2
551.43066	100.0
552.43573	1.5
820.64581	0.6
882.12567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.8
69.03434	2.7
69.07067	1.5
71.54165	0.4
73.02925	3.1
79.05498	1.2
81.03440	1.6
81.07066	1.9
83.04989	0.5
83.08619	1.1
85.02908	4.7
85.03301	0.4
91.03958	2.4
93.07053	2.1
95.08615	1.8
97.02897	4.1
99.04469	0.7
101.02393	2.3
105.07026	0.7
107.08634	1.4
109.10182	0.7
121.10190	1.5
127.03938	0.9
135.11729	2.6
145.10201	1.2
150.54404	0.4
163.11162	2.1
181.12378	0.6
185.04207	0.5
196.94600	0.4
203.05280	0.6
227.12791	2.1
243.08530	2.0
247.70865	0.4
249.11018	3.6
283.15414	0.5
305.13586	1.4
313.27777	0.5
347.09772	1.3
363.09369	0.6
365.10596	0.8
405.13657	4.2
467.18985	9.9
523.32501	7.3
553.41656	0.6
587.39380	0.7
610.03955	0.4
629.24268	6.3
685.37494	5.3
749.44690	2.3
782.86902	0.6
872.27911	0.5
911.49731	100.0
912.49731	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	911.497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.6
69.03435	3.3
69.07088	0.6
69.54100	2.4
71.05006	0.7
73.02919	3.9
79.05514	1.5
81.03411	2.7
81.07040	2.6
83.04997	0.6
83.08622	1.3
85.02905	6.6
87.56199	0.4
91.03954	4.0
91.05492	1.6
92.85252	0.5
93.07068	1.7
95.05004	1.2
95.08628	2.4
96.78210	0.4
97.02892	5.6
97.10209	0.5
99.04466	1.1
101.02377	2.0
102.01810	0.5
105.07061	1.2
107.08630	1.0
109.02907	1.1
109.10176	1.1
110.48198	0.4
111.08123	0.4
117.07055	0.6
119.08598	0.8
121.10146	0.8
127.03941	1.7
133.10130	0.7
145.04913	0.5
147.11777	0.5
157.10165	0.9
175.11258	0.9
185.04280	0.8
193.12273	0.8
203.05301	0.9
211.13342	0.6
218.23055	0.4
243.08565	1.9
251.12726	0.8
307.15240	0.8
347.09351	2.4
365.10626	1.4
405.13644	5.0
420.81631	0.4
451.93469	0.5
459.20038	0.4
469.20486	7.3
518.70264	0.5
521.31128	4.3
631.25671	6.6
683.36078	3.8
741.38269	0.9
749.43958	1.8
878.19391	0.6
911.49695	100.0
912.50781	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	913.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.5
69.03429	2.9
69.07074	1.3
71.01376	0.5
71.04980	0.4
71.08632	0.9
71.53731	0.5
72.75238	0.4
73.02926	3.4
79.05493	1.2
81.03425	4.0
81.07069	1.8
83.08639	1.7
85.02908	5.7
87.04458	0.6
91.03947	2.8
91.05508	1.2
93.07059	1.3
95.05029	0.5
95.08625	1.6
96.82095	0.3
97.02903	4.9
97.06528	0.4
98.28449	0.4
99.04452	0.6
101.02404	1.4
101.71284	0.5
105.07061	0.7
107.04945	0.7
107.08630	0.5
109.02933	0.9
109.10162	0.7
115.03928	0.6
121.10165	0.8
127.03973	1.4
129.06970	0.5
133.10190	0.5
147.11720	0.9
157.10178	0.8
175.11287	0.5
184.20718	0.4
185.04324	1.2
193.12379	1.1
203.05379	0.9
243.08528	1.7
251.12558	0.5
267.09079	0.4
267.16003	1.6
296.60196	0.4
313.27560	1.7
347.09445	2.6
365.10730	0.9
393.40842	0.4
405.13718	5.5
469.20529	8.1
505.39258	0.8
523.32617	4.5
557.76270	0.4
631.25781	7.1
672.33502	0.4
685.37842	4.3
751.45520	2.1
836.49994	0.4
847.68182	0.5
913.51343	100.0
914.51447	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.4
67.05511	11.7
69.03438	1.6
69.07072	6.7
70.77345	1.0
71.04989	1.8
71.08636	19.7
73.02909	1.4
79.05497	6.0
81.03419	57.4
81.07059	15.9
82.03763	0.3
83.04983	3.0
83.08620	19.8
84.17486	0.3
85.02906	5.3
85.06543	0.7
85.10185	12.7
87.04484	0.4
89.06030	1.1
91.03963	3.8
91.05482	10.2
91.69320	0.3
93.07045	4.6
95.04972	18.4
95.08610	15.7
97.02898	4.2
97.06543	0.7
97.10173	5.2
99.11720	0.8
103.03939	0.4
103.07588	1.3
105.07038	7.5
105.07693	0.7
107.04964	3.4
107.08599	2.6
109.02881	0.5
109.06532	1.9
109.10160	8.6
111.04446	1.6
111.08081	4.9
111.11710	0.6
115.04023	0.5
115.05469	0.8
116.06195	0.4
117.07032	0.8
117.09161	0.5
119.08585	8.6
121.06509	2.1
121.10166	4.0
123.04446	2.0
123.08107	0.7
123.11714	3.8
125.09624	0.9
127.03916	1.5
129.07014	5.6
131.08575	6.3
133.06517	2.1
133.10138	3.5
135.08073	0.5
135.11763	0.6
137.09627	1.4
137.13261	1.3
139.14864	0.5
141.07208	0.4
142.07777	1.4
143.08600	0.3
145.04974	1.9
145.10118	1.0
147.04384	0.8
147.08072	2.6
147.11682	5.7
149.09633	3.8
150.66710	0.3
151.14877	0.8
157.10126	8.5
161.09653	0.5
163.05980	2.5
163.11238	1.6
165.12767	1.4
173.05899	0.4
173.09590	0.6
175.11186	7.2
185.13271	0.6
189.12799	0.5
193.12247	25.5
205.12149	0.4
207.13837	0.7
211.13301	1.6
223.13361	0.5
235.13406	1.7
239.23758	2.2
249.14909	2.1
257.24728	2.4
259.13348	1.4
267.15921	100.0
268.16251	0.7
273.14853	1.2
301.14459	2.0
309.16898	2.7
313.27368	99.9
314.27631	1.1
319.15506	0.7
333.16968	0.7
375.18100	0.8
505.38904	83.5
506.38956	2.0
523.40009	3.0
547.39917	5.6
565.40784	0.7
571.39557	0.6
589.40668	1.4
601.41028	3.3
613.40686	1.4
631.42163	2.5
649.42810	1.4
665.00256	0.4
667.43542	0.5
914.50940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.529
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05529	1.6
69.03452	2.6
69.79382	1.7
69.79788	1.2
71.01392	0.5
71.04990	0.5
71.08649	1.1
73.02930	3.5
79.05519	1.1
81.03427	2.9
81.07079	1.3
83.08646	0.7
85.02912	5.2
85.10204	0.6
91.03945	3.2
91.05508	1.7
93.07081	0.9
95.04994	0.7
95.08640	1.1
97.02905	5.6
97.10165	0.6
101.02425	1.4
105.07066	0.7
109.02887	0.9
127.03946	1.3
129.07007	0.6
133.10178	0.7
157.10231	0.6
175.56789	0.6
185.04286	0.9
186.20525	0.6
202.79726	0.7
203.05336	0.9
243.08621	1.7
251.12595	0.5
307.15179	0.7
341.30600	0.5
347.09445	2.3
365.10788	0.9
365.33728	0.6
396.79166	0.5
405.13815	4.7
469.20490	9.2
469.27002	0.6
525.33984	4.5
579.25635	0.6
610.77399	0.6
631.25867	8.4
631.35748	0.8
633.39392	0.6
687.39709	4.1
753.47974	2.5
915.52924	100.0
916.53131	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	916.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.8
66.92582	0.7
67.05511	38.7
69.03420	2.0
69.07074	9.6
71.01350	1.7
71.04995	2.4
71.08638	19.3
73.02928	3.1
75.04482	0.8
79.05064	0.9
79.05495	11.5
81.03426	3.9
81.07063	22.1
83.04989	3.5
83.08627	13.6
85.02911	19.0
85.06544	1.8
85.10185	9.5
87.04478	3.9
89.06020	1.9
91.03968	4.8
91.05492	5.5
91.57012	0.6
93.07043	7.2
95.04955	2.3
95.08064	1.3
95.08617	19.6
97.02908	9.1
97.06532	2.2
97.10178	17.2
99.04395	0.7
99.11772	0.6
101.06028	0.8
103.03935	2.1
103.07544	0.8
105.07043	1.8
107.04948	1.9
107.08594	8.2
109.10166	34.7
111.04442	3.0
111.08085	1.7
111.11732	1.1
117.06991	0.8
119.08580	3.7
121.06551	1.1
121.10153	2.8
123.11718	3.0
125.09637	13.8
127.03889	3.5
131.08583	1.9
133.10153	1.5
135.08051	1.0
135.11720	2.4
137.09616	2.0
137.13280	1.2
143.10689	2.5
145.04994	2.0
145.10141	2.7
147.08058	1.2
147.11629	0.7
149.09656	1.6
150.44247	0.7
155.10703	2.6
163.06050	2.6
163.11214	3.3
173.09630	1.1
173.10335	0.8
173.11772	8.9
181.12178	1.2
189.11069	0.7
191.10663	1.6
199.13315	9.3
203.61075	0.7
209.11676	8.1
211.13376	0.9
214.06058	0.7
217.14351	0.8
227.12813	5.2
229.14377	49.8
239.23749	3.0
257.13715	1.1
257.24854	1.4
267.16049	1.9
283.15372	8.7
297.16833	1.0
299.14926	2.0
301.16504	32.6
313.27386	100.0
314.27774	2.5
335.25909	0.8
341.26993	2.0
348.75171	0.6
437.36319	4.6
455.37430	13.0
467.37360	33.0
505.38391	0.9
521.38422	5.4
533.97467	0.7
539.39447	19.1
540.39496	0.7
548.35736	0.7
557.40356	3.6
701.44611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.7
67.05521	0.1
68.99792	0.2
69.03432	5.6
69.71255	0.4
69.99694	0.1
71.01365	0.1
71.04995	6.6
73.02917	0.8
75.04486	0.3
81.03423	1.0
83.01345	0.1
83.04980	0.9
85.02906	15.4
87.04455	0.4
91.03960	0.3
91.05485	5.0
93.03426	0.1
94.12122	0.1
95.04999	0.1
97.02898	2.7
97.12682	0.1
99.04445	0.5
103.03967	0.1
104.03594	0.1
105.07078	0.1
107.04957	0.3
109.02882	1.1
111.00803	0.2
111.04447	0.8
115.03934	0.3
119.04948	14.7
120.05196	0.1
121.02860	0.3
123.04436	0.2
125.02312	0.2
127.03918	3.4
129.05486	3.0
131.04900	0.2
133.05011	0.5
133.06425	0.1
135.04416	0.2
137.02324	0.8
137.05914	0.1
145.04970	2.5
145.06219	0.1
147.04413	100.0
148.04788	0.6
149.02371	0.2
150.84375	0.1
151.03912	0.2
153.01797	0.8
153.05478	0.1
157.06453	0.1
157.08449	0.1
161.05997	0.1
163.03899	0.4
163.05991	0.4
165.01840	0.6
165.05487	3.3
165.06902	0.2
167.07080	0.1
169.06406	0.1
173.05963	0.2
177.05466	0.1
179.05495	0.3
183.03078	0.2
183.04395	0.1
185.06033	0.1
187.07462	0.1
189.05489	0.1
201.05553	0.5
203.07051	0.1
213.05508	0.1
215.07072	0.1
229.04979	1.1
231.06479	0.2
237.07620	0.1
247.05928	0.3
255.08665	0.3
257.04434	0.7
257.06946	0.1
257.08191	0.1
273.09882	0.1
274.04791	0.2
275.09296	0.6
285.03931	0.4
287.05447	0.2
291.08621	4.0
293.10220	0.9
303.04993	36.6
304.05292	0.3
309.09683	12.5
327.05121	0.1
345.05920	0.2
419.13150	0.2
449.10901	0.2
455.15375	0.3
611.13855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2508
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.03916	0.5
68.99801	0.1
69.03432	4.7
70.31716	0.3
71.01376	0.2
71.04996	9.0
72.49519	0.1
73.02916	0.2
74.76746	0.1
75.04486	0.3
81.03423	0.4
83.04983	0.8
85.02908	12.2
87.04477	0.3
91.05485	4.2
93.03395	0.1
95.04998	0.1
97.02881	0.9
98.20896	0.1
99.04453	0.3
99.60502	0.1
103.03934	0.1
105.07058	0.1
107.04979	0.4
109.02873	0.4
111.00816	0.2
111.04439	0.6
119.04948	12.9
120.05256	0.1
121.02889	0.3
122.57057	0.1
123.04462	0.3
127.02964	0.1
127.03921	2.5
129.04510	0.2
129.05489	3.5
133.06480	0.1
135.04408	0.2
135.95563	0.1
137.02341	0.6
137.05988	0.1
139.03891	0.2
139.07706	0.1
145.04977	0.4
145.06451	0.1
147.04416	100.0
148.04764	0.7
149.02397	0.1
149.05963	0.1
151.03978	0.1
153.01808	0.6
157.06558	0.1
161.06052	0.1
161.09618	0.1
161.73132	0.1
163.03932	1.2
165.01845	0.4
165.05482	3.6
167.07137	0.1
169.06418	0.1
173.06050	0.2
181.05008	0.1
183.02922	0.2
183.04369	0.1
185.05968	0.1
187.07561	0.2
198.59691	0.1
201.05458	0.3
203.06824	0.1
213.05556	0.1
217.05078	0.1
229.04996	0.8
231.06534	0.2
247.06073	0.1
257.04514	0.6
274.04932	0.1
275.05655	0.1
275.09045	0.4
285.03928	0.2
287.05530	0.8
291.08646	4.6
293.10199	1.1
303.05008	24.3
304.05331	0.3
309.09698	17.0
310.09955	0.2
325.09225	0.3
327.05106	0.1
419.13275	0.1
455.15472	0.3
467.09262	0.1
470.71115	0.1
471.14764	0.2
491.09793	0.1
549.00513	0.1
611.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.2
69.03429	2.4
69.07074	0.4
70.91838	0.2
70.92186	0.3
71.01358	0.5
71.04977	0.8
71.08640	0.6
73.02919	2.6
79.05505	1.0
81.03419	2.6
81.07072	1.2
83.04961	0.3
83.08615	0.8
85.02903	4.2
85.10193	0.6
87.04512	0.4
91.03957	2.5
91.05490	1.0
93.07054	1.0
95.04980	0.7
95.08595	1.3
97.02894	4.0
97.06519	0.3
97.10180	0.2
99.04427	0.8
101.02367	1.6
103.03955	0.4
105.07048	0.8
107.04983	0.3
107.08625	0.5
107.40919	0.1
109.02900	0.7
109.06514	0.2
109.10170	0.8
111.08099	0.3
114.37666	0.1
115.03944	0.3
119.08606	0.6
121.10132	0.9
123.11720	0.3
127.03914	1.5
129.05562	0.2
129.07063	0.4
131.08606	0.5
133.10139	0.5
137.98578	0.2
145.04979	0.3
147.08073	0.2
147.11755	0.3
149.09631	0.8
154.32228	0.2
157.10123	0.4
158.45375	0.2
175.11191	0.5
185.04272	0.6
193.12227	1.0
197.15382	0.2
203.05319	0.7
211.13278	0.3
225.14970	0.4
235.13489	0.2
243.08348	1.6
255.15990	0.2
259.07962	0.2
267.15967	0.8
283.15164	2.0
305.08630	0.2
313.27295	0.9
339.17993	0.6
347.09470	2.4
363.09125	0.3
365.10565	1.0
405.13678	5.1
469.20267	0.4
497.30872	4.5
497.37820	0.3
501.23111	9.4
595.41846	0.3
659.36169	6.2
663.28326	9.8
757.47034	3.1
919.52374	100.0
920.52771	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	920.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.7
67.05510	44.2
67.06046	1.2
69.03433	4.5
69.07076	11.8
70.11133	1.1
71.01344	0.9
71.04995	2.9
73.02924	5.7
73.19714	0.3
77.03896	0.8
79.05499	38.1
80.06256	1.3
80.56064	0.3
81.03426	11.6
81.07063	44.8
82.04213	2.7
83.01322	0.4
83.04985	8.0
83.08624	10.8
84.05750	0.5
85.02912	14.9
85.06551	2.5
87.04428	0.6
91.03971	7.0
91.05488	26.7
92.06274	0.6
93.07050	39.0
94.07832	0.9
95.04376	0.4
95.04979	10.4
95.08612	32.0
96.04467	0.7
96.05750	0.6
97.02902	9.0
97.06538	5.6
97.10180	9.5
98.07314	3.1
99.04427	1.7
99.08075	1.4
101.02376	0.5
101.06001	0.5
103.03988	0.4
103.05454	0.5
105.04489	1.3
105.07040	20.2
106.07827	0.6
106.68560	0.4
107.04965	2.7
107.08604	23.8
109.02902	0.8
109.06539	3.1
109.10161	17.3
111.04440	1.3
111.08091	4.4
111.11665	0.5
113.05993	1.1
115.03902	0.5
115.05450	0.8
116.03973	0.5
116.04723	7.3
117.05559	0.6
117.07030	7.2
119.08588	17.0
120.09374	0.7
121.06499	1.1
121.10150	17.1
122.10846	0.4
123.04408	0.5
123.08071	3.7
123.11713	5.0
124.08875	0.4
125.08767	0.7
125.09637	10.7
126.10337	0.4
127.03916	2.9
127.07501	0.5
127.11176	1.3
128.06155	0.6
129.05489	22.2
129.06941	4.2
130.07771	0.6
131.08585	13.1
132.09268	0.4
133.06512	0.8
133.10143	13.7
134.10968	0.3
135.08089	2.4
135.11697	12.3
136.08842	0.5
137.09589	1.7
137.13206	1.3
139.07402	0.3
139.11150	1.1
141.06970	0.5
142.07797	0.5
143.07050	5.4
143.08517	1.4
143.10654	1.0
145.04955	3.4
145.09041	0.6
145.10135	8.5
147.08038	1.1
147.10510	0.6
147.11693	11.2
149.05919	0.4
149.09637	2.9
149.13268	6.0
151.11154	1.4
153.09103	0.6
153.12698	1.3
155.08554	0.4
155.10632	0.5
157.08586	9.9
157.10094	4.2
158.05730	0.4
159.11710	6.9
161.09599	0.6
161.13293	4.7
163.06009	4.6
163.11215	3.3
163.14822	3.2
164.11963	0.6
165.12769	2.0
167.10745	0.4
169.10139	1.1
171.06511	1.0
171.07925	0.5
171.10158	3.2
171.11681	1.8
173.04517	0.5
173.11720	1.6
173.13249	5.6
175.11183	3.1
175.14775	2.0
177.12776	0.5
177.16371	1.2
179.14261	0.3
181.10005	0.4
181.12245	1.6
183.10219	0.4
185.07951	0.5
185.11719	1.6
185.13246	1.6
187.11127	0.4
187.14832	2.7
189.11197	4.5
189.12788	0.9
189.16331	0.5
191.10573	0.7
191.14249	0.6
193.12247	8.1
195.11719	0.5
197.13333	0.7
199.13260	2.8
199.14830	0.9
200.14049	1.3
201.12895	0.4
201.14738	0.6
201.16386	1.1
203.14410	0.6
205.15901	0.6
209.11707	1.8
210.12537	0.6
211.13245	6.6
211.14958	0.7
213.11116	0.5
213.14754	0.7
213.16582	0.6
215.17812	0.4
217.14316	1.0
223.14886	0.4
227.12796	8.2
228.13562	0.4
229.14281	2.9
231.21017	0.4
233.19110	0.5
233.22684	0.5
235.16792	0.5
241.19547	0.7
243.21112	3.7
247.17035	0.6
251.20052	0.6
255.15886	1.4
259.20599	2.7
261.22168	10.8
267.09192	0.4
267.15912	6.9
269.17383	0.4
275.20178	0.6
277.21655	5.4
279.23077	0.5
283.15433	4.0
285.16898	3.3
285.22095	0.5
297.22296	0.7
299.14877	0.4
299.23697	0.6
301.16476	60.0
315.23062	1.7
317.24930	1.8
327.23340	0.8
333.24268	1.4
335.25821	71.9
336.26138	1.0
341.25143	0.5
351.25363	2.4
389.26959	1.8
409.52924	0.4
417.30359	0.5
433.30203	0.6
435.32779	0.8
441.70831	0.4
451.32004	1.1
459.34967	0.6
469.33133	1.4
487.34204	1.2
489.35941	1.1
509.36786	0.5
515.37488	0.5
522.66528	0.4
525.35461	0.7
527.37463	6.2
543.36963	6.4
544.37750	1.2
545.38477	3.9
561.37891	100.0
562.38031	2.4
579.38892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.4
66.04671	0.4
67.05508	35.6
69.03425	4.1
69.07073	9.2
70.78341	0.5
70.78673	0.8
71.01344	0.6
71.05003	2.3
71.08591	0.5
71.24450	0.3
73.02927	6.1
78.04671	0.5
79.05497	28.4
80.06271	0.9
81.03421	10.4
81.07060	36.8
82.04200	2.4
83.01313	0.5
83.04983	6.7
83.08620	7.6
84.02095	0.6
84.05731	0.6
85.02912	11.9
85.06542	2.0
87.04465	0.5
91.03966	8.1
91.05486	18.8
93.07048	26.0
94.07819	0.9
95.04977	10.1
95.08613	23.1
97.02906	6.9
97.06528	5.4
97.10172	8.9
98.07334	3.4
99.04454	1.0
99.08060	1.6
101.05998	1.4
101.89503	0.4
105.04513	0.7
105.07033	12.9
106.07770	0.6
107.04959	3.5
107.08600	18.7
109.02884	0.5
109.06512	2.2
109.10162	13.9
110.07238	0.5
111.04413	0.9
111.08095	4.2
113.06027	0.4
113.09627	0.6
115.03906	1.0
115.05415	0.4
116.04722	10.8
117.07017	5.3
119.08591	12.4
120.09374	0.7
121.06496	1.7
121.10150	12.8
123.08074	4.0
123.11711	3.9
125.09642	9.6
127.03937	2.4
127.11176	0.4
128.06239	0.5
129.05487	22.9
129.06909	2.9
130.07722	0.5
131.08582	9.3
133.06480	0.7
133.10130	11.1
135.08023	1.7
135.11694	9.8
137.09641	2.2
137.13242	1.2
139.11157	1.1
141.06998	0.6
143.07034	5.1
143.08545	1.5
143.10750	0.4
145.04984	2.5
145.10138	7.2
145.11255	0.3
147.08012	1.2
147.11687	9.5
149.09622	2.7
149.13271	4.6
151.11160	0.9
153.09058	1.3
153.12733	1.2
155.08524	0.6
155.10713	0.5
157.08578	11.3
157.10098	4.8
157.11348	0.6
159.11707	5.4
161.13287	3.5
163.06023	4.6
163.11183	2.7
163.14804	1.6
164.11960	0.5
165.12729	1.6
171.06487	0.7
171.10130	4.1
171.11655	1.6
173.11705	1.3
173.13237	3.6
175.11182	3.6
175.14763	1.5
177.12738	0.6
181.12227	0.7
183.11751	0.6
185.11679	1.0
185.13239	1.5
187.14865	1.9
189.11226	5.9
189.12776	0.8
191.14262	0.8
192.11444	0.5
193.12268	8.8
195.13806	0.6
197.13219	0.7
199.13277	3.6
199.14821	0.7
200.14110	1.9
209.11728	1.4
210.12531	0.9
211.13289	7.0
211.14929	0.3
213.14786	0.6
219.13742	0.7
219.17300	0.5
225.16440	0.5
227.12782	9.1
229.14384	3.1
233.22606	0.6
239.16266	0.6
241.14366	0.5
241.19505	1.0
243.21115	2.8
251.20242	0.5
255.15875	1.1
259.20587	2.3
261.22137	8.5
267.15939	5.0
269.17477	0.7
277.21667	5.2
283.15439	1.5
285.17004	3.9
293.17511	0.4
297.22086	0.7
299.14877	0.5
299.23654	0.7
301.16470	100.0
302.16794	1.2
315.23199	1.7
317.24808	1.1
325.23856	0.7
327.23343	0.6
333.24170	1.1
335.25821	55.5
351.25406	2.4
389.26971	1.3
433.29761	0.7
435.32498	0.5
463.22156	0.4
473.32581	0.8
489.36078	0.8
493.31387	0.6
509.36801	0.6
515.37653	0.4
527.37347	7.9
543.36853	2.6
544.37634	0.8
545.38171	3.4
561.37897	53.1
562.37958	0.9
579.38782	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	921.7899
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.7
67.05502	7.3
69.07063	7.5
70.17545	1.1
71.08630	0.7
77.03911	0.4
79.05488	4.2
81.07053	19.2
83.08617	4.5
85.06531	0.4
91.05472	4.7
93.07040	12.5
94.13892	0.3
95.04952	0.4
95.08602	38.1
97.06537	0.9
97.10175	3.0
103.05455	0.3
105.07028	12.9
107.08590	31.5
108.08930	0.5
109.10151	30.2
110.10495	0.4
111.08073	1.8
111.11726	1.3
117.07003	0.9
119.08576	19.9
119.39424	0.3
121.10136	22.8
123.08092	0.6
123.11700	12.7
125.09556	0.5
129.06961	0.3
131.08577	2.2
133.10127	19.6
135.11685	19.0
137.09625	0.4
137.13242	4.3
143.08588	0.5
145.10118	4.2
147.11681	23.9
149.13254	13.4
150.13495	0.3
151.11215	1.5
151.14803	1.2
153.12804	0.3
157.10101	0.8
159.11684	5.1
160.12489	0.5
161.13249	14.3
163.14819	10.3
165.12714	0.9
165.16345	0.6
171.11644	0.7
173.13252	5.4
174.13979	0.4
175.14822	8.2
177.16377	6.5
179.14294	3.7
179.17937	1.0
179.81551	0.3
185.13228	0.9
186.14014	1.2
187.14798	4.5
189.16376	18.2
191.14337	1.7
191.17944	8.6
191.19298	0.2
193.15872	0.3
193.19444	0.3
195.17500	0.3
199.14798	1.3
200.15547	0.3
201.16365	4.0
203.17946	70.4
204.18257	1.1
205.15987	0.8
205.19527	5.0
207.17429	21.7
208.17676	0.3
213.16385	1.0
214.17136	2.1
215.17947	5.2
217.19508	24.1
219.17386	0.6
219.21056	1.1
221.19017	2.1
227.17981	0.6
229.19496	15.7
231.21011	3.0
233.18987	1.3
235.20682	0.8
241.19469	0.9
243.21057	3.1
245.22639	4.5
247.20560	13.9
247.24321	0.5
248.20813	0.3
255.21007	0.8
257.22635	2.1
259.20490	0.4
259.24203	1.0
261.22128	1.3
269.22556	1.3
271.24222	3.2
273.25595	0.6
275.23669	0.6
283.24258	1.2
285.25748	2.1
287.23660	0.4
292.14828	0.3
294.77423	0.3
297.25659	1.2
299.27081	0.4
301.25305	0.3
309.25638	0.3
311.27277	1.0
315.26730	0.5
323.27310	0.5
329.28497	1.2
337.28787	0.6
341.28232	0.5
351.30573	0.6
355.30081	0.5
360.95056	0.2
365.31924	0.3
369.31287	0.3
407.15289	0.3
407.36707	17.5
408.36948	0.3
414.89597	0.3
425.37753	100.0
426.38040	1.7
427.38419	0.4
443.38895	4.2
455.22253	0.3
548.34357	0.3
589.32428	0.3
605.97754	0.3
630.49640	0.3
688.79779	0.3
735.28296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.7
69.03420	2.2
69.07083	0.4
69.86974	1.9
69.88634	0.3
73.02921	2.7
73.89666	0.3
79.05505	1.5
81.03435	1.6
81.07066	1.4
83.01127	0.7
83.04989	0.5
84.00098	0.4
85.02908	4.4
90.98710	0.3
91.03958	3.1
91.05489	1.0
93.07057	1.8
95.01094	0.9
95.08624	1.1
97.02901	3.7
99.04480	1.3
101.02403	1.6
105.07048	0.6
107.08569	0.5
109.02878	0.7
109.10161	0.8
116.97422	0.4
117.05530	0.4
119.08592	0.6
121.10148	0.8
125.02162	0.8
127.03896	1.6
127.11195	0.5
129.05458	0.9
133.10222	0.5
135.11703	0.7
139.03802	0.4
141.05333	0.5
145.05061	0.5
147.11725	0.5
157.04807	0.8
169.04822	0.6
177.88768	0.3
185.04228	2.7
196.57701	0.4
201.03714	2.4
201.14862	0.4
203.05347	1.3
227.05341	0.5
241.06743	0.5
243.08501	1.3
257.06458	1.4
259.08063	1.1
272.66492	0.4
275.07471	0.5
285.09686	0.5
299.07269	0.5
301.08932	4.4
313.09094	0.4
315.10574	1.1
319.10153	1.7
327.10623	0.4
329.08420	1.4
329.12079	0.5
335.26028	0.6
347.09491	10.8
363.08981	5.0
365.10834	1.2
369.14987	0.4
373.11365	0.5
383.16785	0.5
385.18259	2.4
397.18436	0.5
405.08658	0.8
405.13644	6.0
405.62604	0.4
421.13358	0.7
432.17780	0.5
439.20026	0.4
456.69278	0.4
463.14243	10.2
475.14026	0.6
477.15628	2.3
483.34634	0.6
491.17035	0.4
503.17438	0.9
509.23544	0.5
517.19348	1.1
519.20941	0.9
519.29187	4.9
531.20984	0.9
533.22296	0.9
535.16443	3.4
535.28741	0.5
545.22711	1.2
547.23657	6.0
549.18213	0.9
577.20880	0.4
577.29132	0.9
579.93195	0.4
591.22742	1.3
591.31677	0.9
602.76807	0.4
607.31024	0.5
611.26648	0.6
619.25879	1.1
629.24762	0.7
631.25348	2.2
645.39594	0.7
647.25244	0.4
661.39423	0.9
671.28973	1.2
675.31989	0.5
681.34570	8.5
685.30951	0.9
697.33984	0.8
701.43115	0.5
711.32184	0.9
715.34949	0.7
740.35742	4.7
741.36346	0.5
753.36658	4.3
763.42822	0.5
767.38208	0.6
769.40515	0.5
772.35065	0.5
781.40125	1.7
795.41736	1.1
809.43060	0.7
823.44855	4.0
824.45593	2.9
837.45465	0.8
841.45453	0.6
865.45996	1.1
879.46411	0.8
880.47668	0.7
907.46252	2.2
908.47864	1.2
925.47632	100.0
926.47620	2.4
938.66071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62350	0.4
67.05513	2.3
69.03434	3.1
69.07071	0.7
70.23981	1.3
71.04974	0.4
73.02921	2.8
76.34669	0.3
79.05499	1.9
81.03407	2.0
81.07046	2.1
83.08622	0.5
85.02905	6.3
91.03975	3.0
91.05502	1.1
93.07038	2.0
95.01149	0.6
95.08611	1.9
97.02908	4.5
99.04470	1.0
101.02402	1.5
103.04002	0.4
105.07023	1.0
107.08604	1.6
109.02883	0.8
109.10175	1.0
117.05512	0.4
117.07079	0.7
119.08554	0.7
121.10175	0.9
125.02123	0.4
127.03885	2.0
129.05519	0.6
131.01869	0.4
131.08548	0.5
133.10143	0.6
135.11720	0.5
145.04984	0.8
147.11705	0.5
157.04811	0.7
185.04230	2.3
201.03712	2.5
203.05254	2.0
227.05351	0.4
243.08432	2.1
257.06427	1.2
259.08032	0.8
267.16086	0.4
301.08920	2.4
310.82364	0.3
315.10590	1.3
319.10178	1.1
327.10483	0.4
329.08542	0.9
335.25818	0.6
347.09503	11.2
363.08981	6.6
365.10779	1.1
369.15378	0.7
383.17001	0.6
385.18500	1.1
405.13690	5.1
412.57391	0.4
413.17722	0.5
463.14261	7.1
463.20932	0.5
467.19110	0.5
477.15909	2.4
479.14130	0.6
489.16110	0.7
505.19202	0.3
517.18903	0.5
519.20813	1.2
519.29517	4.4
531.20544	1.0
533.22333	0.8
535.16266	3.0
545.22260	1.0
547.23364	3.9
549.18152	0.8
563.19757	0.5
577.30127	0.8
579.31482	0.6
591.22882	1.3
591.31287	0.6
617.23883	0.6
619.25934	1.2
625.28796	0.5
631.25323	1.7
645.27802	0.4
651.29895	0.6
657.79730	0.3
661.39203	0.7
671.29199	1.0
675.32141	0.9
681.34570	11.0
685.30341	0.6
691.40533	0.5
711.32941	0.4
740.35931	6.3
753.36731	4.2
755.37921	0.4
767.38220	1.2
769.40167	0.6
781.39685	1.6
795.41516	0.9
823.44733	3.4
824.45349	3.5
841.45453	0.7
863.47137	0.6
865.45300	0.5
879.47375	0.7
907.46698	2.0
908.47235	0.9
925.47504	100.0
926.48010	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	925.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	0.4
67.05505	3.0
69.03426	3.1
69.07069	2.6
69.33844	2.1
71.01392	1.0
71.05025	0.4
71.25403	0.2
73.02914	4.5
79.05498	1.7
81.03465	1.0
81.07060	6.2
83.01366	0.4
83.08676	1.0
85.02906	16.1
87.04498	0.4
88.67574	0.2
91.03956	8.9
91.05476	2.2
93.07048	3.7
95.01329	2.9
95.04983	0.5
95.08604	10.0
97.02892	9.2
97.10224	0.7
98.21434	0.6
99.00842	0.3
99.04517	0.9
101.02436	1.0
103.04003	0.8
105.07035	5.3
107.05019	0.9
107.08598	6.4
109.02937	1.1
109.06589	0.4
109.10162	6.4
110.10570	0.3
113.02435	1.1
114.02057	0.2
115.03972	0.8
117.07063	0.4
119.08582	8.2
121.06556	1.0
121.10137	4.3
123.08158	0.3
123.11716	3.1
127.03917	5.7
131.03439	0.6
131.08609	0.8
132.31683	0.3
133.06505	5.4
133.07443	0.3
133.10136	3.7
135.08119	0.8
135.11694	3.4
137.09642	0.6
137.13277	2.1
139.03941	0.4
141.01830	12.9
141.07053	0.3
143.08633	0.5
145.04962	7.4
145.06258	0.3
145.06616	0.4
145.10210	1.1
147.08037	3.6
147.09035	0.3
147.11694	3.5
149.09685	0.5
149.13271	2.9
151.14885	0.5
157.10237	1.1
159.02905	2.9
159.08064	1.9
159.11761	0.9
161.09639	3.1
161.13252	4.5
161.14368	0.3
163.06013	15.2
163.14885	0.8
169.10236	0.6
171.08081	0.8
171.11740	0.8
173.09604	1.3
173.13336	1.0
174.10471	0.3
175.11185	9.2
175.14734	2.1
177.03970	0.3
177.12746	2.0
177.16461	0.4
183.11748	0.6
183.91106	0.3
185.09555	0.4
185.11012	0.3
185.13283	0.3
187.11313	1.0
187.14896	1.1
188.12015	0.3
189.12752	5.7
189.14510	0.3
189.14876	0.4
189.16348	2.8
191.14359	0.5
191.18045	0.9
197.13342	0.3
199.11203	0.3
199.14920	0.4
200.12007	0.4
201.12839	1.1
201.16461	1.0
203.14316	17.7
203.18050	0.7
204.14626	0.3
205.15936	0.7
205.19507	0.3
213.16423	1.0
215.14337	2.2
215.18069	1.1
217.15880	18.1
217.19585	1.5
227.14310	0.6
227.18056	0.6
229.15872	5.0
229.19444	0.4
231.17609	0.6
241.15862	1.8
241.19589	0.4
243.17462	4.5
243.21179	0.4
253.19574	0.6
255.17456	3.4
257.19006	4.4
269.18994	1.9
271.20587	2.0
283.20563	1.0
283.68906	0.3
285.06076	0.5
297.22247	0.7
303.07129	0.4
321.08154	1.2
325.11063	0.6
335.64194	0.3
339.09293	1.4
382.28769	0.7
389.31949	0.5
401.77554	0.3
407.33093	61.6
408.33496	1.7
425.34131	100.0
426.34546	2.7
468.58737	0.3
577.76599	0.3
601.37347	27.2
602.37280	1.6
763.42542	10.1
764.42395	1.0
880.32715	0.3
925.47992	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	930.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	57.3
69.03413	3.3
69.07067	9.0
69.75385	2.0
69.75801	4.0
71.04994	5.0
71.08633	17.9
71.95601	1.1
73.02901	2.9
79.05495	7.7
81.03417	6.8
81.07060	19.7
83.04984	2.3
83.08623	13.6
85.02911	8.9
85.06546	1.2
85.09801	1.1
85.10193	10.6
87.04471	41.1
91.03960	4.2
91.05484	5.7
93.07038	3.9
95.04957	1.8
95.08063	1.4
95.08608	16.2
97.02881	4.7
97.06518	1.4
97.10173	11.6
99.04453	7.2
107.04944	1.2
107.08585	4.3
109.10159	51.5
111.04462	1.9
111.08056	1.9
115.03925	1.3
119.08548	2.9
121.10130	1.6
123.04440	1.2
123.11710	1.9
125.09618	4.5
127.03900	2.1
131.08606	1.1
137.09589	2.9
137.13220	1.0
141.65671	1.1
145.10072	1.5
155.10634	4.3
160.94203	1.0
163.05997	2.4
163.11217	1.4
173.04454	1.2
173.11748	16.3
193.12289	1.4
199.13211	3.9
211.13368	1.2
227.12724	2.6
229.14352	57.5
239.23656	4.0
241.14397	1.2
257.13855	2.4
257.24832	2.0
267.15872	5.8
283.15533	1.7
313.27362	73.6
314.27609	2.0
315.17960	10.0
327.28702	1.5
341.26883	4.5
353.03922	1.1
398.05917	1.0
414.83939	1.1
437.36212	1.8
441.78653	1.2
455.37332	9.8
467.37369	100.0
468.37598	1.5
505.38959	1.5
507.39682	1.1
524.40210	2.2
525.40698	1.9
553.40692	2.9
571.41772	1.7
721.49445	1.1
930.50537	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	932.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.5
67.05509	34.2
69.03429	2.0
69.06727	0.8
69.07076	10.0
71.04987	1.6
71.08639	16.3
71.13464	0.5
71.13805	1.0
73.02917	2.4
79.05501	17.6
81.07063	34.0
81.51474	0.5
83.04997	1.3
83.08630	8.2
85.02427	1.1
85.02906	14.0
85.06549	1.4
85.10188	10.7
89.06034	0.9
89.36945	0.5
91.03968	9.3
91.05479	8.8
93.07050	23.4
95.04970	0.9
95.08613	35.9
97.02905	7.7
97.06519	0.6
97.10180	4.1
99.08076	0.7
103.07598	0.8
105.04514	1.0
105.07037	7.7
107.08601	13.0
109.06511	1.1
109.10163	17.6
111.08111	1.1
111.11696	0.8
115.03879	0.6
117.07000	3.1
119.08583	7.1
121.10154	12.3
123.11714	5.2
127.03941	4.5
131.08578	7.0
133.10141	5.3
135.11710	8.0
137.13254	2.4
145.04964	5.3
145.10135	5.1
147.11679	4.3
149.13289	5.6
151.14833	1.2
159.11745	4.5
161.13321	3.4
163.06006	8.1
163.14851	4.5
165.12761	0.7
165.16422	0.6
173.13280	4.3
175.14821	1.5
177.16418	2.0
187.14885	1.9
201.16347	0.8
233.22633	1.5
239.23732	2.7
243.21138	9.5
257.24814	1.8
261.22171	36.6
279.23123	0.8
313.27383	100.0
317.24796	5.9
335.25821	78.2
336.26297	1.3
398.87607	0.7
492.73154	0.6
499.45435	0.7
573.48822	43.6
574.49139	1.0
591.49890	13.3
612.55249	0.6
793.04773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.0
67.05499	49.3
69.03413	10.9
69.07069	31.1
70.60433	2.5
71.04980	6.5
71.53597	4.7
73.02904	4.4
79.05486	51.3
81.03416	49.1
81.07051	60.7
83.04981	21.3
83.08615	33.2
85.02901	32.2
85.06553	2.9
91.03941	7.0
91.05482	52.2
93.07034	46.6
95.04967	30.8
95.08601	29.9
97.02884	17.9
97.06522	10.5
97.10147	15.6
105.07027	38.0
107.04959	17.5
107.08582	32.0
109.02888	2.4
109.06496	6.6
109.10129	17.2
111.08080	11.0
113.06019	2.6
117.07022	12.6
119.04884	2.8
119.08577	33.3
121.06511	9.0
121.10156	16.3
123.08068	8.9
123.11694	5.3
125.09641	10.8
128.06171	2.5
129.07002	16.9
131.08549	19.6
133.06487	8.7
133.10107	24.8
135.08044	4.8
135.11671	7.8
137.09612	5.7
142.07690	2.7
143.08553	7.5
145.10129	19.3
147.08044	11.9
147.11678	20.4
149.09601	9.5
151.11185	7.1
157.10129	14.2
159.11723	7.1
161.09650	4.8
161.13268	4.8
163.11166	10.4
171.10159	2.7
171.11595	3.5
173.13309	2.7
175.11177	15.5
177.12639	3.2
183.11632	2.5
189.11185	6.0
193.12227	35.4
195.11609	2.3
195.13705	2.5
211.13274	48.4
223.13210	18.9
227.12833	12.3
231.81825	2.3
245.19003	3.1
249.14890	5.7
253.14304	10.7
267.15912	39.2
273.18451	22.8
275.20016	8.8
279.03470	2.1
283.15363	18.2
285.16968	45.9
291.19519	96.4
305.32330	2.1
347.21973	6.1
349.23721	7.0
365.23206	51.1
407.32950	5.7
408.44687	2.8
425.34082	6.0
463.26871	5.2
477.28635	17.8
495.29236	5.3
539.33514	6.7
557.34698	74.7
575.35742	100.0
639.33435	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	935.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05403	3.3
67.05793	0.6
69.03326	2.8
69.03732	0.4
69.07007	0.3
69.29044	2.1
71.01269	0.6
71.04918	0.4
71.08532	1.0
73.02807	2.8
73.03251	0.5
79.05373	0.4
81.03300	1.6
81.06938	1.4
83.08495	0.9
83.08964	0.4
85.02783	5.6
85.10082	0.8
91.03831	3.1
91.04455	0.6
91.05408	0.3
95.08485	1.3
97.02773	5.1
97.10092	0.6
99.04319	0.9
101.02368	1.6
103.03845	0.5
107.08510	0.3
109.02741	0.8
109.10154	3.9
115.03868	0.6
119.08514	0.6
127.03919	2.0
135.11526	0.3
145.04865	0.6
155.10637	0.6
158.27565	0.3
173.11745	1.6
185.04089	1.0
195.09753	0.6
201.03740	0.3
203.05154	0.7
216.29013	0.3
229.14374	1.4
243.08444	1.9
251.12553	0.3
281.13535	0.3
313.27258	0.9
347.09506	3.5
363.08862	0.6
365.10428	1.2
405.13715	5.7
413.17847	11.2
497.30786	6.6
499.21600	0.5
575.23145	14.8
576.23334	0.4
592.33350	0.3
631.79553	0.3
659.36127	9.4
669.41858	4.3
831.47101	100.0
832.47339	2.5
889.50970	0.8
917.51117	0.9
935.51776	37.2
936.51550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.7
67.05507	64.1
69.03433	11.9
69.07061	27.8
71.04990	8.4
71.53468	2.8
73.02909	5.2
79.05068	3.5
79.05493	59.1
81.03419	73.7
81.06586	4.5
81.07056	87.4
83.04984	29.1
83.08616	35.3
85.02905	40.4
85.06519	3.5
88.89001	1.9
91.03939	7.1
91.05481	72.6
93.06474	4.5
93.07037	55.7
95.04964	32.0
95.08600	30.7
97.02895	13.2
97.06525	14.6
97.10172	11.4
99.08063	5.5
105.07036	50.3
107.04971	18.9
107.08595	37.8
109.02877	4.2
109.06506	11.4
109.10139	12.5
111.04415	3.7
111.08097	13.5
113.05959	2.9
115.05438	3.5
115.63634	1.8
117.07008	16.2
119.08582	44.4
121.06491	7.3
121.10141	26.0
123.08060	5.9
123.11695	6.7
125.09626	7.8
127.03893	7.2
129.06996	14.1
131.08578	27.1
133.06471	4.8
133.10132	29.1
135.08043	5.6
135.11726	12.2
137.09598	4.7
139.03899	3.1
142.07800	4.7
143.08534	4.9
145.05019	2.3
145.10101	14.7
146.71471	2.3
147.08054	6.1
147.11676	28.1
149.09598	18.1
149.13240	10.7
155.08553	2.9
157.10139	16.8
159.11690	13.5
161.09668	3.0
161.13278	3.8
163.05907	1.9
163.11142	9.2
165.12727	3.4
169.10129	2.5
171.11700	2.9
173.04402	3.2
173.13274	5.5
175.11177	19.0
177.12643	2.5
183.11613	2.9
185.13301	2.8
187.14944	2.6
189.11130	3.1
193.12259	52.8
195.13779	4.4
195.38293	2.1
197.13277	2.4
211.13286	67.6
227.12752	8.2
245.13902	2.8
247.20723	2.1
253.14142	2.3
255.15869	9.3
257.18942	7.9
267.15891	47.3
269.17456	27.0
275.20062	37.9
285.16937	81.1
331.22705	3.7
349.23727	32.6
367.24664	2.6
413.21494	3.4
419.24640	2.9
436.88962	2.4
439.26807	4.3
443.27618	3.3
447.27371	15.1
449.30630	3.1
455.26450	4.1
461.29013	36.8
465.28516	22.4
477.28140	2.6
479.30020	100.0
519.33521	2.7
541.35223	32.3
554.38538	2.2
559.36310	62.8
577.37427	15.8
601.36749	2.7
623.34076	7.7
672.05292	2.3
703.39850	4.1
721.40961	3.1
883.74744	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	936.516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	71.6
69.03419	12.6
69.07056	31.7
71.04986	10.3
71.08636	4.5
71.53837	6.1
73.02912	8.2
79.05070	4.9
79.05495	71.2
81.03419	55.8
81.07058	82.5
83.04985	30.4
83.08622	34.3
85.02514	3.7
85.02916	45.5
85.06548	5.0
87.97686	3.3
91.03956	7.8
91.05486	100.0
91.11748	3.8
93.07052	76.2
95.04980	37.5
95.08611	37.0
97.02882	14.8
97.06545	9.3
97.10151	10.3
99.08093	5.5
103.05437	3.7
104.41660	3.8
105.07032	82.9
107.04940	15.8
107.08591	43.3
109.06490	13.8
109.10170	16.3
111.08091	13.1
115.05416	5.7
117.07005	21.2
119.08585	76.3
121.06486	7.2
121.10155	31.0
123.08083	11.3
123.11681	6.7
125.09609	9.7
125.42938	4.0
127.03951	7.8
128.06279	3.8
129.05467	9.2
129.06996	26.3
131.08592	29.6
133.06487	6.0
133.10146	50.2
135.08049	6.3
135.11694	19.7
137.09631	5.2
143.08560	11.8
145.04991	4.4
145.10100	23.6
147.11700	47.4
149.09622	13.7
149.13261	10.9
151.11191	4.8
155.08524	5.9
157.10080	24.7
159.11691	19.5
161.09619	4.1
161.13345	16.8
163.11212	8.6
165.12723	4.9
169.10159	3.9
171.10297	3.7
171.11714	10.0
173.13243	11.1
175.11169	20.1
175.14853	5.1
185.13225	5.3
186.94359	4.0
193.12238	61.6
195.11771	4.1
195.13698	5.5
211.13277	65.3
213.16370	3.9
225.12778	3.7
227.12785	11.1
241.19492	13.3
257.19083	8.7
259.20569	49.0
267.15918	29.7
269.17532	20.8
275.20090	17.8
283.15335	12.2
285.16949	64.8
293.21109	12.2
301.16507	12.0
315.23334	6.2
333.24268	29.4
349.23660	8.8
461.28973	11.2
477.28125	7.6
479.29977	30.8
525.35840	26.4
541.35132	7.7
543.36847	48.3
559.36420	24.0
577.37183	14.7
687.41211	4.2
871.93237	3.8
875.51453	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.7
67.05503	90.1
69.03422	14.4
69.07070	38.0
70.06593	4.1
71.01404	3.3
71.04986	11.2
71.53918	5.5
73.02911	9.3
73.37280	3.5
79.05491	100.0
81.03423	54.4
81.06585	5.3
81.07056	91.8
83.04975	25.8
83.08617	35.2
85.02902	45.6
85.06538	5.2
87.52386	3.6
91.03943	17.8
91.05476	98.7
93.07043	90.8
95.04969	34.4
95.08611	53.6
97.02898	17.7
97.06544	19.8
97.10178	10.6
98.07283	6.9
99.04441	4.4
105.07036	88.9
106.07296	5.0
107.04939	15.2
107.08601	45.0
109.06499	12.7
109.10151	33.0
111.08082	11.1
113.06032	4.3
115.05408	5.3
116.04700	6.1
117.07018	33.5
119.07806	6.6
119.08589	82.0
121.06538	6.0
121.10133	29.3
122.48486	3.5
123.08045	14.4
123.11667	6.2
125.09624	20.0
127.03895	10.3
128.06190	3.7
129.05508	19.3
129.06993	25.0
131.08569	50.0
133.10132	71.6
135.08067	7.5
135.11716	27.7
137.09636	6.5
137.13347	3.8
139.03900	4.5
142.07678	4.8
143.08574	13.2
145.04930	7.0
145.06477	4.0
145.10127	29.0
147.08063	6.4
147.11671	71.1
149.09595	14.1
149.13245	12.9
151.11182	5.3
155.08540	7.1
157.08748	7.5
157.10106	29.8
159.11720	28.1
161.13284	25.2
163.11156	12.2
165.12744	5.5
169.10106	8.1
171.10301	5.4
171.11617	19.0
173.11858	4.3
173.13235	15.6
175.11128	12.0
175.14804	12.4
177.12779	5.9
183.11653	4.9
185.13225	17.0
189.11182	6.7
193.12231	51.9
199.14813	4.7
201.12889	4.4
211.13245	51.4
211.15047	5.8
212.13693	3.9
213.16441	5.8
227.12697	8.5
229.14267	5.4
231.21066	7.3
239.18033	7.1
241.19559	27.8
257.18988	11.9
259.20547	75.5
267.09213	4.5
267.15869	27.1
269.17480	19.1
275.20084	29.0
283.15302	7.6
285.10300	3.6
285.16983	52.3
293.21240	5.9
301.16528	41.1
313.21634	4.3
315.23254	8.0
331.22852	4.9
333.24246	48.1
349.23737	12.3
421.25702	8.8
439.26959	4.3
451.31964	4.8
461.28790	8.4
479.30051	25.4
525.35754	26.7
541.23352	4.1
541.35101	8.8
543.36823	44.1
551.55933	4.3
559.36194	35.3
577.36774	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	936.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.4
67.05506	63.6
69.03423	3.9
69.06726	1.0
69.07072	13.6
71.04987	4.0
71.54964	1.0
73.02908	3.0
79.05492	47.1
81.03419	82.9
81.07056	63.7
83.04988	5.6
83.08148	1.3
83.08624	22.1
85.02902	9.5
85.06532	3.0
91.03969	6.0
91.05479	36.3
93.07044	45.3
95.04971	29.1
95.08607	48.6
95.68555	0.8
97.02891	6.1
97.06524	4.6
97.10162	8.8
99.04552	0.8
99.08112	1.4
105.04530	1.3
105.07034	27.6
107.04960	9.1
107.08599	31.4
109.02888	0.8
109.06505	5.3
109.10155	23.6
111.04467	1.9
111.08076	8.2
113.09636	0.8
115.05450	1.3
116.31358	0.7
117.07014	9.2
119.04955	1.4
119.08584	25.9
121.06476	5.0
121.09319	1.5
121.10146	24.5
123.04433	2.5
123.08105	3.9
123.11706	7.5
125.09649	6.2
127.03893	3.5
128.06250	1.8
129.07013	10.8
131.08568	23.4
133.05615	1.0
133.06494	3.6
133.10133	15.3
135.08029	2.3
135.11682	14.8
137.09602	3.0
137.13222	2.4
139.03868	0.9
139.11118	1.2
141.06979	1.2
142.07756	3.4
143.08560	3.4
145.04951	2.5
145.10103	11.8
147.04431	1.4
147.08026	4.0
147.11685	14.8
149.09612	6.5
149.13274	8.2
151.14868	0.8
155.08514	1.7
157.10127	10.0
159.08043	1.2
159.11685	10.4
161.13269	5.7
163.06018	5.0
163.11171	2.9
163.14851	4.9
163.51028	0.8
165.12773	3.2
169.10077	1.7
171.10281	0.9
171.11671	2.5
173.13243	7.8
175.11189	10.4
175.14816	2.9
177.16315	1.7
185.13214	1.9
187.14807	3.2
189.05432	1.0
189.11195	3.3
189.12738	1.3
191.14381	1.1
193.12248	22.1
195.11707	1.4
197.13327	1.2
199.14743	1.0
201.16400	1.5
205.12202	1.0
207.13684	1.5
209.13451	0.9
211.13271	1.4
213.16603	0.8
223.13235	1.4
227.12788	8.8
233.15198	0.8
235.13326	2.3
243.21098	5.6
247.16791	1.2
249.14848	2.5
259.13434	1.3
259.20654	1.0
261.22137	23.4
267.15921	94.3
273.14944	1.3
279.23181	1.5
283.24097	0.8
285.22110	1.6
301.14331	2.0
301.25229	6.6
309.17050	4.0
317.24670	2.9
333.17099	1.3
335.25797	100.0
336.25903	1.1
341.24713	0.8
345.24454	1.0
417.26175	0.9
421.25705	3.3
423.27509	0.8
435.27213	3.6
435.32587	4.5
438.54657	0.8
449.29031	1.7
453.33575	8.2
454.49493	0.9
461.28195	1.0
471.34744	5.1
501.35693	1.0
509.35983	2.6
527.37335	80.8
528.38110	1.2
545.38367	88.5
546.38538	1.1
559.39789	3.1
569.38373	14.8
577.40881	1.2
587.39294	2.6
593.38196	1.5
611.39136	3.2
612.10565	0.8
617.38196	0.8
623.39197	3.5
635.38855	5.4
653.40924	4.5
671.41602	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	936.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.1
67.05510	52.0
69.03440	3.6
69.06721	0.9
69.07075	11.6
71.04988	3.5
73.02921	2.3
75.17367	0.5
77.03902	0.7
79.05498	36.2
81.03423	79.8
81.07060	55.4
83.04973	6.2
83.08622	22.7
85.02908	8.8
85.06547	2.8
87.04471	0.7
91.03962	7.0
91.05486	32.6
93.07050	44.9
95.04974	29.8
95.05446	0.5
95.08610	42.9
97.02898	7.0
97.06526	5.4
97.10181	7.9
98.21628	1.0
99.04456	1.0
99.08109	1.6
105.04546	0.6
105.07035	24.3
107.04957	7.4
107.07863	1.3
107.08599	26.2
109.02903	1.1
109.06535	4.0
109.10161	18.2
111.04455	1.9
111.08076	7.1
113.05908	0.5
113.09635	1.3
115.05477	1.7
117.07016	9.3
119.04938	0.8
119.08590	27.1
121.06517	4.9
121.10147	24.1
123.04446	2.3
123.08067	3.1
123.11703	7.1
125.09634	5.8
127.03920	2.1
128.06175	0.6
129.07011	12.3
130.07761	0.6
131.04878	0.6
131.08575	19.5
133.06531	4.1
133.10135	16.4
135.08070	2.0
135.11697	14.1
135.12709	1.0
137.06001	0.7
137.09613	2.5
137.13287	2.5
139.11177	0.9
141.06989	0.9
142.07797	2.2
143.08516	2.7
145.04980	2.7
145.06387	0.6
145.10129	11.8
147.04381	1.1
147.08063	3.8
147.11699	13.2
149.09633	7.0
149.13278	8.0
151.11177	1.3
151.14822	0.6
155.08514	1.5
156.09340	0.5
157.10150	12.9
159.08109	0.8
159.11708	7.0
161.05927	0.7
161.09657	1.6
161.13277	5.2
163.06017	5.5
163.11151	3.6
163.14870	3.7
165.12794	2.5
169.10161	2.3
171.10287	0.8
171.11633	3.0
173.09654	1.0
173.13274	7.5
175.11205	10.8
175.14786	2.9
177.12781	1.0
177.16374	1.2
181.10054	0.8
183.11632	1.3
185.09644	0.6
185.13312	2.8
187.14845	3.5
189.11261	3.0
189.12718	0.7
189.16423	0.9
193.12253	24.6
195.11748	1.2
195.13844	0.8
197.13484	0.8
199.14812	1.0
201.12697	0.7
201.16461	1.6
203.14354	1.2
205.12215	1.3
205.15988	0.9
207.13911	0.8
209.13167	1.0
211.13316	1.6
219.17511	0.8
223.13235	0.8
227.12808	8.4
227.16280	0.7
233.15372	0.8
235.13313	2.1
243.16013	1.1
243.21161	5.4
247.17012	0.8
249.14958	2.5
249.18398	0.6
259.13327	2.4
259.20679	0.9
261.22171	17.6
267.15930	100.0
268.16367	1.4
273.14847	1.2
277.14294	0.6
279.23233	1.1
283.24152	0.7
285.17029	0.8
285.22205	1.3
299.23767	1.9
301.14346	1.8
301.25259	5.4
303.23419	0.8
309.17014	4.1
315.23199	0.8
317.24811	3.1
319.15466	1.0
333.16931	1.1
335.25818	79.4
336.26285	0.6
357.27969	0.9
359.25867	0.8
375.17831	0.9
403.24649	1.1
417.26288	1.1
417.31415	1.3
421.25793	4.4
435.27359	3.8
435.32639	6.2
449.28922	1.3
453.27945	0.8
453.33795	7.7
461.28732	0.9
463.30225	0.7
471.34717	4.8
509.36456	2.6
527.37360	75.0
528.37793	1.5
545.38403	89.3
546.38641	1.5
559.39764	3.0
561.20825	0.6
569.38257	8.6
577.41125	3.5
587.39209	1.7
611.39636	1.6
623.39441	3.4
635.39374	3.9
653.40167	3.0
671.41827	3.3
925.63617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.0
69.03429	3.1
69.07075	0.5
69.87106	0.3
69.87504	0.2
71.01353	0.5
71.05002	0.5
71.08639	0.6
73.02914	3.3
73.03301	0.2
75.04480	0.1
76.18697	0.1
79.05477	1.3
80.94858	0.7
81.03412	1.2
81.07056	2.0
82.94563	0.2
83.08630	0.4
85.02898	5.3
85.10195	0.5
87.04462	0.3
89.06079	0.2
91.03948	3.3
91.05466	0.7
93.07040	1.4
95.04944	0.2
95.08611	2.2
97.02888	5.0
97.03517	0.3
97.10166	0.2
99.04443	0.7
101.02386	1.8
103.03976	0.3
104.99263	1.0
105.07053	0.3
107.08603	0.5
109.02867	0.9
109.10150	0.9
109.53447	0.1
112.23573	0.1
115.03925	0.4
117.07056	0.3
119.08581	0.5
121.10120	0.6
123.11747	0.3
127.03925	1.7
131.08559	0.3
133.10176	0.3
135.11746	0.3
145.04987	0.4
149.13271	0.2
153.48618	0.1
164.92131	0.4
171.73627	0.1
185.04189	0.9
186.99600	0.3
201.03775	0.2
203.05257	0.7
239.23729	0.2
241.06824	0.1
243.08359	1.8
244.95486	0.4
268.99979	0.2
270.21985	0.1
276.45901	0.1
286.99109	0.4
305.08578	0.2
313.27231	0.6
335.26065	0.4
347.09494	2.2
363.09198	0.4
365.10480	1.1
405.13669	5.1
475.14749	0.1
476.48831	0.1
497.30826	3.9
497.37759	0.2
519.29254	5.7
519.37122	0.3
584.70135	0.1
659.36127	3.8
681.34515	6.2
730.58740	0.2
775.53046	1.1
797.51770	0.2
819.85736	0.1
851.35101	0.1
877.47540	0.2
879.48462	0.2
937.58533	100.0
938.58850	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	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22897	0.3
67.05499	2.2
68.37023	0.3
69.03435	3.8
69.07069	0.5
69.12823	0.3
71.01379	0.5
71.04992	0.6
71.06661	0.6
71.06981	0.3
71.08640	0.5
73.02923	3.3
79.05506	1.3
81.03425	1.5
81.07063	2.4
83.08629	0.8
85.02911	4.9
85.10180	0.4
87.04459	0.5
91.03967	3.3
91.05500	0.6
93.07046	1.7
95.08615	2.1
97.02903	5.2
99.04485	0.9
101.02366	1.6
101.98563	0.2
105.07025	0.6
107.08596	0.7
109.02928	0.8
109.10197	1.0
113.76923	0.3
115.03944	0.6
117.07081	0.4
121.10153	0.4
127.03926	1.4
131.08586	0.4
135.11734	0.3
160.73628	0.3
173.13472	0.3
185.04317	0.8
203.05342	1.0
214.48384	0.3
243.08549	1.3
281.23492	0.3
313.27383	0.4
335.25513	0.5
347.09482	2.8
363.09241	0.5
365.10782	1.2
405.13644	5.4
405.18594	0.4
497.31006	4.2
519.29303	6.5
639.56824	0.3
659.36090	3.8
681.34637	6.6
690.61792	0.3
775.53046	1.3
937.58624	100.0
938.58508	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	940.584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	20.8
69.03443	2.2
69.06725	1.5
69.07072	20.5
71.05006	1.6
71.08636	3.7
71.54722	1.0
73.02900	0.9
79.05491	9.5
81.03420	58.6
81.07058	24.4
83.04980	3.5
83.08620	25.9
85.02901	4.5
85.06538	1.4
85.10175	1.0
91.03974	2.2
91.05488	9.6
93.07041	11.1
95.04969	19.1
95.08049	1.6
95.08613	20.6
97.02898	3.2
97.06544	2.7
97.10179	11.1
101.05952	1.1
105.07014	7.0
107.04971	3.9
107.08601	6.4
109.06526	2.4
109.10147	10.0
111.04444	1.1
111.08079	4.7
111.11720	3.5
119.04905	1.1
119.08585	7.0
121.06511	2.3
121.10152	11.6
123.04483	1.9
123.08073	1.2
123.11723	1.6
125.09598	1.5
127.03964	1.2
129.07004	5.2
131.08559	5.8
133.06552	2.1
133.10132	2.9
133.22757	0.9
135.11693	6.8
137.13275	1.8
142.07800	1.7
145.04985	1.3
145.10124	1.5
147.04460	1.1
147.08078	3.0
147.11693	3.5
149.09647	2.8
149.13275	1.4
157.10106	6.0
163.06041	3.0
165.12837	1.1
165.16414	0.9
175.11133	5.4
193.12241	21.0
211.13490	1.2
235.13379	1.3
241.66719	0.9
249.14903	2.3
259.13303	1.9
265.25327	2.7
267.15924	100.0
301.14667	2.2
309.16925	3.6
335.08920	1.0
339.28949	86.9
339.82184	1.0
457.36911	1.1
531.40454	84.1
532.40808	2.0
549.41541	20.7
563.42780	1.3
573.41516	6.2
591.42249	1.4
627.42444	2.7
639.42371	1.8
657.43604	2.9
675.44446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.2
67.05500	0.6
68.99792	0.3
69.03432	39.4
71.01363	1.4
71.04998	9.0
71.53653	0.3
73.02910	1.1
75.09965	0.2
76.22592	0.2
81.03428	2.3
81.07067	0.2
83.04984	18.9
85.02908	21.0
87.04473	7.2
91.03948	0.3
91.05483	5.1
91.33205	0.2
93.07030	0.3
95.04990	1.7
97.02287	0.5
97.02892	5.9
99.04469	1.6
101.02386	0.2
101.06017	0.4
103.03942	0.2
105.07046	0.3
107.04957	0.8
109.02892	2.7
111.00824	0.2
111.04446	17.9
113.06003	1.6
115.03923	0.6
119.04945	13.8
119.55836	0.2
121.02865	1.6
121.06538	0.2
121.10139	0.2
123.04396	0.3
125.02367	0.6
127.03910	4.2
129.05484	43.1
131.04976	0.2
133.04968	0.6
133.06477	0.3
137.02371	0.2
137.05986	0.3
141.06987	0.4
145.04970	2.8
145.06499	0.3
147.04414	100.0
148.04753	0.8
149.05910	0.2
151.03889	0.5
151.07576	0.3
153.01877	1.1
153.05505	0.2
157.06480	0.6
159.08015	0.3
159.65352	0.2
161.06026	0.3
161.09694	0.3
163.06094	0.3
165.01825	0.6
165.05516	1.9
167.07066	0.4
169.06448	0.3
171.06543	1.1
171.07915	0.3
173.05994	0.5
173.08127	1.3
175.03877	0.4
175.07539	0.2
177.05450	0.5
179.05553	0.3
181.04884	0.3
183.02945	0.3
185.06010	0.9
187.06001	0.3
187.07552	0.9
189.07588	30.7
201.05508	0.4
203.07036	1.0
207.06425	0.2
213.05476	0.8
215.07031	0.5
229.08572	0.6
231.06543	4.3
237.07582	0.4
241.04939	0.4
243.06430	0.3
255.08768	1.1
257.08252	0.2
258.05389	0.3
259.06079	0.2
261.07645	0.6
273.07462	2.0
273.10120	0.2
287.05505	38.2
291.08640	12.5
303.04977	1.0
309.09698	25.8
333.11627	0.4
335.11301	0.7
351.12964	0.9
382.60434	0.2
479.15524	0.4
497.16602	1.0
595.13715	0.5
748.45398	0.3
945.34930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.8
68.99793	1.7
69.03430	1.0
69.07076	1.6
69.48956	1.8
71.04994	0.6
73.02917	0.3
78.82755	0.2
79.05497	4.4
81.03422	7.6
81.07058	5.5
83.04993	3.0
83.08624	3.5
83.53233	0.2
85.02908	3.5
91.05486	5.3
93.03418	1.5
93.07057	2.9
95.04977	3.5
95.08624	2.7
97.02928	1.1
97.03448	0.2
97.06546	0.6
97.10178	0.9
99.08086	0.3
102.22045	0.2
103.05486	0.7
105.07030	3.4
107.04967	1.4
107.08624	1.5
109.02880	0.3
109.06525	0.6
109.10150	0.8
111.04447	5.5
111.08073	1.3
113.05998	0.4
115.05468	0.7
117.07023	0.7
119.04992	0.4
119.08594	2.9
121.02871	1.1
121.06508	1.0
121.10155	1.3
123.04427	4.0
123.08065	0.6
123.11671	0.4
125.09626	0.3
125.58214	0.2
127.03942	1.1
129.07016	2.0
131.04907	0.8
131.08583	1.8
133.06464	0.6
133.10126	1.8
135.04445	2.0
135.11696	0.4
136.10266	0.2
137.05983	0.9
137.09566	0.3
139.03911	100.0
140.04236	0.8
141.05426	0.7
141.07045	0.6
142.07803	0.3
143.04944	0.3
143.08514	0.4
145.06487	0.8
145.10132	0.8
147.04402	1.0
147.08008	0.4
147.11679	2.0
149.05995	2.2
149.09612	1.1
151.03908	6.6
152.06192	0.4
153.05447	1.1
153.06938	0.6
155.04857	0.3
155.08565	0.5
156.81270	0.3
157.06525	0.8
157.10136	2.0
159.08000	0.4
161.05994	4.9
161.09711	0.3
163.03912	39.7
163.07555	0.8
163.11200	0.4
165.05486	1.3
165.06886	0.5
165.09215	0.2
165.12804	0.3
167.03419	0.3
167.08566	1.0
169.06502	0.7
171.08063	0.7
173.05997	8.6
175.03905	1.1
175.07564	1.6
175.11165	2.0
177.05479	5.1
179.03412	1.1
179.07072	0.5
179.08514	0.5
181.04956	3.7
181.06505	1.5
183.08072	0.9
185.05952	1.0
186.06723	0.2
187.03964	2.0
187.07556	5.8
189.05476	2.3
189.09109	0.3
191.03400	0.5
191.07025	0.6
193.04927	0.4
193.06552	0.4
193.12247	5.4
195.08130	1.2
195.11745	0.3
197.06021	1.4
197.09708	0.5
198.06776	0.3
199.07552	5.0
200.04727	0.3
201.05461	2.5
201.09184	1.7
203.03329	0.3
203.07051	0.5
205.04970	9.5
207.08070	0.4
209.05975	0.5
209.09576	0.3
210.06731	0.5
211.07564	2.9
211.13286	7.9
212.08224	0.4
213.05547	1.8
213.09140	2.3
214.06270	0.3
215.06956	1.3
217.04970	1.2
221.09630	0.4
223.07544	1.3
225.05339	0.3
225.09077	1.4
226.06253	0.3
227.07060	1.5
227.10571	0.6
227.12682	0.6
229.04939	2.1
229.08540	0.4
229.14311	0.3
235.05844	1.7
235.11250	0.3
237.09148	0.6
239.06990	0.6
239.10677	0.5
241.08595	0.4
247.05905	1.9
251.07089	0.5
251.10835	0.4
251.14314	0.3
253.08571	0.3
255.13702	0.3
265.07056	1.0
267.09259	0.5
267.13879	0.4
267.16019	4.4
269.15289	0.7
271.06049	0.3
275.06894	0.3
279.13867	0.4
281.15411	0.4
283.08249	4.3
283.12762	0.4
283.15521	0.4
285.10040	0.6
285.17020	12.2
287.13043	0.3
287.16284	0.5
291.13763	0.3
293.08173	0.5
293.15207	0.5
295.06070	1.4
295.13293	0.4
297.15024	1.3
299.16299	0.6
301.09201	9.8
301.14236	0.5
303.06659	0.3
305.07974	0.3
307.13364	0.3
308.06714	0.8
309.07632	0.6
309.14746	0.6
311.16333	0.6
313.07034	0.7
313.14355	0.7
315.15918	4.9
317.08075	0.6
321.07532	1.3
321.14685	0.7
322.08319	0.4
323.09119	0.3
323.16400	0.5
325.14304	1.0
327.15884	2.2
333.16953	0.3
335.09021	0.7
339.15942	3.3
341.17551	0.6
349.17322	0.3
353.17184	0.3
355.15189	0.3
357.16040	0.8
359.18549	1.1
365.17444	0.3
371.18616	0.6
383.18488	0.5
387.18152	0.4
389.19601	2.3
395.18387	0.6
399.17978	0.5
401.19714	1.4
413.19498	1.5
419.19592	0.3
421.16479	3.8
429.16940	0.4
443.35980	0.3
447.12009	0.4
447.18002	5.2
459.17865	0.3
465.19156	3.1
477.18845	0.5
489.19196	0.3
489.26212	0.4
492.91815	0.3
495.19482	0.7
513.18597	0.5
513.26135	0.5
521.21307	0.7
531.19849	0.3
531.27258	0.6
539.22620	1.9
549.28149	0.3
551.29376	0.7
557.23230	0.4
563.29749	0.5
569.31213	1.1
575.29883	0.5
579.29346	0.4
581.31207	2.0
585.29980	0.4
587.29993	0.3
593.31006	1.8
597.29913	0.3
599.32477	2.4
605.30963	1.4
609.30603	0.4
611.32104	2.7
623.32434	1.7
627.30872	0.8
629.32611	0.7
639.29272	0.4
641.32458	1.1
657.30475	0.5
687.30640	0.8
705.32391	2.4
713.33185	1.7
723.34009	1.2
731.34265	3.7
749.23944	0.3
749.35406	4.2
767.35999	1.4
773.35358	0.4
967.93372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	0.4
67.05510	8.8
68.99775	2.3
69.03429	1.4
69.07071	1.3
71.04997	1.2
71.53952	0.7
77.03928	0.5
79.05064	0.6
79.05496	7.8
81.03421	14.1
81.07063	8.3
81.97534	0.4
83.04991	3.8
83.08622	5.2
85.02911	4.9
85.06554	0.5
91.05481	10.0
93.03410	1.6
93.07063	5.7
95.01365	0.4
95.04976	6.5
95.08602	3.8
95.62603	0.4
97.02911	2.2
97.06532	1.4
97.10165	1.4
99.04412	0.4
99.08072	0.5
103.05485	1.1
105.06394	0.5
105.07040	6.0
107.04957	3.8
107.08605	3.0
109.02879	0.7
109.06543	1.2
109.10149	1.3
111.04450	5.4
111.08083	2.5
113.05991	0.4
115.05478	1.2
117.07022	1.7
118.41380	0.4
119.08598	4.9
121.02882	1.4
121.06503	1.0
121.10156	2.3
123.04448	2.3
123.08054	1.0
123.11752	0.5
125.09630	0.5
127.03928	0.7
128.06232	0.6
129.07022	4.1
131.04877	0.9
131.08586	4.8
133.06497	1.3
133.10162	3.6
135.04434	3.9
135.11726	0.7
137.05988	1.3
137.09636	0.6
139.03911	100.0
140.04279	1.4
141.04372	0.4
141.07008	1.1
142.07780	1.1
143.08537	0.5
144.05763	0.5
145.06512	1.4
145.10147	1.3
147.04422	3.6
147.08038	1.9
147.11693	3.4
149.05975	2.7
149.09627	2.1
151.03911	8.7
151.05119	0.6
153.05501	0.5
153.06976	0.9
153.12756	0.4
157.06514	1.8
157.10149	3.8
159.04437	1.0
159.08095	1.6
159.11780	0.5
161.05978	5.4
161.09657	0.5
163.03920	38.2
163.11240	0.7
164.04323	0.9
165.05472	1.2
165.06924	0.6
165.12776	0.6
167.08568	0.9
169.06540	0.7
169.10162	0.5
171.04482	1.0
171.08087	0.7
173.05978	3.9
173.09637	1.2
175.03876	2.3
175.07565	1.1
175.11194	2.5
176.04691	0.5
177.05482	5.9
179.03438	0.8
181.04994	4.8
181.06505	1.0
183.08121	1.1
185.05968	2.6
185.09680	0.6
187.03955	2.3
187.07599	4.1
189.05493	2.2
191.03471	0.5
191.07082	0.7
193.10477	0.6
193.12251	9.1
195.08095	1.3
197.05956	1.9
197.09541	0.6
198.06737	0.5
199.03885	0.4
199.07521	2.2
201.05481	2.9
201.09198	1.1
203.07018	1.2
205.04982	9.9
207.08188	0.5
209.06096	0.7
211.07596	1.8
211.13309	15.9
213.05460	0.5
213.09200	1.3
215.07106	1.3
217.05022	1.3
219.06487	0.5
223.07643	1.2
225.05574	0.8
225.09125	0.7
227.07068	1.1
229.05014	1.7
235.05910	2.4
237.05411	0.5
237.09172	1.1
241.05006	0.6
247.05939	2.5
251.07129	0.7
253.08757	0.5
261.09119	0.9
263.07004	0.7
265.07187	1.5
267.06503	0.5
267.15952	7.3
269.15268	0.9
271.05981	0.8
275.07327	0.8
277.08575	1.0
281.08273	0.5
283.08176	6.8
283.15503	1.0
285.16995	21.1
289.08569	0.9
291.06482	0.6
292.07404	0.5
293.15460	0.9
295.06155	1.0
297.14960	4.0
299.16516	1.2
301.09207	13.3
302.09622	0.6
305.07974	1.8
306.08969	0.7
307.06158	0.5
308.06772	0.8
309.07568	3.1
311.16602	0.6
315.15921	4.4
317.08289	0.5
319.09506	0.5
321.07748	0.6
321.14853	0.8
323.09216	0.7
323.16333	0.5
327.16040	0.9
333.07565	1.5
334.08429	4.1
335.09171	0.9
335.16324	0.7
339.16092	1.2
347.09158	2.4
349.10815	0.5
353.17535	0.6
358.08472	0.5
361.10608	0.7
377.17838	0.5
401.19290	0.7
413.19778	0.6
417.17096	0.7
419.18820	0.8
429.16931	0.8
431.18375	0.8
445.16470	4.8
447.18060	60.2
448.18445	1.2
459.18381	0.9
463.17615	3.0
465.19113	4.8
471.18149	3.1
477.19159	1.1
483.18176	0.5
485.19739	3.0
487.21365	0.5
489.19449	0.7
489.26309	0.7
501.19638	0.8
501.26270	0.5
503.20688	7.0
509.20099	0.4
513.19183	2.5
519.20630	0.5
521.21796	13.4
531.20044	0.4
537.20502	1.7
539.22528	2.3
545.21881	1.4
555.20050	1.1
563.30426	0.5
569.21143	0.5
573.20764	0.7
575.29749	1.7
581.31219	0.7
587.22626	1.1
593.30908	2.5
605.31104	1.9
611.31952	1.5
613.27368	0.5
621.28662	1.9
623.31891	1.5
639.29364	3.9
657.30243	1.3
663.29156	0.6
669.30542	0.7
687.31146	1.5
695.32104	2.6
713.33179	15.0
731.34326	25.5
732.34467	0.7
737.33252	1.1
749.35455	6.1
752.50177	0.5
755.34570	1.3
767.34912	0.9
779.34119	0.9
797.35248	1.5
821.36334	0.5
839.35687	0.8
857.36810	0.8
875.37408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96514	0.2
67.05172	0.4
67.05510	5.1
67.05873	0.3
68.99782	1.8
69.00072	0.2
69.03426	1.5
69.07071	1.3
69.12425	0.2
71.01359	0.3
71.05001	0.7
73.95876	0.2
77.32855	0.2
78.70630	0.2
79.05495	4.7
79.05959	0.2
81.03422	7.6
81.07061	5.1
83.04989	2.9
83.08623	3.2
85.02906	3.7
85.06535	0.4
85.07693	0.2
91.05485	5.8
93.03416	1.2
93.07037	3.4
95.04970	3.9
95.08611	1.9
97.02914	1.4
97.06490	1.0
97.10169	0.9
98.21455	0.5
99.08152	0.4
103.05465	0.8
103.08955	0.2
105.04565	0.2
105.07027	3.9
105.07681	0.3
107.04969	1.7
107.08614	1.7
109.02846	0.4
109.06499	0.8
109.10149	1.2
111.00869	0.2
111.04443	5.2
111.08090	1.3
115.05425	1.1
117.07022	0.7
119.08591	2.8
121.02864	1.2
121.06537	0.9
121.10152	1.5
123.04427	3.8
123.08060	0.6
125.09604	0.5
127.03899	1.2
128.06187	0.4
129.07001	2.2
131.04944	1.0
131.08580	2.0
133.06491	0.7
133.10162	2.1
135.04414	1.9
135.08112	0.3
135.11737	0.3
137.05998	0.9
137.09619	0.3
139.03906	100.0
140.04254	0.5
141.05438	0.7
141.06984	0.7
142.07777	0.3
143.08511	0.4
145.06508	1.0
145.10155	0.6
147.04408	0.9
147.08054	0.7
147.11703	2.2
149.05988	2.9
149.09631	1.0
151.03909	5.8
151.07579	0.2
153.05479	1.5
153.06998	0.8
155.08514	0.4
157.06509	1.0
157.10165	1.9
159.04388	0.5
159.08110	0.2
160.05214	0.4
161.05977	5.9
163.03912	36.8
163.07568	0.8
163.11209	0.5
165.05496	1.5
165.06944	0.5
165.12837	0.4
167.04788	0.2
167.07132	0.3
167.08560	0.6
169.05203	0.3
169.06393	1.2
171.08064	0.6
173.05988	10.6
173.09573	0.4
175.03972	1.3
175.07533	1.8
175.11223	1.6
176.04755	0.2
177.05490	4.1
179.03395	1.3
179.08559	0.5
181.04976	3.6
181.06541	1.4
181.10100	0.3
183.08076	0.7
185.05971	1.2
187.03957	2.1
187.07545	6.0
189.05418	2.2
189.09140	0.5
191.03444	0.4
191.07005	0.7
191.08594	0.3
193.05016	0.4
193.06570	0.4
193.12254	6.1
194.07422	0.2
195.08051	1.4
195.11627	0.3
197.05963	1.7
197.09634	0.4
199.07541	4.6
200.04648	0.4
201.05492	2.6
201.09070	1.9
203.07051	1.0
205.04961	8.1
207.08092	0.5
209.06041	0.4
209.09573	0.4
210.06778	0.4
211.07588	3.0
211.13303	9.3
212.08360	0.5
213.05562	2.2
213.09135	3.5
214.06291	0.3
215.06992	1.2
217.04988	0.7
221.09659	0.3
223.07594	1.2
224.08128	0.3
225.05457	0.6
225.09155	1.1
226.06294	0.4
227.07065	1.7
227.10616	0.6
227.12785	0.5
229.04956	2.3
229.08485	0.5
229.14301	0.2
233.09601	0.3
235.05820	1.3
237.05426	0.3
237.09230	1.1
239.07039	0.7
239.10612	0.5
243.06572	0.3
247.05933	2.3
249.09166	0.4
249.12859	0.3
251.07178	0.3
251.10770	0.4
251.14241	0.5
253.05095	0.3
253.12216	0.4
255.06306	0.3
261.09238	0.3
263.07144	0.3
265.07034	1.1
265.12067	0.3
267.06750	0.2
267.13763	0.4
267.16028	3.8
269.15372	1.0
275.06931	0.4
277.08716	0.3
279.06635	0.3
279.13693	0.5
281.15317	0.5
283.08273	3.9
283.15570	0.6
285.17032	12.5
287.16376	0.6
293.15244	0.5
295.06012	1.7
295.13138	0.3
297.07565	0.3
297.14780	1.5
299.16470	0.6
301.09198	8.5
301.14386	0.5
305.08310	0.4
307.08188	0.4
307.13263	0.4
308.06760	1.3
309.07565	1.1
309.14853	0.6
311.16461	0.5
313.06995	1.1
313.14276	0.8
315.15945	5.2
317.08035	0.4
321.07657	1.4
321.14911	0.6
323.09073	0.6
323.16425	0.6
325.14368	0.8
327.15921	2.7
333.07446	0.4
335.09134	1.2
337.18015	0.4
339.15903	2.4
341.17587	0.6
343.15369	0.3
347.09335	0.3
351.15826	0.3
353.17471	0.5
357.17090	0.3
359.18634	2.1
371.18524	0.5
383.18518	0.2
389.19601	2.2
399.17838	0.3
401.19598	1.3
405.16635	0.3
413.19446	0.8
419.19769	0.3
421.16489	4.3
429.16470	0.5
445.16312	0.4
446.33243	0.2
447.17981	5.5
459.25131	0.6
463.17197	0.4
465.19098	3.2
471.18130	0.4
477.19064	0.4
489.25879	0.7
495.19989	0.9
495.26590	0.3
503.20529	0.6
513.19135	0.4
521.21881	1.5
527.20679	0.3
531.27472	0.3
537.29083	0.3
539.22852	1.9
549.28711	0.3
551.30206	1.1
557.23511	0.4
563.30164	0.4
567.29608	0.3
569.31171	2.0
575.30145	0.6
579.29309	0.3
581.31213	2.0
585.31287	0.4
587.30621	0.3
593.31256	1.9
599.32153	2.3
605.30865	1.0
609.30835	0.3
611.32129	2.6
623.32019	1.1
627.31219	0.8
629.32404	0.7
639.29602	0.6
641.32697	0.7
669.29321	0.3
687.31195	0.9
695.32593	0.6
705.32513	1.9
713.33057	1.7
723.33557	1.1
731.34344	3.8
749.23553	0.4
749.35333	4.9
750.35321	0.3
767.36554	2.4
773.34772	0.4
797.34039	0.5
857.37054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	100.0
68.43205	1.3
69.03434	16.5
69.07073	49.6
71.01353	2.3
71.04989	8.1
73.02907	6.6
75.28381	1.3
76.55569	1.4
77.03921	1.7
79.05495	86.2
81.02932	2.3
81.03423	77.8
81.07061	94.1
83.04987	31.3
83.08154	2.5
83.08624	35.6
85.02909	41.3
85.06548	7.1
91.03977	9.9
91.05484	92.1
93.07047	75.8
95.04973	40.2
95.08607	51.0
97.02892	18.8
97.05907	2.3
97.06530	29.7
97.10168	19.5
99.04412	3.7
99.08059	4.7
103.05479	1.6
105.04501	2.1
105.07038	73.0
107.04960	21.1
107.08600	35.8
109.02854	4.5
109.06536	12.2
109.10162	37.8
111.04436	5.4
111.08088	16.6
113.05987	4.5
115.05453	4.1
116.04697	3.5
116.06201	1.7
117.07024	18.6
119.04974	2.7
119.08585	47.5
120.45038	1.5
120.48488	1.3
121.06488	8.4
121.10142	24.0
123.04433	2.1
123.08074	13.4
123.11722	4.1
125.09624	15.4
127.03912	5.2
127.11195	1.5
128.06215	1.7
129.05515	12.1
129.07024	16.9
131.04836	1.5
131.08577	33.3
133.06491	5.5
133.10135	42.1
135.08057	6.9
135.11711	15.5
136.08780	1.5
137.05997	1.6
137.09624	19.4
139.07471	1.6
141.06972	2.5
142.07802	4.4
143.07063	2.0
143.08540	7.6
145.04959	2.7
145.06462	2.7
145.10121	21.4
147.08104	7.0
147.11685	30.0
149.09613	25.8
149.13269	8.0
151.07486	1.6
151.11185	5.4
152.84531	1.4
153.09111	2.2
155.08569	3.5
155.10721	2.6
157.08745	2.8
157.10130	23.8
159.08055	2.0
159.11707	13.8
161.09573	2.4
161.13240	6.3
163.06038	2.8
163.11201	12.1
165.12726	4.5
169.10168	3.0
171.10182	3.9
171.11688	5.7
173.04474	2.2
173.11737	8.6
173.13264	5.8
175.11205	19.0
177.12767	5.8
179.14381	3.0
181.12224	1.9
183.11795	2.3
185.13332	2.2
187.11136	3.9
187.14818	1.5
189.11212	6.4
189.12680	3.4
191.10666	2.0
193.12260	46.2
195.11740	1.5
195.13843	3.4
197.13200	1.8
199.13287	3.1
205.12085	1.5
209.11749	2.5
211.13290	54.4
211.15271	3.1
223.13329	4.1
227.12752	10.1
229.14365	13.7
233.15306	2.0
233.18813	1.6
239.17848	2.4
243.15895	5.2
247.20732	2.9
253.14339	2.7
255.15875	12.1
257.18958	7.1
259.20474	1.6
267.15906	30.2
269.17401	9.7
273.18661	7.0
275.20056	32.0
285.16971	40.3
287.26566	1.4
291.19528	7.6
293.21051	4.0
297.16821	1.5
301.16479	19.3
329.21182	1.7
331.22714	2.3
347.22031	2.3
349.23767	46.0
365.23203	4.5
376.29489	1.4
381.22711	2.4
421.25821	8.6
423.27246	4.4
435.27063	3.1
439.26917	27.3
447.27347	4.5
453.28339	4.5
461.29022	3.8
463.30713	2.6
465.28326	3.0
477.28271	4.8
479.29947	3.5
481.28040	4.3
495.29428	12.2
539.34015	1.6
541.35431	19.8
557.34473	5.1
559.36328	41.1
575.35730	14.5
577.37073	5.9
593.36279	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	954.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	62.1
69.03439	2.4
69.07067	14.1
71.04996	2.4
71.08631	0.9
73.02914	4.1
73.70594	0.3
77.03919	0.7
79.05492	39.2
80.20207	0.3
81.03427	1.3
81.07056	64.5
83.04990	1.3
83.08618	8.0
85.02905	18.2
85.06536	2.3
87.04472	0.4
91.03957	11.4
91.05480	26.5
93.07043	48.9
95.04975	3.5
95.08605	48.2
96.04478	0.5
97.02892	9.6
97.06526	2.8
97.10167	3.2
99.04459	0.9
99.08091	1.5
100.63011	0.3
101.02372	0.5
102.14780	0.3
103.05480	0.7
105.04567	1.6
105.07029	20.5
107.04982	0.6
107.08593	27.0
109.02890	0.8
109.06535	1.8
109.10157	24.7
111.08096	1.5
111.11738	0.8
113.09646	0.6
115.03946	0.9
115.05453	0.8
117.05538	0.3
117.07018	7.4
119.08580	17.7
121.06528	0.3
121.10142	23.7
123.08076	1.3
123.11708	8.6
125.09644	0.9
127.03915	5.2
128.06224	0.6
129.05501	0.7
129.06970	2.1
130.07753	0.6
131.08572	13.7
133.09108	0.8
133.10129	15.2
135.08076	0.5
135.11691	16.1
137.09665	1.0
137.13255	2.9
139.11162	0.8
141.07027	0.6
141.12817	0.4
143.08546	1.9
144.06548	0.5
145.04958	5.8
145.10121	11.6
147.10503	0.6
147.11682	11.9
149.09598	0.9
149.13255	9.0
151.11169	0.5
151.14830	1.2
155.08574	0.6
157.10130	2.3
159.11699	10.2
161.13252	8.4
162.07726	0.4
163.06027	7.7
163.07385	0.5
163.11182	0.6
163.14824	4.8
165.12735	0.4
169.10115	0.8
171.11668	2.4
173.13258	8.8
175.14813	3.8
177.12746	0.5
177.16368	1.6
179.14287	0.7
180.08664	0.5
183.11823	0.7
185.13237	2.6
187.14819	4.4
189.12779	0.3
189.16377	1.2
191.17989	0.5
195.11667	0.4
197.13351	0.5
199.14874	1.8
201.16344	2.2
203.18027	1.0
205.15967	0.3
211.14813	0.8
213.16435	1.2
215.18001	1.3
217.19495	0.8
219.17467	0.4
227.16345	0.5
229.19519	0.5
229.62854	0.4
231.17526	0.4
231.21138	1.0
233.18961	0.3
233.22620	1.1
239.18011	0.4
241.19609	3.9
243.21098	6.1
245.18776	0.3
245.22650	0.8
247.20712	0.3
257.18997	0.6
259.20578	11.2
261.22147	20.9
263.23679	2.3
273.22113	0.7
277.21710	0.8
279.23178	0.7
281.20972	0.3
285.22055	0.5
287.23563	0.5
299.23709	0.9
301.22015	0.4
301.25220	0.6
303.23279	0.5
305.21216	0.3
305.24631	0.4
313.25171	0.5
315.23193	1.1
315.26755	0.5
317.24838	3.6
319.26285	0.4
321.23965	0.4
327.23172	0.4
327.26837	0.5
333.05844	0.3
333.24268	9.2
335.25790	100.0
336.26138	1.1
337.27350	14.2
349.27573	0.5
351.25272	0.4
361.27493	0.4
363.28922	0.4
373.27112	0.3
375.29221	0.3
415.31970	0.3
451.35629	0.5
489.35715	0.7
491.37320	0.4
497.30603	0.4
503.42288	1.0
505.38852	0.5
515.37372	0.4
517.38995	0.4
521.43610	2.8
529.39014	0.7
531.40295	0.8
539.44763	1.6
543.40027	1.0
557.42383	0.5
595.47211	18.4
613.48267	29.4
614.48450	0.8
659.36316	0.4
757.52087	0.3
831.85907	0.3
954.58453	5.1
955.60724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
69.03441	2.6
69.07091	0.6
71.01376	0.7
71.04975	0.3
71.54356	0.2
73.02930	3.2
74.09270	0.2
75.04512	0.3
79.05507	2.1
81.03430	0.9
81.07052	2.2
85.02914	5.1
85.09053	0.2
91.03970	3.1
91.05474	1.6
93.07069	2.7
94.81988	0.2
95.08612	2.7
97.02905	5.1
99.04489	0.8
101.02388	1.4
103.04000	0.3
105.07065	0.8
107.08646	0.8
109.02925	0.6
109.10191	1.0
115.03963	0.4
117.07008	0.2
119.08636	0.8
121.10178	1.1
123.11766	0.3
127.03918	1.4
130.98328	0.2
131.08583	0.4
133.10139	0.6
134.97279	0.2
135.11745	0.7
135.68327	0.2
145.05075	0.5
149.13297	0.4
161.33527	0.2
171.61578	0.3
177.12553	0.3
185.04268	1.0
201.03839	0.3
203.05330	0.7
204.01837	0.2
243.08392	1.4
335.25824	0.5
347.09473	1.9
352.65735	0.3
361.11200	0.3
363.09183	0.4
365.10870	1.0
405.13666	4.8
456.35855	0.3
519.29285	7.2
681.34686	8.8
730.88422	0.3
797.52264	0.6
871.99084	0.3
923.76141	0.3
959.57068	100.0
960.57092	2.8
979.96436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.9
67.85757	0.2
68.99780	0.3
69.03429	4.3
69.07066	2.0
71.01360	1.1
71.04982	0.6
73.02918	12.8
75.04443	0.3
79.05501	1.2
81.03432	2.4
81.07060	4.5
82.06582	0.5
83.01346	0.6
83.08623	0.8
83.66599	0.2
85.02904	48.8
86.03225	0.2
87.04465	0.8
91.03954	43.7
91.05488	1.0
93.07055	3.4
95.01329	14.3
95.04943	0.4
95.08607	35.0
97.02892	30.6
97.06501	0.3
97.10162	0.7
98.21521	0.5
99.00809	1.5
99.04453	2.5
101.02375	1.5
103.03934	4.2
105.06373	0.4
105.07027	3.0
107.08581	4.0
109.02865	1.9
109.06522	0.7
109.10160	4.1
113.02355	2.8
115.03930	2.4
117.05503	0.8
117.07007	0.3
119.08574	3.2
121.06557	0.3
121.10134	4.0
123.00717	1.1
123.08080	0.2
123.11705	2.1
127.03915	26.0
129.06941	0.2
131.03413	1.4
131.08545	1.4
133.10129	2.8
135.11699	2.1
137.09602	0.6
137.13240	2.1
139.03888	0.8
141.01825	69.6
142.02238	0.4
143.08563	0.7
145.04956	32.9
145.10112	1.6
147.08083	0.5
147.11684	2.1
149.09532	0.3
149.13249	2.6
153.09052	0.6
157.10167	1.0
159.02893	20.7
159.08058	0.6
159.11693	2.3
161.09676	0.5
161.13214	1.6
163.06010	100.0
163.14842	0.7
164.06424	0.4
166.78786	0.2
169.10129	0.3
171.11714	0.7
171.19513	0.2
173.09552	0.3
173.13268	1.0
174.03514	0.3
175.11200	0.4
175.14828	1.4
177.03957	3.9
177.05345	0.4
177.12830	0.3
177.16367	0.7
181.07053	0.3
183.11749	0.3
185.13293	0.7
187.11191	0.5
187.14871	1.3
189.12778	0.8
189.16368	3.6
191.14366	0.2
191.17926	4.0
193.15790	0.3
197.13350	0.5
199.14813	0.7
201.12840	0.3
201.16371	1.9
203.14322	2.0
203.17917	2.4
204.08751	0.9
205.15904	0.6
205.19594	0.4
209.13258	0.3
213.16339	0.6
215.14383	0.5
215.17923	0.8
217.15845	1.7
217.19528	0.7
227.14230	0.3
227.17989	0.7
229.06993	0.4
229.15909	1.2
229.19495	1.0
231.05003	0.3
233.15401	0.6
237.16412	0.4
239.17921	0.4
241.15886	0.5
241.19366	0.5
243.21175	0.3
245.19090	0.4
247.08281	0.5
249.06067	0.3
253.19528	0.3
255.17491	1.0
255.21066	0.4
257.19089	1.1
258.09793	0.5
269.19086	0.5
269.22446	0.4
271.20657	0.6
283.20642	0.5
285.06079	4.7
303.07083	2.9
311.23676	0.4
313.25259	3.1
321.08160	12.1
325.11456	1.0
339.09222	20.9
357.10245	0.7
365.09613	0.2
379.33649	0.5
389.31842	2.1
407.33090	35.3
408.33502	0.3
425.34152	17.4
426.34384	0.3
730.33862	0.3
848.13763	0.3
960.48193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05223	0.9
67.05516	9.5
68.99801	2.3
69.03443	6.2
69.07068	2.7
70.68440	2.2
71.04987	1.9
73.02927	0.8
79.05503	9.6
81.02979	1.1
81.03427	13.1
81.07067	9.1
83.01384	0.7
83.04969	2.1
83.08624	3.1
83.65140	0.8
85.02916	2.8
85.06549	1.3
91.03946	1.6
91.05481	8.3
91.56006	0.7
93.03441	1.0
93.07048	7.0
95.04980	9.5
95.08618	6.0
97.02899	2.9
97.06530	2.2
97.10184	2.8
103.05446	1.9
105.07032	5.0
107.04953	1.8
107.08615	3.5
109.02866	0.9
109.06522	1.8
109.10173	2.8
111.04440	4.2
111.08096	1.8
115.05434	1.9
117.07024	2.3
119.08601	4.5
121.02863	1.2
121.06487	1.6
121.10199	4.3
123.04446	6.2
123.08057	2.2
123.11691	1.1
125.09636	2.1
127.03911	2.6
129.07022	2.9
131.04962	1.7
131.08577	3.1
133.06512	2.0
133.10155	1.8
135.04387	1.3
135.08046	1.3
135.11720	2.3
137.05984	2.7
137.09645	1.4
139.03918	100.0
141.01840	1.2
141.05431	1.5
141.07016	1.7
143.04848	1.2
143.08600	1.2
145.04918	1.5
145.06493	1.7
145.10130	1.1
147.04405	2.7
147.08047	2.0
147.11699	0.9
149.05975	4.3
149.09653	1.8
151.03929	7.1
153.05492	6.4
153.06731	1.0
155.08588	1.1
157.06517	1.5
157.10173	2.9
159.02945	0.8
159.04413	0.9
161.05980	9.0
161.09650	0.8
163.03926	36.2
163.06093	2.3
163.07457	1.8
165.05515	17.7
165.06894	1.5
167.07150	1.6
167.08606	1.6
169.06549	1.6
169.10213	0.9
171.04341	1.0
171.08118	0.8
173.05986	16.5
175.03958	4.4
175.07568	3.2
175.11226	2.2
177.05490	11.5
177.09093	0.9
179.03442	2.3
179.07074	5.2
181.04942	2.5
181.06546	3.1
183.08041	2.2
185.06026	2.7
187.03931	3.4
187.07602	11.7
189.05470	8.1
191.03343	1.2
191.07022	1.9
193.06496	1.1
193.12274	3.8
195.08089	2.3
197.06003	3.4
197.09673	0.9
198.06827	1.1
199.03908	0.9
199.07564	8.8
200.04752	1.5
201.05519	7.2
201.09129	3.4
203.07106	4.7
205.05008	6.8
205.08603	1.2
207.08185	1.2
209.09624	1.1
210.06876	1.0
211.07539	7.1
211.13287	1.1
213.05542	6.8
213.09052	4.5
215.07031	2.2
217.05000	1.9
217.08591	1.3
223.07567	3.4
225.05489	0.9
225.09145	2.6
226.06203	1.0
227.07079	3.8
227.10620	1.0
227.12819	1.2
229.05003	1.8
229.08698	1.4
231.06384	1.6
237.09085	1.7
239.07082	1.5
249.09215	1.2
255.06750	0.9
265.07047	1.3
265.12405	1.2
267.13641	0.9
267.16000	13.3
269.15305	1.8
273.17157	1.4
279.13760	1.2
283.08282	3.7
285.10184	0.9
285.14832	2.2
287.16446	1.2
295.06088	1.2
297.14822	2.3
299.16599	1.1
301.09207	4.8
301.14520	1.4
307.06097	0.9
308.06812	1.3
309.07596	1.8
311.16455	0.9
313.06894	1.0
313.14511	2.0
315.15997	7.7
319.05942	0.9
321.07791	1.2
321.14801	1.6
325.14389	4.7
327.16006	4.2
331.15549	2.0
333.16922	1.3
335.09225	1.9
337.18140	0.9
339.15942	4.4
343.15662	1.2
349.16364	0.8
357.16998	1.7
359.18607	1.8
361.18008	1.8
381.16675	0.8
387.18115	1.0
389.19745	2.5
399.18250	1.8
401.19519	1.3
413.19507	1.6
421.16504	3.3
425.34100	0.9
429.17554	1.0
447.18048	4.4
459.18430	0.9
463.17654	1.3
465.19073	3.7
488.22610	2.3
489.19351	0.9
503.20410	0.9
513.26331	1.1
521.21613	1.7
531.27527	1.5
539.22992	1.7
563.30298	1.3
567.29877	1.5
575.29541	1.0
579.29797	2.2
581.30939	5.6
585.30090	1.3
587.30042	2.2
591.29700	1.1
593.31201	7.7
605.31293	5.9
607.33746	0.8
609.30573	2.2
611.32300	3.8
619.78821	0.8
621.28162	1.4
623.32562	4.8
639.29443	3.3
657.30493	2.1
666.89575	0.8
669.31061	1.0
687.31647	2.5
695.32245	2.1
703.34186	1.0
705.31958	2.9
713.33289	9.3
731.34326	23.7
737.34094	1.5
745.34723	1.5
749.21844	0.8
749.35358	13.7
759.60785	0.8
763.36676	7.0
779.33807	1.1
781.37762	6.7
815.36859	0.9
817.84509	0.8
827.35712	1.0
839.35358	0.9
893.38495	0.9
925.42468	0.9
961.47229	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	964.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	42.1
69.03429	8.7
69.07069	21.1
71.01337	1.0
71.04981	3.5
71.07260	2.2
71.08633	24.3
73.02915	2.1
79.05494	26.7
81.03418	11.2
81.07057	59.7
83.04983	7.6
83.08619	17.7
85.02907	10.5
85.06532	3.7
85.10186	14.9
89.06013	1.9
91.03975	4.6
91.05482	21.3
93.07044	36.4
95.04976	7.8
95.08609	38.4
97.02887	8.4
97.06551	10.8
97.10175	8.1
98.17075	0.9
99.04446	1.9
99.08090	2.7
103.05444	1.2
105.07040	19.8
107.04972	6.2
107.08596	22.2
109.02869	2.3
109.06516	3.6
109.10155	19.8
111.04413	1.2
111.08089	3.2
117.07027	12.0
119.08573	14.1
121.06516	4.5
121.10140	11.1
123.08057	3.7
123.11714	6.3
125.09604	2.5
125.13249	1.0
127.03899	5.2
128.06209	1.0
129.05469	2.5
129.06990	3.3
131.08575	14.7
133.06458	1.2
133.10115	15.6
135.08032	3.0
135.11707	10.4
137.09618	1.8
137.13234	1.4
137.29782	0.9
139.17213	1.0
141.07050	1.0
143.08540	1.9
145.04977	3.0
145.06471	1.0
145.10129	10.9
147.11684	6.9
149.09636	11.7
149.13268	9.5
151.11220	1.7
153.09128	0.9
155.08586	1.1
157.10101	2.5
159.11682	11.2
161.09579	1.1
161.13258	3.0
163.06047	2.4
163.11201	5.2
165.12831	1.5
165.16403	0.9
169.10106	1.9
171.11755	1.5
173.04521	3.0
173.13287	4.1
173.28532	0.9
175.11092	1.0
177.12744	3.9
179.14325	1.1
183.11691	1.6
187.11134	1.3
189.11134	1.9
195.13808	4.9
197.13205	1.2
199.14764	1.5
217.15869	2.7
219.13855	1.0
227.12752	4.3
229.14360	2.7
229.19527	1.3
239.18005	2.0
239.23689	3.5
247.20505	1.8
251.16365	1.0
255.15916	16.6
257.19101	5.9
257.24774	2.7
267.15945	3.3
269.17490	35.1
275.17001	1.0
275.20047	20.3
293.17609	2.1
293.21106	2.7
299.19925	1.0
309.20605	3.2
313.27368	100.0
314.27579	1.3
331.22644	3.3
349.23737	30.5
367.20990	1.0
367.24857	5.9
413.21582	3.7
419.24200	1.2
467.37192	2.8
483.37097	1.3
493.28043	1.5
493.38928	21.9
507.40479	99.3
508.40622	2.8
511.29034	1.1
547.43561	9.5
569.45398	1.7
587.46704	47.3
588.46112	1.5
605.47681	13.6
627.40417	1.3
651.44513	3.6
731.50745	1.7
749.51385	2.7
782.38794	1.2
800.06873	1.1
833.59412	0.9
911.25110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	100.0
69.03429	14.7
69.07068	43.7
70.65228	3.3
70.65594	1.9
71.01357	3.2
71.04981	8.6
73.02911	12.6
77.03930	3.2
79.05492	55.8
80.06251	1.3
81.03419	34.5
81.07056	75.5
82.04192	5.7
83.04987	22.0
83.08141	2.1
83.08620	26.0
85.02900	22.2
85.06538	4.7
87.04446	1.9
91.03938	7.1
91.05479	65.0
93.06480	3.6
93.07044	54.0
94.04218	1.7
95.04972	28.8
95.08606	40.9
97.02884	17.8
97.06532	23.6
97.10168	19.9
98.07314	7.0
99.04450	2.8
99.08052	2.7
101.06010	2.3
103.03941	2.0
103.05483	2.6
105.04527	1.8
105.07038	43.5
106.07909	1.7
107.04962	18.4
107.08587	34.5
109.02857	3.6
109.06540	8.6
109.10154	48.0
111.04414	4.4
111.08056	10.3
113.06021	2.5
113.09655	1.9
115.05450	3.4
116.04709	12.5
117.07012	16.0
119.04919	2.0
119.07791	2.9
119.08571	30.3
121.06518	6.8
121.10133	20.2
123.04415	3.2
123.08073	14.6
123.11720	4.4
125.09627	23.5
127.03902	6.7
128.06190	2.0
129.05479	30.4
129.06960	12.0
130.07739	2.6
131.08568	22.6
133.06483	5.3
133.10133	29.7
135.08061	10.6
135.11693	17.3
136.08836	2.1
137.09590	15.9
139.03909	1.8
139.11195	2.6
141.07068	1.6
142.07771	3.0
143.07063	8.1
143.08548	6.4
145.05020	2.2
145.06462	1.9
145.10118	18.3
147.08044	4.8
147.11681	13.0
149.09631	23.8
149.13266	5.0
151.11160	5.0
153.08942	1.6
155.08560	2.5
155.10674	4.2
157.08774	11.3
157.09937	11.0
158.05779	2.1
159.11725	13.2
161.09576	6.5
161.13251	6.6
163.06007	3.6
163.11188	18.6
165.09097	2.3
165.12750	3.8
167.10626	2.1
169.10202	2.4
171.06522	3.0
171.10153	7.8
171.11693	5.7
173.04338	1.7
173.09621	2.3
173.10321	1.8
173.11734	18.1
173.13283	5.1
175.11177	11.6
177.12750	4.7
179.10713	2.0
179.14337	3.4
181.12247	3.3
185.11726	2.6
185.13239	1.6
187.11211	2.6
189.11304	8.6
189.12718	2.2
189.59525	1.6
191.10674	2.6
191.14413	1.6
193.12198	15.2
195.13864	3.3
197.13251	2.7
199.13310	17.4
200.14078	3.2
201.12914	1.5
201.14871	2.6
209.11736	11.0
210.12447	2.0
211.13205	10.3
217.12346	1.9
223.13271	3.0
227.12770	17.5
227.17961	2.2
229.14320	25.0
243.15918	6.0
247.20688	2.0
253.14354	2.3
255.15765	7.5
257.18936	6.5
263.20209	1.7
267.15839	13.1
269.17371	3.4
273.18469	7.3
275.20041	32.3
283.15414	10.9
283.18750	3.0
284.16373	2.0
285.16873	8.3
291.19485	11.9
293.21130	2.4
301.16449	73.6
326.24545	2.2
349.19778	3.0
349.23752	34.4
353.23206	1.9
365.23181	6.6
371.23993	1.7
373.18658	1.5
383.24103	2.7
397.22278	5.4
421.25607	3.7
435.27530	1.9
438.25632	2.1
439.26834	5.4
453.27606	2.2
455.26385	25.9
461.29062	2.0
469.27997	4.6
479.29935	4.8
481.28064	4.0
495.29544	2.3
503.33548	3.2
511.29315	3.3
541.35480	3.5
558.34998	2.1
575.27423	2.8
575.35822	44.6
591.34967	2.4
593.36914	14.6
609.35626	2.7
968.45831	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	974.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	3.8
69.07069	3.7
71.01366	1.4
71.39044	0.4
71.39384	0.5
72.66917	0.4
73.02916	14.2
79.05499	2.7
81.03442	2.4
81.07054	9.7
83.01353	0.8
83.05023	0.5
83.08628	1.9
85.02904	51.9
87.04469	0.6
91.03954	45.4
91.05470	2.2
93.07047	4.9
95.01331	15.7
95.01951	0.6
95.08606	18.2
97.02890	32.9
97.10189	1.9
99.00818	2.0
99.04455	3.2
99.76259	0.4
101.02386	1.3
103.03928	5.0
105.07035	4.6
107.08591	7.4
108.94878	0.4
109.02873	2.3
109.06548	0.6
109.10151	8.3
111.11706	0.7
113.02374	2.9
115.03915	2.8
117.05489	0.8
117.07035	1.1
119.08582	5.3
121.06493	1.1
121.10149	6.4
123.00774	1.0
123.11718	4.3
127.03916	25.8
129.07001	0.7
131.03413	1.7
131.08575	4.1
133.06549	0.4
133.10150	3.2
135.08060	2.2
135.11700	4.8
137.13260	7.9
139.03903	1.2
141.01826	78.4
143.08575	1.9
145.04961	34.3
145.10136	3.1
147.11694	2.3
149.13261	5.3
151.14813	0.8
157.10118	1.5
159.02895	22.5
159.08060	0.7
159.11673	2.7
161.09622	1.0
161.13271	3.1
163.06013	100.0
163.11200	1.1
163.14767	2.8
165.09026	0.5
168.06551	0.5
169.10161	1.1
171.11743	1.1
173.13290	5.1
175.11185	1.1
175.14798	2.4
177.03935	4.6
177.12729	0.4
177.16397	1.6
183.11702	0.5
185.13303	0.7
187.14825	4.3
189.12758	2.8
189.16380	2.3
191.14293	2.4
191.17955	2.7
193.19516	0.4
199.14796	1.9
200.05681	0.5
201.16425	2.7
203.14287	1.6
203.17958	3.2
204.08632	1.3
205.15871	1.3
205.19522	4.7
207.17148	0.5
213.16423	3.3
215.17889	1.0
217.15901	0.9
217.19456	0.7
219.21074	0.8
221.15350	0.7
222.48581	0.4
225.16330	0.5
227.17938	1.2
229.06892	0.5
229.15862	1.0
229.19431	0.8
231.17458	1.5
233.15358	2.1
239.17845	1.1
241.15883	0.6
241.19585	2.0
243.17389	0.8
243.20970	0.7
245.18953	0.6
247.16859	1.2
255.21048	0.6
257.22806	0.5
262.96741	0.4
269.18924	0.4
269.22488	0.6
271.20587	0.8
283.20541	1.0
285.06021	5.5
303.07120	3.2
321.04340	0.7
321.08170	14.9
325.11124	1.3
339.09219	24.2
357.10117	0.8
393.35187	4.5
395.28128	0.8
395.33066	12.9
397.34900	0.7
403.33377	1.2
411.36023	1.4
421.34708	9.0
422.18414	0.4
439.35712	21.0
525.39185	0.5
615.37964	0.5
974.44586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.2
69.07086	0.5
69.55308	0.2
70.62675	0.2
71.01357	0.3
71.04997	0.3
73.02917	2.2
75.30846	0.1
79.05495	1.8
81.03410	1.1
81.07056	2.5
83.01366	0.2
83.04984	0.2
83.08634	0.4
85.02903	3.8
85.06554	0.3
87.04494	0.4
91.03954	2.2
91.05481	1.6
93.07037	2.1
95.04964	0.2
95.08604	1.7
97.02885	3.7
97.10181	0.2
99.04479	0.6
101.02375	1.5
103.03958	0.2
105.07024	1.1
107.08569	0.9
109.02902	0.5
109.06516	0.2
109.10165	0.6
111.89442	0.2
113.29916	0.2
115.03947	0.4
117.07057	0.4
119.08617	0.6
121.10153	0.5
125.08753	0.2
125.09647	0.2
127.03979	0.7
129.07126	0.2
129.65694	0.2
131.08621	0.4
133.10170	0.5
135.11731	0.4
135.34528	0.1
139.03882	0.2
145.05020	0.4
145.10144	0.3
147.11754	0.3
159.11777	0.2
161.13275	0.3
173.13272	0.2
176.05736	0.2
185.04324	0.7
187.14809	0.2
192.01625	0.1
196.29160	0.2
201.03697	0.2
203.05299	0.5
243.08389	1.9
243.10330	0.2
292.45816	0.2
317.21085	0.7
333.20572	0.7
347.09393	2.0
363.08881	0.3
365.10541	1.0
373.23755	0.5
405.13669	5.6
453.21744	0.2
519.29364	2.1
535.28790	5.9
551.28375	0.9
681.34430	2.5
697.33960	5.2
713.33087	0.9
829.50787	0.9
991.56000	100.0
992.56152	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	997.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.7
69.07066	1.7
71.01339	0.2
71.05007	0.2
77.03931	0.3
79.01839	0.3
79.05495	6.1
81.03424	0.6
81.06577	0.4
81.07056	6.5
81.40804	0.1
83.04980	1.3
83.08611	1.1
85.02901	1.0
85.06524	0.2
89.82744	0.2
91.04996	0.1
91.05475	3.8
93.03402	1.2
93.07043	5.4
95.04972	1.0
95.08606	5.6
97.02866	0.8
97.06527	0.4
97.10151	0.8
103.03960	0.2
103.05457	0.6
105.03426	0.2
105.04514	0.3
105.07034	1.9
107.04963	0.7
107.08590	2.9
109.02856	0.2
109.06512	0.4
109.10156	2.2
111.00810	0.4
111.04446	5.7
111.08105	0.2
115.05431	0.8
117.07028	1.3
119.08596	1.4
121.02898	1.0
121.06507	0.4
121.10136	2.6
123.04428	4.1
123.08082	0.4
123.11714	0.7
125.09621	0.4
127.03929	1.4
128.06180	0.3
129.06998	0.7
131.04932	0.8
131.08578	1.4
131.29919	0.1
133.06451	0.4
133.10115	1.3
135.04410	2.2
135.11684	1.3
137.02310	0.2
137.05969	0.6
137.09576	0.3
137.13206	0.2
139.03900	100.0
140.04210	0.6
141.05479	1.0
141.06993	0.7
143.04883	0.4
143.08539	0.5
145.06487	0.9
145.10138	0.7
147.04413	0.6
147.11702	0.8
149.05963	2.3
149.13266	0.8
151.03906	7.2
153.05460	1.4
153.06984	0.7
155.04810	0.3
155.08562	0.4
157.05281	0.2
157.06471	1.1
157.10121	0.3
159.04388	0.5
159.08049	0.2
159.11708	0.6
160.05185	0.2
161.05989	4.8
161.13268	0.6
163.03903	33.7
163.07576	0.5
163.14825	0.3
164.04239	0.3
165.05482	1.4
165.06912	0.4
167.03421	0.3
167.08563	0.6
169.05081	0.3
169.06505	0.7
171.08092	0.3
171.11726	0.3
173.05986	10.0
173.13272	0.5
174.06421	0.1
175.03885	0.7
175.07547	1.7
175.14928	0.2
176.04613	0.2
177.05467	5.2
179.03383	1.2
179.07018	0.5
179.08447	0.3
181.04955	5.0
181.06474	1.2
181.09943	0.2
183.08003	0.9
185.05965	0.9
185.09639	0.2
186.06706	0.2
187.03931	1.6
187.07536	5.4
187.14844	0.3
189.05507	2.2
189.07065	0.3
189.09001	0.2
191.03416	0.3
191.07039	0.7
193.04944	0.5
193.06555	0.4
193.08493	0.2
195.08105	0.9
195.09550	0.1
197.05951	1.3
197.09694	0.3
198.06755	0.4
199.07544	4.0
200.04710	0.3
201.05478	2.4
201.09119	1.7
203.03375	0.3
203.07019	0.7
205.04959	10.7
207.08060	0.4
209.05952	0.5
209.09656	0.4
210.06731	0.4
211.07549	2.7
211.10950	0.2
212.08282	0.3
213.05508	1.5
213.09105	2.4
214.06285	0.2
215.06996	1.3
217.04958	1.1
217.08337	0.2
219.06340	0.4
219.08220	0.3
219.09882	0.2
221.06131	0.2
221.09663	0.4
223.07571	1.4
224.08353	0.4
225.05507	0.4
225.09103	1.3
226.06230	0.2
227.07002	1.3
227.10646	0.6
229.04970	2.1
229.08566	0.4
233.09657	0.2
235.05942	2.2
236.08246	0.2
237.09009	0.8
238.09793	0.2
239.06978	0.5
239.10674	0.4
241.04840	0.2
241.08546	0.2
241.19534	0.3
243.21083	0.6
247.05930	2.0
249.09119	0.6
251.06952	0.3
251.10590	0.5
253.05070	0.4
253.08679	0.2
253.12190	0.2
259.05789	0.2
259.20612	1.1
261.08997	0.2
261.22159	2.0
265.04745	0.2
265.07037	1.3
267.13751	0.5
269.15320	0.9
271.05984	0.3
275.07019	0.4
279.06287	0.4
279.13754	0.5
281.15298	0.5
282.05161	0.2
283.08218	4.9
285.07538	0.2
285.14835	0.7
287.16376	0.6
291.13651	0.4
293.08023	0.3
293.15375	0.4
295.06058	1.8
297.07507	0.3
297.14810	1.0
299.16364	0.7
301.09167	9.8
303.06296	0.2
303.13458	0.2
305.07962	0.2
305.15179	0.3
307.13263	0.3
308.06720	0.9
309.07520	0.6
309.14862	0.9
311.09085	0.3
311.16342	0.6
313.07062	1.0
313.10223	0.2
313.14487	0.4
315.15891	5.2
317.08005	0.6
319.06137	0.2
320.06677	0.2
321.07556	0.9
321.14902	0.5
322.08377	0.3
323.09067	0.6
323.16333	0.5
325.14548	1.1
327.15945	2.4
333.07617	0.2
333.24142	0.6
335.09222	1.1
335.25806	16.8
336.25995	0.3
337.17871	0.3
339.15878	2.7
341.17413	0.5
343.15567	0.2
357.16971	0.3
359.18585	1.9
363.15897	0.2
371.18619	0.4
383.18384	0.3
387.18210	0.2
389.19601	2.8
399.17630	0.4
399.25598	0.2
401.19598	1.1
413.19632	1.0
419.20120	0.3
421.16473	2.5
429.16705	0.7
435.17563	0.2
445.16068	0.2
447.12039	0.3
447.18011	4.8
463.17352	0.4
465.19073	3.0
471.17880	0.5
483.20483	0.2
489.18814	0.3
495.19791	0.4
503.20462	0.4
513.19348	0.4
515.36578	0.2
521.21887	1.5
531.19867	0.4
539.22742	2.1
555.20074	0.2
557.23517	0.5
557.35797	0.4
581.36420	0.4
599.37256	0.3
619.39374	0.6
631.39380	0.4
635.38672	0.2
637.40045	0.5
643.39886	0.3
647.39325	0.4
649.40875	3.4
655.39685	0.3
661.41180	1.9
667.41547	0.4
673.40790	1.1
677.40265	0.7
679.42010	1.1
691.42426	1.0
755.39880	0.5
773.42303	1.7
775.60321	0.3
781.42566	0.5
799.29907	0.2
799.44092	3.8
817.45026	2.8
823.43549	0.4
865.44684	0.2
915.51575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	0.7
69.07075	2.0
69.51126	0.4
69.51530	1.3
71.01362	0.3
77.03937	0.5
79.05116	0.1
79.05491	5.6
81.03412	0.9
81.07062	7.2
83.04983	1.6
83.08632	0.8
85.02903	1.0
85.06554	0.4
91.05478	4.7
91.06013	0.3
93.03411	1.5
93.07047	5.5
95.04977	1.7
95.08610	5.4
97.02914	1.4
97.06519	0.4
97.10169	0.8
99.08102	0.3
100.54190	0.2
103.05491	0.7
105.04562	0.3
105.07041	2.7
107.04969	0.9
107.08598	2.4
109.02896	0.8
109.06518	0.4
109.10159	2.7
111.04444	5.1
115.05461	0.8
117.07011	1.2
119.08569	1.6
121.02858	1.2
121.06494	0.7
121.10136	2.6
123.04430	4.5
123.08068	0.2
123.11695	0.6
125.09645	0.3
127.03918	1.6
128.06149	0.3
129.06989	0.7
131.04959	0.8
131.08554	1.5
133.06480	0.5
133.10144	1.4
135.04425	2.7
135.11720	1.3
137.05966	1.0
139.03906	100.0
140.04248	0.6
141.05499	0.6
141.06999	1.0
143.04929	0.5
145.06490	1.1
145.10138	1.0
147.04366	1.2
147.08064	0.3
147.11678	1.0
149.05991	2.8
149.13257	0.7
151.03912	7.1
151.05130	0.4
152.06203	0.4
153.05473	1.2
153.06963	0.8
155.04881	0.3
155.08577	0.5
157.06535	1.1
157.10129	0.4
159.04428	0.6
159.08093	0.4
159.11717	0.7
160.05132	0.4
161.05981	5.5
161.13263	0.6
163.03911	37.2
163.07558	0.7
163.14862	0.4
165.05487	1.2
165.07018	0.7
167.08577	0.6
169.06483	0.9
171.08028	0.3
171.11731	0.3
173.05989	11.6
173.13264	0.7
175.03883	1.0
175.07571	1.5
176.04712	0.4
177.05493	4.7
177.06940	0.3
178.22733	0.2
179.03406	1.6
179.07091	0.3
179.08533	0.5
181.04961	5.0
181.06497	1.6
181.10065	0.4
183.08031	0.6
185.05963	1.1
185.09593	0.2
186.06783	0.3
187.03951	2.0
187.07545	5.9
187.14697	0.3
189.05479	2.1
189.09122	0.5
191.03474	0.4
191.07007	0.6
193.04944	0.6
193.06517	0.5
195.08041	1.3
195.11618	0.2
197.05942	1.7
197.09656	0.3
198.06761	0.3
199.07547	4.7
200.04700	0.5
201.05482	2.5
201.07053	0.3
201.07375	0.3
201.09068	1.9
203.07010	0.8
205.04971	11.8
207.08083	0.4
207.11870	0.2
209.05975	0.5
209.09573	0.5
210.06818	0.3
211.07518	3.0
211.13196	0.3
213.05457	1.4
213.09079	2.4
215.07024	1.4
217.05002	1.3
219.06401	0.4
221.09653	0.6
223.07661	1.7
223.11154	0.3
225.05489	0.5
225.09102	1.6
226.06139	0.3
227.07016	1.4
227.10681	0.6
229.04938	2.3
229.08534	0.3
235.05917	2.1
235.11180	0.3
237.09058	1.1
237.12746	0.3
239.06924	0.5
239.10638	0.6
241.04997	0.7
243.21016	0.5
245.04562	0.2
247.05928	2.6
249.09186	0.4
249.12726	0.3
251.10637	0.4
251.14357	0.6
253.05032	0.4
253.12167	0.5
255.06491	0.3
259.06018	0.2
259.20526	0.6
261.09116	0.3
261.22125	2.0
263.06964	0.3
263.10464	0.3
263.12875	0.3
265.07065	1.8
265.12131	0.3
267.06354	0.2
267.13776	0.9
269.15320	0.9
271.06070	0.4
273.14948	0.2
275.07120	0.3
279.06473	0.4
279.13800	0.5
281.15298	0.3
282.05243	0.3
283.08295	4.8
283.13065	0.4
285.14627	1.0
287.16284	0.6
291.13739	0.5
293.08078	0.5
293.15344	0.6
295.06058	2.0
295.13248	0.3
297.07590	0.4
297.14795	1.2
299.16367	1.0
301.09174	9.0
301.14328	0.5
302.09189	0.3
303.06586	0.4
303.13602	0.3
305.07950	0.3
305.15570	0.3
307.13412	0.3
308.06833	0.7
309.07532	0.9
309.14871	0.8
311.16452	0.7
313.07007	0.6
313.14429	0.3
315.15927	5.5
317.08188	0.3
320.06818	0.3
321.07504	0.9
321.14880	0.4
322.08240	0.4
323.09161	0.4
323.16492	0.5
325.09390	0.3
325.14261	0.8
327.15875	2.7
332.71951	0.3
333.16968	0.6
333.24197	0.7
335.09387	1.1
335.25803	15.7
339.15860	3.1
341.17383	0.8
353.17569	0.6
357.16974	0.5
359.18619	2.4
363.15796	0.4
371.18372	0.4
377.19601	0.3
389.19577	2.5
399.18210	0.3
401.19781	1.1
409.16415	0.3
413.19482	0.8
419.20346	0.4
421.16592	1.9
429.17044	0.6
431.18542	0.2
435.18137	0.3
445.16537	0.3
447.18042	5.5
459.17908	0.3
463.17377	0.3
465.12933	0.3
465.19122	5.2
466.19659	0.3
471.17987	0.3
489.19235	0.4
495.19751	0.4
503.20499	0.5
513.19196	0.5
513.28046	0.2
521.21631	1.2
531.19800	0.4
539.22839	2.5
549.22278	0.2
557.23138	0.3
563.21729	0.3
581.35608	0.3
599.37433	0.5
619.40112	1.1
621.40997	0.5
631.39026	0.4
637.41119	0.4
647.39465	0.5
649.41125	2.3
659.38715	0.3
661.41028	1.6
667.41992	0.5
673.41302	1.3
677.39673	0.7
679.41541	0.8
691.41559	0.9
755.41895	0.3
773.42316	1.2
781.42725	0.4
799.44293	4.5
817.45264	3.8
823.42767	0.3
865.43439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.8
69.07074	1.4
71.01364	0.2
71.04969	0.3
76.35528	0.2
78.72539	0.2
79.01864	0.2
79.05492	5.7
79.32752	0.2
81.03426	0.5
81.07053	6.7
81.07526	0.4
82.47422	0.2
83.04986	1.4
83.08604	1.1
85.02908	0.8
85.06555	0.3
91.05478	4.2
93.03395	1.0
93.07037	5.8
95.04955	1.3
95.08604	5.5
97.02900	1.1
97.06509	0.6
97.10172	0.4
98.20615	0.4
103.05473	0.6
105.04539	0.3
105.07035	2.6
107.04959	0.7
107.08598	2.7
109.02865	0.3
109.06524	0.5
109.10150	1.9
111.00806	0.4
111.04437	5.3
115.05446	0.9
117.07022	1.2
119.04975	0.3
119.08578	2.0
121.02862	1.2
121.06516	0.6
121.10140	2.2
123.04424	4.1
123.08034	0.3
123.11726	0.6
125.09624	0.3
127.03914	1.1
128.06168	0.4
129.06998	0.6
131.04929	0.7
131.08577	1.4
133.06499	0.6
133.10124	1.4
135.04424	1.9
135.11682	1.0
137.05983	0.6
139.03900	100.0
140.04243	0.5
141.05504	1.0
141.07016	0.9
143.04893	0.5
143.08585	0.5
145.06483	0.9
145.10146	0.9
147.04362	0.9
147.11681	0.9
149.05988	1.9
149.13268	0.9
151.02727	0.4
151.03899	6.3
153.01791	0.2
153.05527	1.4
153.06985	1.1
155.04900	0.2
155.08571	0.4
157.06467	1.0
157.10185	0.4
159.04453	0.5
159.11700	0.7
161.05978	4.7
161.13274	0.4
163.03902	28.7
163.07556	0.8
163.14796	0.4
164.04326	0.4
165.05478	1.6
165.06979	0.5
167.08572	0.6
169.05194	0.2
169.06448	0.9
169.10181	0.2
171.08080	0.4
173.05978	8.5
173.11867	0.2
173.13286	0.6
174.06523	0.2
175.03917	1.0
175.07547	1.6
177.05464	3.7
177.06892	0.4
177.08902	0.2
179.03401	1.7
179.07062	0.3
179.08557	0.5
181.04944	4.3
181.06493	1.4
181.25809	0.2
183.08075	0.8
183.91016	0.2
185.06050	0.9
185.13292	0.2
186.06784	0.2
187.03934	1.2
187.07530	5.0
187.14821	0.2
189.05505	2.1
189.07051	0.4
189.09085	0.4
191.03462	0.2
191.07036	0.6
191.08578	0.3
193.04942	0.6
193.06519	0.4
195.06474	0.4
195.08011	1.3
195.11565	0.2
197.05968	1.3
197.09587	0.4
198.06725	0.3
199.07541	3.6
199.13351	0.2
200.04724	0.2
201.05472	2.3
201.09099	1.8
203.03429	0.2
203.06966	0.4
205.04964	9.8
205.10187	0.3
207.08096	0.4
209.06120	0.2
209.09578	0.2
210.06845	0.4
211.07516	3.0
213.05463	1.8
213.09074	2.4
214.06206	0.3
215.07036	0.9
215.10655	0.3
217.05055	1.0
219.06311	0.4
219.08194	0.4
221.06075	0.2
221.09564	0.2
223.07539	1.4
223.11087	0.3
224.08215	0.3
225.05382	0.2
225.09077	1.3
226.06184	0.4
227.07018	1.5
227.10638	0.4
229.04970	1.7
229.08495	0.4
229.92773	0.2
231.21266	0.2
235.05896	1.6
235.11130	0.3
237.05481	0.2
237.09132	0.8
237.12628	0.2
239.07057	0.4
239.10635	0.4
241.04890	0.3
241.08696	0.3
243.21034	0.5
247.05920	2.2
247.11145	0.3
249.09085	0.3
249.12764	0.2
251.00594	0.2
251.06873	0.5
251.10681	0.4
251.14342	0.4
253.04793	0.2
253.12196	0.3
259.20596	0.8
261.22131	2.2
263.10492	0.3
264.11096	0.2
265.06836	1.1
265.12088	0.3
267.13788	0.7
269.15271	1.0
271.05814	0.4
273.14777	0.3
273.22275	0.2
275.07208	0.3
279.13495	0.2
281.15430	0.2
283.08215	4.9
283.12836	0.3
285.07434	0.5
285.14844	0.7
287.07553	0.2
287.16385	0.6
291.13690	0.5
293.08060	0.3
293.15121	0.4
295.06039	1.9
297.07559	0.4
297.14923	1.0
299.16321	0.5
301.09164	8.9
301.14346	0.4
303.06522	0.3
305.08087	0.4
305.15353	0.3
308.06696	0.9
309.07446	0.8
309.14734	0.6
311.08914	0.3
311.16324	0.6
313.06982	1.7
315.15869	4.6
317.07959	0.3
317.24545	0.3
319.05838	0.4
321.07611	0.5
321.14682	0.5
323.09048	0.7
323.16373	0.6
325.14297	1.0
327.15909	3.2
329.17230	0.2
333.24207	0.6
335.09006	1.0
335.25787	19.7
336.26175	0.3
337.27390	0.3
339.15936	2.3
341.17236	0.5
357.16837	0.3
359.18555	1.0
363.15805	0.3
371.18503	0.3
375.19098	0.2
383.18341	0.3
389.19623	2.4
399.17990	0.5
399.25311	0.4
401.19748	1.3
409.15802	0.3
413.19376	0.8
419.20615	0.5
421.16428	3.0
429.16837	0.7
437.19644	0.2
447.18066	4.5
447.24289	0.4
459.17838	0.3
465.12982	0.2
465.19122	3.4
477.18848	0.3
485.19208	0.3
489.18991	0.3
495.19528	0.6
503.20529	0.6
513.18842	0.4
515.37524	0.4
521.21527	1.4
531.19482	0.5
539.22760	2.2
557.23352	0.8
557.35986	0.5
575.36871	0.4
599.37421	0.3
617.22485	0.3
619.39447	0.5
621.41431	0.4
635.38239	0.2
643.39673	0.3
647.39246	0.4
649.40991	2.7
661.41022	2.0
667.41742	0.4
673.41254	1.2
677.40289	1.0
679.42078	1.3
691.42151	1.5
707.39215	0.3
755.40918	0.5
773.42535	2.1
781.41962	0.6
799.44043	4.7
817.45062	2.9
823.44226	0.3
841.44177	0.3
865.43860	0.4
907.45953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33501	5.9
71.01379	32.1
72.99301	2.0
73.02956	6.2
79.95715	1.2
83.01382	4.4
85.02949	14.3
87.00860	3.1
89.02437	10.2
95.01386	3.3
96.96007	36.6
97.02951	1.4
98.19885	1.3
98.95600	1.2
99.00893	3.7
101.02440	21.1
113.02450	16.0
119.03475	2.5
125.02428	2.5
131.03476	2.4
133.42116	0.7
143.03476	2.5
152.58907	0.7
159.02946	1.5
161.04530	6.7
171.10236	1.5
179.05574	2.4
221.06725	3.7
248.64906	0.8
293.21313	1.8
321.11435	0.8
327.21826	3.6
397.13327	1.5
423.51266	0.7
712.97852	0.9
760.08356	0.8
779.45746	19.7
780.46307	2.4
941.51062	100.0
942.51483	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	1001.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	19.5
71.14335	0.7
72.99297	0.9
73.02947	3.1
82.95409	0.8
83.01374	2.4
85.02947	7.4
87.00868	2.4
89.02439	5.7
95.01376	1.5
96.95999	1.7
97.02944	0.9
99.00858	1.2
101.02438	10.6
111.00844	0.5
113.02443	8.8
119.03481	1.9
125.02390	1.5
129.01866	0.6
131.03491	2.1
143.03490	1.3
159.02927	0.6
159.50435	0.4
161.04549	2.7
166.17619	0.4
169.01387	0.3
179.05540	0.8
211.07901	0.4
212.10109	0.4
221.06627	2.2
455.35272	16.8
455.41754	0.8
456.35757	1.1
599.39349	2.5
617.40527	19.2
618.40808	1.4
761.44714	1.2
776.99884	0.4
779.45886	16.6
780.46832	1.8
941.51056	100.0
942.51373	12.8
1001.47339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.656
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10773	0.5
70.11166	0.5
71.01368	0.4
79.95730	1.1
81.03426	0.4
85.06615	0.3
85.26496	0.2
96.96004	16.6
97.06571	2.4
98.19880	0.3
98.95620	0.4
116.92797	0.3
165.72302	0.2
191.14374	0.9
201.79341	0.3
211.13458	0.3
218.39366	0.3
223.09399	0.3
228.87180	0.2
277.21762	1.3
318.42599	0.2
343.21259	0.5
347.68146	0.3
373.25345	0.3
375.26910	0.5
389.28497	0.9
390.52594	0.4
391.30215	3.4
392.30600	0.3
397.13300	0.4
405.31613	3.1
407.33240	7.3
408.33319	0.5
409.31012	1.2
421.30893	0.3
423.33133	1.6
424.33282	0.3
425.34082	0.7
437.30515	0.6
439.32123	1.3
441.33667	17.5
442.33987	1.3
449.30527	1.1
451.32114	7.3
452.32809	0.7
453.33682	100.0
454.34003	7.3
467.31747	1.4
469.33154	5.0
470.33087	0.4
471.35120	0.5
485.32932	1.5
486.33298	1.6
487.34268	18.6
488.34644	1.3
497.32556	1.1
513.32001	1.8
534.55432	0.3
744.25232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.7
81.03468	0.5
83.01369	1.3
83.05011	0.3
84.68777	0.1
85.02946	1.6
87.00877	0.2
89.02448	0.3
89.03968	0.2
91.01904	0.7
93.03445	2.8
93.03988	0.2
95.01365	0.7
96.96010	0.4
97.02939	0.7
99.00884	0.4
99.04534	0.2
101.02422	0.2
107.01382	3.7
108.02197	0.3
109.02958	1.7
110.03210	0.1
111.00868	0.1
113.02435	0.3
117.03461	8.5
118.03783	0.2
119.01369	0.2
119.05027	3.3
121.02996	0.3
123.00869	0.4
123.04581	0.2
124.01643	0.2
125.02444	2.1
127.04001	1.4
130.04242	0.3
131.03453	0.3
131.05017	0.5
132.02184	0.3
133.02971	0.3
135.00883	1.6
136.56781	0.1
137.02438	0.5
141.07094	0.5
143.05025	1.8
145.02948	20.7
145.04868	2.5
145.06596	0.3
146.03319	0.8
147.00980	0.2
149.04533	0.3
151.00360	5.8
153.01933	0.3
154.04250	0.5
155.05002	0.6
156.05792	0.4
157.02977	0.2
157.06575	1.5
158.03714	0.3
159.04489	2.0
161.02452	0.4
161.06120	0.2
163.00360	3.0
163.03993	3.4
164.01117	0.6
165.01920	0.5
167.05029	0.9
169.01393	0.7
169.06622	1.1
171.04518	1.2
173.02422	0.3
173.06078	0.5
174.03300	0.2
182.03706	0.3
183.04524	1.2
184.05267	0.2
185.06061	4.4
187.02287	0.2
187.03984	4.8
189.05508	1.3
195.04593	1.0
195.06358	0.2
196.05287	0.4
197.06050	1.1
198.03238	0.3
198.35147	0.1
199.04001	1.3
200.04639	0.2
201.05550	1.4
211.03952	3.0
211.05817	0.2
212.04742	0.6
213.05544	2.6
214.02672	0.4
215.03522	0.6
223.03951	0.3
224.04807	0.3
227.03479	12.5
227.06764	1.1
228.03941	0.5
229.05034	15.2
230.05576	0.7
239.03439	1.9
240.04262	0.8
241.05029	2.0
243.03044	0.6
253.05023	0.4
255.02971	18.0
256.03674	2.5
257.04526	8.9
258.04837	0.3
267.02936	1.2
268.03671	0.2
271.06119	2.1
271.08853	0.3
277.07135	1.5
283.02451	2.1
284.00870	0.3
284.03238	13.8
285.04016	100.0
286.04358	3.6
295.08249	0.4
365.08734	0.2
403.10165	1.5
404.11349	0.1
421.13501	2.9
441.14032	0.7
523.18280	0.4
549.16040	0.5
551.17853	0.2
553.17633	0.2
567.17133	2.0
585.18506	0.2
699.21350	0.4
717.22424	2.9
717.34235	0.2
718.22675	0.2
839.22528	2.6
840.22754	0.3
857.23688	2.6
858.23669	0.3
960.81982	0.2
1003.27142	27.6
1004.27545	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	1003.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.4
73.02945	0.4
75.00885	0.3
81.03483	0.4
83.01382	1.3
83.05044	0.4
85.02941	1.9
87.00874	0.4
89.02438	0.6
91.01920	0.8
93.03449	2.1
95.01390	0.6
96.96018	0.5
97.02959	0.9
99.00884	0.8
99.04539	0.3
101.02443	0.6
107.01389	3.4
108.02174	0.3
109.02951	1.9
111.64160	0.2
113.02450	0.6
117.03458	8.1
118.03787	0.2
119.05025	3.3
121.02936	0.4
123.00922	0.4
123.04533	0.4
125.02438	2.5
127.04007	1.3
131.05037	0.3
133.02954	0.3
135.00899	1.2
135.01775	0.2
135.11749	0.2
137.02454	0.8
139.03926	0.2
141.07111	0.3
143.04991	1.4
145.02943	20.1
145.05058	2.2
146.03325	0.3
148.01642	0.3
149.02464	0.2
149.04582	0.2
150.03212	0.5
151.00354	6.1
151.03952	0.4
153.01953	0.4
154.04260	0.5
155.05032	0.3
155.10960	0.2
156.05739	0.2
157.02945	0.3
157.06549	1.1
159.04485	2.0
161.02444	0.7
161.06013	0.4
163.00362	2.9
163.03998	3.8
164.01070	0.4
165.00633	0.2
165.01952	0.7
165.05537	0.5
166.02576	0.3
167.05026	0.6
168.05548	0.2
169.01402	0.9
169.06569	0.9
171.04439	1.1
173.02376	0.5
173.06038	0.2
175.03989	0.4
179.03593	0.2
179.10808	0.8
181.05066	0.3
182.03708	0.3
183.04456	1.0
184.05240	0.4
185.02444	0.3
185.06061	3.7
187.03975	5.0
189.05569	1.7
191.03423	0.3
192.00774	0.2
195.04536	0.9
195.06554	0.3
196.05301	0.3
197.06100	1.4
198.03101	0.3
199.04041	1.1
201.05559	1.1
211.03960	3.2
212.04684	0.4
213.05515	3.0
214.02740	0.5
215.03464	0.8
217.04915	0.4
223.03906	0.3
227.03470	12.3
227.06787	1.0
228.03911	0.4
229.05032	15.5
230.05394	0.6
239.03455	1.7
240.04193	1.2
241.05013	2.0
243.02979	0.6
249.06380	0.2
255.02957	19.1
256.03644	2.4
257.04510	8.7
258.04953	0.5
267.03070	1.4
267.07056	0.2
271.06070	2.3
277.07083	1.3
283.02466	2.4
283.99908	0.2
284.03235	14.7
285.04013	100.0
286.04364	3.9
348.92157	0.2
365.08722	0.3
391.13873	0.3
403.10309	1.3
421.13431	2.4
441.13974	0.6
467.13477	0.6
483.19064	0.2
549.15820	0.7
551.17834	0.2
567.17133	2.2
661.25293	0.2
679.26001	0.5
699.21667	0.4
717.22290	1.8
823.28687	0.2
839.22113	2.6
841.31268	1.4
857.23230	2.6
972.19897	0.2
1003.26953	26.6
1004.27222	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	1004.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	12.5
72.99303	1.5
73.02959	1.5
75.00877	1.5
83.01374	1.8
85.02937	4.3
87.00872	1.2
89.02441	8.8
95.01363	4.1
96.96001	2.2
97.02980	0.8
98.20756	1.0
99.00873	1.9
101.02436	8.7
109.02942	1.2
113.02457	8.3
119.03495	0.9
125.02446	0.7
151.94637	0.8
161.04575	1.0
225.84258	0.7
229.97090	1.2
312.35660	0.6
366.35382	0.7
369.67984	0.7
439.32108	2.3
441.33713	1.9
481.44254	0.7
831.59363	1.0
856.59247	0.7
874.14227	0.7
941.47418	100.0
942.47369	11.2
943.48767	1.0
944.49829	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	1005.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91360	1.3
71.01378	25.0
71.39957	0.3
72.99310	1.0
73.02944	4.8
75.00882	0.5
78.46512	0.3
82.68941	0.3
83.01385	3.9
85.02948	12.3
85.03459	0.7
86.00084	0.3
87.00871	2.3
89.02443	7.7
94.58759	0.3
95.01386	2.9
96.96022	0.8
97.02942	1.4
98.19939	0.4
99.00874	2.8
101.02441	16.5
109.03061	0.3
111.00867	0.4
113.02447	13.0
119.03474	2.2
125.02454	2.0
127.14900	0.3
129.01880	0.4
131.03482	1.7
143.03487	1.7
159.02992	1.5
161.04565	4.5
163.11169	0.3
179.05589	1.2
185.49353	0.3
194.28647	0.3
209.11777	0.8
218.13406	0.3
221.06596	3.0
225.42833	0.3
227.12874	0.4
248.05589	0.3
251.28728	0.3
256.46570	0.3
261.81937	0.3
300.99860	0.4
331.24887	1.1
423.31073	0.3
457.37180	0.4
621.43793	0.7
762.82086	0.4
765.47705	0.4
783.48926	20.1
784.49384	1.9
931.23413	0.4
945.54156	100.0
946.54547	10.1
946.74268	0.4
1005.41461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.8
77.01963	0.3
81.03458	0.4
83.01376	4.3
85.02937	0.7
91.01887	0.7
93.03439	2.0
95.01379	0.4
96.96007	0.7
107.01381	12.2
108.02145	1.8
109.02951	3.9
112.52140	0.3
113.02412	0.3
117.03468	2.2
119.01374	0.9
119.05018	5.8
121.02945	9.4
124.01611	0.3
125.02448	1.1
127.03986	0.4
133.02950	0.8
135.00862	1.5
139.04021	0.7
143.05035	0.5
145.02960	4.1
145.05043	0.4
147.00858	0.4
147.04483	0.3
148.01662	1.7
149.02414	1.5
151.00354	46.2
152.00844	0.6
155.04994	0.5
157.02890	0.4
159.04480	1.4
161.02463	0.6
161.06145	0.4
163.00356	5.4
163.03995	3.2
164.01135	1.5
167.05148	0.4
169.01424	1.2
171.04520	0.9
173.06007	0.5
174.03108	0.5
175.03981	1.2
178.99846	22.5
180.00307	0.4
182.03720	0.4
183.04539	1.7
185.02357	0.5
185.06081	0.9
187.03967	1.5
190.99896	0.8
192.00571	0.5
193.01387	0.8
195.04523	0.3
198.03212	0.7
199.03973	3.4
200.04607	0.4
201.01938	1.2
201.05588	1.7
203.03458	1.1
211.03949	3.0
213.01884	0.6
214.02701	0.5
215.03435	2.2
216.04245	0.8
226.02747	2.2
227.03468	5.8
228.04150	0.8
229.04985	2.2
230.02043	0.3
230.11333	0.4
239.03442	0.7
242.02319	0.3
243.02962	13.9
244.03496	0.7
245.04483	3.7
254.02209	2.3
255.02960	31.2
256.03427	1.4
257.04581	1.0
266.02039	0.5
271.02444	76.7
272.02960	4.1
273.03992	3.4
283.02402	2.2
298.98370	1.3
299.01923	19.8
300.02719	75.8
301.03479	89.6
302.03873	3.3
314.00616	2.2
329.02945	3.5
408.98737	2.2
455.54578	0.3
517.45081	0.3
717.22980	0.7
855.21771	2.9
873.22870	9.8
874.23584	0.8
1019.26630	100.0
1020.26782	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	1019.267
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	0.8
83.01379	4.1
85.02955	0.8
89.02437	0.4
91.01888	0.9
93.03445	1.9
95.01376	0.5
96.96046	0.6
98.75458	0.3
101.02454	0.5
107.01384	12.9
108.02213	1.6
109.02934	4.9
113.02439	0.6
117.03448	3.1
119.01373	1.2
119.05025	6.5
121.02949	9.7
121.68576	0.3
122.03264	0.3
125.02435	0.9
130.64131	0.3
133.02966	1.3
135.00868	1.5
137.02467	0.4
139.03996	0.8
143.05061	0.6
145.02948	4.3
145.05072	0.5
146.03691	0.4
147.00873	0.4
148.01660	1.6
149.02457	1.6
151.00357	50.6
152.00754	0.9
155.05013	0.4
157.06612	0.4
159.04482	1.1
161.02469	0.6
163.00369	5.9
163.03979	4.3
164.01161	1.5
165.01987	0.6
167.04962	0.7
168.75302	0.3
169.01451	1.8
171.04483	1.6
173.02385	0.6
173.06030	0.4
174.03221	0.7
175.03996	1.6
178.99844	24.2
180.00194	0.4
183.04565	2.1
185.02425	0.4
185.06024	0.4
187.03989	2.3
190.99854	1.0
192.00636	1.0
193.01323	0.8
197.02351	0.4
198.03180	0.5
199.03975	4.8
200.04468	0.3
201.01961	1.5
201.05566	1.6
203.03459	1.4
205.04984	0.4
211.03961	2.9
212.04680	0.4
213.01924	0.6
214.02777	0.5
215.03513	1.9
216.04279	0.6
226.02722	2.2
227.03473	5.9
228.04118	0.5
229.01384	0.6
229.04970	3.0
231.02817	0.4
233.04631	0.4
239.03500	1.2
240.04323	0.6
243.02951	14.1
244.03627	0.9
245.04469	2.8
254.02237	2.7
255.02959	34.3
256.03528	1.5
257.04584	0.7
271.02448	82.3
272.02951	5.7
273.04065	3.9
283.02368	2.3
284.03113	0.6
299.01944	23.4
300.02719	89.1
301.03485	100.0
302.03824	3.8
329.02756	0.4
361.88553	0.3
499.67261	0.3
717.22150	0.4
766.28687	0.3
855.22491	2.5
873.23016	8.6
874.23157	0.5
992.05170	0.4
1019.26636	96.4
1020.26843	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	1019.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	3.1
73.02941	1.2
83.01397	4.0
85.02946	2.7
89.02446	0.7
93.03446	3.7
95.01411	0.8
96.96017	3.2
97.02937	2.1
99.00869	1.3
101.02447	1.8
107.01376	13.1
108.02168	1.5
109.02943	5.7
111.00927	1.0
113.02449	1.9
117.03447	2.9
119.05029	2.7
121.02940	6.7
123.04497	1.1
125.02441	3.4
127.04030	1.2
132.02193	0.8
133.02950	12.2
135.00842	1.8
135.04492	5.6
137.02417	1.1
143.05011	1.8
145.02945	2.4
145.05070	2.1
148.01665	1.3
149.02428	1.8
151.00359	40.6
151.03998	1.3
154.08078	0.8
159.04466	2.4
161.02434	32.6
163.00362	5.4
163.03987	4.7
164.01169	1.8
165.01956	2.0
169.01472	1.4
169.06728	0.8
171.04507	1.7
173.02515	0.9
173.06073	1.4
175.03934	0.9
177.01926	1.2
178.99843	16.8
179.03419	3.9
183.04486	2.1
184.05400	0.9
185.06047	3.3
187.03955	4.5
190.99889	1.1
192.00679	1.0
193.01332	1.1
195.04488	1.0
199.04054	2.8
201.05537	2.7
203.03468	1.0
211.03928	3.5
213.05574	2.0
215.03465	3.2
217.04996	1.0
226.02675	1.0
227.03500	7.2
229.05013	12.6
239.03438	1.8
240.04221	1.5
241.04933	1.5
243.02975	5.6
245.04526	3.0
254.02159	1.5
255.02985	17.2
256.03442	1.8
257.04529	9.4
267.03049	1.6
270.98926	5.3
271.02460	29.2
272.02972	2.1
273.03979	2.5
283.02509	1.3
284.03244	2.5
285.04022	100.0
286.04297	3.5
287.05673	1.5
293.06662	2.1
298.98309	15.9
299.01926	8.0
299.99002	1.4
300.02707	28.3
301.03510	81.7
302.03885	2.9
314.00647	19.7
315.00897	2.0
325.07318	1.3
329.03018	25.1
330.03311	2.5
331.03412	1.2
408.98651	16.8
409.98929	2.0
410.98511	2.0
419.09866	1.3
421.13397	3.2
457.13330	0.9
467.13254	2.5
565.15521	2.3
581.39893	0.7
583.16449	4.0
717.22559	2.9
733.21851	6.0
857.23859	2.8
873.23206	3.8
931.46466	1.4
1019.26501	62.0
1020.27051	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	1023.353
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59708	0.2
79.95734	29.0
80.96510	3.0
93.03445	0.7
96.96049	0.4
98.28666	0.2
100.43870	0.2
108.02160	0.4
109.02959	2.2
110.97588	0.2
119.04970	0.2
121.02948	6.1
122.03744	4.9
123.00800	0.2
123.04527	0.8
124.01662	0.5
125.02421	0.3
129.03445	0.4
134.03751	0.5
134.20673	0.2
135.04509	0.9
136.01627	0.3
136.05296	0.4
137.02391	1.1
146.03709	0.2
147.04527	2.9
147.48065	0.2
148.05260	0.2
149.06007	0.5
150.03235	0.3
154.02698	0.5
161.06107	0.9
162.12236	0.2
163.04002	0.2
164.04745	0.2
165.05551	12.1
166.05884	0.4
169.01332	0.3
178.06374	0.3
179.07133	4.1
191.07098	0.3
208.07379	0.3
209.08075	0.5
216.00932	0.2
223.09816	0.4
243.96710	0.3
285.11700	0.2
298.12112	0.4
301.10580	0.3
313.14423	0.8
315.12308	1.1
316.12949	0.5
345.13257	0.2
346.14182	5.5
347.14532	0.4
361.16541	30.9
362.16803	1.6
426.09839	0.6
441.12207	100.0
442.12564	5.6
443.12317	0.2
531.38873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59414	1.2
81.03448	3.1
83.01382	7.1
85.02980	1.1
93.03444	3.7
95.05042	2.2
96.95999	9.7
97.02950	2.7
99.04504	2.1
101.02399	1.4
107.05012	1.5
109.02942	4.2
116.92846	1.3
121.02966	3.1
122.03718	1.9
123.04477	2.4
125.02437	39.1
127.37797	0.9
135.04474	2.3
137.02429	34.5
146.03741	13.6
147.04495	1.4
149.02403	2.1
151.03967	2.7
159.04518	6.0
160.05241	2.3
161.06032	1.5
164.01157	11.5
165.01904	25.9
167.03500	12.3
172.05272	3.5
173.06039	2.4
174.03195	6.7
174.06828	1.4
175.03934	2.8
176.04745	1.4
177.01923	4.2
179.03525	7.1
185.06085	1.2
186.06851	1.2
187.03949	3.1
188.04768	6.2
189.05576	1.2
197.06055	1.2
200.04755	3.9
201.05511	3.0
204.04234	4.1
210.06834	1.7
211.04045	1.6
212.04831	5.3
213.05513	1.4
225.05554	3.5
226.06203	1.0
227.07295	1.1
237.05412	1.1
251.07091	1.5
252.07846	1.9
255.13818	2.6
268.07419	1.2
269.11777	3.9
270.08902	2.1
270.12308	1.4
271.13361	19.7
277.21713	13.0
283.13538	2.0
285.14853	2.7
287.12875	1.7
289.14447	2.2
294.09006	3.1
295.13333	1.5
297.14804	2.2
299.13043	5.9
301.14377	2.9
309.14835	1.1
313.14423	10.5
315.15695	1.3
316.12598	1.0
317.13867	2.3
325.14496	7.4
331.15494	1.1
335.16449	2.3
337.14566	5.4
338.14606	0.9
343.15433	3.6
349.18210	1.2
351.15823	1.8
355.15424	1.5
377.17664	6.1
378.90378	1.0
379.15158	1.4
393.16922	1.9
395.18594	3.4
401.17880	1.3
419.18610	7.8
437.19803	4.9
463.17496	3.0
530.09302	1.2
538.51453	1.0
673.28979	1.5
827.45575	16.4
828.45605	2.3
839.45514	7.2
851.45215	5.0
857.46136	6.0
933.49799	7.1
951.48224	2.8
959.47858	3.1
977.49005	79.5
978.49451	11.0
995.50012	100.0
996.50317	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02931	0.2
79.01897	0.2
81.03462	0.7
82.86699	0.1
83.01383	1.8
83.05029	0.5
85.02940	1.9
87.00873	0.3
89.02470	0.8
89.03957	0.2
91.01901	0.6
93.03451	2.9
93.04011	0.2
95.01393	1.0
96.96028	0.6
97.02949	1.1
98.07997	0.1
98.20757	0.1
99.00883	0.5
99.04544	0.5
101.02453	0.6
107.01386	4.7
108.02214	0.4
109.02956	1.8
111.00896	0.2
113.02456	0.4
117.03461	11.4
118.03767	0.2
119.01424	0.4
119.05022	4.8
121.02961	0.6
123.00901	0.5
123.04550	0.3
125.02451	3.8
125.03320	0.3
126.02797	0.2
127.04019	1.5
130.04254	0.5
131.03490	0.2
131.05025	0.6
132.02187	0.4
133.02953	0.4
135.00885	1.7
137.02423	0.8
141.07115	0.4
143.03473	0.3
143.05017	1.8
145.02948	27.8
145.05055	3.0
146.03310	0.5
147.00948	0.2
147.04509	0.3
148.01674	0.2
149.02464	0.3
149.04572	0.4
150.03230	0.8
151.00357	6.8
152.00729	0.1
153.01923	0.3
154.04225	0.6
155.05014	0.7
156.05817	0.5
157.02916	0.2
157.06572	1.3
157.27913	0.1
158.03748	0.2
159.04512	2.3
161.02443	0.3
161.04628	0.2
161.06096	0.4
163.00385	2.8
163.04002	4.5
164.01125	0.9
165.01949	1.7
165.05524	0.9
167.04982	1.0
168.05759	0.2
169.01485	1.1
169.06563	1.2
171.04503	1.4
173.02385	0.3
173.06096	0.5
174.03217	0.2
175.03992	0.3
177.05588	0.2
179.00024	0.2
179.03564	0.2
179.05225	0.1
180.04340	0.7
182.03732	0.4
183.04523	1.5
184.05293	0.5
184.10475	0.1
185.02513	0.3
185.06076	4.5
186.03120	0.2
187.03990	4.8
188.04462	0.1
189.05544	1.6
190.99925	0.2
191.03468	0.2
192.00610	0.3
195.04741	1.1
195.06369	1.2
196.05293	0.4
197.06058	1.3
198.03156	0.3
198.06445	0.1
199.04013	1.3
201.05550	1.5
202.02757	0.1
209.06088	0.2
210.05324	0.1
211.03987	3.6
211.06042	0.2
212.04707	0.5
213.05547	3.1
214.02718	0.6
215.03517	0.6
217.05049	0.2
223.04001	0.4
224.04747	0.2
225.07750	0.5
226.02728	0.3
227.03481	15.2
227.07169	0.6
228.03952	0.5
229.05029	15.2
230.05385	0.5
239.03481	2.3
240.04295	1.0
241.05000	2.5
243.02989	0.7
244.41660	0.1
253.05197	0.4
255.02969	20.7
256.03680	2.8
257.04532	9.4
258.04822	0.2
267.02869	1.2
268.03543	0.3
271.02847	0.2
271.06119	1.8
283.02441	2.6
284.00891	0.3
284.03250	16.7
285.04016	100.0
286.04364	4.3
286.07712	0.2
287.07672	0.4
295.08231	0.2
299.09247	0.2
301.03568	0.4
307.08276	1.6
329.10263	0.5
341.10245	0.4
344.12598	0.6
356.12842	0.3
359.15082	1.1
371.15002	0.6
421.13580	3.9
433.11362	1.8
441.14023	0.8
451.12949	0.5
549.15918	0.7
551.16541	0.2
567.17035	1.4
568.17914	0.2
583.18829	0.4
583.33563	0.2
585.19128	0.1
601.19672	0.2
615.25226	0.7
729.22388	0.4
747.23474	6.0
748.23749	0.4
763.29791	1.2
811.31982	0.3
869.23511	3.3
870.23920	0.3
887.24640	3.7
888.24493	0.4
965.34827	0.2
973.48938	0.3
1033.28174	31.8
1034.28333	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	1033.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59698	0.3
73.02942	0.3
79.95731	0.4
81.03457	0.6
83.01375	1.7
83.05035	0.7
85.02942	2.1
87.00867	0.5
89.02436	1.1
89.03964	0.3
91.01872	0.5
93.03453	2.8
95.01385	1.0
96.96015	1.3
97.02951	1.1
99.00887	0.2
99.04522	0.6
101.02450	1.2
107.01382	4.2
107.90816	0.2
108.02152	0.4
109.02954	1.8
111.62056	0.2
113.02431	0.9
117.03457	10.2
119.03590	0.3
119.05022	4.7
121.02941	0.7
122.69471	0.2
123.00884	0.3
123.04555	0.4
125.02435	4.8
127.03999	2.2
131.05020	0.7
132.02158	0.5
133.02942	0.4
134.03667	0.4
135.00871	1.7
137.02443	1.0
137.34639	0.2
139.70145	0.2
141.07108	0.6
143.05000	1.6
145.02943	23.6
145.04904	2.8
146.03317	0.6
147.04575	0.2
150.03140	0.3
150.87347	0.2
151.00356	6.9
151.03984	0.3
153.01930	0.4
154.04254	0.5
155.05014	0.4
156.05803	0.6
157.06583	1.5
158.03691	0.3
159.04495	2.5
160.01610	0.6
161.02414	0.3
161.04497	0.3
161.06017	0.4
163.00351	3.9
163.03999	3.7
164.01112	0.6
165.01929	1.3
165.05582	0.3
167.04976	1.0
169.01396	1.0
169.06480	1.2
171.04527	1.7
173.02446	0.4
173.06026	0.4
175.03989	0.8
179.03664	0.2
179.05603	1.5
180.04243	0.3
181.05006	0.5
182.03725	0.5
183.04482	2.0
184.05231	0.4
185.02509	0.4
185.06047	4.6
187.03995	5.0
189.05547	1.6
190.99870	0.4
191.03482	0.3
195.04497	1.2
195.06607	0.8
196.05267	0.4
196.06935	0.3
197.06035	1.2
198.03177	0.4
199.03969	1.4
201.05574	1.5
211.02087	0.4
211.03967	3.7
212.04630	0.4
213.01994	0.3
213.05518	2.8
214.02747	0.6
215.03557	0.6
215.76711	0.2
217.04994	0.3
223.03951	0.6
224.04474	0.2
225.29645	0.2
226.02840	0.3
227.03467	16.7
227.06779	1.6
228.03986	0.6
229.05029	16.9
230.05397	0.6
239.03467	2.6
240.04195	0.9
241.05017	2.2
242.02231	0.2
243.03000	1.6
253.05220	0.3
255.02953	25.4
256.03680	3.0
257.04532	9.6
257.06586	0.2
258.04922	0.3
267.02942	1.3
268.03610	0.3
269.04449	0.3
271.02463	2.3
271.06055	2.8
272.06210	0.3
277.07153	1.1
283.02435	3.5
284.03247	17.4
285.04010	100.0
286.04376	4.0
299.01938	0.4
300.02744	2.4
301.03369	0.3
314.04446	0.3
315.05051	4.4
325.09201	0.4
403.10294	1.2
421.11945	0.3
451.14554	3.3
471.15283	0.5
553.18671	0.3
579.17291	0.7
583.18433	0.3
597.18353	2.0
729.22711	0.4
747.23700	1.4
869.23297	2.9
870.24103	0.5
887.24390	3.2
888.24878	0.3
1033.28125	37.3
1034.28491	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	1037.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
72.18747	0.3
72.99294	0.3
73.02946	1.3
75.00883	0.3
78.69163	0.3
78.98586	4.2
79.95734	19.9
80.96513	55.7
81.03450	0.6
83.01389	0.7
84.66620	0.3
85.02956	1.1
87.00863	1.7
94.26752	0.3
94.98086	12.6
95.01379	0.3
96.95997	1.3
97.02954	1.6
99.00859	0.4
101.02432	2.0
106.98077	2.5
113.02438	0.4
122.97562	1.8
125.02444	3.0
127.03996	0.8
134.96625	0.6
134.97575	5.8
136.16576	0.3
136.99155	1.4
137.02431	1.2
146.03720	0.3
146.90506	0.3
146.97543	0.5
148.99138	5.2
150.03166	0.4
152.98621	5.1
161.04599	0.4
164.98618	15.0
165.01845	0.6
167.00180	0.5
167.03613	0.4
174.03288	0.4
175.03990	0.6
179.00223	0.3
188.98480	0.3
206.99672	3.0
225.00731	24.8
241.00255	0.5
255.23235	1.0
269.11685	0.3
271.13354	0.7
283.05026	2.2
317.14020	0.4
325.14594	0.3
327.74863	0.3
341.05460	0.8
343.15515	0.5
355.06900	0.9
397.12787	0.3
408.93140	0.3
411.13177	0.9
537.27429	2.4
553.27197	0.3
609.29681	1.1
619.85712	0.3
623.30847	0.6
643.20764	1.1
665.35620	0.5
679.24170	0.3
679.36743	1.5
719.40686	0.4
827.42725	2.4
861.48999	0.3
899.44623	10.0
900.45135	1.0
1037.47791	100.0
1038.47961	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	1039.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95732	7.5
88.98805	0.1
96.96005	100.0
97.95935	0.2
101.02435	0.1
113.02389	0.1
140.12410	0.1
224.15573	0.0
257.02078	0.0
292.02475	0.1
304.01572	0.1
533.13904	0.1
619.77075	0.1
701.34723	0.1
807.72290	0.1
941.47009	0.5
942.46643	0.1
969.42224	0.1
979.42700	0.2
1039.44141	1.3
1040.44568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
75.16479	0.0
79.95731	6.3
80.96516	0.3
81.64049	0.0
96.96018	0.9
98.19838	0.2
101.05498	0.1
101.06110	0.2
116.05042	0.4
119.78592	0.0
128.05051	0.2
130.06667	0.3
140.05083	0.1
142.06615	100.0
143.06956	2.5
143.07808	0.0
158.06105	4.2
159.06462	0.1
172.03949	0.1
186.05582	1.7
187.05830	0.1
204.06630	0.2
209.11957	0.1
209.86601	0.1
222.02280	43.7
223.02597	1.2
238.01772	5.2
239.02095	0.2
266.01239	3.0
294.66345	0.1
368.08044	56.2
369.08347	2.4
498.57254	0.1
890.63910	0.1
1042.43811	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	2.5
73.02942	2.4
73.75944	0.1
75.00871	1.5
79.95734	0.2
81.03468	0.2
83.00903	0.2
83.01382	2.7
84.02168	0.2
85.02944	11.2
86.00091	0.4
87.00867	2.4
89.02438	6.8
95.01382	4.4
96.95375	0.2
96.96001	3.0
96.99295	0.4
97.02939	0.6
98.95562	0.5
99.00874	2.8
101.02435	6.7
109.02937	0.4
109.47289	0.1
111.00870	0.6
112.01653	1.0
113.02440	10.6
119.03471	0.8
125.02444	0.3
129.01926	0.1
131.03493	10.4
137.02423	0.4
139.00357	0.8
143.03497	0.2
149.04514	0.9
157.01385	0.7
161.04562	0.4
167.03452	0.1
191.05597	7.6
192.05884	0.1
207.05133	0.2
233.06598	0.2
281.45847	0.1
290.34274	0.1
301.05545	0.1
325.25848	0.1
339.09180	0.1
387.26962	0.2
403.29959	0.4
405.27982	0.3
407.29535	0.4
421.31027	1.2
422.31296	0.2
423.27994	0.2
423.33496	0.5
425.30612	0.3
439.32108	5.4
440.32050	0.2
441.33670	2.6
453.29587	0.2
459.34348	0.1
485.32669	0.2
509.36481	0.6
537.36279	0.5
539.33630	0.3
651.41180	0.1
743.40240	0.1
863.44403	0.7
911.47089	0.2
1025.47656	0.4
1043.50549	100.0
1044.50903	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	1045.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	2.8
73.02946	2.5
73.06268	0.2
75.00886	1.2
79.95731	0.6
83.01382	3.3
85.02944	12.0
86.00098	0.5
87.00869	2.4
89.02446	7.5
89.03004	0.4
95.01384	4.7
95.16260	0.2
96.96017	4.9
97.02940	1.0
98.19900	1.0
98.95592	1.7
98.96414	0.3
99.00878	2.5
100.20611	0.3
101.02435	7.0
101.37776	0.3
109.02923	0.5
111.00861	0.5
112.01640	1.3
113.02447	11.2
118.29755	0.3
119.03488	0.7
125.02431	1.0
131.03496	10.9
137.02440	0.8
139.00372	1.0
143.03500	0.5
149.04536	0.7
149.97253	0.3
157.01398	0.9
161.04530	0.9
163.07585	0.4
165.01903	0.5
191.05583	7.2
229.79358	0.4
233.13992	0.3
348.41086	0.3
421.31213	0.4
423.32819	1.3
439.32162	0.9
441.33719	3.9
443.35349	0.4
511.38120	0.6
539.38141	0.4
748.65100	0.3
758.29889	0.3
865.45776	0.5
877.45868	0.5
913.46533	0.3
971.48529	1.9
972.49103	2.5
973.49249	0.9
1001.54102	0.4
1027.47925	1.3
1028.49316	0.4
1045.52161	100.0
1046.52490	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95315	0.2
79.95731	3.5
95.00935	0.1
95.94653	0.1
95.95205	0.6
95.95696	0.1
96.96010	75.9
97.95964	0.1
98.20656	0.1
151.11266	0.1
163.11298	0.2
181.12329	0.1
271.02432	0.1
273.08038	0.1
300.02750	0.2
305.10617	100.0
306.10916	3.4
518.01947	0.1
694.31683	0.1
741.06708	0.1
741.18359	0.4
878.82312	0.1
1047.31213	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
77.39874	0.2
78.50189	0.3
79.22683	0.2
81.03454	0.3
83.01380	3.8
85.02966	0.6
89.02454	0.3
91.01888	0.7
93.03452	1.5
95.01379	0.5
96.96022	0.6
98.57886	0.2
99.00866	0.2
101.02416	0.4
105.34454	0.2
107.01382	11.5
108.02171	1.6
109.02950	4.3
111.00820	0.3
113.02436	0.3
114.98357	0.2
117.03463	3.5
119.01395	0.7
119.03455	0.2
119.05019	6.0
121.02951	8.8
123.04521	0.2
124.01637	0.3
125.02427	1.2
127.04009	0.4
131.05038	0.3
133.02956	0.8
135.00858	1.6
135.04539	0.3
139.04004	0.5
143.04953	0.4
145.01866	0.2
145.02945	4.7
145.05029	0.9
146.03613	0.4
147.00882	0.4
147.04546	0.5
148.01666	1.4
149.02451	1.1
151.00354	47.2
152.00783	0.7
153.01900	0.3
155.04951	0.3
157.02875	0.3
157.06569	0.5
159.04477	1.4
161.02415	1.1
162.03236	0.2
163.00366	4.6
163.03992	3.7
164.01164	1.4
165.01947	0.5
167.05003	0.6
169.01437	1.6
171.04491	0.8
173.02423	0.3
173.06017	0.4
174.03203	0.7
175.03981	1.0
178.99844	23.7
180.00198	0.6
182.03673	0.3
183.04510	1.7
185.02419	0.4
185.06070	0.4
187.03963	1.8
189.01913	0.2
189.05490	0.4
190.99887	0.7
192.00609	0.8
193.01425	1.0
197.02510	0.3
198.03189	0.6
199.03972	3.9
200.04584	0.3
201.01968	1.2
201.05516	1.6
203.03467	1.2
205.05022	0.6
211.03966	2.7
212.04657	0.3
213.01822	0.5
214.02591	0.6
215.03525	2.3
216.04277	0.8
226.02649	2.3
227.03488	6.4
227.07021	0.3
228.04132	0.4
229.01468	0.5
229.05046	2.2
230.02132	0.3
231.02951	0.3
239.03398	0.6
242.02066	0.4
243.02954	14.3
244.03522	0.6
245.04462	2.8
254.02174	2.7
255.02962	29.2
256.03482	1.5
257.04456	0.8
266.02060	0.3
271.02448	76.2
272.02939	5.4
273.04019	3.3
279.47220	0.2
283.02386	2.1
284.03180	0.4
285.04028	0.9
299.01944	21.0
300.02716	78.5
301.03479	87.3
302.03845	3.6
313.03516	0.3
314.00705	0.3
329.02701	0.3
408.98932	0.5
421.13220	0.6
549.15320	0.3
705.15662	0.3
747.23425	0.7
885.23096	2.8
903.24072	10.4
904.24377	1.1
1049.27673	100.0
1050.27991	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.3
83.01380	4.8
85.02965	1.2
89.02476	0.7
91.01903	0.7
91.69608	0.3
93.03452	2.1
93.59257	0.2
95.01425	0.4
96.95998	0.9
100.55116	0.3
101.02451	0.5
107.01387	13.4
108.02186	2.1
109.02956	4.6
109.59174	0.3
111.00848	0.4
113.02425	0.6
117.03461	3.5
119.01383	1.0
119.05030	5.9
121.02953	9.4
123.00906	0.4
124.01668	0.3
125.02429	1.6
127.03986	0.5
131.04961	0.3
133.02948	1.2
135.00903	1.6
135.04463	0.4
137.02422	0.4
139.04010	0.5
143.05023	1.0
145.02951	6.2
145.05054	1.1
147.00899	0.5
148.01653	1.6
149.02461	2.1
151.00362	52.7
152.00803	0.6
155.05051	0.3
157.03026	0.3
157.06586	0.5
159.04483	1.5
161.02420	1.8
161.06067	0.4
163.00377	5.6
163.03998	4.0
163.26407	0.3
164.01161	1.9
165.01921	0.5
167.04987	0.4
167.07248	0.2
169.01479	2.2
171.04492	1.4
173.02368	0.5
173.06050	0.5
173.62508	0.3
174.03270	0.3
175.03976	1.2
178.99850	26.4
180.00140	0.6
182.03653	0.4
183.04472	1.6
185.02423	0.4
185.06055	1.0
187.04008	2.5
189.01868	0.3
189.05449	0.5
190.99878	0.9
192.00555	1.0
193.01501	1.2
193.02963	0.3
197.02499	0.3
198.03146	0.8
199.04004	4.1
201.01904	1.3
201.05582	1.8
202.02724	0.3
203.03516	1.2
205.04944	0.4
211.03973	2.9
212.04709	0.5
213.01884	0.6
213.05530	0.5
214.02628	0.5
215.03520	1.9
216.04262	0.9
217.05086	0.3
226.02707	2.8
227.03484	6.5
227.07008	0.3
228.04060	0.6
229.01376	0.7
229.04991	3.8
231.02951	0.4
239.03484	1.2
240.04153	0.3
242.02130	0.4
243.02963	15.7
244.03487	1.0
245.04491	2.9
254.02158	3.2
255.02969	35.8
256.03424	1.9
257.04547	1.6
266.02332	0.3
271.02457	86.8
272.02960	5.4
273.03995	4.0
283.02420	2.1
284.03268	0.9
285.04047	3.2
291.10858	0.5
292.54572	0.2
298.98450	1.4
299.01926	24.0
299.95755	0.4
300.02728	84.6
301.03491	96.0
302.03857	4.3
314.00577	2.1
327.04779	0.3
329.02969	2.5
358.02277	0.3
408.99072	1.5
421.13312	0.6
567.16797	0.4
613.17419	0.4
747.23480	0.7
763.22034	0.3
885.22906	3.8
887.22900	0.6
903.24158	12.6
904.23212	1.2
989.49677	0.8
1049.27722	100.0
1050.27869	15.8
1057.57385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	3.6
85.02943	1.5
89.02442	0.8
91.01904	0.9
93.03451	1.8
95.01372	0.8
96.96003	0.7
98.20596	0.6
99.00835	0.5
101.02450	0.6
107.01385	11.2
108.02164	1.7
109.02948	4.1
113.02416	0.9
114.62206	0.3
117.03464	3.3
119.01420	0.7
119.05018	5.7
121.02948	7.8
123.00889	0.4
123.04494	0.3
124.01678	0.5
125.02458	1.1
127.03957	0.4
131.05069	0.4
133.02931	0.9
135.00827	1.7
137.02441	0.6
139.03966	0.3
143.05019	0.7
145.02945	5.1
145.05016	0.6
147.00877	0.5
147.04532	0.3
148.01700	1.3
149.02429	1.5
151.00359	46.3
152.00757	0.7
155.05035	0.6
157.02905	0.5
157.06522	0.4
159.04474	1.1
161.02472	0.5
161.94208	0.3
163.00383	4.8
163.03992	3.1
164.01097	1.0
165.01901	0.8
167.73138	0.3
169.01431	1.7
171.04504	1.4
175.04008	1.2
178.99850	23.1
180.00197	0.5
183.04471	1.5
185.02440	0.5
185.06023	0.6
187.04005	2.4
188.04779	0.6
189.02011	0.4
190.99831	0.8
193.01418	0.9
197.02478	0.3
198.03131	0.8
199.03987	4.2
201.01942	1.3
201.05472	1.1
203.03496	1.2
205.05072	0.5
211.03969	2.7
213.01888	0.5
215.03505	2.0
216.04283	0.6
217.04961	0.4
221.06369	0.3
226.02650	2.3
227.03476	6.0
228.04048	0.5
229.01436	0.4
229.05054	2.9
239.03407	0.7
242.02167	0.7
243.02962	14.9
244.03471	1.0
245.04526	3.0
254.02176	2.8
255.02969	30.9
256.03430	1.4
257.04538	0.9
271.02460	78.7
272.02933	4.8
273.03897	3.0
283.02353	2.3
284.03201	0.6
285.00528	0.4
285.04044	2.0
286.04291	0.9
297.97543	1.1
299.01953	23.0
300.02728	80.9
301.03491	83.9
302.03833	2.9
312.99728	2.0
314.00116	0.7
328.02304	2.6
329.02820	0.9
329.97153	0.4
342.22235	0.4
343.04544	5.5
344.04950	0.9
363.12512	0.3
451.14215	0.6
747.23676	0.4
885.23444	2.6
903.24103	6.3
904.24170	0.5
1049.27710	100.0
1050.27917	13.8
1050.50281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01374	17.0
68.96152	1.8
71.57976	2.4
72.99303	62.7
75.00872	19.3
77.35609	1.6
96.24142	1.6
98.20452	2.0
103.00387	1.8
105.01929	100.0
106.02299	2.6
118.99158	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	1055.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03989	0.8
93.03453	1.2
95.01368	2.5
96.96001	1.8
107.05023	1.0
109.02925	2.7
115.05511	1.4
117.03450	1.7
119.05006	2.0
121.02956	1.5
123.00878	6.7
123.04527	2.8
124.01603	1.3
125.02438	5.4
129.03423	1.2
131.05003	1.6
133.02957	2.0
137.02385	1.9
143.05028	1.8
145.02972	5.0
147.04514	3.4
148.04971	1.1
149.02449	1.9
151.04039	1.6
151.82738	1.0
157.02943	2.4
159.04488	6.1
161.02402	3.5
163.00298	1.8
163.03999	2.9
167.04836	1.1
169.02908	1.4
171.04494	3.5
173.02403	4.0
173.05905	0.9
175.03996	5.7
177.01878	3.4
177.05638	1.1
181.06624	1.0
183.04445	1.7
185.02419	4.7
186.64400	0.9
187.03935	4.7
189.01920	4.0
190.02658	2.2
191.03465	5.1
193.01361	1.8
195.04495	1.3
197.02454	1.8
199.04001	3.0
200.01077	2.0
201.01878	7.7
201.05420	1.0
202.02635	2.0
203.03487	12.2
203.07280	1.0
205.01431	2.2
205.04878	1.1
210.03339	1.0
211.04050	2.2
213.01895	2.5
213.05563	1.5
214.02596	2.8
215.03462	7.9
215.23378	0.9
216.00580	1.5
217.01379	4.5
217.04913	1.0
218.02126	1.1
219.02890	1.6
223.03865	1.4
225.01949	2.4
227.03539	5.5
228.00562	2.0
229.01410	14.2
229.05013	2.3
230.02109	2.4
231.02962	17.0
235.04077	1.2
237.05498	1.4
239.03423	3.2
240.04106	1.5
241.01425	1.8
241.05045	2.2
242.02141	2.3
243.02950	11.4
244.00055	2.2
245.00859	10.1
245.04530	1.4
246.01566	2.0
247.02452	6.3
249.01573	1.2
249.04008	22.7
251.03383	4.3
252.04128	2.0
253.01421	7.9
253.04875	1.3
254.01981	1.3
255.02820	2.0
257.00885	13.7
257.04773	1.1
258.01605	5.8
259.02365	5.8
261.00299	1.8
263.03391	1.6
264.04169	1.0
265.05048	2.6
266.02219	1.2
267.02997	3.5
267.06650	1.4
269.00897	2.6
269.04510	2.5
270.01633	1.5
270.98837	1.4
271.02380	10.5
272.02930	2.1
273.00345	9.7
273.03500	1.9
274.01141	10.4
275.01947	54.4
276.02283	1.6
279.02921	2.2
280.03906	1.4
281.00879	3.1
281.04376	2.0
282.01614	2.4
282.99399	1.0
283.02451	3.7
283.99521	2.8
284.03149	2.9
285.00647	2.1
285.04034	4.2
286.01071	2.8
287.01944	13.1
288.02631	3.6
288.99759	1.1
289.07129	1.8
291.01270	5.8
293.04370	3.2
295.02353	6.1
296.03006	1.3
297.00217	2.8
297.03812	2.2
298.01184	6.0
299.01944	100.0
299.99066	13.9
300.02493	8.3
300.99896	71.0
301.03366	7.5
302.00061	2.8
309.03940	3.9
310.04526	1.0
311.01877	3.6
311.05267	1.2
312.02621	3.4
312.99902	3.1
313.03500	9.2
313.06976	1.7
314.00610	7.5
314.04053	1.8
315.01437	28.4
315.04965	1.6
316.01895	1.2
316.99338	1.8
317.02560	5.1
321.03735	1.8
323.01993	5.9
324.02634	3.9
325.00003	1.7
325.03391	4.8
326.04172	1.2
327.01395	4.7
327.04919	1.8
328.02209	2.5
329.02972	6.6
336.99884	1.0
337.03458	5.2
338.04196	1.8
339.05066	5.3
340.02139	1.9
340.98962	2.1
341.02960	26.5
342.03217	2.0
343.00906	30.8
343.04947	2.1
344.01239	1.4
349.03186	2.0
351.05002	3.0
353.02853	1.4
355.04401	2.2
358.76627	1.1
359.03952	4.4
365.03012	9.2
367.00064	1.4
367.04428	9.5
369.06073	1.2
373.06213	1.1
383.03961	8.7
385.05414	5.7
393.06015	1.8
401.05106	8.5
403.02713	2.0
407.03342	1.0
419.06195	13.6
420.98660	0.7
421.04086	18.9
437.05075	3.2
463.05093	3.5
589.09955	3.0
600.78888	0.9
647.14740	1.4
659.06848	6.0
677.07709	2.9
685.04596	4.1
691.13300	2.1
702.93909	1.9
703.05811	30.6
704.05951	2.8
709.13727	6.7
721.06732	46.6
722.06903	3.9
747.04846	3.9
765.05670	98.4
766.06317	10.7
779.40625	0.9
859.10297	1.2
949.14014	1.2
1011.14453	10.8
1012.15143	1.4
1055.13354	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	1055.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.6
93.03448	0.9
95.01408	3.1
95.05014	0.5
96.96021	1.3
101.03998	0.5
109.02963	1.9
111.09233	0.5
115.05585	0.7
117.03423	0.9
119.05018	1.4
121.02966	1.3
123.00890	5.7
123.04507	2.1
124.01663	1.0
125.02448	5.1
129.03447	1.0
131.05032	1.6
133.02956	2.5
135.04533	1.3
137.02428	2.0
143.01234	0.6
143.04990	1.4
145.02979	4.3
147.04492	1.9
149.02403	2.1
151.03996	2.3
157.02919	1.7
159.04498	5.8
161.02438	3.9
161.05988	0.7
163.00375	0.8
163.03943	2.5
164.01132	0.8
165.01848	1.2
167.04935	0.7
169.02982	0.7
171.04480	3.3
173.02444	4.3
173.06068	0.8
174.03191	1.1
175.03960	5.1
176.01106	0.6
177.01872	3.5
179.03537	0.8
182.03749	0.6
183.04523	0.9
185.02412	4.0
186.03189	1.0
187.04015	5.2
189.01894	3.7
189.05550	0.8
190.02733	2.7
191.03531	3.4
193.01433	1.1
195.04541	1.1
197.02365	1.7
197.06044	0.7
198.03093	1.2
199.04004	3.4
200.01083	0.8
201.01888	6.5
201.05562	0.8
202.02678	1.6
203.03481	12.5
205.01353	1.8
209.06013	1.1
211.04051	1.9
213.01965	3.2
213.05484	1.7
214.02711	2.3
214.99895	0.7
215.03482	5.6
216.00591	1.6
216.04333	0.8
217.01422	3.6
218.02139	0.9
219.02856	2.7
221.00885	1.1
221.04417	1.4
223.03960	1.4
225.01894	1.9
225.05574	1.3
226.02744	1.2
226.99905	0.6
227.03493	5.2
228.00627	1.4
229.01398	15.3
229.05045	1.4
230.02147	2.3
231.02951	15.5
237.05705	1.1
239.03491	2.4
240.04318	0.7
241.01378	1.4
241.05034	1.7
242.02220	2.2
242.99228	0.8
243.02928	7.9
244.00066	1.5
244.03502	0.7
245.00868	8.5
245.04543	1.1
246.01378	1.1
247.02420	5.7
248.03197	1.1
249.03975	18.2
250.04500	0.7
251.03528	2.6
252.04233	0.6
253.01401	5.3
253.05078	1.1
254.02156	0.9
255.02969	2.6
256.03763	1.0
257.00900	12.1
257.04608	1.3
258.01672	6.6
259.02451	5.1
261.00363	0.9
263.03519	0.7
264.50626	0.7
265.01331	0.6
265.05066	1.8
266.02344	0.8
267.02972	4.4
267.06345	1.2
268.63794	0.5
269.00867	2.8
269.04608	1.6
270.01535	1.1
270.99176	1.3
271.02448	9.8
272.00064	0.6
272.03210	2.0
273.00430	8.2
273.03760	1.4
274.01144	8.9
275.01950	54.0
276.02136	1.3
277.05185	0.9
279.02924	1.9
280.03763	1.0
281.00882	3.3
281.04581	1.6
282.01556	2.6
283.02432	2.7
283.99649	1.2
284.03281	2.0
285.00360	2.2
285.03995	2.5
286.01172	1.8
287.01962	8.9
288.02548	2.7
288.99808	0.8
291.01398	5.3
293.04449	2.4
295.02374	4.3
296.03168	1.0
297.00403	2.8
297.03986	2.2
298.01181	4.5
299.01944	76.0
299.99091	9.9
300.02576	6.6
300.99918	59.5
301.03391	6.3
302.00269	2.1
308.03247	1.4
309.03946	3.3
310.01163	0.7
311.01996	3.8
311.05316	0.8
312.02704	2.0
312.99902	2.2
313.03537	7.8
314.00598	5.3
315.01440	20.0
315.04816	1.0
316.01913	1.0
317.02945	5.4
319.02310	1.1
321.04034	1.7
323.01984	5.4
324.02710	4.2
325.00146	1.0
325.03506	3.9
325.07071	0.9
326.04080	0.8
327.01407	4.2
327.05109	1.1
328.02182	2.3
329.03101	4.8
337.03516	3.8
338.04227	1.6
339.05023	4.7
340.02246	1.3
341.02972	21.6
342.03345	1.2
343.00906	22.3
343.04480	1.0
344.01172	1.0
347.05484	0.9
349.03568	2.5
351.05072	1.2
353.03027	1.2
355.04480	1.7
359.04001	3.3
365.02832	6.3
365.06558	0.7
366.03741	0.9
367.04578	6.3
368.05136	0.7
371.04150	1.8
383.04144	6.9
385.05777	2.6
393.06180	1.8
401.05182	5.3
403.03149	2.2
419.06342	7.8
421.04092	11.7
422.04254	0.9
437.04886	1.3
445.04446	0.8
463.05212	2.3
511.88876	0.7
545.10443	0.6
571.09174	1.1
589.09961	2.2
629.12347	0.7
647.14386	0.6
659.06744	4.9
677.07416	1.7
685.04779	2.2
691.12775	1.2
703.05707	25.7
704.05841	2.4
709.14014	8.4
710.14520	0.7
721.06787	38.2
722.07336	3.3
737.06909	0.9
747.04840	2.5
765.05737	100.0
766.06073	8.6
859.10052	1.1
949.14813	1.3
993.13513	2.0
1011.14728	15.1
1012.15283	2.1
1055.13611	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	1055.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	2.6
75.00870	1.4
78.81287	0.2
79.95734	1.1
81.95300	0.3
83.01385	2.2
85.02942	8.7
86.00090	0.6
87.00874	3.2
88.98785	0.2
89.02438	7.2
95.01378	5.5
96.96004	12.1
96.99319	0.5
97.02941	1.0
97.95930	0.2
98.95586	3.5
98.96403	0.5
99.00875	2.3
101.02435	10.1
104.10343	0.2
109.02966	0.3
111.00856	0.8
111.86980	0.2
112.01665	1.0
113.02443	11.1
119.03479	2.2
125.02419	0.5
129.01895	0.1
131.03490	4.8
137.02400	0.3
139.00378	1.0
143.03477	0.7
156.33324	0.2
157.01390	0.5
159.03006	0.8
159.04106	0.2
161.03230	0.3
161.04538	5.7
172.63638	0.2
179.05542	1.2
221.06635	6.2
263.07681	0.4
289.38098	0.2
300.27783	0.2
405.27588	0.3
407.29495	1.3
408.29828	0.2
421.31082	5.3
422.31357	0.5
423.32654	8.4
424.32968	0.6
467.31705	0.4
479.34610	0.2
491.35410	0.5
519.34735	0.6
521.32654	0.4
875.44055	1.1
893.46387	0.3
905.19904	0.2
1055.50586	100.0
1056.50854	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	1055.506
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	2.3
75.00866	1.2
79.01845	0.1
79.94199	0.2
79.95731	0.3
83.01378	3.3
83.01874	0.2
85.02947	9.3
86.00093	0.3
87.00874	2.2
88.98788	0.2
89.02440	9.1
93.03439	0.4
95.01377	5.4
96.95995	1.8
96.99294	0.2
97.02954	1.0
98.95594	0.3
99.00883	2.4
101.02435	8.7
109.02940	0.4
111.00887	0.8
111.01537	0.2
112.01649	1.0
112.33978	0.2
113.02441	9.5
119.03513	1.1
125.02427	0.5
129.01874	0.1
130.75519	0.2
131.03490	9.0
137.02431	0.5
139.00346	1.0
143.03461	0.5
149.04543	2.0
157.01405	0.8
161.04564	0.9
179.05524	0.2
191.05597	6.3
192.05821	0.2
197.07626	0.2
208.57916	0.2
233.06636	0.6
239.14398	0.2
392.13675	0.2
405.27783	0.4
407.29523	1.5
421.31100	5.5
422.31534	0.5
423.32657	9.5
424.33240	0.8
465.34061	0.2
467.31729	0.2
491.35367	0.3
519.34595	0.6
521.32623	0.3
532.49542	0.2
583.07532	0.2
699.41199	0.2
725.38794	0.3
743.39972	0.2
875.44415	1.4
876.45001	0.2
923.46869	0.4
1055.50574	100.0
1056.50806	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	1057.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	2.6
75.00870	1.5
83.01385	2.3
85.02946	9.7
86.00089	0.5
86.86494	0.2
87.00871	4.1
89.02438	7.6
95.00803	0.4
95.01382	5.8
96.95993	0.9
96.99261	0.4
97.02928	1.0
97.06566	0.3
97.39231	0.2
99.00868	2.4
101.01783	0.5
101.02441	9.9
109.02940	0.3
111.00848	0.8
112.01678	1.1
113.02440	12.1
119.03485	1.8
122.66405	0.2
125.02421	0.7
129.01915	0.3
131.03494	4.8
137.02380	0.5
139.00375	1.1
143.03455	0.8
149.04436	0.3
157.01367	0.9
159.02975	0.8
161.03238	0.4
161.04539	6.4
162.04858	0.2
179.05602	1.4
185.03909	0.2
221.06650	6.3
263.07776	0.3
387.27100	0.5
389.28577	1.0
407.29355	1.0
421.31329	0.4
423.32675	7.3
424.32870	0.4
425.34293	1.0
443.35010	0.4
469.33218	0.3
493.36734	0.7
521.36389	0.5
629.04449	0.3
877.45184	1.0
880.98059	0.3
1057.52148	100.0
1058.52502	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	2.0
75.00861	1.3
83.01379	3.6
85.02943	7.9
86.00101	0.5
87.00865	2.4
89.02433	8.7
93.03410	0.3
95.00811	0.4
95.01382	5.7
96.96005	0.6
96.99302	0.2
97.02922	0.7
99.00863	2.5
101.02432	8.4
102.59573	0.2
104.30979	0.2
109.02999	0.4
111.00867	0.6
112.01649	0.7
113.02439	10.2
119.03465	1.0
125.02447	0.5
129.01924	0.3
131.03491	8.4
137.02405	0.7
139.00333	1.1
143.03508	0.4
149.04529	1.4
151.11237	0.3
157.01395	0.7
161.04567	0.8
179.05707	0.2
191.05595	6.3
207.52972	0.2
208.33789	0.2
231.95020	0.2
233.06616	0.5
249.55327	0.2
257.25839	0.2
387.26932	0.7
389.28406	1.3
390.28827	0.2
390.43997	0.2
407.29175	0.9
421.31125	0.3
423.32626	8.0
424.33179	0.6
425.34244	0.9
469.33160	0.4
493.36975	0.4
521.36237	0.5
523.34015	0.2
571.68402	0.2
594.09106	0.2
701.42126	0.3
805.29437	0.2
877.45721	0.9
1057.52112	100.0
1058.52368	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	1063.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42200	0.1
77.30242	0.2
81.03454	0.5
83.01371	1.4
83.05037	0.3
83.13387	0.1
85.02937	1.9
85.83904	0.1
87.00873	0.4
89.02442	1.0
89.03943	0.3
91.01873	0.7
93.03458	2.8
95.01368	0.8
96.96013	0.7
97.02958	0.7
99.00871	0.5
99.04514	0.2
101.02442	1.4
101.18655	0.1
107.01383	4.0
108.02210	0.4
109.02941	1.6
113.02442	1.1
116.02671	0.2
117.03463	14.3
118.03796	0.2
119.01377	0.3
119.03543	0.3
119.05020	6.2
121.02875	0.4
123.00901	0.4
123.04520	0.4
124.01673	0.2
125.02439	3.0
126.02806	0.1
127.04002	1.1
130.04233	0.4
131.05013	0.5
131.54732	0.1
133.02959	0.4
134.40021	0.2
135.00854	1.1
137.02448	0.7
141.07080	0.3
143.03502	0.4
143.05023	1.8
145.02948	35.5
145.04984	1.4
146.03230	0.7
147.00803	0.2
147.04507	0.3
149.02518	0.2
151.00360	6.4
152.00771	0.1
153.01894	0.4
154.04234	0.7
155.05019	0.7
156.05766	0.7
157.02969	0.2
157.06566	1.2
158.03735	0.4
159.04492	2.4
161.02467	0.3
161.04533	0.4
161.05949	0.3
163.00375	3.2
163.03996	6.9
164.01175	0.7
165.01926	0.8
165.05518	0.2
167.04990	1.0
168.05779	0.3
169.01485	0.9
169.06627	1.1
171.04486	1.2
173.02434	0.4
173.06035	0.6
174.03191	0.3
175.04008	0.2
178.99892	0.3
179.05585	0.6
180.04306	0.2
182.03731	0.6
183.04509	1.5
184.05304	0.6
185.02554	0.3
185.06062	3.9
187.03989	4.5
189.05547	1.6
190.99791	0.2
191.03423	0.1
192.00584	0.2
195.04462	0.8
195.06279	0.2
196.05286	0.4
197.06044	0.9
198.03137	0.4
199.03926	1.0
201.05545	1.6
211.04012	3.4
212.04759	0.6
213.05556	3.1
214.02647	0.5
215.03542	0.7
217.04996	0.2
223.04016	0.3
224.04744	0.3
226.02693	0.3
227.03485	9.7
228.03949	0.4
229.05034	15.6
230.05336	0.5
239.03481	2.1
240.04329	0.8
241.05038	2.3
243.02945	0.9
247.08186	0.4
255.02965	13.4
256.03680	2.1
257.04538	8.8
257.07367	0.2
258.04926	0.3
267.02917	1.0
268.03613	0.2
270.98889	0.2
271.02490	0.7
271.05939	0.2
283.02484	2.2
284.03244	8.4
285.04025	100.0
286.04352	3.3
289.11118	0.7
299.01730	0.2
300.02829	0.8
301.03485	0.9
307.08041	0.9
314.00443	0.3
329.02945	0.3
408.98572	0.2
420.93369	0.2
433.11298	0.9
451.14554	3.1
453.14481	0.2
469.15503	0.7
471.14951	0.3
513.16296	0.2
597.18054	0.3
613.19849	2.0
614.20831	0.2
615.19385	1.6
631.20947	2.2
634.44629	0.2
777.24542	37.2
778.24817	2.9
841.13959	0.2
898.36365	0.2
899.24854	0.6
917.25446	2.2
918.25934	0.2
1063.29309	32.1
1064.29565	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	1069.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00879	1.2
75.06245	0.1
83.01384	2.5
85.02947	6.6
86.00080	0.6
87.00874	3.4
89.02442	7.7
93.03441	0.2
95.01382	5.7
96.95999	0.3
96.99294	0.4
97.02942	1.0
99.00871	1.9
101.02440	10.9
109.02927	0.3
111.00883	0.5
112.01627	0.7
113.02446	10.7
119.03503	2.6
125.02425	0.5
131.03500	3.8
137.02388	0.5
139.00371	0.9
143.03503	1.0
149.04494	0.2
157.01361	0.5
159.02951	1.0
160.06732	0.2
161.04543	5.9
162.04869	0.2
179.05602	1.5
183.48523	0.2
221.06633	6.6
249.06111	0.2
263.07645	0.4
373.25336	0.4
377.45377	0.2
389.28537	1.2
390.29034	0.3
391.29919	0.3
405.31586	6.4
406.31824	0.5
407.32895	0.4
419.29269	0.3
421.40878	0.2
433.27194	0.2
437.30429	0.2
451.32095	0.3
475.35370	0.2
503.34952	0.3
505.33197	0.3
709.39868	0.3
889.46259	1.4
907.47632	0.3
1054.89465	0.2
1069.52124	100.0
1070.52478	13.7
1080.05249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
74.92202	0.4
75.00858	1.5
81.03442	0.6
83.01377	3.0
85.02947	8.3
86.00095	1.0
87.00862	4.2
89.02439	8.5
95.01382	6.6
96.96047	0.7
97.02938	1.1
99.00876	2.3
101.02434	12.3
109.02917	0.5
111.00871	0.6
112.01648	0.8
113.02441	12.1
119.03497	2.4
125.02425	0.8
127.79907	0.3
129.01915	0.5
131.03493	4.3
133.19032	0.3
137.09651	0.4
139.00333	0.9
143.03490	1.2
157.01430	0.6
158.95534	0.3
159.02991	1.1
161.04533	6.2
171.11816	0.4
179.05577	1.5
187.14871	1.9
201.12888	1.1
206.95547	0.3
215.62134	0.3
221.06651	6.1
231.13876	1.0
263.07797	0.4
301.05505	0.3
331.35046	0.3
378.96765	0.3
405.31592	1.8
486.55325	0.4
499.22318	0.4
503.35641	0.4
709.39716	0.7
889.46539	1.5
890.46625	0.4
1069.52100	100.0
1070.52502	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00865	1.1
75.01245	0.1
81.03452	0.2
83.01383	3.0
84.02145	0.1
84.86326	0.1
85.02946	8.6
86.00110	0.4
86.03247	0.1
87.00871	2.4
89.02441	7.8
90.17636	0.1
93.03432	0.2
95.01382	4.4
96.99304	0.3
97.02943	0.8
97.06568	0.1
99.00872	2.5
99.04514	0.2
101.02436	8.8
102.02721	0.1
109.02962	0.5
111.00845	0.5
111.08129	0.1
112.01655	0.8
113.02442	10.4
114.02795	0.1
119.03493	1.0
123.04546	0.1
125.02441	0.3
129.01935	0.2
131.03493	8.0
132.03922	0.1
137.02454	0.4
137.09720	0.2
139.00365	0.9
139.03967	0.1
143.03499	0.3
149.04544	1.7
150.04939	0.1
155.03523	0.1
157.01419	0.7
161.04536	0.9
162.03293	0.1
171.51740	0.1
179.05540	0.1
191.05595	6.7
192.06015	0.1
233.06630	0.4
233.15376	0.1
385.25381	0.1
387.26938	0.2
403.30032	0.6
405.27646	0.6
407.29648	0.4
421.31085	1.4
422.31281	0.1
423.28412	0.3
423.33414	0.9
425.30283	0.4
431.34811	0.1
439.32114	6.6
440.32687	0.4
441.33682	2.9
453.30127	0.2
485.32687	0.4
509.36322	0.5
537.35699	0.4
539.33698	0.2
717.41766	0.1
779.42401	0.2
893.45221	1.3
894.45453	0.1
941.47803	0.3
1011.50250	0.1
1073.51563	100.0
1074.51917	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	1073.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	1.2
83.01384	2.0
84.02138	0.1
85.02946	7.3
86.00094	0.6
87.00871	2.9
89.02438	6.4
89.03008	0.2
95.01383	4.0
95.02000	0.2
96.99316	0.3
97.02942	0.6
98.20650	0.1
99.00875	2.0
99.04518	0.1
101.02438	7.6
109.02968	0.3
111.00884	0.7
112.01663	0.7
113.02446	10.8
114.02766	0.1
119.03493	1.8
125.02440	0.5
129.01904	0.3
130.92017	0.1
131.03497	4.2
135.79326	0.1
137.02429	0.2
139.00371	0.5
143.03482	0.7
149.04588	0.2
157.01419	0.7
159.02956	0.8
161.04543	5.3
179.05597	1.3
219.75427	0.1
221.06645	5.7
222.06964	0.1
263.07697	0.3
292.74069	0.1
403.29813	0.3
405.27679	0.3
407.29437	0.4
421.31198	1.0
423.27994	0.2
423.33368	0.5
425.30472	0.3
439.32120	5.7
440.32388	0.4
441.33679	2.1
442.33588	0.3
459.34674	0.1
485.32654	0.3
509.36224	0.5
514.84882	0.1
537.35620	0.4
539.34033	0.2
723.57776	0.1
893.45129	0.6
911.45300	0.2
1073.51587	100.0
1074.51917	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	1073.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	0.9
79.95739	0.2
81.03474	0.2
83.01378	3.2
84.02175	0.2
85.02948	7.8
86.00095	0.3
87.00871	2.4
87.22894	0.1
89.02439	8.2
93.03481	0.2
95.00801	0.3
95.01382	4.0
96.96014	1.1
96.99322	0.3
97.02946	0.6
99.00882	2.5
101.02442	8.8
106.54139	0.1
109.02924	0.3
111.00872	0.5
112.01642	0.7
113.02444	9.2
119.03493	1.1
121.02984	0.2
125.02427	0.6
131.03494	8.7
132.04646	0.2
134.56264	0.1
137.02426	0.6
139.00368	1.0
139.03986	0.2
142.06627	0.8
143.03473	0.3
149.02524	0.2
149.04536	1.7
157.01425	0.7
161.04514	1.0
167.03358	0.1
191.05591	6.3
192.05919	0.1
199.20930	0.1
215.14427	0.3
233.06693	0.6
238.38988	0.1
289.07068	0.2
355.22321	0.2
368.08029	0.3
385.01382	0.1
387.26813	0.3
389.25076	0.2
405.27756	0.6
407.29449	0.4
421.31247	1.0
423.32828	1.1
439.32132	4.4
440.32764	0.2
441.33768	1.2
442.34457	0.1
485.32654	0.3
509.36194	0.5
533.28754	0.2
537.35858	0.2
539.33990	0.2
717.42133	0.3
721.74756	0.2
779.42621	0.2
893.45544	1.0
941.48547	0.2
1073.51611	100.0
1074.52039	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	1075.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99113	0.1
79.95747	0.2
80.80268	0.1
80.96507	0.2
83.01387	1.3
85.02944	0.5
87.00868	0.3
89.02443	0.6
89.03974	0.2
91.01890	0.6
93.03449	2.2
95.01384	0.7
96.96005	0.5
97.02951	0.5
99.00877	0.3
101.02434	0.4
107.01379	3.2
108.02215	0.2
109.02943	1.1
110.62544	0.1
113.02444	0.5
117.03463	9.9
118.03745	0.1
119.01375	0.2
119.03609	0.2
119.05019	3.5
121.02959	0.5
123.00897	0.3
124.01628	0.1
125.02424	1.9
127.03996	0.3
130.04236	0.4
131.03500	0.3
131.05032	0.6
133.02937	0.2
135.00879	1.1
137.02425	0.6
141.07048	0.2
143.03418	0.2
143.05031	1.6
145.02945	25.1
146.03313	0.5
147.04466	0.2
149.04550	0.6
150.03217	0.3
151.00357	5.7
151.03842	0.1
153.01912	0.4
154.04256	0.6
155.05014	0.5
156.05768	0.5
157.06554	1.1
158.03732	0.4
159.04501	1.7
161.02402	0.4
161.04613	0.3
161.06102	0.4
163.00372	2.1
163.04004	5.1
164.01192	0.7
165.01945	0.6
165.05548	0.1
167.05005	0.8
169.01440	1.1
169.02861	0.2
169.06575	1.1
171.04523	0.9
173.02405	0.4
173.06036	0.4
173.31352	0.1
174.03116	0.2
175.04100	0.2
177.05547	0.2
182.03741	0.2
183.04501	0.9
184.05269	0.3
185.02483	0.2
185.06061	3.6
187.03981	4.2
189.05562	1.2
190.99684	0.1
191.03465	0.1
192.00525	0.1
195.04460	0.7
195.06354	0.3
196.05284	0.3
197.06046	0.9
198.03238	0.3
199.04005	1.0
201.05554	1.1
209.06581	0.4
210.03192	0.2
211.03986	2.6
212.04729	0.4
213.05547	2.6
214.02682	0.5
214.05869	0.2
215.03445	0.5
217.05063	0.2
223.04050	0.3
226.53311	0.1
227.03473	7.8
228.03943	0.3
229.05032	12.4
230.05391	0.4
239.03476	1.7
240.04259	0.9
241.04997	1.8
243.02960	0.6
244.67938	0.1
247.08173	0.2
251.39420	0.1
255.02966	9.2
256.03656	1.5
257.04532	7.8
258.04874	0.3
258.68875	0.1
267.02917	0.9
268.03561	0.2
271.02609	0.2
271.06024	0.3
283.02399	1.4
284.00787	0.1
284.03247	5.5
285.04019	100.0
286.01193	0.2
286.04388	3.3
287.07651	0.3
295.08218	0.2
300.02747	0.2
301.03598	0.2
307.08124	1.2
371.79987	0.1
378.73657	0.2
433.11172	1.2
437.58408	0.1
451.12518	0.3
453.13721	0.2
463.14423	0.7
469.14481	0.2
483.14923	0.2
518.61707	0.1
565.17798	0.2
583.18811	0.5
601.19604	0.2
609.17969	0.2
615.18982	0.3
627.19745	0.2
643.19757	0.2
657.19989	0.6
729.22382	4.0
730.23077	0.3
747.23499	6.3
748.23950	0.6
789.24530	19.0
790.24841	1.9
911.24500	0.4
929.25641	2.1
930.26422	0.1
1033.27344	0.2
1075.29053	15.2
1076.29114	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	1075.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00866	0.8
81.03465	0.1
83.01382	3.1
84.02146	0.2
85.02944	8.4
86.00095	0.3
87.00872	1.9
89.02441	8.6
93.03443	0.1
95.01379	4.2
96.99306	0.2
97.02946	0.8
99.00872	2.3
101.02438	9.5
104.47533	0.1
109.02952	0.3
111.00888	0.5
112.01679	0.7
113.02443	10.3
113.88657	0.1
114.02746	0.1
119.03497	1.0
125.02419	0.3
129.01930	0.2
131.03496	7.9
137.02417	0.4
137.09715	0.2
138.65613	0.1
139.00362	1.1
143.03508	0.4
149.04553	1.8
157.01399	0.7
161.04549	0.8
187.14973	0.2
191.05592	6.9
192.06036	0.2
192.48250	0.1
195.04915	0.1
195.74155	0.1
233.06680	0.7
299.36435	0.1
301.05609	0.1
349.70770	0.1
373.25455	0.2
405.31427	0.3
407.29745	0.2
421.31183	0.6
423.32883	1.5
424.33469	0.1
425.34833	0.2
439.32065	1.4
441.33691	5.2
442.34164	0.4
443.35242	0.6
478.73901	0.1
487.34314	0.2
511.37897	0.4
539.37225	0.4
541.35596	0.2
719.44922	0.1
745.42328	0.2
763.42047	0.2
781.44263	0.3
895.46954	1.1
896.48016	0.2
906.82092	0.1
943.48834	0.2
1075.53186	100.0
1076.53516	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	1075.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	1.4
81.03451	0.2
83.01377	2.1
84.02148	0.2
85.02942	7.8
86.00095	0.6
87.00870	3.3
89.02436	7.1
93.03437	0.1
95.01382	4.3
96.96028	0.2
96.99303	0.2
97.02951	0.9
97.06570	0.1
99.00868	2.0
101.02435	9.2
102.02791	0.1
107.73695	0.1
109.02918	0.2
111.00876	0.7
112.01671	0.9
113.02439	11.1
114.02730	0.1
119.03490	1.9
125.02435	0.4
129.01939	0.4
131.03491	5.3
137.02400	0.3
137.09705	0.2
139.00354	0.8
143.03481	0.8
149.04532	0.2
157.01437	0.7
159.02986	0.9
161.04536	5.6
179.05591	1.6
187.14944	0.2
221.06638	6.4
231.99075	0.1
263.07697	0.3
335.25076	0.1
373.25278	0.3
403.30124	0.2
405.31561	0.4
407.29782	0.2
421.31113	0.5
423.32828	1.3
425.34402	0.1
439.32172	1.2
441.33676	4.9
442.33817	0.2
443.35318	0.6
459.43546	0.1
487.33670	0.2
511.37955	0.5
539.37415	0.4
541.35065	0.3
781.42938	0.1
784.67688	0.1
895.46588	0.4
896.47888	0.1
913.48010	0.3
1075.53162	100.0
1076.53528	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	1079.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95757	0.6
83.01376	3.6
85.02946	1.6
89.02471	0.6
89.04053	0.3
91.01891	0.8
93.03440	2.2
95.01391	0.7
96.96019	2.4
97.02965	0.4
99.00934	0.5
100.65733	0.3
101.02449	1.1
107.01389	11.6
108.02218	1.7
109.02948	4.2
113.02424	0.8
117.03468	3.2
119.01368	1.0
119.05025	5.8
121.02954	8.0
122.03242	0.3
124.01651	0.5
125.02452	2.0
127.04041	0.5
133.02960	1.7
135.00882	1.1
135.04507	0.4
137.02417	0.7
143.05061	0.6
145.02953	5.4
145.05038	0.9
147.00905	0.6
148.01665	1.0
149.02441	1.3
151.00360	42.6
152.00719	0.4
155.04935	0.3
155.19409	0.3
157.02940	0.5
157.06656	0.5
159.04512	1.4
161.02451	1.5
162.03099	0.3
163.00365	4.0
163.03999	4.0
164.01146	1.2
167.05089	0.5
169.01453	2.1
171.04507	1.5
173.06197	0.4
175.03995	1.5
178.99849	22.0
180.00334	0.5
183.04504	1.3
185.06085	0.6
187.03986	2.4
190.99925	0.8
192.00645	1.0
193.01375	0.6
197.02507	0.6
198.03133	0.7
199.03996	4.6
201.01910	1.1
201.05513	1.2
203.03540	1.6
205.05022	0.4
211.03986	2.8
212.04559	0.4
213.02005	0.6
215.03470	2.0
216.04234	0.4
217.05107	0.4
220.51839	0.3
226.02647	1.8
227.03476	5.8
229.04956	3.0
239.03549	0.9
242.02133	0.7
243.02954	13.4
244.03481	1.0
245.04538	2.2
254.02139	2.5
255.02966	29.9
256.03351	1.7
257.04498	1.2
271.02454	76.0
272.03030	4.5
273.04034	3.3
283.02481	2.4
284.03290	0.8
285.04031	3.8
289.11081	0.4
298.98572	1.0
299.01947	20.8
300.02725	71.5
301.03488	76.4
302.03833	2.4
314.00555	2.0
329.03177	1.7
408.98605	0.9
451.14413	1.0
453.08472	0.4
576.39130	0.4
630.67078	0.4
830.46637	0.5
915.24158	2.8
917.23431	0.6
933.25171	8.5
934.26306	0.9
1035.49341	0.5
1079.28748	100.0
1080.29187	11.7
1090.62744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
77.56779	0.4
80.02667	0.3
81.03477	0.4
81.59436	0.3
83.01385	3.6
85.02953	1.2
89.02429	0.6
91.01891	0.6
93.03449	1.7
95.01385	0.6
96.96029	0.7
99.00907	0.4
101.02420	0.8
107.01383	10.2
108.02211	1.5
109.02956	3.1
113.02431	0.6
117.03490	2.7
119.01380	1.0
119.03600	0.3
119.05022	4.9
121.02952	7.2
123.00892	0.3
124.01681	0.3
125.02435	1.6
127.04018	0.7
132.78754	0.2
133.02972	0.9
135.00877	1.1
139.04001	0.6
143.05042	0.8
145.02948	4.7
145.04979	0.7
147.00934	0.4
147.04468	0.7
148.01672	1.2
149.02438	1.1
151.00362	38.8
152.00740	0.9
155.05052	0.3
157.03047	0.4
157.06673	0.3
159.04515	1.3
161.02466	0.8
161.06071	0.3
162.03094	0.3
163.00377	4.1
163.04044	2.8
164.01123	1.4
165.01923	0.4
167.05023	0.6
169.01440	1.8
171.04523	1.2
173.02443	0.3
173.06015	0.5
175.03970	1.5
178.99852	20.4
180.00154	0.3
183.04504	1.4
185.02449	0.3
185.05951	0.5
187.03947	2.0
190.99847	0.6
192.00618	0.7
193.01482	0.7
195.04420	0.3
198.03252	0.9
199.03984	4.0
201.01895	1.2
201.05540	1.2
203.03477	1.2
211.03955	1.9
212.04785	0.3
214.02707	0.4
215.03435	1.8
216.04283	0.7
226.02705	1.9
227.03473	5.7
228.04221	0.5
229.04968	2.5
231.02914	0.4
239.03476	0.7
242.02313	0.4
243.02971	13.8
244.03601	0.6
245.04475	2.6
254.02170	2.1
255.02972	28.0
256.03427	1.3
257.04498	1.2
271.02457	75.6
272.02957	4.8
273.04044	3.0
283.02481	1.7
285.03998	0.8
291.10742	0.4
298.98358	4.3
299.01959	20.6
300.02728	72.3
301.03497	71.0
302.03925	2.3
314.00708	6.1
315.01019	1.2
316.01071	0.3
329.02972	6.5
330.03391	1.2
331.03378	0.4
359.28128	0.4
367.04636	0.3
408.98651	4.1
409.98853	1.3
410.98642	0.8
451.14828	0.4
915.24084	2.4
917.22980	0.4
933.25232	7.4
934.25458	0.8
1035.51855	0.5
1079.28760	100.0
1080.28967	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95752	0.3
81.03446	0.6
82.50426	0.3
83.01385	5.1
85.02957	1.4
89.02447	0.8
91.01902	0.7
93.03450	2.4
95.01381	0.8
96.95992	0.9
97.02968	0.5
99.00883	0.3
99.04521	0.3
101.02445	0.8
107.01386	14.2
108.02175	1.0
109.02953	3.5
113.02451	1.0
117.03471	3.6
119.01360	0.6
119.05026	4.6
121.02955	11.0
123.00955	0.3
125.02437	2.8
127.04013	0.9
130.04237	0.3
132.02220	0.3
133.02957	4.1
135.00865	1.2
135.04550	1.6
137.02420	0.8
139.04004	0.6
143.05032	0.7
145.02956	7.8
145.05008	1.6
147.00874	0.6
147.04462	0.4
148.01662	1.0
149.02362	1.4
150.03229	0.3
151.00363	52.8
152.00713	0.9
154.04175	0.3
155.05089	0.3
156.08876	0.3
157.02992	0.3
157.06541	0.4
159.04524	1.8
161.02432	8.4
161.04462	0.5
161.06075	0.3
162.03154	0.5
163.00369	4.5
163.03976	2.8
164.01180	1.2
165.01895	0.3
167.04987	0.9
169.01422	2.2
171.04529	1.0
173.02396	0.4
173.06020	0.4
174.03183	0.3
175.03983	1.1
177.05548	0.4
178.99852	25.1
179.03413	0.9
179.05612	0.4
180.00241	0.8
181.05122	0.4
183.04457	1.4
185.02467	0.3
185.06070	1.3
187.03935	2.4
189.05563	0.5
190.99849	0.6
191.03778	0.3
192.00627	1.1
193.01392	0.7
195.04575	0.5
195.06581	0.2
196.00244	0.3
198.03181	0.5
199.03967	3.4
201.01918	1.0
201.05508	2.1
203.03517	1.3
205.05026	0.5
211.04027	2.8
212.04735	0.6
213.01868	0.8
213.05511	0.7
214.02736	0.3
215.03516	2.7
216.04283	0.6
217.04982	0.4
226.02704	1.4
227.03479	5.8
227.65240	0.3
228.03984	0.4
229.01410	0.4
229.05005	4.6
230.02251	0.3
239.03435	0.9
240.04152	0.5
241.05119	0.6
243.02957	9.2
244.03548	0.4
245.04489	3.5
253.01559	0.3
254.02177	0.9
255.02963	21.4
256.03577	1.5
257.04562	2.9
271.02460	50.2
272.02960	3.1
273.04074	3.8
283.02417	1.8
284.03235	1.0
285.04028	17.4
286.04303	0.8
286.50607	0.3
289.07401	0.3
291.10980	0.6
299.01950	14.3
300.02731	45.5
301.03500	100.0
302.03821	3.8
323.07755	0.4
341.02499	0.3
355.04837	0.3
385.24698	0.3
447.07303	0.4
451.14554	2.8
467.12424	0.3
487.14484	0.3
583.10382	0.3
595.16577	1.0
597.18115	0.3
599.29822	0.3
613.17535	1.4
615.20496	0.4
619.16467	0.3
631.20758	0.7
656.43213	0.3
775.23120	0.4
777.24664	6.9
778.24713	0.8
793.24426	1.5
915.23999	0.7
917.24817	1.5
933.25031	6.3
934.25397	0.8
995.14386	0.3
1035.48291	0.3
1079.28760	84.7
1080.28955	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	108.0456
Annotation	4-Hydroxyaniline
Peak:m/z	Relative Intensity
50.00333	0.8
58.02989	0.7
65.01444	2.2
66.03471	1.1
67.03017	15.0
68.01394	0.9
71.56385	1.4
71.98972	0.7
79.03015	1.3
81.03464	2.4
82.02997	3.6
84.70688	0.9
91.01897	1.6
93.95570	0.9
107.03766	15.8
108.02176	12.1
108.04558	100.0
109.02950	78.9
109.04008	4.7
109.04887	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	1085.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03444	0.8
83.01388	0.6
89.03934	0.6
93.03431	1.5
95.01392	6.4
95.04989	0.6
96.96014	0.5
97.02903	0.8
98.19896	1.2
101.03912	0.7
102.43007	0.5
105.03462	0.9
107.05039	0.7
108.02143	1.5
109.02947	6.0
109.81522	0.5
115.05489	1.2
117.03450	2.5
119.01358	0.7
119.05003	1.8
119.41015	0.5
121.02957	3.3
121.06519	0.7
122.03757	0.5
123.00885	10.7
123.04533	6.4
124.01681	2.8
125.02443	11.5
129.03430	1.4
130.04211	0.9
131.05000	2.8
132.02190	0.8
133.02946	3.9
133.06546	0.5
135.04472	1.0
137.02428	5.9
139.03973	1.2
143.05009	0.7
145.02940	6.6
146.03668	1.3
147.00821	2.3
147.04515	6.1
148.01605	0.8
149.02414	5.0
149.06029	1.0
150.03143	1.0
151.03972	3.7
157.02931	3.1
158.03773	2.6
159.00859	0.8
159.04510	9.0
160.01617	1.1
161.02432	7.6
161.06036	1.3
162.03116	0.7
163.00389	2.4
163.04007	5.2
164.01091	2.3
164.04703	1.0
165.01923	7.1
167.05003	0.7
169.01404	0.7
169.06557	0.8
171.04532	0.8
173.02437	5.9
173.06027	0.6
174.03162	2.1
175.00410	2.4
175.03983	11.0
176.01152	2.8
176.04391	0.8
177.01920	10.1
177.05505	1.3
178.02495	0.6
178.99780	0.7
179.03432	0.9
183.04379	0.8
185.02426	5.9
185.06029	1.0
186.03113	1.2
187.03964	5.0
188.01083	0.6
188.04709	0.7
189.01949	5.2
189.05460	0.8
190.02695	3.4
190.99825	1.6
191.03462	6.3
192.00685	2.5
193.01491	3.5
193.05049	0.6
194.99330	0.6
195.04454	1.5
195.08127	0.5
197.04341	0.7
197.06004	1.3
198.03159	0.6
199.03998	1.5
200.01138	1.0
201.01900	8.3
201.05641	1.0
202.02684	1.9
202.99844	2.3
203.03484	27.7
203.07170	0.9
204.03966	1.2
205.01396	3.5
205.05008	2.8
206.99338	0.9
209.05898	0.7
210.03304	0.5
211.03969	1.3
211.07608	0.6
212.04686	0.6
213.01920	4.2
213.05327	1.1
214.02643	2.9
215.03484	2.7
216.00662	3.1
217.01387	6.2
217.04863	1.3
218.02121	1.8
218.99297	1.7
219.02919	3.6
221.04459	1.9
221.06265	0.6
223.03917	1.5
223.07687	0.7
224.04733	0.7
225.01981	0.9
225.03712	2.9
225.05846	1.1
226.99815	0.8
227.03433	3.1
227.07042	0.6
228.00575	2.1
228.04211	1.1
228.99120	1.1
229.01410	21.8
229.05006	2.2
230.02069	3.8
230.99272	1.9
231.02960	31.5
232.03310	1.3
233.00920	1.6
233.04311	0.6
234.06882	0.7
235.02414	2.1
236.04816	0.6
237.05507	2.6
239.03545	2.7
239.07150	0.5
240.04178	0.9
241.01323	1.5
241.05019	2.1
242.02159	1.0
242.99319	0.9
243.02956	2.2
244.00171	1.3
245.00876	11.5
245.04436	1.0
245.08189	0.7
246.01402	1.1
246.98874	4.4
247.02338	5.1
247.07822	0.9
248.03098	2.9
249.03983	49.0
250.04332	1.7
251.03514	1.9
251.07253	0.7
252.04156	1.2
253.05142	2.6
254.02136	0.8
255.02919	2.3
255.06528	0.6
256.03589	1.0
257.00879	15.6
257.04510	1.8
258.01624	8.0
259.02298	1.3
261.00348	2.0
261.05746	1.0
263.01669	1.1
263.07187	0.6
264.04172	1.5
265.04993	2.0
266.05737	0.9
267.02951	2.6
267.06509	1.4
268.03711	0.8
269.00766	1.3
269.04398	1.9
269.08673	0.7
270.98801	2.2
271.02438	1.6
271.06146	1.2
273.00439	7.2
274.01059	4.2
275.01947	100.0
276.02133	4.5
277.04965	2.2
277.08359	0.6
278.05508	0.5
279.02939	1.8
279.06540	1.4
280.03836	1.3
281.04474	2.1
282.05322	0.9
283.02576	1.8
283.06024	0.9
283.99643	3.5
285.00461	1.1
285.04166	1.5
286.98734	1.1
287.02020	2.0
287.07083	0.8
289.04404	0.6
289.07373	1.2
290.05643	0.9
291.01373	1.5
291.03607	0.6
291.06549	1.9
292.03735	1.2
293.04672	3.2
294.05231	1.1
295.02386	2.5
295.06067	1.7
296.03165	0.8
297.00638	1.0
297.04068	1.4
298.98285	1.1
299.01746	0.6
299.05936	0.5
299.99084	5.2
300.99866	98.1
302.00140	3.9
303.01404	0.7
303.06522	1.6
304.03708	0.6
305.04382	1.9
306.05173	1.3
307.02664	1.1
307.06091	2.9
308.03287	1.0
309.04004	3.3
311.02014	1.1
311.05594	1.2
312.02643	0.6
312.99878	1.5
313.03622	1.4
315.06619	0.9
317.04553	2.8
318.05267	1.7
319.02078	1.5
319.06073	1.3
320.03336	0.6
320.06870	0.6
321.03098	2.3
321.07434	0.8
322.04788	1.0
323.01959	1.0
323.05600	1.6
325.03708	1.4
325.07385	0.7
326.97968	0.6
327.04980	0.8
328.99341	1.2
329.03152	0.6
330.05411	0.9
331.02539	0.9
331.06161	2.2
332.03137	0.6
333.03918	2.8
333.07614	1.0
334.04715	1.4
335.05414	3.2
337.03458	2.2
338.04437	0.8
341.03616	0.6
343.00824	0.6
343.05576	0.9
345.04016	1.4
345.07718	0.8
346.04691	1.5
347.01675	0.6
347.05606	2.5
349.03400	1.8
350.04150	1.2
351.05109	2.1
355.04758	0.8
355.08362	4.6
356.06894	0.7
357.03809	0.9
358.04431	0.8
359.05405	2.2
360.06506	0.7
361.03357	3.6
361.07358	0.9
362.04401	1.2
363.05005	2.6
364.01947	1.1
364.05972	0.7
365.02792	1.1
365.06882	1.1
367.08432	0.8
371.05273	1.7
373.03232	0.7
374.04358	1.3
375.05228	2.5
376.02115	1.3
377.02917	3.7
377.06973	1.1
378.03683	2.7
379.04446	2.1
379.08618	0.7
387.04773	2.7
388.01614	0.7
389.02777	0.9
391.04367	3.2
392.05151	0.8
399.05270	1.1
400.06052	0.7
401.03012	1.7
403.03400	2.4
403.08173	0.7
405.06696	0.8
406.03168	0.9
407.03995	1.4
409.09607	0.6
411.06113	0.7
413.02676	1.0
414.03882	2.1
415.04190	2.7
416.05405	1.4
417.05814	1.2
419.00357	1.1
421.04089	9.7
421.09277	1.1
429.06708	0.8
431.07312	0.8
433.05597	1.2
439.10663	0.7
444.05215	0.6
445.05780	0.7
447.08661	0.6
449.07169	1.9
457.05487	1.2
457.11389	1.3
465.08377	1.4
467.06104	2.0
469.11816	0.9
470.82220	0.6
471.08847	0.8
475.06607	1.4
475.12607	2.5
493.07614	1.9
499.10461	0.7
511.08853	0.9
525.09888	0.8
528.06982	0.9
531.09467	1.6
539.09680	1.4
541.08417	1.0
543.09485	3.3
547.10699	0.6
551.08447	1.5
555.09021	1.5
557.10059	1.0
559.08862	1.1
565.09814	1.1
566.08533	1.5
567.09229	6.5
568.09277	0.8
568.58270	0.6
569.08923	3.4
573.14844	0.6
575.11798	1.4
581.10474	0.6
583.09583	0.7
585.11023	0.9
587.09174	3.1
591.10040	1.7
593.08057	0.8
601.11554	1.0
609.10126	4.4
611.08185	2.5
617.13074	1.5
619.10846	9.9
620.11499	0.9
625.09070	1.8
627.11420	8.4
635.07825	1.0
643.10614	1.2
645.12549	4.7
653.09473	2.0
659.13953	0.9
661.11963	2.6
663.11395	2.5
671.09869	2.5
677.14758	3.3
685.11945	2.1
689.11487	3.3
695.16833	1.0
703.13135	4.2
707.12415	1.1
721.14124	9.1
722.14368	1.1
739.15057	6.3
741.10986	0.9
751.09039	2.8
752.09125	0.8
771.11932	0.9
783.13647	1.1
795.08948	1.1
801.13263	1.4
813.08832	0.8
820.80774	0.6
827.11237	1.0
839.07214	1.0
845.12134	2.0
871.10730	1.2
889.10974	3.1
903.14063	3.4
933.10602	0.8
947.12604	2.5
965.14581	2.0
975.45972	0.6
979.16174	1.4
991.12604	1.6
997.16309	3.5
1009.14124	1.8
1023.15027	2.0
1041.15576	9.4
1042.16919	1.1
1085.14136	6.3
1086.15808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.516
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00859	1.0
83.01385	2.2
85.02946	7.1
86.00092	0.7
87.00871	3.4
89.02438	7.1
93.03451	0.2
95.01379	5.1
96.96004	0.5
96.99309	0.2
97.02924	1.0
99.00878	2.3
101.02435	11.2
105.50655	0.2
105.87289	0.2
109.02894	0.3
111.00862	0.8
112.01656	0.7
113.02442	10.7
114.02757	0.2
119.03493	2.5
125.02422	0.6
129.01935	0.3
131.03488	3.8
137.02400	0.3
139.00348	1.0
143.03535	1.1
157.01405	0.5
159.02988	0.7
161.04541	6.2
179.05589	1.4
205.03479	0.3
215.14365	0.2
221.06647	7.3
263.07779	0.3
389.24832	1.9
405.27536	1.0
407.29376	0.3
419.29559	2.5
421.31064	5.1
422.31622	0.6
423.32648	3.8
435.29150	0.6
441.33786	0.2
453.30185	0.4
467.31650	0.6
491.35233	0.5
519.34692	0.5
521.32178	0.2
537.35828	0.6
905.45764	1.3
906.45514	0.2
923.46625	0.4
1085.51599	100.0
1086.51892	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5163
Annotation	Camellioside C
Peak:m/z	Relative Intensity
75.00869	1.2
79.76788	0.1
81.03458	0.2
83.01378	2.9
84.02172	0.1
85.02945	6.5
86.00100	0.5
87.00326	0.1
87.00869	3.8
89.02436	7.7
93.03445	0.2
95.01378	6.1
96.96005	0.2
96.99327	0.2
97.02943	0.8
99.00877	2.1
101.02436	11.1
109.02912	0.3
111.00862	0.7
112.01668	0.9
113.02441	11.3
114.02782	0.2
119.03492	2.9
125.02444	0.5
129.01912	0.4
131.03494	4.0
137.02451	0.4
139.00345	1.0
143.03464	1.1
149.04591	0.2
157.01436	0.7
159.02943	0.9
161.04538	6.1
162.04968	0.1
169.46255	0.1
179.05585	1.8
203.14389	0.6
205.03635	0.2
215.14331	0.5
221.06636	6.4
222.07030	0.1
231.10158	0.2
247.53700	0.1
263.07693	0.4
301.05511	0.1
360.50296	0.1
393.27679	0.1
393.31763	0.8
395.33273	0.4
405.27301	0.2
421.31064	7.8
422.31342	0.5
423.32642	4.4
424.33038	0.3
463.35565	0.2
465.95670	0.1
467.31830	0.2
491.35455	0.6
519.34998	0.6
699.41370	0.3
725.38550	0.2
905.45233	1.0
906.46307	0.1
923.46442	0.3
1085.51563	100.0
1086.51904	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	1085.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00862	0.9
77.41467	0.1
81.03429	0.1
83.01376	2.8
84.02174	0.2
85.02944	6.2
86.00103	0.6
86.05391	0.1
87.00333	0.1
87.00871	3.9
89.02438	7.0
93.03443	0.2
95.01379	4.8
96.95998	0.2
96.99268	0.3
97.02950	1.0
98.82314	0.1
98.95584	0.2
99.00870	2.1
101.02435	9.5
109.02927	0.2
111.00854	0.6
112.01659	0.8
113.02438	10.4
114.02713	0.1
119.03494	2.3
125.02420	0.5
129.01892	0.3
131.03484	4.1
137.02455	0.2
139.00356	1.0
143.03502	0.8
149.04497	0.2
157.01392	0.5
159.02980	0.7
161.04546	5.8
179.05614	1.5
191.05612	0.4
215.14305	0.2
221.06636	5.7
222.07002	0.1
239.14453	0.2
263.07599	0.3
351.26929	0.2
371.23666	0.1
389.24826	1.9
390.25079	0.1
391.26318	0.7
392.26602	0.2
405.27905	1.2
407.29608	0.3
417.27737	0.2
419.29510	1.6
421.31110	3.1
422.31415	0.1
423.32440	1.0
435.29117	0.3
439.32111	0.4
441.33667	0.4
453.30035	0.8
467.31723	0.2
491.35355	0.3
519.34698	0.4
521.32513	0.2
699.40759	0.2
761.40863	0.3
893.28113	0.1
905.44824	1.1
923.46704	0.2
978.62506	0.1
1031.31885	0.2
1085.51550	100.0
1086.51941	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	1.1
83.01377	2.5
84.02170	0.2
85.02943	6.3
86.00089	0.7
87.00874	3.3
89.02437	7.7
93.03436	0.1
93.26905	0.2
95.01379	5.5
96.95999	0.3
96.99300	0.3
97.02943	0.9
98.28214	0.2
99.00874	2.0
101.02438	10.2
109.02969	0.2
111.00880	0.7
112.01673	0.7
113.02441	10.7
119.03497	2.7
125.02409	0.5
129.01955	0.3
131.03491	3.7
137.02463	0.3
139.00398	1.1
143.03494	1.1
144.15627	0.1
149.04506	0.2
157.01411	0.7
159.02956	0.8
161.04539	6.1
179.05562	1.3
203.14484	0.1
215.14349	0.2
221.06636	6.2
222.06969	0.2
233.82712	0.1
263.07706	0.3
305.96777	0.2
388.66241	0.1
389.24750	0.2
391.26447	0.2
394.63251	0.1
403.30072	0.3
405.27444	0.2
405.31937	0.3
421.31061	7.9
422.31451	0.6
423.32611	1.6
443.27957	0.1
462.41962	0.2
467.31613	0.4
491.35080	0.4
519.34778	0.4
521.32703	0.2
761.41748	0.2
905.44873	1.3
923.47058	0.3
1085.51599	100.0
1086.51880	13.2
1097.50586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00880	1.1
83.01382	2.3
85.02943	7.3
86.00073	0.3
87.00871	3.3
89.02436	8.0
93.03355	0.2
95.00805	0.3
95.01379	5.7
95.46264	0.2
96.95982	0.7
96.99307	0.6
97.02916	1.2
97.81367	0.2
99.00862	2.0
101.02433	10.6
109.02935	0.3
111.00865	0.8
112.01664	0.6
113.02440	11.4
119.03496	2.7
123.27059	0.2
123.35200	0.2
125.02410	0.6
129.01920	0.3
131.03487	4.2
137.02386	0.5
137.09656	0.3
139.00395	0.9
143.03476	1.0
157.01382	0.8
159.02966	0.9
160.55470	0.2
161.04536	6.1
173.48322	0.2
179.05579	1.6
181.95674	0.2
189.89894	0.2
221.06647	6.4
263.07574	0.3
304.82364	0.2
368.25046	0.2
390.25851	0.3
405.27869	0.7
421.31079	8.3
422.31201	0.6
423.32516	1.0
467.31763	0.7
491.35303	0.3
521.32806	0.4
651.84332	0.2
725.39301	0.3
761.40924	0.3
905.44995	1.1
923.45972	0.2
1085.51563	100.0
1086.51904	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	1087.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03437	0.7
83.01354	1.2
89.03954	1.3
91.01878	0.5
93.03442	1.7
95.01380	5.2
95.04969	0.7
97.02919	0.9
101.03932	0.8
103.05470	0.6
105.03435	1.4
107.05003	0.7
108.02143	1.1
109.02208	0.5
109.02953	5.7
111.00882	0.4
115.05499	0.9
117.03452	3.0
118.38050	0.5
119.01373	0.6
119.05058	2.4
121.02946	3.1
121.06552	0.4
122.03730	0.6
123.00882	9.0
123.04520	4.8
124.01661	2.5
125.02446	10.8
129.03436	1.0
130.04222	0.9
131.01387	0.5
131.04996	2.3
132.02144	1.6
133.02943	4.0
135.00858	0.8
135.04495	2.3
136.01614	0.5
137.02451	4.4
139.03978	1.3
141.03439	1.0
143.01350	0.7
143.04973	1.2
145.02933	6.9
145.06595	0.4
146.03717	0.6
147.00816	1.6
147.04504	5.3
148.01578	0.4
149.02428	4.2
149.06093	0.6
150.03163	0.7
151.00352	0.5
151.04036	3.1
155.05011	0.6
157.02933	2.6
158.03749	2.1
159.00900	0.7
159.04509	7.7
160.01642	2.2
160.05238	0.6
161.02432	14.0
161.06050	1.5
162.03146	1.2
163.00375	3.8
163.04010	5.6
164.01193	2.6
165.01929	3.0
165.05653	0.4
167.03510	0.5
167.05013	0.5
169.01498	0.5
169.02893	0.7
169.06665	0.5
171.00801	0.8
171.04477	0.6
172.01543	0.5
173.02429	7.7
173.06036	0.6
174.03201	1.8
175.00346	1.1
175.03986	11.1
176.01164	2.4
177.01915	10.8
177.05539	1.4
178.02617	0.8
179.03453	1.5
181.04979	0.5
182.03593	0.4
183.04469	1.2
185.02405	6.6
185.05975	1.2
186.03090	1.0
187.00351	1.4
187.03983	3.9
188.01126	0.9
188.04587	0.4
189.01918	8.2
189.05544	0.6
190.02675	3.0
190.99796	1.2
191.03488	7.9
192.00603	1.6
192.04170	0.4
193.01411	3.0
193.05070	0.4
193.06631	0.5
195.04489	1.1
196.05287	0.7
197.02406	0.5
197.06021	0.8
197.09981	0.4
198.03122	0.7
199.03960	1.7
200.01096	0.6
201.01926	9.7
201.05588	1.4
202.02744	2.5
203.00069	1.8
203.03484	20.4
203.07173	1.0
204.00658	0.5
204.03896	0.7
205.01408	4.9
205.04936	1.8
205.06584	0.5
206.02078	0.7
207.02869	0.9
209.00931	1.0
209.06114	0.9
211.04021	2.2
211.07567	0.5
212.01228	0.5
212.04755	1.0
213.01907	4.2
213.05515	1.5
214.02693	2.6
214.99910	2.9
215.03424	2.8
215.07182	0.8
216.00624	2.2
216.04239	0.9
217.01399	6.6
217.04993	1.3
218.02089	1.2
218.99391	2.1
219.02937	3.9
221.00900	0.6
221.04245	1.9
221.06290	0.7
222.01607	0.7
223.03981	1.1
224.04822	0.6
225.05507	1.6
226.02713	1.0
226.99849	0.7
227.03476	3.4
227.06982	0.9
228.00642	0.9
228.04202	1.0
229.01402	19.7
229.04765	2.5
230.02016	2.5
231.02959	22.8
232.00011	0.6
232.03351	1.0
233.00902	2.3
235.07631	0.7
237.05513	1.6
238.02534	0.5
238.99866	0.4
239.03528	2.5
239.07103	0.6
240.00560	0.4
240.04221	1.2
241.01410	1.6
241.04980	2.4
242.02090	2.2
242.99362	2.4
243.02983	3.5
243.06630	0.6
244.00055	1.2
244.03607	0.6
245.00891	11.9
245.04607	1.1
245.08083	0.6
246.01617	2.0
246.98817	3.5
247.02412	6.4
247.06094	0.7
248.02916	0.6
249.03987	40.9
250.04381	1.1
251.03442	1.5
251.07091	1.0
252.04065	0.7
253.05087	2.0
254.02051	0.5
255.02960	2.6
255.06526	1.3
256.00034	0.5
256.03717	1.5
257.00903	15.2
257.04523	2.9
258.01633	6.8
259.02435	3.6
259.05975	0.5
259.99698	0.8
261.00372	6.5
261.05624	0.8
263.03561	0.7
263.06818	0.4
264.04355	1.1
265.05045	2.7
266.02176	0.6
266.05756	0.6
267.02997	2.1
267.06558	1.3
268.03659	1.1
269.00974	1.2
269.04498	2.4
270.05164	0.5
270.98871	2.9
271.02469	1.9
271.05826	0.6
271.99594	0.5
272.03177	0.7
273.00412	9.4
273.03653	0.7
274.01108	3.9
275.01950	78.6
276.02179	3.4
277.05017	1.8
278.05704	1.2
279.03012	1.3
279.06635	1.9
280.03729	1.2
281.01495	0.5
281.04538	2.7
282.01648	0.9
283.02472	1.8
283.06097	1.5
283.99591	3.6
284.02838	0.7
285.00400	2.2
285.04062	1.8
285.07492	0.4
286.98227	1.6
287.01974	2.8
287.05136	0.7
287.99121	0.5
288.99835	1.7
289.04596	0.7
289.07263	1.4
290.05496	0.5
291.01617	0.7
291.06509	1.5
292.03610	0.6
292.07129	0.5
293.04523	3.1
293.07913	0.6
294.05081	0.9
295.02493	1.7
295.06110	1.6
296.03110	0.9
297.00705	0.9
297.04074	1.8
297.07397	0.5
298.01089	0.5
299.01926	1.5
299.05399	0.7
299.99185	4.3
300.02487	0.6
300.99872	100.0
302.00195	3.8
303.02994	0.6
303.06235	0.7
304.03787	0.5
304.07114	0.5
305.04465	2.2
305.07944	0.4
306.05377	1.1
307.02466	1.1
307.06125	2.8
308.03314	0.8
309.03998	3.5
309.07336	0.6
310.04755	0.7
311.01984	1.9
311.05692	1.9
312.02820	0.7
312.99893	3.7
313.03635	1.2
314.00690	0.7
317.04425	1.1
318.05301	0.9
319.01172	1.1
319.06049	1.6
320.03302	0.5
321.04001	1.7
321.07321	0.7
322.04803	1.3
323.05423	2.6
324.02753	0.5
325.03482	1.6
325.07031	0.8
327.01501	0.6
327.05194	1.0
329.02762	1.8
331.02490	0.5
331.06073	1.6
332.03119	0.8
333.04120	2.1
334.04889	0.8
335.05557	2.6
336.06339	0.8
337.03537	2.2
337.07108	0.8
338.04288	1.2
339.05139	0.9
340.99432	2.5
341.03067	0.7
345.04044	1.5
345.07825	0.5
346.04825	0.8
347.01825	0.7
347.05600	1.5
348.02710	1.0
348.06415	0.6
349.03452	1.6
349.07098	0.8
350.04276	0.8
351.01413	0.6
351.05127	3.4
352.05994	0.9
353.03015	1.3
353.06754	1.4
359.05444	1.3
361.03400	2.6
362.04257	1.3
363.04971	3.0
364.02057	1.1
364.05966	1.1
365.02921	1.0
365.06857	1.2
367.04477	0.9
371.04593	1.2
375.05002	2.5
377.02670	1.7
377.06873	1.1
378.03561	0.7
379.03967	3.1
380.05368	1.1
381.06174	1.0
387.05060	1.6
388.05844	0.5
389.05438	1.5
390.03912	0.6
391.04654	1.4
392.01251	0.7
392.05600	0.5
393.02057	2.3
393.06760	0.7
394.03137	0.9
395.03958	1.1
401.07016	0.5
403.04218	1.8
405.06339	0.9
406.03244	0.7
407.03952	16.4
408.04620	3.9
409.05478	0.6
411.05469	1.2
412.06003	0.6
419.03931	0.7
421.04150	9.3
429.01987	0.5
431.03958	1.9
437.09113	0.5
445.06006	0.6
449.05109	1.2
463.07028	0.6
465.08313	0.5
473.05240	1.1
474.05820	0.6
481.07971	0.5
491.06082	2.7
509.07166	4.5
515.09790	1.3
519.09802	0.5
527.08502	2.8
529.08295	1.2
531.09149	0.9
533.11072	0.6
539.09845	0.9
541.07947	1.6
545.08032	0.4
547.09119	0.5
557.10724	1.4
559.08746	46.5
560.09229	2.9
563.09839	2.0
565.08099	1.3
571.08478	1.6
573.07202	0.5
581.09979	0.5
582.08606	0.7
583.08765	3.7
584.09198	0.5
585.07037	0.5
589.13544	0.8
597.10132	0.7
599.12183	1.5
601.10107	2.4
603.07800	10.0
604.08191	1.2
607.07947	2.0
617.13135	1.6
619.10980	1.2
625.09265	4.0
626.09784	0.6
635.14435	1.0
643.10919	6.9
644.11096	0.9
645.09729	0.8
653.15106	0.5
661.11859	8.0
662.12494	0.8
679.13110	7.2
680.13605	0.7
681.07202	4.0
687.10010	0.6
705.10638	2.0
709.07031	0.8
723.12024	3.3
749.09851	4.4
750.11353	0.6
763.05267	0.4
767.10333	0.9
785.09656	0.9
793.12091	0.4
811.07910	3.5
812.09528	0.6
829.08649	3.5
873.08380	1.3
919.13477	0.9
937.14917	0.7
955.15289	0.4
963.12335	3.2
964.13232	0.8
981.13422	7.4
982.13177	0.9
1007.12103	0.7
1025.12659	12.4
1026.13757	1.6
1043.13062	0.4
1051.10742	3.8
1052.10840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
81.25443	0.1
96.96019	0.3
107.01376	0.3
108.02215	0.2
109.02983	0.2
121.02946	0.3
148.01669	0.2
151.00375	1.3
163.00394	0.4
172.01587	0.2
174.20407	0.1
176.20186	0.1
178.99892	0.5
200.01097	0.3
214.99930	0.2
216.00717	0.3
216.04277	0.2
226.99678	0.2
227.03609	0.3
242.53386	0.2
242.99321	1.1
243.02995	1.1
244.00117	0.5
254.02197	0.2
255.02975	3.0
256.03403	0.2
270.98868	12.4
271.02463	6.1
271.99484	0.5
272.03000	0.4
298.01083	0.2
298.98312	16.3
299.99149	71.9
300.02670	12.1
300.99570	3.4
301.03503	4.9
302.03336	0.1
312.99857	1.1
314.00662	13.2
315.01428	70.5
316.01773	3.0
327.01385	0.2
328.99402	0.3
445.04160	0.3
458.67810	0.2
462.04477	0.3
477.06696	100.0
478.07022	5.5
609.14551	20.4
610.14832	1.9
611.15063	0.3
712.78680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
75.80048	0.1
75.92942	0.1
80.15440	0.1
81.03455	0.2
83.01382	2.8
84.02168	0.1
85.02946	6.5
86.00110	0.6
86.03284	0.1
87.00871	3.8
89.02440	7.3
90.02776	0.1
93.03452	0.2
95.01380	6.1
96.01730	0.1
96.96003	0.1
96.99309	0.3
97.02955	1.1
97.06586	0.4
98.00090	0.1
98.19918	0.2
99.00877	2.1
99.04533	0.1
101.02436	11.4
102.02764	0.1
108.56595	0.1
109.02961	0.3
111.00890	0.6
112.01656	0.8
113.02443	11.7
114.02770	0.2
119.03489	2.5
125.02435	0.6
129.01927	0.4
131.03494	4.4
132.03804	0.1
137.02396	0.4
137.09715	0.1
139.00371	1.2
139.03979	0.1
141.01877	0.1
143.03482	1.1
149.04541	0.2
151.03996	0.1
151.11299	0.3
157.01421	0.6
159.02985	0.8
161.04538	6.4
162.04883	0.2
170.76114	0.1
179.05588	1.8
217.15955	0.2
221.06648	7.3
222.06996	0.2
224.40379	0.1
249.06017	0.1
255.17542	0.2
263.07666	0.4
300.99930	0.1
303.02084	0.1
379.26190	0.1
387.26813	0.5
389.28461	1.3
391.26321	0.3
393.27969	0.1
403.26306	0.1
407.29419	1.1
421.31525	0.5
422.31421	0.1
423.32651	8.5
424.32999	0.9
425.34213	1.2
437.30362	0.2
439.28281	0.1
443.35260	0.2
469.33167	0.5
493.36789	0.4
500.58710	0.1
521.36707	0.4
523.34412	0.2
701.42780	0.2
727.40753	0.2
745.42609	0.1
763.42590	0.2
907.47113	1.2
925.47528	0.2
1087.53101	100.0
1088.53491	14.1
1121.52295	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.2
83.01379	2.7
83.53496	0.1
84.02147	0.2
85.02945	6.5
86.00095	0.5
87.00871	3.2
89.02438	7.9
93.03449	0.2
94.90916	0.1
95.01381	5.4
96.96047	0.1
96.99291	0.3
96.99892	0.1
97.02939	1.1
97.06587	0.2
99.00879	2.0
101.02435	10.8
109.02981	0.5
111.00856	0.5
112.01655	0.8
113.02444	10.8
114.02774	0.2
115.04038	0.1
119.03501	2.6
125.02436	0.5
129.01910	0.3
131.03494	4.1
137.02426	0.4
137.09689	0.1
139.00378	0.9
141.01805	0.1
143.03500	1.0
149.04521	0.2
151.11272	0.4
157.01414	0.5
159.02951	0.8
161.04543	6.4
169.39742	0.1
179.05582	1.9
199.35883	0.1
201.12755	0.2
221.06636	6.6
222.06895	0.1
241.15952	0.2
263.07736	0.3
271.20590	0.2
301.05612	0.1
387.26889	0.3
389.28534	0.8
391.26175	0.3
393.63141	0.1
407.29501	2.0
408.29941	0.2
409.31216	0.1
421.31201	0.4
423.32651	7.5
424.32846	0.4
425.34122	0.9
443.35165	0.2
469.33093	0.4
493.36722	0.4
521.36517	0.3
523.34412	0.2
727.40350	0.2
907.46930	1.2
925.48926	0.3
1033.63171	0.1
1087.53137	100.0
1088.53516	15.6
1127.76782	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.1
83.01384	2.9
84.02148	0.2
85.02946	7.9
86.00096	0.4
86.03298	0.1
87.00871	2.5
89.02438	7.3
90.02720	0.1
93.03465	0.3
95.01384	4.4
95.01997	0.2
96.96004	0.2
96.99301	0.3
97.02953	0.9
97.06638	0.1
99.00870	1.9
101.02439	9.1
102.02781	0.1
109.02955	0.4
111.00889	0.5
112.01665	0.9
113.02442	10.3
115.00336	0.1
115.03976	0.1
119.03484	1.3
121.02986	0.1
125.02441	0.4
129.01984	0.1
131.03499	7.7
132.03937	0.1
137.02477	0.5
137.09720	0.1
139.00368	1.0
143.03502	0.5
149.04547	1.4
151.11292	0.1
157.01402	0.7
161.04518	0.9
179.05583	0.2
191.05597	6.6
192.05910	0.2
219.82559	0.1
221.06587	0.5
233.06615	0.6
391.30063	0.2
407.33600	0.7
409.30804	0.1
421.31015	0.2
423.32660	1.2
425.34280	0.9
435.32520	0.3
437.34079	0.3
439.32162	0.2
453.33713	3.9
454.34012	0.3
455.35269	0.8
499.34271	0.2
523.37994	0.4
551.37329	0.3
553.35248	0.3
583.78503	0.1
706.97852	0.1
793.43176	0.2
907.47510	1.1
908.46814	0.2
925.48999	0.1
955.49323	0.3
966.90173	0.1
1038.88953	0.1
1087.03003	2.5
1087.53125	100.0
1088.53467	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	1087.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	0.1
83.01376	2.8
83.04987	0.1
84.02149	0.1
85.02942	6.9
86.00089	0.5
86.03284	0.1
87.00870	3.5
88.01229	0.1
89.02435	7.3
90.02757	0.1
93.03469	0.2
95.01379	4.9
95.05069	0.1
96.96003	0.1
96.99298	0.3
97.02939	0.9
97.06600	0.1
99.00870	2.1
101.02434	10.8
102.02766	0.1
103.04031	0.1
109.02924	0.3
111.00866	0.5
112.01660	0.9
113.02439	10.5
114.02795	0.2
115.03996	0.1
119.03490	2.3
121.02952	0.1
123.00886	0.1
123.04533	0.1
125.02440	0.5
129.01950	0.4
131.03491	3.9
132.03786	0.1
137.02454	0.3
137.09712	0.5
139.00354	1.0
141.01889	0.1
143.03488	1.0
149.04539	0.2
157.01398	0.6
159.02966	0.7
161.04541	5.9
162.04921	0.1
179.05600	1.8
179.60526	0.1
189.12849	0.2
199.57454	0.1
201.12794	0.2
205.03506	0.1
221.06638	6.8
222.06966	0.3
263.07590	0.4
274.96988	0.1
275.07684	0.1
301.05356	0.1
314.95303	0.1
370.80444	0.1
371.23691	0.1
373.25302	0.4
387.23178	0.1
389.28482	1.6
390.29010	0.1
391.29861	0.1
405.24081	0.1
405.26132	0.1
405.31573	1.1
406.32202	0.1
407.29440	1.0
408.29877	0.1
409.31024	1.0
410.31314	0.1
421.30957	0.2
423.32645	4.6
424.32974	0.2
425.34235	0.7
437.30402	0.2
443.35229	0.2
455.31482	0.1
457.32980	0.1
469.33359	0.3
493.36807	0.4
499.75818	0.1
521.36523	0.4
523.34247	0.2
537.35645	0.1
701.42737	0.2
727.40228	0.1
745.41876	0.1
763.41736	0.1
907.47028	1.5
908.46844	0.2
925.48846	0.3
1087.53064	100.0
1088.53442	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
79.58573	0.1
81.03444	0.1
83.01385	2.8
85.02946	6.8
86.00088	0.6
86.03303	0.1
87.00871	3.7
89.02438	7.3
90.02766	0.1
95.01383	6.2
96.96000	0.1
96.99306	0.3
97.02937	1.0
98.20689	0.3
99.00874	2.3
101.02438	11.7
105.93154	0.1
109.02953	0.3
111.00870	0.7
111.08135	0.5
112.01679	0.7
113.02441	11.0
114.02784	0.2
119.03496	2.5
120.69577	0.1
125.02428	0.5
129.01903	0.4
131.03497	4.1
136.36246	0.1
137.02449	0.4
139.00377	1.1
142.02657	0.1
142.86462	0.1
143.03503	1.0
149.04515	0.2
152.99390	0.1
157.01410	0.6
159.03000	0.9
161.04546	6.4
179.05617	1.9
221.06647	6.5
263.07663	0.3
297.44736	0.1
311.23740	0.2
361.25314	0.2
379.26114	0.3
391.25797	0.2
393.28165	0.2
395.29532	0.7
421.30969	0.2
423.32651	8.1
424.33096	0.7
425.34247	0.5
443.35583	0.2
469.33072	0.4
493.37103	0.5
521.36224	0.4
523.34528	0.2
658.48621	0.1
681.93018	0.1
751.19427	0.2
763.42682	0.2
907.47168	1.2
925.48535	0.3
1087.53149	100.0
1088.53479	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.532
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.4
83.01380	2.7
83.84190	0.2
85.02944	7.0
86.00056	0.4
87.00865	2.4
89.01920	0.4
89.02442	6.9
93.03462	0.3
95.01383	4.1
96.96026	0.4
96.99303	0.3
97.02934	1.0
97.85001	0.2
99.00873	1.9
101.02434	8.4
103.03971	0.3
108.48295	0.2
109.02923	0.6
111.00864	0.6
112.01652	0.8
113.02445	9.5
115.24378	0.2
119.03474	1.1
119.63312	0.2
125.02434	0.2
129.22939	0.2
131.03494	6.2
137.02397	0.5
139.00380	1.1
143.03496	0.7
145.05052	0.6
149.04568	1.3
151.11232	0.5
157.01387	0.6
161.04509	0.8
163.06061	0.5
191.05591	4.3
205.07146	2.2
233.06699	0.4
389.28564	0.3
405.31921	1.2
421.30963	0.9
423.32751	0.8
439.32114	1.9
441.33511	0.6
453.33737	4.1
454.34018	0.3
455.35339	0.3
467.31592	0.2
499.33981	0.3
523.37653	0.3
551.37579	0.5
795.44855	0.3
907.46991	1.0
941.48303	0.4
943.48529	0.8
1087.53162	100.0
1088.53552	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01360	2.0
85.02949	6.6
87.00879	4.0
87.04507	1.1
89.02435	5.6
95.01379	4.0
96.99290	0.7
99.00876	0.9
101.02445	7.3
103.04031	1.2
112.01678	1.2
113.02438	8.6
115.03978	2.3
119.03503	1.0
120.41101	0.5
131.03487	3.5
139.00333	0.8
143.03531	3.1
145.04965	0.6
161.04547	1.1
163.06134	0.8
191.06509	0.6
205.07190	3.4
221.06607	0.9
405.28204	0.6
407.29605	0.7
421.31030	1.8
423.32925	1.2
439.32022	5.6
441.33759	1.7
452.62817	0.7
907.46692	2.7
1087.53174	100.0
1088.53723	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	1089.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49785	0.1
79.01906	0.2
79.95720	0.1
81.03481	0.1
83.01388	1.2
85.02950	0.6
87.00859	0.1
89.02465	0.2
89.03975	0.2
91.01888	0.6
93.03448	2.0
95.01376	0.7
96.96013	0.3
97.02946	0.4
99.00920	0.1
99.04516	0.1
101.02464	0.5
107.01386	3.4
108.02195	0.2
109.02940	1.1
113.02446	0.4
116.92844	0.1
117.03461	9.8
118.03784	0.2
119.01369	0.4
119.05019	3.5
120.99648	0.1
123.00891	0.3
123.04527	0.2
124.01658	0.1
125.02428	1.4
127.04001	0.2
130.04231	0.3
131.05020	0.5
132.02162	0.2
133.02979	0.2
133.06601	0.1
135.00856	1.1
135.04520	0.1
137.02443	0.6
141.07104	0.4
143.03458	0.2
143.05040	1.5
145.02943	22.0
145.06612	0.3
146.03273	0.7
147.04532	0.2
148.01770	0.1
150.03105	0.1
151.00359	5.7
152.00722	0.1
153.01962	0.3
154.04187	0.4
155.05017	0.5
156.05794	0.4
157.02966	0.2
157.06570	1.1
158.03716	0.3
159.04503	1.8
161.02434	0.3
161.04514	0.2
161.06004	0.2
163.00368	2.6
163.03996	4.9
163.06178	0.3
164.01161	0.6
164.04356	0.1
165.01889	0.7
167.05006	0.8
168.05830	0.2
169.01393	0.8
169.02809	0.2
169.06578	1.0
171.04495	1.1
173.02423	0.3
173.06047	0.4
174.03168	0.1
175.04019	0.2
178.99886	0.1
182.03706	0.3
183.04517	1.0
184.05382	0.4
185.02426	0.2
185.06062	3.1
187.03978	4.0
189.05542	1.0
191.03477	0.1
192.00615	0.2
195.04480	0.8
196.00067	0.1
196.05385	0.4
197.06035	0.9
198.03200	0.3
199.03975	1.1
199.07654	0.1
200.04770	0.1
201.05540	1.0
211.03979	2.4
212.04620	0.4
213.05539	2.2
214.02731	0.4
214.05896	0.1
215.03419	0.4
217.05017	0.1
223.03978	0.4
223.08128	0.1
224.04691	0.1
226.02696	0.1
227.03477	6.8
228.03882	0.3
229.05035	12.0
230.05397	0.6
239.03468	1.5
240.04230	1.0
241.05003	1.8
243.02965	0.6
255.02969	8.4
256.03662	1.6
257.04520	7.5
257.07367	0.2
258.04828	0.3
267.02975	1.0
268.03687	0.2
271.06097	0.2
283.02469	1.3
284.00684	0.1
284.03238	5.1
285.04016	100.0
286.04349	4.5
287.07904	0.1
307.08133	1.0
309.09848	0.3
361.90765	0.1
371.15021	0.1
433.11288	1.1
451.13336	0.2
453.13971	0.1
477.16113	0.8
497.16953	0.3
579.19366	0.2
597.20190	0.5
599.19684	0.1
605.18219	0.1
615.20752	0.3
623.19342	0.2
641.20654	0.2
657.21448	0.4
743.24060	1.5
761.24951	4.6
762.24921	0.5
785.25317	0.2
803.26074	19.7
804.26337	2.2
925.25702	0.4
943.27490	2.0
944.27606	0.3
1089.30762	14.2
1090.31226	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	1089.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	0.2
83.01381	2.3
84.02158	0.2
85.02943	7.3
86.00093	0.6
87.00868	3.5
89.02441	5.7
93.03438	0.2
95.01382	4.1
96.96015	0.6
96.99311	0.3
97.02926	0.9
98.20646	0.3
99.00867	2.3
101.02438	9.4
109.02925	0.3
111.00852	0.5
112.01675	0.8
113.02444	11.2
114.02782	0.2
119.03484	1.6
119.04909	0.1
122.25786	0.1
123.04525	0.2
125.02433	0.5
129.01918	0.3
131.03499	4.5
133.02892	0.1
137.02429	0.4
139.00389	0.9
143.03485	0.7
145.02936	0.1
149.02339	0.1
149.04483	0.3
150.03239	0.2
151.00385	0.1
151.03955	0.2
157.01375	0.7
159.02951	0.9
161.04543	5.8
165.01877	0.2
165.05530	0.2
177.01849	0.2
179.05597	1.6
181.04984	0.1
195.06601	0.3
205.03543	0.1
209.12318	0.1
216.70276	0.1
221.06642	5.9
225.61423	0.1
229.04897	0.1
229.32855	0.2
255.03043	0.2
263.07593	0.3
271.02225	0.2
285.03958	0.6
289.07251	0.1
293.18829	0.1
300.02618	0.2
300.99814	0.2
301.03302	0.1
329.02661	0.2
369.10464	0.1
391.26053	0.2
393.28305	0.1
405.27795	0.5
407.29483	2.2
409.31100	3.3
410.31641	0.3
421.27319	0.4
421.47845	0.1
423.29123	0.2
437.30536	3.3
438.31271	0.3
439.32108	1.7
440.32266	0.1
455.31586	2.8
456.32245	0.2
457.33066	0.4
502.54898	0.1
525.35516	0.3
553.35455	0.4
555.33014	0.3
891.36853	0.4
909.44733	0.7
1089.51160	100.0
1090.51477	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	1089.548
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	0.2
83.01382	2.7
84.01720	0.1
84.02179	0.1
85.02946	8.3
86.00092	0.4
87.00328	0.1
87.00870	2.6
89.02438	7.2
89.73677	0.1
90.02805	0.1
93.03471	0.2
95.01383	4.5
96.96004	0.2
96.99306	0.3
97.02934	0.9
98.00056	0.1
98.19818	0.2
99.00872	2.5
99.01527	0.1
101.02436	9.0
102.02776	0.1
109.02960	0.3
111.00878	0.6
112.01646	0.7
113.02441	11.0
114.02745	0.1
115.04012	0.1
119.03489	1.4
119.95654	0.1
123.00898	0.1
123.04576	0.1
125.02451	0.3
129.01918	0.2
131.03494	7.2
132.03914	0.1
137.02443	0.3
137.09714	0.2
138.99336	0.1
139.00360	0.9
139.04001	0.1
143.03468	0.7
147.53107	0.1
149.02515	0.1
149.04543	1.2
151.11272	0.1
157.01416	0.7
159.02986	0.2
161.04535	2.6
165.01842	0.1
179.05566	0.6
191.05594	4.5
192.05865	0.1
196.57736	0.1
221.06636	2.4
230.14226	0.1
233.06639	0.4
263.07663	0.2
301.05515	0.1
374.59634	0.1
391.30063	0.5
405.31534	0.1
407.28482	0.1
407.33243	1.5
408.33417	0.1
423.32526	0.2
425.34146	0.3
437.34268	1.5
438.34763	0.1
455.35272	4.2
456.35468	0.2
457.36703	0.6
483.35437	0.1
501.35870	0.3
525.39453	0.5
553.39093	0.4
555.37122	0.2
569.38641	0.1
733.46246	0.1
759.43762	0.2
777.44110	0.2
909.48090	0.9
927.50555	0.2
939.50323	0.1
957.50336	0.1
1071.48804	0.1
1075.53149	0.2
1076.53711	0.1
1089.54712	100.0
1090.55042	13.6
1103.52576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
75.39200	0.1
81.03444	0.1
83.01381	2.3
84.01714	0.1
84.02154	0.1
85.02943	7.9
86.00073	0.5
86.03289	0.2
87.00870	3.5
89.02438	6.2
90.02747	0.1
93.03455	0.1
95.01379	4.5
96.95952	0.1
96.99319	0.3
97.02944	0.8
98.19745	0.1
99.00873	2.1
100.01247	0.1
101.02436	9.0
102.02785	0.1
103.04005	0.1
109.02941	0.2
111.00880	0.6
111.04553	0.1
112.01656	0.7
113.02441	10.9
114.02784	0.3
119.03493	1.8
121.05136	0.2
125.02464	0.4
127.04141	0.1
129.01962	0.3
131.03499	5.1
132.03822	0.1
135.06548	0.1
137.02428	0.2
137.09685	0.1
139.00368	0.9
139.03952	0.1
141.01897	0.1
143.03479	0.7
149.04523	0.4
150.03157	0.1
151.11249	0.2
157.01421	0.7
159.02994	0.6
161.04541	5.1
162.04872	0.1
179.05600	1.4
191.05588	0.6
192.05925	0.1
193.06125	0.1
205.03561	0.1
207.05080	0.1
221.06633	5.7
222.07068	0.1
232.30002	0.1
235.37773	0.1
263.07678	0.3
287.16821	0.1
301.05701	0.1
319.06732	0.1
356.99460	0.1
369.10220	0.1
389.28259	0.1
391.30103	0.6
405.31595	0.1
407.28467	0.1
407.33218	1.2
408.33685	0.1
421.31058	0.1
423.32846	0.4
424.33026	0.3
425.34058	0.5
426.34512	0.2
427.35071	0.1
437.34247	1.4
438.34891	0.1
455.35236	3.6
456.35458	0.2
457.37073	0.4
501.36035	0.2
525.39716	0.4
553.39056	0.4
555.36584	0.2
732.29370	0.1
759.42883	0.1
777.44421	0.1
795.45160	0.1
886.47607	0.1
909.48547	0.6
927.50513	0.3
1058.52625	0.1
1059.53162	0.2
1088.53882	1.4
1089.54626	100.0
1090.54956	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	1101.511
Annotation	Unknow
Peak:m/z	Relative Intensity
76.23742	0.1
79.57368	0.1
81.03452	0.2
83.01380	2.7
84.02167	0.1
85.02943	6.5
86.00088	0.6
87.00332	0.1
87.00868	3.5
89.02437	6.7
93.03450	0.3
95.01379	5.6
96.95993	0.2
96.99316	0.3
97.02947	1.5
97.06559	0.1
98.00080	0.1
99.00871	2.3
99.04507	0.1
101.02433	10.6
102.02763	0.1
108.02216	0.1
109.02948	0.3
111.00868	0.8
111.08085	0.1
112.01662	0.6
113.02440	10.9
114.02750	0.2
119.03493	2.4
123.04469	0.1
123.90318	0.1
125.02435	0.4
126.20127	0.1
129.01945	0.4
131.03491	4.1
137.02419	0.4
137.06097	0.1
139.00375	1.2
141.01949	0.1
143.03477	1.0
149.02454	0.1
149.04492	0.2
149.09763	0.1
151.03995	0.1
157.01408	0.5
159.02965	0.7
161.04543	5.7
162.04865	0.1
165.09155	0.2
178.33635	0.1
179.03442	0.1
179.03941	0.1
179.05597	1.8
209.11899	0.1
221.06635	7.3
221.15324	0.2
222.07059	0.2
249.06133	0.2
263.07675	0.3
265.14313	0.6
271.20700	0.1
285.18500	0.1
301.05576	0.1
325.21738	0.1
365.24957	0.1
391.30545	0.1
403.26129	0.1
407.25821	0.8
409.27411	0.1
419.29538	0.1
421.27164	0.3
421.31332	0.3
423.28677	0.1
427.15536	0.4
437.30551	9.3
438.30887	0.8
439.32135	1.8
457.33310	0.1
483.31039	0.4
507.34573	0.5
535.34167	0.3
537.32251	0.2
715.39661	0.1
741.38995	0.2
777.40485	0.2
921.44904	1.1
922.44501	0.1
939.45874	0.2
944.90356	0.1
1039.52441	0.1
1101.51074	100.0
1102.51331	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	1101.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
76.06969	0.1
81.03436	0.2
83.01380	2.3
85.02944	6.3
86.00072	0.5
87.00338	0.1
87.00872	3.7
89.02440	6.8
93.03430	0.2
95.01379	5.4
95.58608	0.1
96.95992	0.1
96.99305	0.4
97.02926	1.0
99.00872	2.3
99.04509	0.2
101.02436	10.0
102.02798	0.1
109.02951	0.5
111.00871	0.7
111.08141	0.1
112.01638	0.8
113.02442	10.9
114.02712	0.1
118.95854	0.1
119.03498	2.2
123.04487	0.2
125.02430	0.4
129.01926	0.3
131.03494	3.9
137.02446	0.3
139.00371	1.1
143.03481	1.3
149.04576	0.2
151.88586	0.1
157.01404	0.7
159.02980	0.8
161.04544	6.3
167.10663	0.2
179.05611	1.6
193.79869	0.1
205.03546	0.1
209.11815	0.2
215.60303	0.1
221.06633	6.9
221.15395	0.2
222.06937	0.2
249.06140	0.2
255.17332	0.1
263.07718	0.3
265.14462	0.9
269.19116	0.1
271.20667	0.2
301.05829	0.2
323.10138	0.1
407.25815	0.8
419.29834	0.2
421.26755	0.2
427.15179	0.5
437.30557	9.7
438.30762	0.8
439.32108	1.7
440.32394	0.2
451.28403	0.1
483.31277	0.5
507.34778	0.4
535.34009	0.3
537.32166	0.3
715.40393	0.2
741.39349	0.2
759.39777	0.1
870.40997	0.1
921.44580	0.9
939.46210	0.3
1101.51111	100.0
1102.51282	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	1101.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.2
83.01379	3.0
85.02943	6.9
86.00095	0.6
87.00323	0.2
87.00867	3.8
89.02438	7.0
93.03458	0.2
95.01382	4.8
96.96008	0.2
96.99316	0.3
97.02940	1.0
99.00874	2.3
101.02436	11.3
102.02744	0.1
103.04036	0.1
109.02941	0.4
111.00898	0.7
112.01652	0.6
113.02444	11.2
114.02779	0.1
114.82076	0.1
119.03491	2.4
121.03007	0.1
125.02425	0.5
129.01932	0.3
131.03491	3.7
137.02425	0.4
139.00389	1.1
139.03963	0.1
143.03496	0.9
149.02446	0.1
149.04546	0.3
155.03516	0.1
157.01382	0.6
159.03009	0.9
161.04536	6.5
179.05591	1.3
196.26761	0.1
201.07835	0.1
219.13901	0.2
221.06641	6.6
222.07034	0.2
230.35791	0.1
239.14265	0.1
257.06427	0.1
263.07608	0.4
389.24429	0.1
391.26498	0.2
403.25949	0.1
403.30560	0.1
405.27847	1.7
419.29541	2.7
420.29724	0.2
421.31079	15.3
422.31430	1.2
437.30493	0.4
438.27670	0.4
439.32220	1.0
507.34656	0.4
535.34155	0.7
537.32471	0.2
679.38586	0.1
697.39032	0.1
741.38019	0.2
777.41119	0.1
921.45020	1.0
922.45526	0.1
939.45984	0.2
1083.49170	0.5
1084.50378	0.2
1101.51135	100.0
1102.51331	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	1101.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.6
85.02942	6.4
86.00060	0.5
87.00874	3.6
89.02439	6.4
95.00808	0.4
95.01383	4.8
96.96006	0.4
96.99276	0.3
97.02937	0.8
99.00874	2.2
101.02438	9.9
111.00848	0.6
112.01651	0.7
113.02442	11.2
119.03500	2.1
123.04524	0.2
125.02419	0.7
129.02016	0.2
131.03484	4.0
137.02431	0.4
139.00356	1.0
143.03467	0.9
149.04472	0.3
157.01384	0.6
159.02945	0.8
161.04556	5.6
179.05602	1.7
189.12856	0.8
217.12296	1.0
221.04527	0.4
221.06644	6.7
263.07584	0.4
389.24875	0.4
393.27832	0.5
407.29651	0.3
409.31219	0.5
419.29465	1.2
421.30991	0.6
437.30524	8.3
438.30832	0.6
439.32211	1.4
483.30859	0.4
507.34863	0.4
535.34137	0.4
739.09100	0.2
777.40063	0.2
828.62451	0.2
912.17389	0.2
921.44690	1.0
1101.51135	100.0
1102.51318	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	1101.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
78.08823	0.1
81.03432	0.3
83.01375	2.5
85.02943	6.1
85.03458	0.3
86.00079	0.6
87.00871	3.4
89.02438	6.7
93.03430	0.2
95.01380	4.9
96.99301	0.3
97.02963	1.0
97.06578	0.2
98.20667	0.3
99.00866	1.8
101.02432	10.3
109.02940	0.4
111.00870	0.4
112.01649	0.7
113.02437	10.6
116.63799	0.1
119.03489	2.7
121.02884	0.1
125.02393	0.5
129.01958	0.4
131.02525	0.2
131.03490	3.8
132.87201	0.1
137.02400	0.4
138.99361	0.2
139.00342	1.0
143.03487	0.8
144.98491	0.1
149.04488	0.1
157.01402	0.6
159.02980	0.6
161.04543	5.8
165.52792	0.2
179.05595	1.4
221.06631	6.5
222.06981	0.2
231.17448	0.3
263.07611	0.5
403.30048	1.2
405.27954	0.4
417.27869	0.3
419.33008	0.2
421.31024	1.4
437.34180	7.3
438.34659	0.7
439.35632	0.8
457.37213	0.2
483.34842	0.5
507.38501	0.4
535.37793	0.3
537.35602	0.3
741.41907	0.2
777.43243	0.3
921.48102	1.1
939.48926	0.5
1101.54712	100.0
1102.54932	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	1103.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
80.23013	0.1
81.03480	0.2
83.01379	2.3
85.02944	5.6
86.00098	0.4
87.00336	0.1
87.00870	3.0
89.02438	6.0
89.80571	0.1
93.03452	0.2
95.01382	4.2
96.99322	0.2
97.02941	0.8
98.20525	0.1
99.00876	1.9
99.04485	0.1
101.02438	8.3
109.02947	0.3
111.00893	0.5
112.01659	0.6
112.66214	0.1
113.02442	9.3
119.03498	2.3
125.02433	0.4
129.01927	0.3
131.03496	3.3
137.02434	0.3
139.00368	0.9
143.03494	1.0
149.04536	0.1
149.81606	0.1
157.01416	0.6
159.02968	0.7
161.04538	5.1
179.05605	1.4
221.06648	5.4
222.06917	0.2
263.07605	0.3
301.05566	0.1
387.26788	0.2
395.29724	0.1
403.30072	0.4
405.27985	0.4
407.29535	0.4
411.32593	0.1
421.31113	0.9
423.28787	0.5
423.33817	0.5
425.30447	0.2
439.32132	4.8
440.32611	0.3
441.33691	1.9
442.33740	0.1
453.30164	0.1
485.32965	0.2
509.36264	0.3
537.35767	0.4
778.53943	0.1
923.46289	0.9
924.45874	0.2
941.46704	0.2
1061.70801	0.1
1096.74121	0.1
1103.52686	100.0
1104.52881	15.4
1106.72131	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03449	0.2
83.01379	2.6
84.02153	0.1
85.02943	6.4
86.00097	0.6
87.00871	3.7
89.02439	7.5
93.03465	0.2
95.01379	5.0
96.99310	0.3
97.02946	0.9
97.06596	0.1
98.00105	0.1
99.00872	2.0
99.04519	0.1
101.02436	11.0
102.02806	0.2
105.53763	0.1
109.02928	0.3
111.00875	0.7
111.04496	0.1
112.01665	0.6
113.02442	11.0
114.02768	0.1
115.04008	0.1
119.03499	2.7
122.62894	0.2
123.04567	0.1
125.02429	0.5
125.09706	0.1
129.01912	0.3
131.03496	4.3
137.02429	0.3
137.09737	0.1
139.00360	1.0
139.03952	0.1
141.01973	0.1
143.03502	1.4
149.04527	0.2
151.03969	0.1
153.01846	0.1
157.01428	0.7
159.02986	0.9
161.04539	6.4
162.04892	0.1
167.03531	0.1
179.05582	1.9
185.70940	0.1
205.03473	0.1
215.14381	0.3
221.06638	7.7
222.06982	0.2
263.07745	0.3
301.05685	0.1
308.49106	0.1
319.06726	0.1
320.84134	0.1
337.22058	0.1
355.22882	0.3
357.24469	0.1
387.27103	0.3
387.67624	0.1
389.24744	0.2
391.26083	0.1
399.11221	0.1
403.30212	0.2
405.27884	0.7
407.29636	0.4
421.31122	1.0
422.31473	0.1
423.32910	1.2
424.33206	0.1
425.30762	0.1
437.30634	0.1
438.27695	0.1
439.32120	5.3
440.33130	0.5
441.33786	1.2
453.30234	0.1
459.34628	0.2
485.32703	0.3
502.79388	0.1
509.36380	0.4
537.35980	0.3
539.33850	0.2
553.34985	0.1
717.42419	0.1
743.39850	0.1
761.41663	0.2
779.42413	0.3
798.05249	0.1
923.47125	0.8
924.46613	0.2
941.47943	0.3
945.04779	0.1
1103.52625	100.0
1104.52917	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	1103.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
76.68866	0.2
79.95718	0.2
81.03444	0.2
83.01373	3.0
85.02440	0.4
85.02943	6.4
86.00095	0.4
87.00871	3.4
89.01922	0.4
89.02443	5.9
93.03450	0.3
95.01378	4.8
96.95996	1.9
96.99310	0.3
97.02934	0.8
97.06570	0.3
99.00877	2.1
101.02434	10.6
101.24717	0.2
109.02943	0.6
111.00849	0.5
112.01646	0.6
113.02443	9.2
119.03489	2.2
125.02433	0.6
129.01915	0.3
131.03482	4.3
137.02426	0.3
137.09660	0.2
139.00380	1.2
143.03493	1.0
145.02954	0.2
149.04439	0.2
150.03183	0.5
151.04012	0.2
157.01396	0.6
159.02946	0.8
161.02548	0.2
161.04533	5.3
165.01875	0.2
165.05545	0.3
179.05583	1.3
195.06725	0.2
221.06636	5.6
255.11201	0.2
263.07788	0.4
297.97681	0.4
312.99902	0.6
328.02219	0.7
343.04584	1.0
355.11923	0.3
365.28564	0.2
379.82657	0.2
421.31039	0.6
423.00272	0.3
423.32681	0.8
439.32117	3.7
441.33575	2.3
441.39142	0.3
509.36337	0.5
537.35687	0.3
923.45984	1.4
924.45160	0.2
930.58142	0.2
941.48480	0.4
952.52917	0.2
1074.25757	0.2
1103.52698	100.0
1104.52820	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	1103.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
78.38636	0.2
83.01376	2.9
85.02944	6.2
86.00089	0.5
87.00869	3.1
89.02443	6.3
93.03463	0.3
95.01382	3.9
96.95998	1.2
96.99306	0.4
97.02421	0.2
97.02953	0.9
99.00883	2.1
101.02438	9.5
109.02969	0.4
111.00905	0.5
111.08164	1.4
112.01640	0.7
113.02448	10.6
119.03479	2.5
125.02419	0.7
129.01929	0.3
129.23009	0.2
131.03500	3.4
137.02435	0.6
139.00366	0.9
143.03470	0.9
149.02333	0.3
149.04497	0.3
150.03227	0.2
157.01439	0.4
159.02975	0.8
161.04550	5.8
179.05536	1.4
221.06664	6.2
263.07629	0.3
341.25040	0.3
343.04413	0.3
355.26303	0.4
421.31088	1.5
423.28345	0.5
423.32867	0.9
437.30582	0.3
439.32147	7.2
440.32507	0.6
441.33746	4.2
509.36179	0.3
537.36102	0.4
558.04071	0.2
733.84094	0.2
923.47180	1.1
1103.52734	100.0
1104.52917	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	1103.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.2
83.01387	2.2
84.02171	0.2
85.02942	6.2
86.00096	0.4
87.00871	3.4
87.91736	0.1
89.02440	6.2
93.03450	0.2
95.01381	4.2
96.96005	0.4
96.99299	0.4
97.02940	1.1
97.06572	0.3
98.20567	0.3
99.00876	2.1
101.02436	10.1
109.02946	0.6
111.00874	0.6
112.01646	0.6
113.02442	10.8
114.02805	0.2
119.03496	1.9
125.02431	0.6
129.01953	0.2
131.03496	3.8
137.02417	0.5
139.00389	1.0
143.03470	1.0
143.17094	0.1
149.04582	0.2
151.04051	0.2
157.01372	0.6
159.02957	0.9
161.04543	5.7
179.03995	0.1
179.05579	1.4
204.94702	0.1
221.06642	7.0
233.15443	0.2
263.01477	0.2
263.07651	0.4
339.27005	0.3
375.27539	0.5
395.29153	0.2
397.30673	0.3
405.27960	0.3
407.25793	0.5
409.27490	0.4
421.83270	0.1
423.28915	0.7
425.30606	0.7
439.32150	6.0
440.32574	0.6
441.33844	2.2
442.33609	0.2
485.32922	0.2
509.36435	0.4
537.36078	0.3
572.19403	0.2
638.72253	0.2
743.39886	0.3
779.43872	0.2
827.46521	0.2
923.46619	1.3
941.47168	0.2
943.49042	0.7
1085.51892	0.4
1103.52698	100.0
1104.52930	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95740	0.4
83.01388	2.6
85.02948	6.1
85.18614	0.2
86.00090	0.7
86.03242	0.2
87.00870	3.3
89.02440	6.4
95.00813	0.3
95.01382	4.3
96.96005	2.0
97.02930	0.8
97.06612	0.3
98.20600	0.4
99.00877	2.0
99.24581	0.2
101.02434	10.0
109.02973	0.3
111.00882	0.5
112.01645	0.7
113.02444	9.9
119.03497	2.4
123.04418	0.2
125.02425	0.7
129.01907	0.3
131.03493	3.7
137.02420	0.4
139.00360	0.9
140.85278	0.2
143.03453	0.7
149.02460	0.2
149.04491	0.4
150.03201	0.3
157.01326	0.5
159.02951	0.8
161.04543	5.0
165.05634	0.2
177.89386	0.2
179.05595	1.5
213.05490	0.2
221.06641	5.8
221.08768	0.3
255.02823	0.2
263.07516	0.3
275.02307	0.2
297.97507	0.3
300.99808	0.3
312.99756	0.8
328.02213	0.9
343.04575	1.1
421.31064	0.7
423.00275	0.6
423.32791	0.5
435.29056	0.2
439.32047	4.0
440.32556	0.3
441.33542	2.3
537.35529	0.2
539.33783	0.3
644.44250	0.2
923.46869	1.5
941.48889	0.4
1103.52722	100.0
1104.52905	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.565
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	0.2
83.01380	2.5
84.02162	0.1
85.02945	5.7
86.00082	0.5
87.00871	3.2
89.02438	6.6
93.03435	0.2
95.01381	4.7
96.01748	0.1
96.96004	0.1
96.99321	0.3
97.02941	1.0
97.06580	0.1
98.19848	0.1
99.00871	2.2
101.02434	10.7
101.99589	0.1
102.02785	0.1
103.04000	0.1
107.29800	0.1
109.02951	0.2
111.00879	0.7
111.06550	0.1
112.01640	0.7
113.02441	10.4
114.02745	0.2
119.03490	2.2
123.04501	0.1
125.02438	0.5
127.04050	0.1
129.01950	0.4
131.03491	4.1
137.02414	0.4
137.09729	0.1
139.00374	1.0
141.43304	0.1
143.03493	1.1
149.04521	0.2
150.03259	0.1
157.01442	0.7
159.02992	0.7
161.04538	6.0
162.04939	0.1
165.01892	0.1
179.05588	1.8
221.06638	6.9
222.07013	0.2
236.41519	0.1
237.06174	0.1
249.06232	0.1
263.07693	0.4
301.05618	0.1
319.06558	0.1
319.39221	0.1
338.54813	0.1
391.30017	0.1
393.31546	0.2
405.27829	0.1
407.33603	0.1
421.34738	0.2
423.32605	0.4
431.54279	0.1
437.34250	0.2
439.35831	5.7
440.36093	0.6
441.37711	0.3
457.36905	0.1
459.38733	0.2
483.35025	0.1
485.36252	0.2
491.38528	0.1
503.37082	0.1
509.40155	0.4
537.39594	0.3
538.39789	0.1
539.37195	0.2
741.66742	0.1
743.43921	0.1
779.46198	0.3
923.50140	1.2
924.50592	0.1
941.51379	0.2
1103.56177	100.0
1104.56396	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	1105.304
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95722	0.3
81.03478	0.3
83.01373	1.6
85.02957	1.3
87.00876	0.6
89.02441	1.8
89.03970	0.4
91.01929	0.5
93.03450	2.7
95.01397	0.8
96.96011	1.2
97.02948	1.2
98.20692	0.4
99.00858	0.6
99.04481	0.3
101.02426	1.7
107.01379	4.0
108.02197	0.2
109.02942	1.4
112.75879	0.2
113.02448	2.0
117.03458	13.6
118.03797	0.5
119.03483	1.0
119.05019	5.0
121.02939	0.7
123.00862	0.6
123.95984	0.2
125.01523	0.3
125.02438	5.5
127.03999	0.5
131.03352	0.2
131.05014	0.4
131.58678	0.2
133.02904	0.3
135.00880	1.1
135.04469	0.3
137.02432	1.3
141.07092	0.5
143.03505	0.6
143.05011	2.0
145.02945	28.1
146.03329	0.7
147.04529	0.5
149.02422	0.4
151.00354	6.6
151.04041	0.3
153.01909	0.4
154.04253	0.6
155.04955	0.5
156.05759	0.7
157.06584	1.4
158.03696	0.5
159.04512	2.5
161.02431	0.7
161.04564	1.0
161.06023	0.5
163.00340	2.9
163.03995	4.6
164.01125	0.9
165.01913	0.7
167.04987	1.1
169.01393	0.9
169.02789	0.3
169.06548	0.8
171.04497	1.5
173.02434	0.4
173.06017	0.3
177.01956	0.3
178.99805	0.5
179.03441	0.3
179.04030	0.4
179.05618	4.4
182.03711	0.6
183.04500	2.4
184.05339	0.3
185.06059	3.7
187.03989	4.5
189.05536	1.8
191.03363	0.4
192.00710	0.2
195.04501	0.9
195.06284	0.2
196.05186	0.4
197.06071	1.5
198.03209	0.4
199.03944	1.4
201.05582	1.5
205.04988	0.3
211.03983	3.9
212.04613	0.5
213.05553	3.2
214.02698	0.6
215.03455	0.7
217.05115	0.3
223.04063	0.4
224.04785	0.2
227.03471	17.4
227.07132	1.3
228.03857	0.6
229.05034	15.9
230.05347	0.4
239.03485	2.6
239.07559	1.3
240.04207	0.8
241.05006	2.1
243.02951	0.7
253.04979	0.5
255.02959	26.0
256.03659	3.7
257.04532	9.4
267.02759	1.2
271.02979	0.3
271.06104	3.5
283.02454	4.2
283.99924	0.3
284.03244	17.9
285.04013	100.0
286.04373	4.1
287.07770	0.6
307.08203	2.4
325.09122	0.9
347.09683	0.3
393.06192	0.3
433.11172	3.3
451.12912	0.8
493.15500	2.5
513.15668	0.4
553.19629	0.3
621.18347	0.9
639.18945	1.7
640.19849	0.4
652.85358	0.2
761.18689	0.3
777.24591	0.3
801.24176	0.4
819.25763	2.3
941.25415	5.4
942.26056	0.9
959.26648	5.7
960.27252	0.5
1061.40430	0.3
1063.29199	1.2
1087.43384	1.6
1104.52625	1.0
1105.30127	47.2
1105.49316	1.9
1106.30481	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	1105.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01906	0.2
81.03441	0.1
83.01379	1.3
83.05023	0.1
85.02943	0.9
87.00875	0.3
89.02430	1.0
89.03447	0.1
89.03960	0.1
93.03452	2.9
95.01385	0.7
96.96010	0.2
97.02962	0.6
99.00891	0.2
99.04520	0.1
101.02436	0.9
107.01385	3.6
108.02167	0.3
109.02937	1.1
110.03273	0.1
113.02435	0.9
116.02643	0.1
117.03461	12.9
118.03818	0.3
119.01381	0.3
119.03513	0.5
119.05022	5.5
120.05409	0.1
121.02950	0.2
123.00878	0.4
123.04552	0.2
125.02440	2.4
127.04008	0.4
129.03473	0.1
130.04210	0.2
131.05034	0.7
131.61674	0.1
133.02977	0.3
135.00883	1.4
137.02428	0.5
141.07109	0.3
143.03522	0.3
143.05006	1.9
145.02945	29.9
145.06609	0.4
146.03276	0.7
147.04486	0.3
148.01674	0.1
151.00360	6.1
152.00737	0.1
153.01912	0.3
154.04236	0.8
155.05019	0.5
156.05792	0.5
157.02959	0.1
157.06573	1.2
158.03723	0.3
159.04514	2.2
161.02451	0.2
161.04562	0.5
161.06091	0.3
163.00363	2.9
163.03996	6.9
164.01157	0.8
164.04442	0.2
165.01950	0.6
167.05006	0.9
168.05719	0.2
169.01410	0.8
169.02705	0.2
169.06573	1.0
171.04520	1.4
173.02422	0.3
173.06018	0.4
174.03162	0.1
175.03944	0.1
177.26996	0.1
178.99921	0.2
179.05589	1.5
182.03716	0.4
183.04500	1.5
183.06001	0.2
184.05209	0.4
185.02419	0.4
185.06058	3.7
186.06345	0.1
187.03984	4.3
188.04303	0.2
189.05525	1.3
190.99741	0.2
191.03508	0.1
192.00613	0.2
195.04527	1.0
196.00264	0.2
196.05263	0.4
197.06075	1.1
198.03175	0.3
199.03970	0.9
201.05554	1.3
210.03114	0.2
211.03986	2.8
212.04634	0.4
213.01962	0.1
213.05528	2.8
213.07579	0.2
214.02757	0.6
214.05931	0.1
215.03519	0.5
217.05025	0.2
223.04076	0.3
224.04729	0.1
226.02792	0.2
227.03474	8.9
228.03893	0.4
229.05037	14.1
230.05368	0.6
239.03462	1.9
239.07547	0.4
240.04280	1.0
241.05014	1.9
242.05536	0.2
243.03000	0.6
247.08084	0.1
255.02969	11.7
256.03644	1.8
257.04541	8.6
257.07358	0.2
258.04956	0.3
265.07123	0.1
267.03021	0.9
268.03589	0.3
271.02667	0.1
271.06119	0.2
283.02475	1.9
283.99942	0.1
284.03250	6.3
285.04019	100.0
286.04358	4.3
287.07788	0.3
301.03421	0.2
307.08051	1.0
325.09241	0.4
347.09836	0.1
367.12091	0.1
382.53394	0.1
433.11389	1.1
434.11734	0.2
451.14447	0.5
453.13965	0.2
469.14798	0.2
493.15402	0.9
513.16132	0.2
595.18768	0.4
613.19897	1.1
614.20441	0.1
615.19055	0.4
631.21008	0.5
639.19458	0.2
655.20520	0.3
657.20038	0.7
673.21753	0.5
759.23438	4.2
760.23883	0.4
777.24518	8.2
778.24579	0.7
801.24176	0.2
819.25592	23.9
820.25714	2.4
941.25269	0.5
959.26666	2.4
960.26672	0.2
1063.29016	0.2
1070.65601	0.1
1070.89343	0.1
1105.30322	21.1
1106.30469	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	1105.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.2
83.01380	2.6
84.02160	0.1
85.02946	6.7
86.00089	0.6
86.03297	0.0
87.00869	3.5
88.17075	0.0
89.02438	7.2
90.02747	0.0
93.03453	0.2
95.01381	4.7
96.01743	0.1
96.77435	0.0
96.99325	0.2
97.02937	0.9
97.06574	0.1
99.00872	2.2
99.01522	0.1
99.04544	0.1
101.02437	11.7
102.02768	0.1
103.04014	0.1
109.02973	0.4
111.00879	0.6
112.01658	0.8
113.02442	11.2
114.02789	0.1
115.03997	0.1
119.03491	2.4
125.02434	0.6
125.09734	0.1
129.01923	0.3
131.03496	4.1
132.03831	0.1
137.02432	0.3
137.09709	0.3
139.00365	1.0
141.01921	0.1
142.36928	0.0
143.03485	1.1
149.04570	0.2
151.03944	0.1
155.03496	0.1
157.01401	0.7
159.02995	0.8
161.04543	6.8
162.04875	0.1
167.03505	0.0
179.05600	1.8
187.14905	0.1
189.12881	0.1
205.03482	0.1
217.16145	0.1
221.06641	7.6
222.06938	0.2
230.43176	0.1
233.15425	0.1
249.06165	0.0
257.06613	0.1
263.07690	0.4
301.05530	0.1
323.09995	0.1
349.25372	0.1
373.25266	0.4
375.26813	0.1
389.28436	0.1
393.28186	0.1
399.11270	0.1
403.30051	0.2
405.27597	0.2
405.32294	0.3
406.32019	0.1
407.25504	0.0
407.29480	0.4
421.31104	0.7
422.31216	0.1
423.32980	1.6
424.33350	0.1
425.29895	0.1
425.34937	0.1
439.32123	1.5
440.32593	0.1
441.33685	5.7
442.33911	0.5
443.35254	0.7
453.29617	0.1
461.36356	0.1
487.34314	0.3
487.95752	0.0
511.38132	0.4
537.35651	0.0
539.37457	0.3
541.35413	0.2
719.43927	0.1
745.41327	0.2
763.42340	0.1
781.43536	0.2
832.39111	0.1
925.47760	1.0
926.48267	0.1
943.48035	0.3
1105.54175	100.0
1106.54395	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	2.4
83.14249	0.4
85.02956	5.8
85.57420	0.3
86.00087	0.4
87.00876	3.1
89.01907	0.7
89.02438	6.6
95.01374	3.4
97.02950	1.0
99.00846	2.0
101.02432	8.7
111.00900	0.4
113.02444	8.5
119.03484	2.0
119.27075	0.4
126.45135	0.4
131.03476	3.2
139.00333	0.5
143.03476	0.8
157.01398	0.7
159.02980	1.0
161.04538	5.0
179.05623	1.3
201.13972	0.4
221.06604	5.5
263.07794	0.7
389.28806	0.4
405.31635	1.5
421.30865	0.4
423.32684	0.6
425.34244	0.9
441.33615	5.2
443.35175	2.8
469.33441	0.5
511.38004	0.7
718.86194	0.4
925.47418	1.0
943.48541	0.6
998.60388	0.4
1105.54236	100.0
1106.54492	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	1105.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03443	0.2
83.01385	1.9
83.33888	0.1
84.02165	0.1
85.02945	7.3
86.00090	0.5
87.00867	3.3
87.01366	0.2
89.02440	5.9
93.03442	0.2
95.01384	3.8
96.95988	0.2
96.99308	0.2
97.02931	0.8
98.00063	0.2
99.00883	1.9
101.02438	8.3
105.99460	0.1
107.20760	0.1
109.02940	0.3
111.00883	0.5
112.01650	0.8
113.02444	10.4
119.03501	1.9
125.02444	0.6
129.01924	0.3
131.03503	4.4
137.02428	0.2
139.00336	0.8
143.03481	0.8
149.02472	0.1
149.04590	0.2
149.35490	0.1
150.03203	0.1
151.00334	0.1
157.01457	0.5
159.02995	0.7
161.04547	5.8
165.01863	0.1
179.05600	1.1
179.98199	0.1
181.05040	0.2
221.06642	6.1
239.12505	0.1
258.82816	0.1
263.07751	0.2
285.04138	0.1
296.17004	0.1
312.99741	0.3
314.00369	0.1
369.10028	0.1
393.31848	0.1
405.27859	0.1
407.29565	0.5
417.15494	0.2
421.31140	0.2
423.32715	1.5
439.10400	0.2
439.32263	0.1
441.33835	0.2
443.35236	0.2
453.33594	0.6
467.31589	0.3
471.34753	2.6
472.35199	0.3
473.36279	0.4
475.05280	0.3
476.05362	0.1
517.35455	0.2
541.38849	0.5
569.38263	0.4
571.36292	0.3
925.48071	0.7
1105.54248	100.0
1106.54419	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	1107.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03938	0.7
80.02654	0.7
81.03445	4.5
83.01380	10.3
83.05009	1.6
85.02946	2.9
85.62383	0.6
87.00874	1.3
89.02441	3.1
93.03448	2.6
95.01350	1.8
95.05019	2.0
96.96004	1.8
97.02966	4.9
99.00857	0.9
99.04487	1.7
101.02447	4.0
107.05064	2.0
108.02154	1.1
109.02941	6.8
109.06611	0.6
111.00867	0.7
113.02416	2.4
120.02187	0.6
122.03736	1.7
123.00828	1.2
124.01652	1.5
125.02439	40.3
131.05014	0.8
133.02971	1.5
135.04530	3.6
137.02437	30.4
139.03973	1.4
139.06578	0.5
145.02965	0.6
146.03720	17.0
147.04422	2.0
149.02402	2.3
149.06165	0.6
150.03220	1.6
151.03976	4.4
158.03693	1.5
159.04506	6.6
160.05338	2.8
161.02446	1.7
161.04564	1.0
161.06079	1.9
162.03181	1.3
163.00389	1.1
163.03934	1.0
163.11249	1.6
164.01138	10.9
165.01926	23.1
165.12820	0.7
166.02527	0.7
167.03491	13.7
167.04912	0.9
171.04446	0.6
172.05276	5.8
173.02339	0.6
173.06041	3.6
174.01732	0.9
174.03192	9.4
174.06812	2.7
175.04002	3.1
176.04686	1.8
177.01933	5.1
179.03508	7.3
179.05058	0.7
179.05597	0.5
181.04994	0.8
184.05196	0.8
185.06061	1.8
186.03114	0.7
186.06787	1.9
187.03973	4.4
187.07623	1.0
188.04776	7.0
189.05566	1.6
189.09253	0.7
190.02676	0.8
191.03442	0.7
191.30232	0.6
195.04578	0.7
197.06088	1.4
198.06825	1.1
199.04028	1.3
199.07643	1.1
200.04761	3.8
200.08417	1.1
201.05606	2.8
202.06325	1.1
203.03500	1.0
204.04257	3.8
209.06067	2.1
209.11809	17.2
210.06859	1.4
210.12282	0.8
211.03986	1.7
211.07567	0.8
211.13495	0.7
212.04762	6.2
212.08228	0.7
213.05243	0.8
218.05800	0.6
221.06465	2.8
222.06708	0.9
223.07596	1.1
224.04865	1.4
225.05557	4.2
225.12854	0.9
226.06276	2.1
227.07179	1.4
229.04895	0.9
229.12106	0.9
234.06967	0.7
237.05505	1.9
238.06200	0.7
239.07089	0.8
243.13853	2.0
244.07381	0.7
245.11876	0.6
251.07166	3.3
252.07791	2.8
253.12405	0.6
255.13809	2.9
265.08582	1.0
267.06802	0.6
267.94684	0.6
268.07324	1.8
269.08301	1.3
269.11774	3.7
269.15384	1.0
269.97995	3.7
270.08920	2.1
270.12360	1.2
271.13370	27.4
272.13760	0.9
276.08026	0.9
278.05856	0.8
281.11865	0.6
281.15253	0.7
283.10410	0.8
283.13327	3.1
285.00452	6.0
285.14920	3.9
287.12814	1.7
288.06454	0.8
289.14380	9.2
293.08215	1.0
294.09073	4.7
295.13428	3.0
297.14868	2.3
297.97513	19.1
298.97818	0.8
299.12860	7.6
300.13260	0.9
301.14401	3.2
307.13351	0.7
309.14935	1.9
311.13028	1.0
312.99875	39.2
313.14435	13.0
314.00269	4.1
315.15991	2.6
317.13870	4.2
320.06918	1.3
325.14435	9.9
327.15958	0.9
328.02206	50.1
329.02499	4.5
331.15500	2.4
333.15027	1.3
335.12854	1.0
335.16364	3.6
337.14417	8.6
338.14890	0.9
343.04541	58.4
343.15424	5.7
344.04816	6.0
351.15866	1.8
353.17590	2.0
355.15604	3.9
359.16766	0.8
361.14316	0.7
369.17035	1.1
377.17599	4.3
379.15521	2.3
391.15192	1.0
391.19611	0.8
393.16760	2.7
395.18781	4.2
401.17606	1.5
411.17960	1.0
413.19690	1.5
419.18658	10.8
420.19376	0.7
423.00238	32.5
424.00415	3.1
437.19604	7.4
445.16229	1.3
463.17786	4.0
481.18567	1.1
657.20355	0.6
729.29889	2.4
753.30090	1.8
759.30774	1.2
835.34003	2.9
853.34998	1.0
861.34802	0.6
879.33167	2.6
909.41083	1.3
921.41089	1.0
925.40900	1.3
927.40515	1.6
939.42163	15.5
940.41595	1.9
951.42120	8.3
952.42450	1.1
963.42194	10.1
969.25183	1.2
969.43445	12.8
970.43536	1.6
981.41724	0.9
1005.42969	0.7
1027.44861	1.0
1028.42761	0.7
1045.46521	12.6
1046.47571	2.4
1063.44275	2.7
1071.44263	8.5
1072.43726	0.9
1089.45398	100.0
1090.45667	17.1
1106.52698	1.5
1107.46375	75.4
1108.47095	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	1109.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	0.1
83.01381	2.3
83.01872	0.1
85.02945	5.6
86.00087	0.3
87.00865	1.7
89.02437	6.0
91.77432	0.1
92.98578	0.1
93.03449	0.2
95.01380	3.7
96.21906	0.1
96.99304	0.2
97.02934	0.6
99.00867	1.8
99.04486	0.1
101.02437	7.2
109.02934	0.2
111.00897	0.4
112.01656	0.6
113.02441	9.0
114.02743	0.1
114.44971	0.1
115.00433	0.1
119.03498	1.0
120.56615	0.1
125.02406	0.3
131.03491	6.5
132.25783	0.1
135.56464	0.1
137.02419	0.4
137.09715	0.1
139.00372	0.9
143.03465	0.3
149.04543	1.9
157.01418	0.7
161.04544	0.8
167.03447	0.1
191.05594	6.9
192.05943	0.1
233.06607	0.6
233.15382	0.1
248.14638	0.1
325.21710	0.1
385.25381	0.1
387.26913	0.1
395.29645	0.1
396.73737	0.1
403.29916	0.4
405.27896	0.4
407.29562	0.3
421.31049	1.0
423.28116	0.2
423.33487	0.7
425.30566	0.3
439.32104	5.1
440.32654	0.5
441.33704	2.8
442.34033	0.2
485.32468	0.3
501.21237	0.1
509.36005	0.4
537.35504	0.4
539.33582	0.1
761.41241	0.2
779.42358	0.3
893.29987	0.1
893.44983	0.5
941.47577	0.2
1073.51550	100.0
1074.51953	15.9
1108.53699	0.3
1109.54883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
55.01877	35.7
58.02688	1.9
67.01886	22.3
68.18330	2.0
71.01369	7.4
71.07766	4.8
73.82776	2.3
78.95895	11.6
83.01381	100.0
84.01707	2.0
86.72434	2.0
110.97590	16.0
111.00874	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01877	26.5
67.01890	52.7
68.02217	4.4
71.01375	6.5
74.73737	2.2
76.57489	2.3
78.95921	12.7
82.28288	2.3
83.01379	82.1
84.01698	3.7
87.65067	2.2
110.97587	4.8
111.00870	100.0
112.01207	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	1115.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19662	0.4
124.08928	0.1
130.00555	0.2
150.03206	0.3
179.96387	0.1
188.04582	0.2
197.99438	0.1
205.24219	0.1
213.01497	0.1
213.99046	0.2
235.76808	0.2
241.98550	0.2
254.99359	0.6
257.00949	0.7
269.00879	0.6
269.98026	6.0
270.98453	0.2
282.98709	0.2
283.99548	0.2
285.00397	10.2
286.00665	0.5
297.00247	0.3
297.97522	33.1
298.97894	1.9
299.01877	0.5
311.99060	0.3
312.99866	70.8
314.00226	4.1
327.01382	0.7
328.02203	82.6
329.02573	5.2
330.03055	0.2
343.04544	100.0
344.04871	7.1
345.05377	0.3
423.00244	63.7
424.00546	4.3
424.04752	0.1
425.00247	0.5
953.39069	0.3
1115.45984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.2
83.01382	3.6
84.02155	0.1
85.02944	9.7
86.00093	0.4
86.03310	0.1
86.31928	0.1
87.00871	2.4
89.02439	7.9
90.02758	0.1
93.03447	0.3
95.01382	4.8
96.95988	0.1
96.99315	0.4
97.02944	0.9
98.00101	0.1
98.03751	0.1
98.37212	0.1
99.00874	2.5
99.04498	0.1
99.66871	0.1
101.02437	8.7
109.02950	0.5
111.00887	0.6
111.08202	0.1
112.01662	0.8
113.02442	12.4
114.02779	0.2
115.03929	0.1
119.03510	0.8
123.00867	0.1
123.04536	0.1
125.02455	0.6
127.04012	0.1
129.01939	0.2
131.03496	9.2
132.03833	0.1
137.02452	0.5
137.09619	0.1
139.00356	1.3
141.01881	0.1
143.03493	0.5
145.15086	0.1
147.77458	0.1
149.02632	0.1
149.04544	2.1
153.66402	0.1
155.03526	0.1
157.01419	1.1
161.04539	1.1
167.03670	0.1
179.03412	0.1
179.05566	0.1
191.05595	6.9
192.05975	0.2
197.47711	0.1
206.08133	0.1
215.14426	0.1
221.06561	0.1
233.06650	0.7
233.15370	0.1
253.75893	0.1
257.06586	0.1
311.09744	0.1
312.43182	0.1
325.21664	0.1
385.25244	0.1
387.26865	0.2
395.29239	0.1
403.29849	0.6
405.27521	0.6
407.29593	0.5
421.25964	0.1
421.31149	1.4
422.31604	0.1
423.28369	0.3
423.33514	0.8
424.33356	0.1
425.30078	0.3
437.30762	0.1
439.32108	6.9
440.32578	0.7
441.33719	2.9
442.34048	0.3
453.29999	0.2
459.34677	0.1
485.32590	0.5
509.36459	0.4
537.35669	0.5
539.33832	0.3
555.36914	0.1
579.36597	0.1
717.42169	0.2
743.40137	0.1
761.41602	0.2
779.42737	0.1
803.41974	0.1
893.45288	2.1
894.45233	0.3
923.46271	0.1
941.47668	0.1
983.48547	0.3
1011.51416	0.1
1055.51038	1.3
1056.50720	0.2
1073.51343	1.7
1074.52722	0.3
1115.52612	100.0
1116.52820	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	1115.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03444	0.3
83.01381	3.3
84.01696	0.1
84.02151	0.1
84.11122	0.1
85.02946	8.1
86.00090	0.5
87.00867	3.1
89.02437	6.3
90.65385	0.1
93.03436	0.3
95.01381	4.4
96.01733	0.1
96.96008	0.1
96.99336	0.3
97.02940	1.0
97.06597	0.1
98.03740	0.1
98.19820	0.2
99.00873	2.3
99.04517	0.1
101.02436	9.1
102.02760	0.1
104.30093	0.1
109.02948	0.5
111.00875	0.7
111.08089	0.1
112.01662	0.8
112.19618	0.1
112.42768	0.1
113.02441	11.3
114.02738	0.1
118.96099	0.1
119.03494	1.7
121.03003	0.1
123.04523	0.1
125.02438	0.7
127.04029	0.1
129.01918	0.3
131.03491	5.8
134.97821	0.1
137.02464	0.5
137.09836	0.1
139.00351	1.0
139.03966	0.1
141.01897	0.1
143.03490	0.8
149.04529	1.0
155.03429	0.1
157.01421	0.7
159.03009	0.4
161.04532	3.7
169.87781	0.1
173.00874	0.1
179.05611	0.8
191.05598	2.9
191.07335	0.2
203.88367	0.1
221.06645	3.4
233.06616	0.3
233.15424	0.1
257.06680	0.1
263.07648	0.3
299.99664	0.1
325.21655	0.1
339.26758	0.1
387.26709	0.1
389.28958	0.1
395.29602	0.2
403.30017	0.5
405.27670	0.5
407.29510	0.6
419.29758	0.1
421.31122	1.2
422.31543	0.1
423.28342	0.3
423.33627	0.6
424.33313	0.1
425.30432	0.3
439.32111	6.2
440.32468	0.5
441.33685	2.9
442.33948	0.3
453.30020	0.2
459.34897	0.2
485.32819	0.4
486.32486	0.1
509.36426	0.3
537.35797	0.6
539.33752	0.2
553.34814	0.1
555.36700	0.2
585.53101	0.1
717.41962	0.1
755.40265	0.1
761.40967	0.1
785.40015	0.1
893.44958	0.9
894.45978	0.2
923.46423	0.6
924.47791	0.1
935.44788	0.1
983.48608	0.1
1055.50684	0.7
1056.49976	0.1
1073.50439	0.6
1087.51587	0.2
1115.52600	100.0
1116.52771	16.9
1145.53052	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.527
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	2.7
84.02163	0.2
85.02940	7.6
86.00103	0.5
86.03258	0.1
87.00867	3.3
89.02438	5.0
90.70561	0.1
93.03425	0.2
93.42349	0.1
95.01379	3.9
95.01997	0.2
95.63887	0.1
96.99296	0.6
97.02935	1.0
98.20734	0.2
99.00866	2.4
99.04501	0.1
101.02431	8.8
102.02757	0.1
109.02893	0.2
111.00868	0.8
112.01656	0.9
113.02438	11.0
114.02734	0.2
115.36085	0.1
119.03479	1.7
125.02442	0.5
129.01904	0.4
131.03488	5.1
137.02425	0.2
139.00371	0.9
143.03467	0.8
149.04555	0.3
157.01408	0.7
159.02963	0.6
161.04530	5.6
179.05606	1.3
205.03526	0.1
215.14458	0.1
221.06633	5.5
233.15694	0.1
257.06714	0.1
263.07678	0.3
369.10043	0.1
387.26880	0.2
395.29568	0.1
403.29950	0.4
405.27719	0.3
407.29709	0.4
421.30984	0.9
423.28131	0.3
423.33560	0.6
425.30273	0.2
439.32104	5.3
440.32458	0.4
441.27994	0.2
441.33740	2.7
442.33652	0.2
459.35345	0.2
485.32745	0.3
509.36032	0.5
537.35449	0.5
539.33862	0.2
641.44208	0.1
893.45264	0.8
894.45441	0.2
911.47278	0.1
953.46533	0.1
1055.50464	0.5
1073.51294	0.2
1115.52600	100.0
1116.52771	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50249	0.2
80.90261	0.2
81.03456	0.2
83.01385	2.1
84.02173	0.2
85.02945	6.5
86.00087	0.4
87.00867	3.3
89.02436	7.6
95.01382	4.6
96.96008	0.6
96.99319	0.4
97.02959	1.3
97.06583	0.2
99.00876	2.2
101.02436	10.5
106.74067	0.2
109.02938	0.5
111.00884	0.6
112.01651	0.8
113.02447	10.9
119.03500	2.5
125.02441	0.7
129.01904	0.4
131.03496	3.7
137.02402	0.3
139.00337	0.8
143.03523	1.0
145.68159	0.2
151.11263	2.4
157.01384	0.6
159.02985	0.7
161.03239	0.3
161.04544	6.0
176.35640	0.2
179.05597	1.8
198.60399	0.2
211.16650	0.2
216.28603	0.2
221.06631	5.7
221.08763	0.3
263.07632	0.5
269.18954	0.3
271.20697	0.3
299.20197	0.6
317.45465	0.2
407.29407	0.3
421.31042	1.4
423.32657	3.0
425.34293	0.8
451.32150	5.0
452.32446	0.4
453.33981	0.4
471.34906	0.5
521.36212	0.3
549.35858	0.4
591.93427	0.2
750.14386	0.3
935.47296	1.1
936.46350	0.3
953.47394	0.3
1115.52673	100.0
1116.52783	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
83.00904	0.2
83.01381	2.5
84.02174	0.1
84.32243	0.1
85.02946	6.9
86.00080	0.7
87.00870	3.6
89.02438	8.4
93.03443	0.1
95.01385	4.3
96.96019	0.2
96.99294	0.3
97.02942	0.9
98.20822	0.1
99.00879	2.2
101.02438	10.6
109.02952	0.4
111.00877	0.7
112.01676	0.6
113.02445	11.0
119.03503	3.0
125.02460	0.6
129.01933	0.4
131.03502	4.1
137.02397	0.3
139.00357	1.0
143.03496	1.0
149.04506	0.4
157.01431	0.6
159.02995	0.7
161.04541	6.2
165.02042	0.1
168.58374	0.1
179.05615	1.7
185.91913	0.1
188.45076	0.1
193.35568	0.1
193.53745	0.1
205.03448	0.1
221.06645	6.5
222.06908	0.2
229.12291	0.4
255.13875	0.6
263.07700	0.4
273.15097	0.1
351.23181	0.1
368.23743	0.2
389.24890	0.2
390.25824	0.1
407.25845	0.3
409.31366	0.2
419.29611	0.2
420.26404	0.3
421.27350	0.1
422.24170	1.7
422.28296	3.2
423.24780	0.3
424.26102	1.1
425.26248	0.2
435.28906	0.3
437.30585	3.6
438.30936	0.3
439.28113	0.2
440.29266	1.6
441.29919	0.2
450.27112	0.1
453.29999	1.3
455.31656	0.6
464.29132	0.1
492.28604	0.1
518.30664	0.1
523.34277	0.4
533.32672	0.2
536.31293	0.7
551.34052	0.7
551.45984	0.1
553.31329	0.1
554.32410	0.4
569.34558	0.1
580.29510	0.1
700.33435	0.1
731.39728	0.2
757.37677	0.2
775.38879	0.1
793.39435	0.2
937.44263	1.3
938.44562	0.2
955.45593	0.2
1117.50610	100.0
1118.50720	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	1117.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	0.1
83.01379	2.5
83.04960	0.1
84.02157	0.1
85.02945	5.9
86.00098	0.5
87.00322	0.1
87.00870	3.1
89.02439	7.9
90.02784	0.1
93.03452	0.1
95.01381	4.2
96.99335	0.4
97.02942	0.8
98.00088	0.1
99.00871	2.1
101.02437	11.0
102.02746	0.2
109.02940	0.3
111.00887	0.6
112.01671	0.7
113.02442	10.5
114.02762	0.1
115.04029	0.1
119.03497	2.4
124.18633	0.2
125.02423	0.4
129.01917	0.3
131.03496	3.7
137.02408	0.2
137.09674	0.1
139.00365	0.9
143.03500	1.1
149.04552	0.2
151.11298	0.2
155.03532	0.1
157.01405	0.7
159.02971	0.8
161.04549	6.2
162.04924	0.1
179.05602	1.7
205.03447	0.1
221.06638	6.2
222.06982	0.2
249.06104	0.1
257.06738	0.1
263.07681	0.4
301.05783	0.1
319.06427	0.1
391.30127	0.3
407.33322	0.8
409.30923	0.1
421.30835	0.2
423.32687	0.8
425.34274	0.9
435.32593	0.4
437.34384	0.3
450.09198	0.1
453.33716	4.1
454.33911	0.4
455.35217	0.7
499.34494	0.2
523.37878	0.4
551.37451	0.4
553.35669	0.2
731.43085	0.1
757.41296	0.2
793.43665	0.1
937.47937	1.3
938.48212	0.2
951.64996	0.1
955.49231	0.2
1117.54187	100.0
1118.54407	20.1
1119.51868	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.2
83.01380	2.7
83.02122	0.1
84.02162	0.1
84.42479	0.1
85.02944	6.7
86.00093	0.7
86.03279	0.1
87.00871	3.7
89.02438	8.7
90.02740	0.1
93.03452	0.2
95.01381	4.9
95.05038	0.1
96.01694	0.1
96.96034	0.1
96.99311	0.3
97.02944	1.2
97.03564	0.1
97.06595	0.2
99.00871	2.3
101.02437	12.0
102.02768	0.1
109.02956	0.3
111.00856	0.5
112.01660	0.9
113.02443	11.6
114.02785	0.2
115.03987	0.1
119.03490	3.0
121.02946	0.1
121.06550	0.0
123.04497	0.1
125.02460	0.5
127.04034	0.1
129.01929	0.3
131.03496	4.6
132.03836	0.1
137.02414	0.3
137.09738	0.3
139.00365	1.1
141.01974	0.1
143.03494	1.3
149.02509	0.1
149.04568	0.3
149.10928	0.0
151.11288	0.5
155.03459	0.1
157.01425	0.8
158.98064	0.1
159.02977	0.9
161.04544	6.7
162.04892	0.2
179.05592	2.1
189.12872	0.1
191.14423	0.1
203.14348	0.0
205.03531	0.2
205.15871	0.3
213.07381	0.0
221.06639	7.5
222.06966	0.2
231.17545	0.1
249.06107	0.1
263.07678	0.5
275.07709	0.1
301.05624	0.1
319.06442	0.1
340.37170	0.1
345.21872	0.1
371.23904	0.2
373.25323	0.3
375.26950	0.1
389.23996	0.1
389.28589	0.8
390.29016	0.2
391.30121	0.1
403.30081	0.1
405.31744	1.9
406.32193	0.2
407.29272	0.1
407.33652	0.1
409.30841	0.1
421.31116	0.8
422.31625	0.1
423.32697	0.9
424.33228	0.1
425.34164	0.3
428.63992	0.1
435.29019	0.1
437.30219	0.1
451.32379	0.1
453.33704	5.9
454.34125	0.6
455.35370	0.4
467.31656	0.1
473.36343	0.2
499.34341	0.3
503.90738	0.1
513.18604	0.1
523.37744	0.3
524.38263	0.1
551.37360	0.4
553.35327	0.2
579.26868	0.1
640.36157	0.1
731.43359	0.1
757.41699	0.2
775.42719	0.1
793.43732	0.2
937.47760	1.2
938.48090	0.2
955.47992	0.3
1073.51697	0.1
1117.54163	100.0
1118.54395	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	1117.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.1
83.00903	0.2
83.01381	2.6
84.02153	0.2
85.02943	6.3
86.00092	0.5
87.00869	3.3
89.02437	8.4
90.02773	0.1
93.03423	0.2
95.01376	4.5
96.99306	0.2
97.02943	0.9
99.00874	2.1
101.02435	10.5
102.02751	0.2
109.02917	0.3
111.00879	0.6
112.01682	0.7
113.02439	10.3
114.02774	0.3
116.53873	0.1
119.02635	0.2
119.03491	3.1
125.02449	0.6
129.01909	0.3
131.03488	4.5
137.02408	0.4
139.00369	0.8
141.01886	0.1
143.03493	1.0
149.04480	0.2
151.11269	1.9
151.85364	0.1
157.01392	0.7
159.02969	1.0
161.04539	6.2
162.04848	0.1
179.05597	2.2
188.68495	0.1
190.77974	0.1
205.03510	0.1
221.06636	7.3
222.06981	0.2
232.67593	0.1
263.07523	0.5
301.05447	0.2
387.26791	0.1
391.26398	0.1
405.27579	0.1
407.29718	0.5
409.30969	0.1
421.31024	0.7
423.32635	8.2
424.33041	0.8
425.34198	4.4
426.34482	0.4
437.30347	0.2
439.31982	0.2
453.33725	2.1
453.39346	0.1
454.34109	0.2
455.35516	0.2
469.33032	0.1
472.36652	0.1
473.36279	0.2
493.36908	0.3
499.33893	0.2
521.36700	0.4
523.33990	0.1
539.37292	0.2
542.79614	0.1
578.42200	0.1
655.94849	0.1
731.43341	0.2
757.40576	0.2
763.42535	0.2
907.46649	0.2
925.48132	0.2
937.47565	0.9
938.48438	0.1
955.49377	0.2
1087.53040	3.5
1088.52417	0.7
1117.54187	100.0
1118.54419	21.7
1119.54773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.2
83.01379	2.5
83.01883	0.1
84.02175	0.2
85.02946	6.8
86.00101	0.5
87.00323	0.1
87.00871	3.6
89.02438	8.5
89.19037	0.1
90.02711	0.1
93.03459	0.2
93.33824	0.1
95.01380	4.5
96.01725	0.1
96.99298	0.3
97.02939	0.9
99.00874	2.2
99.04463	0.1
101.02435	11.3
102.02790	0.2
103.04018	0.1
109.02950	0.4
111.00880	0.6
112.01662	0.8
113.02441	11.4
114.02768	0.1
119.03495	2.9
124.18636	0.2
125.02455	0.4
129.01917	0.3
131.03496	4.3
132.03825	0.1
135.08171	0.1
137.02505	0.3
137.03355	0.1
137.09639	0.1
139.00356	1.0
141.01944	0.1
143.03477	1.1
149.04523	0.3
151.11269	2.1
152.11520	0.1
155.03502	0.1
157.01411	0.7
159.02971	0.8
161.04543	7.0
162.04808	0.1
175.08452	0.1
179.05583	2.3
205.03482	0.1
212.89717	0.1
215.14328	0.1
221.06642	7.6
222.06886	0.3
241.83348	0.1
263.07626	0.4
283.06430	0.1
301.05499	0.1
303.02441	0.1
389.28738	0.1
391.30560	0.1
393.28006	0.1
405.27884	0.2
407.29477	0.6
409.30710	0.3
421.25958	0.1
421.31064	0.9
422.31387	0.1
423.32648	8.9
424.33029	0.9
425.34207	4.5
426.34476	0.4
437.30444	0.2
439.32053	0.3
453.33734	2.4
454.33984	0.3
455.35843	0.3
469.33008	0.1
473.36072	0.1
493.36792	0.2
499.34064	0.2
500.35001	0.1
503.34726	0.1
521.36371	0.4
523.34778	0.2
539.37311	0.2
551.37762	0.1
553.35138	0.1
583.36285	0.1
731.43848	0.2
757.42249	0.2
763.42395	0.2
764.41656	0.1
793.43188	0.1
907.46967	0.2
925.49451	0.1
937.48083	0.9
938.48694	0.2
955.50055	0.1
957.50690	0.1
1055.55139	0.1
1087.53186	3.3
1088.52954	0.6
1117.54175	100.0
1118.54407	21.9
1119.54663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	2.9
85.02946	6.4
85.06561	0.3
86.00090	0.6
87.00329	0.2
87.00867	3.7
89.02439	8.4
95.01382	4.0
96.95992	0.6
96.99291	0.3
97.02942	0.8
99.00871	2.5
99.04510	0.2
101.02436	10.5
109.02946	0.3
111.00875	0.7
112.01646	0.5
113.02441	11.0
119.03497	2.9
123.00935	0.2
125.02427	0.7
129.01918	0.5
131.03496	4.0
133.99338	0.2
137.02460	0.8
137.46532	0.2
139.00334	1.2
143.03491	1.1
149.04541	0.3
150.03183	0.2
157.01396	0.8
159.02959	0.9
161.04543	5.9
161.05875	0.3
163.11252	0.2
166.66704	0.2
179.05595	1.9
204.11568	0.2
206.13036	0.2
221.06639	6.8
232.25868	0.2
257.28958	0.2
263.07697	0.4
325.21658	0.6
327.23221	0.3
407.33218	0.3
419.29727	0.4
421.31204	0.2
437.30325	1.3
439.31955	0.9
455.31378	4.4
456.31830	0.5
457.33237	1.5
473.81674	0.2
501.32343	0.4
525.35834	0.4
553.35492	0.3
555.33405	0.3
939.45917	0.9
945.38837	0.3
957.47845	0.3
1119.52502	100.0
1120.52625	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
77.53703	0.2
78.39075	0.2
83.01385	2.2
85.02943	6.3
86.00088	0.6
87.00877	3.4
89.02441	7.6
95.01385	4.2
96.01739	0.2
96.96010	0.7
96.99299	0.3
97.02948	0.8
98.19841	0.4
99.00876	2.4
101.02438	10.2
109.02963	0.4
111.00847	1.0
111.08176	0.2
112.01656	0.5
113.02448	10.7
114.02805	0.2
119.03503	2.4
125.02445	0.7
129.01950	0.3
131.03493	4.1
137.02432	0.6
139.00345	1.0
139.07655	0.4
143.03474	1.0
149.04572	0.2
157.01392	0.6
159.02972	0.7
161.04543	5.7
165.05536	0.2
179.05595	2.5
205.03413	0.2
206.12993	0.9
221.06641	7.0
221.08769	0.4
229.34282	0.2
262.95483	0.2
263.07645	0.5
309.08200	0.5
325.21667	0.6
379.95456	0.2
407.33176	0.3
409.31415	0.3
425.30341	1.0
437.30649	0.8
439.32056	0.5
455.31189	0.6
455.35721	0.6
457.33865	1.2
501.32489	0.5
939.46619	0.6
957.48260	0.3
1101.46448	0.3
1103.53040	0.4
1104.52649	0.2
1105.53992	0.4
1119.52893	100.0
1120.52795	14.2
1134.53857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.5
83.01379	2.3
85.02947	6.1
86.00088	0.6
87.00865	3.8
89.02438	8.4
95.01375	4.4
96.95992	1.5
97.02924	1.3
99.00881	3.2
101.02431	10.7
102.02758	0.5
112.01666	0.6
113.02438	10.8
119.03502	2.9
121.02927	0.6
125.02412	1.0
131.03508	4.0
137.02394	0.5
139.00392	0.9
143.03462	1.2
149.02383	0.8
150.03186	1.4
157.01378	0.6
159.03001	1.0
161.04547	6.4
165.05551	1.2
179.05576	1.5
195.06616	1.7
204.11493	1.2
205.12054	0.6
206.13081	0.9
221.06602	6.6
285.00354	0.7
297.97519	2.1
312.99823	5.6
314.00308	0.7
328.02216	6.0
329.02505	0.9
343.04523	6.9
343.11819	1.6
344.04871	1.2
345.69470	0.5
391.13739	1.0
393.27805	1.2
395.29608	1.0
409.31003	1.3
411.32446	0.6
423.00314	4.5
437.30316	2.6
439.32028	1.8
455.31360	2.6
457.33109	1.2
525.35828	0.5
535.18311	0.7
553.34741	0.5
644.89270	0.5
758.14203	0.5
939.45087	0.6
1118.55481	2.7
1119.52393	100.0
1120.52502	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	1119.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.5
83.01379	2.3
85.02947	6.1
86.00088	0.6
87.00865	3.8
89.02438	8.4
95.01375	4.4
96.95992	1.5
97.02924	1.3
99.00881	3.2
101.02431	10.7
102.02758	0.5
112.01666	0.6
113.02438	10.8
119.03502	2.9
121.02927	0.6
125.02412	1.0
131.03508	4.0
137.02394	0.5
139.00392	0.9
143.03462	1.2
149.02383	0.8
150.03186	1.4
157.01378	0.6
159.03001	1.0
161.04547	6.4
165.05551	1.2
179.05576	1.5
195.06616	1.7
204.11493	1.2
205.12054	0.6
206.13081	0.9
221.06602	6.6
285.00354	0.7
297.97519	2.1
312.99823	5.6
314.00308	0.7
328.02216	6.0
329.02505	0.9
343.04523	6.9
343.11819	1.6
344.04871	1.2
345.69470	0.5
391.13739	1.0
393.27805	1.2
395.29608	1.0
409.31003	1.3
411.32446	0.6
423.00314	4.5
437.30316	2.6
439.32028	1.8
455.31360	2.6
457.33109	1.2
525.35828	0.5
535.18311	0.7
553.34741	0.5
644.89270	0.5
758.14203	0.5
939.45087	0.6
1118.55481	2.7
1119.52393	100.0
1120.52502	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	1119.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	2.5
85.02949	6.4
86.00075	0.4
87.00870	4.1
89.02444	7.4
93.03426	0.3
95.01385	4.7
95.05023	1.1
96.96002	0.7
96.99281	0.4
97.02960	0.8
98.19891	0.5
99.00880	2.0
101.02438	10.6
102.02789	0.5
109.02980	0.5
111.00861	0.8
111.08165	3.2
112.01674	0.5
113.02450	10.4
114.02784	0.3
119.03509	3.2
125.02433	0.7
126.26046	0.3
129.01990	0.3
131.03476	3.9
136.87698	0.3
137.02408	0.6
139.00357	0.8
143.03477	1.0
157.01437	0.6
159.02963	0.7
161.04553	6.4
161.05876	0.5
163.07552	0.3
163.79089	0.3
179.05551	1.4
211.58081	0.3
221.06673	5.9
246.94199	0.3
263.07703	0.5
300.99969	0.3
343.22745	0.9
345.24402	0.8
413.34283	0.5
455.31598	3.6
457.33228	2.0
519.54572	0.3
939.46967	1.3
1059.53699	2.3
1068.96777	0.3
1083.50891	1.0
1118.55237	3.1
1119.52576	100.0
1120.52515	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	1119.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	2.8
85.02946	7.4
86.00092	0.6
87.00870	3.3
89.02441	8.4
93.03465	0.2
95.01389	4.4
96.96019	0.3
96.99311	0.4
97.02956	0.8
99.00878	2.6
101.02441	11.5
109.02925	0.4
111.00871	0.5
112.01673	0.7
113.02445	11.8
114.02787	0.2
119.03495	2.8
125.02442	0.5
125.09707	0.4
129.01926	0.3
131.03499	4.2
137.02443	0.5
139.00366	1.1
143.03506	0.9
149.04617	0.2
150.03104	0.2
154.22485	0.2
157.01418	0.7
159.02950	1.0
161.04546	6.1
177.12903	0.2
179.05591	1.9
195.69926	0.2
197.25095	0.1
203.14357	0.1
221.06650	6.9
249.18546	0.2
257.06790	0.1
263.07590	0.3
269.98077	0.3
285.00403	0.5
297.97473	1.6
298.97931	0.4
299.97736	0.1
300.99789	0.1
312.99866	4.2
313.03558	0.2
314.00256	1.0
315.00412	0.5
319.06668	0.1
319.84674	0.2
328.02206	4.4
329.02631	1.0
329.06000	0.2
330.02817	0.8
331.02945	0.2
343.00403	0.3
343.04568	5.8
344.04901	1.5
345.05151	0.8
346.05539	0.2
369.36438	0.2
389.24902	0.2
391.26349	0.5
395.29565	0.2
407.25867	0.2
409.27524	0.4
411.25262	0.3
419.29459	0.3
421.31375	1.0
422.28152	0.3
423.00232	2.9
423.28973	1.2
424.00540	0.7
424.25980	0.4
425.00195	0.8
425.26703	0.3
426.00653	0.3
426.27740	3.6
437.30734	0.4
439.32672	1.0
441.30090	1.7
455.31613	0.6
457.33267	2.6
458.33401	0.3
494.30469	0.2
525.35858	0.2
553.35760	0.3
555.33319	0.2
660.44800	0.2
714.14325	0.2
733.41357	0.3
759.40936	0.1
939.45557	1.0
957.47913	0.4
1119.52295	100.0
1120.52393	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	1119.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	2.3
84.02197	0.1
85.02943	5.8
86.00089	0.6
87.00870	3.3
89.02435	8.1
93.03440	0.2
95.01381	4.4
96.99316	0.3
97.02944	0.9
98.19921	0.2
99.00877	2.1
101.02438	10.5
109.02938	0.2
111.00882	0.6
112.01669	0.7
113.02441	11.1
114.02745	0.1
119.03493	2.7
121.02895	0.1
125.02440	0.5
129.01903	0.3
131.03494	4.3
137.02419	0.3
137.09703	0.2
139.00354	0.9
143.03482	1.1
149.04527	0.3
151.11302	0.1
157.01392	0.5
159.02989	0.8
161.04536	6.3
162.04904	0.1
175.18098	0.1
179.05598	1.8
205.03479	0.1
221.06639	7.2
222.06903	0.2
239.85159	0.1
263.07715	0.4
349.73227	0.1
385.46204	0.1
391.30075	0.7
405.31870	0.2
407.33234	1.5
408.33408	0.1
423.32770	0.2
425.34183	0.1
437.34210	1.6
455.35272	4.3
456.35580	0.4
457.36752	0.4
501.35770	0.2
515.55475	0.1
525.39386	0.5
553.39038	0.3
555.36841	0.2
715.27124	0.1
733.44977	0.2
759.43683	0.1
795.45831	0.2
939.49371	1.0
957.52295	0.2
1119.55774	100.0
1120.55957	19.2
1140.88269	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.558
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	2.6
85.02946	5.0
86.00086	0.4
87.00860	2.4
89.02437	7.4
93.03437	0.4
93.48293	0.3
95.01382	5.4
96.96013	0.9
96.99283	0.4
97.02943	0.9
99.00861	2.1
101.02435	9.6
111.00869	0.6
112.01643	0.6
113.02442	9.6
119.03502	3.0
125.02490	0.6
129.01930	0.3
131.03500	3.5
137.02432	0.4
139.00381	0.8
143.03471	1.1
149.04547	0.5
157.01401	0.6
159.02925	0.6
161.04546	6.0
168.49352	0.3
179.05609	1.3
217.76694	0.3
221.06641	6.1
263.07599	0.5
398.97958	0.4
455.35251	7.2
456.35724	0.4
553.39172	0.3
934.45099	0.3
939.49805	1.1
964.77185	0.3
1057.52173	0.4
1119.55847	100.0
1120.55859	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
79.94237	0.1
81.03446	0.3
83.01382	2.1
84.02154	0.1
85.02944	5.6
86.00093	0.5
87.00871	2.8
89.02440	7.4
93.03441	0.2
95.01381	4.8
96.99298	0.3
97.02943	0.8
99.00253	0.1
99.00873	1.9
101.02438	9.5
102.02787	0.1
103.03980	0.1
107.53020	0.1
109.02934	0.4
111.00879	0.5
112.01665	0.7
113.02445	9.6
114.02742	0.1
115.03999	0.1
115.64805	0.1
119.03496	2.6
125.02477	0.4
129.01945	0.4
131.03494	3.7
137.02446	0.3
139.00381	1.2
139.03928	0.1
143.03482	0.9
149.04517	0.4
155.03491	0.1
157.01422	0.8
159.02960	0.6
161.04546	6.3
162.04869	0.1
164.74594	0.1
179.05583	2.0
182.44603	0.1
200.43929	0.1
205.03581	0.1
221.06650	7.3
222.06958	0.1
239.14340	0.1
263.07639	0.3
279.07339	0.1
301.05658	0.1
391.26389	0.1
402.11768	0.1
405.27850	0.4
407.29468	1.3
408.30054	0.1
409.49179	0.1
421.31088	5.2
422.31464	0.4
423.32651	8.3
424.32971	0.6
441.34601	0.1
445.53818	0.1
447.13300	0.2
467.31467	0.3
491.35193	0.3
519.35168	0.5
520.35022	0.1
521.32666	0.2
537.36005	0.2
743.40582	0.1
761.41266	0.2
905.44806	0.6
906.46021	0.1
923.46167	0.2
1070.48596	0.1
1083.49353	0.2
1085.51587	100.0
1086.51965	14.6
1121.54309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.536
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	2.8
85.02945	6.9
85.03460	0.4
86.00088	0.5
87.00869	3.5
89.02440	8.3
93.03445	0.2
95.01381	4.3
95.05022	0.3
96.96001	0.5
96.99275	0.3
97.02965	0.8
97.06543	0.3
99.00874	2.5
101.02441	11.3
109.02950	0.5
109.06573	0.3
111.00880	0.5
112.01647	0.7
113.02445	11.6
114.02774	0.2
119.03489	2.9
123.08091	0.2
125.02431	0.8
125.09750	1.5
126.78056	0.2
129.01900	0.4
131.03490	3.7
137.02443	0.5
137.09756	0.2
139.00414	1.1
143.03497	1.1
149.04518	0.3
150.03151	0.2
153.21886	0.2
157.01382	0.5
159.03026	0.8
161.02394	0.3
161.04553	6.2
162.04926	0.2
165.01865	0.2
165.05450	0.2
179.05608	1.7
195.06543	0.2
221.06641	6.5
222.06966	0.3
249.06062	0.2
263.07611	0.5
289.07086	0.2
297.97491	0.4
300.99283	0.2
312.99869	1.3
328.02274	1.1
329.02887	0.2
331.22476	0.2
343.04663	1.2
423.00137	1.1
439.32184	0.9
441.33899	0.9
457.33215	3.4
458.32919	0.3
459.34839	1.4
527.37903	0.3
555.36908	0.2
655.31152	0.2
761.42188	0.2
941.47949	1.2
942.49207	0.2
1121.53784	100.0
1122.54028	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	1121.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03497	0.2
83.01375	2.1
85.02946	5.9
86.00085	0.5
86.46979	0.1
87.00871	2.4
89.02436	6.0
93.03447	0.2
95.01382	5.3
96.96004	0.4
96.99312	0.3
97.02930	0.8
97.06557	0.3
98.00085	0.8
99.00880	3.1
101.02436	7.4
109.02957	0.5
110.00126	0.2
111.00868	0.8
112.01663	1.7
113.02441	9.4
113.09714	0.2
114.02762	0.2
119.03487	1.9
125.02431	0.6
129.01939	0.3
131.03496	3.2
137.02455	0.4
139.00372	1.4
143.03499	0.7
149.04620	0.2
157.01395	0.5
159.02992	0.6
161.04536	4.7
168.71178	0.1
179.05542	1.3
221.06644	4.7
222.06966	0.2
263.07681	0.4
276.69699	0.1
299.23853	0.2
381.27859	0.2
395.33255	0.2
411.32590	0.2
413.34201	3.0
414.34552	0.3
415.35739	4.6
416.36194	0.4
441.33572	0.3
457.33069	2.5
458.33972	0.3
459.34784	4.6
460.35025	0.4
482.46606	0.2
497.36099	0.4
509.35947	0.2
527.37592	0.3
537.35773	0.3
541.35315	2.9
542.36304	0.3
553.35339	0.5
555.36932	1.8
556.37427	0.2
571.94476	0.2
573.37897	0.6
597.38214	0.2
599.35840	0.3
617.37219	0.3
717.42511	0.2
735.43243	0.6
736.42474	0.2
779.42981	0.2
797.42450	0.2
941.47552	0.7
942.48853	0.2
959.47522	0.2
1121.53662	100.0
1122.53931	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	1121.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03449	0.2
83.01384	2.6
85.02947	6.9
86.00086	0.6
87.00326	0.1
87.00873	3.8
89.02440	9.1
93.03448	0.2
95.01381	4.6
96.96008	0.3
96.99309	0.3
97.02936	0.9
98.19935	0.3
99.00879	2.4
101.02439	11.7
102.02795	0.1
104.00913	0.1
107.01412	0.1
109.02941	0.3
111.00882	0.6
112.01660	0.6
113.02445	11.5
114.02808	0.1
119.03498	3.0
125.02441	0.5
129.00998	0.1
129.01950	0.4
131.03493	4.6
137.02419	0.5
137.09686	0.3
139.00386	0.9
143.03488	1.3
149.04538	0.3
151.00429	0.2
151.03998	0.1
153.01997	0.1
157.01434	0.6
159.02985	0.8
159.04178	0.2
161.04549	6.9
162.04865	0.1
169.10239	0.2
179.05585	2.0
191.14172	0.1
200.83537	0.1
221.06647	7.0
222.06949	0.2
243.96796	0.1
246.53362	0.1
255.03101	0.1
263.07715	0.4
271.02463	0.3
285.04031	0.1
291.12805	0.1
300.02585	0.6
301.00024	0.2
301.03253	0.3
336.73441	0.1
373.25339	0.6
375.26761	0.2
389.15909	0.1
389.24445	0.2
389.28516	1.0
391.30112	0.6
405.28052	1.0
407.29681	0.6
409.30966	0.2
419.29749	0.2
421.23776	0.1
421.31027	0.9
422.31754	0.1
425.30609	0.3
433.07687	0.2
435.28970	0.2
437.30573	0.7
439.32217	0.3
441.33377	0.2
455.31696	0.3
457.33160	3.5
457.39612	0.2
458.33505	0.3
459.34720	0.7
466.42535	0.1
527.37445	0.3
555.37079	0.4
557.34967	0.1
609.14551	0.1
797.43878	0.1
941.47314	1.1
959.50433	0.3
1121.53711	100.0
1122.53931	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	1121.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	0.2
83.01382	2.6
85.02943	7.3
86.00076	0.4
86.42929	0.1
87.00866	3.6
87.27895	0.2
88.98795	0.2
89.02439	8.6
93.03451	0.3
94.36761	0.1
95.01378	3.9
95.14758	0.1
96.96004	1.0
97.02948	1.0
97.06576	0.2
99.00866	2.1
101.02435	11.2
109.02939	0.4
109.06581	0.2
111.00867	0.7
111.04530	0.2
112.01664	0.7
113.02442	12.2
113.23914	0.1
114.02735	0.2
119.03488	2.7
121.02880	0.1
125.02450	0.7
125.09698	0.6
129.01933	0.3
131.02519	0.3
131.03493	4.4
132.03818	0.2
136.01608	0.2
137.02420	0.7
139.00381	1.0
143.03479	1.1
145.02904	0.2
149.02492	0.2
149.04506	0.3
150.03177	0.2
151.03952	0.2
151.11235	0.6
157.01382	0.7
159.02991	0.9
161.03236	0.3
161.04544	6.0
163.03995	0.3
165.01888	0.3
165.05547	0.2
166.02608	0.2
178.08588	0.1
179.05589	2.1
181.84680	0.2
191.14272	0.2
192.35814	0.1
194.01100	0.2
195.06621	0.4
205.03441	0.2
221.06647	8.0
255.02950	0.2
263.07666	0.4
285.04050	0.7
300.99969	0.3
301.21671	0.2
313.21689	0.3
315.23148	0.2
374.94257	0.2
419.29135	0.2
421.31085	1.6
422.31143	0.2
423.32736	0.9
437.30371	0.3
439.32108	5.7
440.32510	0.4
441.33685	2.0
442.34064	0.3
457.33105	0.6
459.34683	0.9
527.37262	0.2
555.36438	0.4
557.34735	0.2
923.36072	0.2
941.47260	1.1
959.50415	0.2
1103.49475	0.2
1121.53699	100.0
1122.53992	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	1127.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.2
83.01379	3.1
85.02941	7.1
85.03458	0.3
86.00077	0.5
87.00864	3.1
89.02437	6.7
95.01379	5.2
96.96001	0.8
96.99297	0.4
97.02937	1.1
99.00866	2.1
101.02431	10.0
109.02957	0.4
111.00849	0.6
112.01679	0.9
113.02440	11.5
119.03483	2.4
123.04496	0.2
125.02402	0.6
129.01949	0.3
131.03488	4.0
137.02402	0.4
139.00363	1.4
139.91681	0.1
143.03471	1.4
145.88335	0.2
149.04526	0.2
152.41408	0.1
157.01361	0.6
159.02969	0.8
161.03236	0.4
161.04543	5.8
162.04813	0.1
179.05609	1.9
205.03404	0.2
221.06636	6.3
250.91318	0.2
263.07590	0.5
301.47705	0.2
315.31210	0.2
365.96054	0.2
391.26218	0.3
405.27701	0.3
407.29422	1.4
421.31100	6.4
422.31482	0.6
423.32645	9.1
424.32941	0.8
467.31476	0.3
491.35220	0.3
519.34674	0.5
521.32507	0.2
597.30859	0.2
699.41333	0.3
767.40204	0.3
775.24738	0.2
905.45313	1.7
906.46631	0.3
923.46930	0.3
930.60858	0.2
965.46674	0.3
984.60046	0.2
1023.52106	0.2
1067.50464	1.3
1085.52197	1.3
1086.52332	0.3
1089.54956	0.8
1127.52673	100.0
1128.52808	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	1129.5424
Annotation	Aescin
Peak:m/z	Relative Intensity
80.04473	0.2
83.01380	3.1
85.02944	6.9
86.00094	0.4
87.00871	3.4
89.02437	7.0
95.01385	5.0
95.01995	0.3
96.95988	0.7
96.99318	0.3
97.02912	1.0
97.06579	0.4
97.19014	0.2
99.00869	2.3
101.02435	10.5
102.02794	0.2
109.02940	0.2
111.00856	0.6
112.01652	0.9
113.02442	11.7
116.92845	0.2
119.03498	2.5
125.02409	0.9
129.01891	0.4
131.03494	3.7
137.02441	0.3
139.00352	0.9
140.37201	0.2
143.03485	1.1
149.04538	0.2
151.11266	0.3
157.01425	0.9
159.02998	0.6
161.04535	5.4
179.05574	1.6
220.71101	0.2
221.06619	5.9
255.17603	0.2
263.07611	0.4
269.18924	0.2
274.78696	0.2
306.68771	0.3
387.27145	0.4
389.28534	1.1
391.26175	0.2
407.29474	0.8
421.31427	0.4
423.32654	7.8
424.32913	0.6
425.34128	1.1
443.35349	0.4
469.33224	0.2
493.36633	0.3
521.36243	0.3
523.34515	0.2
701.42126	0.2
777.30524	0.2
907.47168	2.0
1069.52856	1.0
1087.53076	1.1
1129.54236	100.0
1130.54431	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	1131.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
78.90359	0.1
83.00912	0.2
83.01382	2.3
84.02158	0.2
85.02945	7.8
86.00092	0.5
87.00870	3.1
87.01375	0.2
89.02438	6.1
93.03410	0.1
95.01382	4.2
96.96001	0.3
96.99284	0.4
97.02927	0.9
98.20638	0.3
99.00875	2.2
101.02437	9.0
109.02930	0.3
111.00881	0.7
111.67611	0.1
112.01662	1.0
113.02443	11.2
114.02749	0.2
119.03497	2.0
121.02960	0.1
125.02431	0.4
126.57892	0.1
129.01926	0.3
131.03497	4.2
137.02432	0.3
139.00368	0.8
141.19856	0.1
143.03496	0.8
149.04543	0.2
157.01379	0.6
159.02951	0.8
161.04543	5.5
171.14435	0.1
179.05611	1.5
193.85158	0.1
209.11798	0.2
221.06650	5.2
222.06927	0.2
263.07684	0.3
384.28717	0.2
389.28476	0.2
405.27829	0.4
407.29376	1.0
409.31146	1.6
410.31665	0.1
421.26981	0.1
437.30579	2.7
438.30865	0.2
439.32123	1.7
440.32675	0.2
443.66614	0.1
451.28232	0.2
455.31674	0.2
479.31793	0.1
497.32736	3.5
498.33179	0.2
499.34366	0.7
567.36908	0.5
595.36285	0.4
597.34052	0.2
611.35394	0.1
647.98547	0.1
801.40424	0.3
951.45569	1.0
952.46179	0.1
1131.52148	100.0
1132.52344	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	1131.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.2
82.06944	0.1
83.01382	2.8
85.02945	7.6
86.00086	0.3
86.03278	0.1
87.00870	2.1
89.02439	7.5
93.03450	0.2
95.01383	4.6
95.02000	0.2
96.95998	0.4
96.99301	0.4
97.02964	0.7
98.19837	0.2
99.00879	2.2
101.02440	8.0
109.02924	0.3
111.00876	0.5
112.01650	0.8
113.02446	9.4
114.02734	0.2
119.03510	0.9
124.01694	0.1
125.02443	0.4
129.01944	0.1
131.03500	8.5
132.03830	0.1
135.45602	0.1
137.02423	0.4
139.00359	1.2
143.03479	0.2
149.04549	1.5
157.01445	0.6
157.02518	0.1
161.04565	0.7
163.02881	0.1
165.05476	0.1
182.38792	0.1
187.70145	0.1
191.05591	6.0
192.05956	0.2
233.06635	0.5
251.14197	0.1
280.50366	0.1
301.05518	0.2
312.99847	0.2
329.14215	0.1
343.04584	0.2
343.66129	0.1
373.25897	0.2
390.10025	0.1
405.27817	0.4
407.29599	1.3
409.31076	1.8
410.31488	0.2
419.29984	0.2
421.27032	0.2
437.30600	2.8
438.30963	0.4
439.32135	1.9
440.32413	0.2
451.28589	0.2
455.31546	0.2
495.31403	0.2
497.32712	3.6
498.33038	0.4
499.34192	0.8
553.35144	0.2
567.37024	0.2
595.36169	0.3
597.34235	0.2
619.86310	0.1
801.40637	0.3
951.45654	1.7
952.45648	0.2
999.47644	0.3
1126.63635	0.1
1131.52173	100.0
1132.52417	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	1133.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	2.6
85.02945	5.7
86.00085	0.5
87.00871	3.3
89.02438	7.0
93.03455	0.4
95.01380	3.7
96.95998	0.7
96.99306	0.3
97.02970	0.8
99.00879	2.0
101.02436	10.2
108.02158	0.2
109.02950	0.6
111.00908	0.8
112.01656	0.6
113.02442	9.7
114.02776	0.2
119.03491	2.4
120.99629	1.0
121.02949	0.5
122.03714	0.7
123.00853	0.1
123.04537	0.2
125.02439	0.8
129.01961	0.4
131.03491	4.0
133.02992	0.2
134.03729	0.3
136.01639	0.5
137.02426	1.1
137.09695	0.2
139.00365	1.0
143.03502	0.9
149.02446	1.7
149.04524	0.3
149.06032	0.4
150.03221	4.0
151.00356	0.5
151.04021	0.8
157.01367	0.6
159.02998	0.7
159.04173	0.2
161.02425	0.3
161.04549	6.2
164.04796	0.3
165.01880	0.3
165.05565	3.7
166.02675	0.7
167.03404	0.3
179.03468	0.2
179.03967	0.2
179.05592	2.0
179.06996	0.2
180.04251	0.3
181.05070	0.6
193.04987	0.1
195.06584	1.1
220.07349	0.2
221.06645	6.7
222.06993	0.3
255.03018	0.2
263.07745	0.3
271.02487	0.2
271.10861	0.2
289.07111	0.3
300.02533	0.2
336.06680	0.1
385.13037	0.3
393.27954	0.2
395.29721	0.2
405.28046	0.2
407.29645	0.3
409.31290	1.1
411.32681	0.6
417.15482	0.2
423.28979	0.3
425.30740	0.2
435.10992	0.2
437.30466	0.7
439.32114	6.2
440.32327	0.6
441.33649	2.8
442.33826	0.3
453.30069	0.2
469.33228	1.3
471.35065	0.3
495.16394	0.2
509.36984	0.2
535.17145	0.2
537.35645	0.3
550.18317	0.2
565.20764	0.8
613.22607	1.0
631.69342	0.2
713.26166	0.5
743.27277	0.3
761.28314	2.3
762.28412	0.5
779.42053	0.3
791.29218	0.6
809.30157	4.4
810.30859	0.7
923.32751	0.2
941.47540	0.2
953.47736	1.1
954.48419	0.2
1103.52734	3.8
1104.52795	0.4
1133.53748	100.0
1134.53906	20.0
1135.54456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.3
83.01385	2.3
83.15734	0.1
84.02151	0.1
85.02948	6.0
86.00093	0.5
87.00872	3.5
89.02438	7.0
93.03448	0.3
95.01385	3.9
96.96016	0.6
96.99308	0.2
97.02965	0.9
97.06570	0.2
99.00865	2.1
99.04491	0.2
100.30239	0.1
101.02439	10.6
103.04008	0.2
109.02929	0.4
111.00884	0.7
112.01649	0.6
113.02445	10.3
114.02782	0.2
119.03498	2.8
121.02942	0.2
123.04507	0.2
125.02436	1.1
129.01927	0.2
131.03500	3.8
135.04457	0.2
137.02441	0.9
139.00357	1.0
143.03499	1.1
146.03755	0.1
147.04518	0.1
149.02432	0.3
149.04556	0.3
150.03218	0.6
151.03992	0.2
157.01424	0.4
159.02959	0.5
161.02414	0.3
161.04543	5.9
162.03143	0.2
164.01152	0.3
165.01886	0.6
165.05562	0.5
167.03490	0.2
173.06122	0.2
175.07571	0.2
179.05600	2.0
195.06557	0.3
203.07048	0.1
217.08659	0.2
221.06630	6.6
222.07050	0.2
229.08626	0.3
248.22136	0.1
263.07684	0.4
270.98746	0.4
289.07077	0.2
298.98392	0.9
299.01236	0.2
299.98926	0.2
314.00601	1.0
315.01181	0.1
319.06470	0.2
323.12900	0.2
329.02917	1.3
367.11920	0.5
375.26849	0.3
385.12915	0.5
389.28738	0.2
398.44943	0.1
405.27869	0.4
408.98740	1.0
409.98953	0.2
419.29660	0.2
421.31293	0.9
433.21146	0.2
437.30756	0.2
439.32651	0.2
441.33972	0.3
453.29910	0.3
469.33176	4.0
470.33511	0.4
471.35080	0.4
515.34058	0.2
519.19910	0.2
539.37537	0.4
542.10999	0.1
567.36584	0.3
569.34906	0.2
672.40442	0.2
747.28247	0.6
809.42834	0.2
953.47656	0.9
965.25024	0.2
971.47961	0.3
1088.47766	0.2
1133.53760	100.0
1134.53882	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	1135.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
79.74908	0.1
81.03442	0.1
83.01373	2.1
83.05063	0.1
83.77291	0.1
85.02943	7.4
86.00089	0.5
86.92854	0.1
87.00869	3.7
88.98788	0.1
89.02441	6.6
93.03450	0.3
95.01382	7.4
96.96002	0.6
97.02950	0.7
98.20576	0.1
99.00876	3.2
101.02440	9.2
103.00427	0.2
109.02953	0.4
111.00868	0.6
111.04498	0.2
112.01644	0.6
113.02444	15.4
114.02738	0.3
115.00366	0.4
119.03493	2.3
119.04935	0.2
121.02971	0.2
122.75110	0.2
125.02451	0.7
129.01921	0.4
131.03497	4.5
137.02432	0.7
139.00356	1.1
139.03995	0.2
143.03525	1.0
147.04529	0.2
149.02336	0.2
149.04561	0.2
150.03294	0.2
151.00398	0.1
151.03993	0.3
155.03537	0.2
157.01459	0.9
159.02994	0.9
161.04544	5.9
161.11905	0.1
179.05618	2.0
190.28015	0.1
191.03384	0.1
220.01561	0.2
221.06647	7.1
222.06999	0.3
249.06047	0.3
255.02837	0.2
257.76089	0.2
263.07697	0.3
274.75418	0.2
275.07660	0.6
285.04041	0.6
298.97882	0.2
397.27554	0.2
439.28409	0.3
441.26321	0.4
442.27191	1.7
455.31705	0.5
457.29410	1.2
473.32669	3.9
474.33170	0.3
635.30511	0.1
695.81494	0.2
811.41937	0.2
955.45294	0.5
973.47992	0.2
1087.59827	0.2
1135.51733	100.0
1136.51965	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	1135.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	0.6
83.01385	2.7
85.02946	7.3
86.00078	0.3
87.00871	3.8
89.02442	7.8
91.16539	0.2
92.10947	0.3
93.03482	0.3
95.01378	4.3
96.95986	0.4
97.02939	0.7
97.06560	0.3
99.00864	2.3
101.02437	10.7
102.02808	0.3
109.02942	0.4
111.00847	0.5
112.01693	0.6
113.02445	10.2
119.03487	2.6
125.02448	0.8
131.03506	3.6
137.02487	0.4
139.00362	0.9
143.03491	1.4
149.04572	0.3
151.11249	0.7
157.01401	0.7
159.03000	1.1
161.04549	6.0
163.07590	0.4
179.05602	1.4
206.32234	0.3
209.11804	1.0
221.06638	6.9
270.98813	0.4
273.00583	0.5
274.01202	0.4
299.99094	0.8
300.99884	0.7
328.66714	0.3
389.28601	0.6
405.31665	1.8
421.31174	0.4
423.32590	0.9
437.29889	0.3
439.32187	1.1
441.33615	1.5
442.34668	0.3
465.83630	0.3
471.34912	2.3
473.36896	0.6
480.05069	0.3
571.36292	0.4
735.33215	0.3
955.49292	1.1
973.51257	0.6
1135.55322	100.0
1136.55457	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	1135.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95718	0.1
81.03457	0.1
83.00898	0.1
83.01383	2.0
84.02148	0.1
85.02943	6.1
86.00089	0.5
86.03251	0.1
87.00871	3.0
89.02438	6.9
90.02813	0.1
93.03465	0.2
95.01379	3.9
96.01714	0.1
96.96004	0.2
96.99298	0.3
97.02953	1.0
97.06561	0.1
99.00869	1.9
101.02436	10.2
102.02778	0.2
103.03995	0.1
109.02928	0.3
111.00881	0.6
112.01662	0.7
113.02443	10.3
114.02789	0.2
115.04024	0.2
119.03496	2.2
120.24229	0.1
123.04533	0.1
125.02441	0.5
129.01927	0.3
131.03497	3.8
132.03879	0.1
137.02429	0.3
137.09753	0.1
139.00356	0.9
143.03502	1.1
149.04538	0.2
150.03233	0.1
155.03491	0.1
157.01434	0.5
159.03008	0.9
161.04543	5.8
162.04845	0.1
179.03416	0.1
179.04013	0.1
179.05585	1.7
195.06567	0.1
205.03529	0.1
205.58783	0.1
209.87943	0.1
221.06633	6.5
222.06944	0.1
263.07697	0.3
301.05530	0.1
373.12762	0.1
376.66000	0.1
389.28760	0.1
391.26135	0.1
391.30417	0.1
405.27917	0.2
407.29529	0.6
421.31006	0.3
423.32709	1.5
424.32971	0.2
425.34171	0.2
439.32440	0.2
441.33719	0.3
443.35468	0.1
453.29080	0.1
453.33939	0.9
467.31592	0.2
469.33508	0.1
471.34784	3.5
472.35092	0.4
473.36322	0.5
485.32388	0.1
517.35364	0.2
541.38763	0.5
569.38477	0.3
570.38928	0.1
571.36743	0.2
749.44379	0.1
775.42749	0.2
811.45502	0.1
918.69312	0.1
925.34644	0.2
955.48657	1.1
956.48700	0.1
973.50989	0.2
1073.53894	0.1
1135.55212	100.0
1136.55420	16.1
1137.55286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	0.7
81.23491	0.3
83.01379	1.9
85.02948	5.6
87.00858	3.7
89.02441	6.8
93.03432	0.6
95.01379	3.7
96.45546	0.4
96.95990	1.3
97.02943	0.8
99.00872	2.3
101.02438	9.9
109.02966	0.9
111.00871	0.9
112.01656	0.6
113.02438	11.8
119.03488	2.4
125.02452	1.1
131.03484	3.8
137.02470	0.4
139.00386	1.0
143.03485	1.0
150.03159	0.5
151.11290	0.6
157.01399	0.7
159.02965	0.7
161.02467	0.4
161.04532	6.1
179.05612	1.6
221.06606	6.1
230.59254	0.3
245.00897	0.4
255.02742	0.4
257.00851	0.4
263.07645	0.5
270.98730	0.7
274.01074	1.1
275.01801	0.5
298.98172	0.8
299.99158	1.7
300.99918	1.8
343.11984	0.5
364.13058	0.4
375.94092	0.4
405.31903	0.9
423.32947	0.9
439.32321	0.5
441.33710	1.1
471.34714	1.9
479.04782	0.8
480.05630	1.4
487.16104	0.4
929.48584	0.6
955.31775	1.2
955.49548	1.1
956.32941	0.5
973.50214	0.5
1117.53052	0.9
1134.53662	1.1
1135.54919	100.0
1136.55200	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	1135.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03427	1.3
83.01376	3.5
85.02939	0.8
87.00845	0.8
89.02438	1.1
93.03452	1.2
95.01373	0.9
95.05035	0.8
95.54986	0.3
97.02959	2.1
98.99146	0.3
99.00887	0.3
101.02409	1.8
105.03540	0.3
107.05050	0.5
108.02157	0.5
109.02934	1.6
111.00864	0.4
113.02435	0.9
114.55774	0.2
119.03516	0.3
121.02927	1.9
122.03742	2.6
123.04535	1.5
124.01632	0.9
125.02440	11.8
135.04506	2.6
136.01677	0.3
136.05286	1.8
137.02440	10.1
138.03268	0.4
139.03995	0.5
141.68555	0.3
146.03682	0.7
147.04523	0.4
148.01598	0.3
148.05292	0.7
149.02412	1.1
149.06029	0.3
150.03198	2.0
151.03975	1.1
158.03740	0.3
159.04535	0.6
160.05281	0.4
161.02487	1.4
161.04562	0.3
161.06017	0.6
162.03207	1.1
162.06856	0.5
163.03958	0.8
164.01147	3.1
164.04813	0.9
165.01910	8.6
166.02539	0.3
167.03485	1.6
172.05328	0.8
173.02423	0.3
173.06041	0.8
174.03217	0.7
175.03920	1.3
175.07545	0.3
176.04770	0.4
177.01982	0.5
179.03487	2.3
183.04485	0.5
184.05273	0.3
187.03935	0.6
188.04817	0.6
189.05580	0.4
190.06274	0.4
190.68111	0.3
191.03476	0.4
197.06026	0.4
199.03958	0.4
200.04759	0.7
201.05508	0.8
202.06287	0.5
203.03613	0.5
204.04253	2.5
211.13377	1.2
212.04773	0.4
213.05550	1.2
214.06212	0.2
215.07027	0.7
216.07800	0.6
221.06674	0.5
224.04883	0.3
225.05730	0.4
226.06271	0.4
227.03450	0.4
228.04239	0.8
241.04974	0.4
243.06558	0.3
243.13947	0.4
244.07312	0.6
245.15323	0.4
255.23286	8.7
256.23492	0.4
257.15408	0.7
259.16943	1.2
269.04660	0.3
269.15424	0.5
270.05264	0.4
271.13376	0.5
271.16806	0.4
273.14963	5.2
283.13470	0.4
283.16501	0.3
285.14923	1.4
287.05655	1.3
287.16507	5.1
288.06323	0.7
288.16769	0.3
291.15897	0.6
297.14954	1.1
299.16443	0.5
301.14468	0.6
303.16116	0.3
305.17673	0.6
311.16470	0.3
313.14374	0.9
315.15976	8.3
316.16287	0.4
319.15598	0.5
325.14499	0.6
325.18030	0.9
327.15979	1.7
331.15402	0.5
333.17075	1.5
343.15427	1.8
343.19046	0.6
345.17175	0.4
351.15927	0.6
351.19870	0.4
352.16388	0.3
353.17435	0.6
355.15466	0.5
367.19150	3.1
369.16882	0.8
371.18661	0.4
377.17422	0.6
381.20529	0.4
385.20306	2.2
391.19241	0.7
395.18649	1.0
397.16653	0.5
409.20178	5.1
411.17804	0.4
413.19537	0.7
419.18640	0.6
427.21188	0.7
435.18011	0.3
437.19684	1.9
438.19791	0.3
453.19202	0.4
455.20477	0.4
463.17218	0.4
481.18781	1.1
542.34558	0.4
653.37256	0.3
847.50903	0.6
897.34265	0.8
951.53723	0.4
967.52594	0.8
997.53802	5.8
998.54230	1.2
1009.53931	1.2
1091.58679	1.3
1117.55859	3.2
1118.55481	0.7
1135.56824	100.0
1136.56958	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	1135.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34332	0.5
81.03444	2.9
83.01385	7.0
85.02942	1.5
87.00874	0.9
89.02426	2.2
93.03455	1.8
95.01384	1.2
95.04991	1.9
97.02938	3.4
98.20744	1.1
99.04504	1.4
101.02436	2.7
107.04977	0.7
109.02944	5.3
113.02418	1.3
120.02146	0.7
121.02966	3.7
122.03719	1.1
123.04491	1.9
124.01604	0.7
125.02441	36.0
130.04199	0.9
133.02888	0.7
135.04547	3.0
137.02437	28.1
138.03169	0.7
139.03946	0.9
145.02991	0.7
146.02606	0.8
146.03725	12.7
147.04494	1.8
149.02412	1.7
150.03206	1.0
151.03973	2.7
158.03755	0.6
159.04543	5.8
160.05247	2.4
161.02406	1.1
161.06052	1.8
162.03230	0.8
163.00357	0.6
163.03938	0.8
164.01146	8.3
165.01921	17.7
167.03487	10.2
172.05272	3.7
173.06143	2.7
174.03194	6.9
174.06821	1.8
175.03911	2.2
176.04710	1.3
177.01917	3.9
179.03491	5.9
183.04475	0.7
185.06058	1.2
186.06744	1.4
187.04036	3.5
187.05493	0.8
188.04790	5.1
189.05460	1.2
191.03394	0.6
196.05251	0.9
197.05974	0.9
199.03993	0.8
199.07561	1.2
200.04730	3.6
201.05461	1.8
202.06378	0.6
204.04173	3.5
209.06024	2.0
210.06755	1.0
211.03954	0.9
211.07466	0.8
212.04736	4.7
213.05515	0.8
214.06218	0.7
215.06866	0.5
221.06575	0.7
222.06683	0.6
224.04677	1.0
225.05582	3.6
225.12814	1.0
226.06262	1.8
226.10777	0.5
227.07127	0.7
237.05563	1.4
239.07227	0.6
241.12283	0.6
243.13818	1.5
244.07259	0.9
249.05629	0.8
251.07089	2.4
251.10658	0.5
252.07822	2.1
253.12531	0.6
255.13943	2.5
255.23271	12.9
265.08710	1.2
268.07358	1.7
269.11798	3.1
269.15167	0.8
270.08893	2.3
270.12289	1.1
271.13376	19.8
272.08670	0.6
272.13638	1.1
276.07874	0.7
278.05881	0.9
281.11420	0.6
283.13284	2.0
285.14883	2.2
287.12851	1.1
288.06293	1.1
289.14413	4.3
294.09036	4.3
295.13165	1.4
297.14944	2.6
299.12820	5.1
301.14404	2.0
307.13489	0.9
309.14880	1.9
313.14420	8.7
315.15921	1.1
317.13870	2.2
320.06873	1.2
325.14435	8.3
326.14856	0.7
331.15561	0.9
335.16357	2.5
337.14395	8.4
343.15500	4.5
351.16055	0.9
353.13818	0.9
353.17603	1.4
355.15338	1.6
359.16211	0.8
369.16858	1.0
377.17636	2.7
379.15451	2.4
392.52875	0.7
393.17038	2.2
394.17297	0.8
395.18628	4.7
401.17548	1.0
419.18652	9.2
420.18686	0.7
421.16501	0.9
437.19696	5.2
445.16394	1.8
463.17496	2.7
481.18552	0.7
757.42401	0.6
835.34393	1.3
879.32080	1.0
925.51764	0.6
967.52533	12.1
968.52954	2.4
979.52557	5.8
991.52667	9.2
992.53369	1.1
997.53876	9.2
998.53516	0.8
1031.56689	0.6
1033.53882	1.5
1049.56689	0.9
1073.56934	13.2
1074.56848	2.1
1091.57312	3.3
1099.54431	5.5
1100.53186	0.7
1117.55701	100.0
1118.55933	17.9
1135.56909	82.6
1136.57056	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	1135.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01884	0.4
81.03450	3.4
83.01389	7.6
85.02950	1.7
87.00866	1.4
89.02448	2.2
93.03440	1.8
95.01378	1.3
95.04998	1.9
96.95992	0.3
97.02946	3.3
99.00863	0.4
99.04507	1.7
101.02441	2.9
107.05016	1.3
108.02159	0.9
108.52582	0.3
109.02945	4.6
111.04594	0.4
113.02448	1.2
119.03523	0.7
119.05009	0.5
120.02226	0.5
121.02955	3.9
122.03758	1.5
123.00884	0.7
123.04513	1.8
124.01646	0.7
125.02440	35.8
126.02726	0.7
130.04190	0.6
131.05046	0.6
133.02937	1.0
135.04520	2.8
137.02440	31.2
138.02899	0.4
139.04021	1.4
146.03737	14.6
147.04475	1.5
148.01686	0.5
149.02390	1.5
149.06038	0.8
150.03172	0.8
151.04025	2.9
158.03777	0.5
159.04518	6.2
160.05276	2.7
161.02463	1.7
161.06044	1.9
162.03157	0.6
163.00357	1.0
163.03990	0.7
164.01144	8.1
165.01923	20.7
166.02290	0.5
167.03479	12.0
172.05276	3.6
173.06076	3.2
174.03197	8.3
174.06839	2.3
175.03940	2.8
176.04779	1.4
177.01961	3.3
179.03477	5.2
182.03819	0.3
183.04488	0.7
184.05240	0.4
185.05948	1.6
186.06866	2.1
187.03995	4.0
187.07649	0.5
188.04779	6.2
189.05461	0.9
190.02695	0.7
191.03467	0.7
196.05231	0.8
197.06024	1.1
198.06833	0.9
199.03973	1.0
199.07529	0.7
200.04778	4.5
200.08405	0.9
201.05540	2.7
202.06250	0.7
203.03357	0.4
204.04268	3.7
209.06108	1.7
210.06834	1.5
211.04027	1.8
211.07689	0.7
212.04782	5.5
213.05507	1.7
214.06299	0.8
217.05128	0.4
217.12450	0.5
218.05882	0.5
221.06508	0.9
222.06920	0.6
223.07635	0.7
224.04753	1.2
225.05542	4.4
225.12852	0.9
226.06267	2.0
227.07170	0.8
228.04285	0.5
228.07834	0.7
235.07974	0.6
236.04765	0.8
237.05495	2.2
238.06293	0.5
239.07112	1.1
241.12262	0.9
243.13916	1.6
244.07362	1.0
245.11760	0.4
249.05499	0.4
250.06306	0.4
251.07117	2.5
251.10794	0.4
252.07809	2.6
253.08727	0.5
253.12277	1.1
253.16188	0.3
254.05832	0.4
255.13960	2.3
255.23286	13.8
256.23578	0.5
265.08722	0.8
267.06677	0.4
267.10257	0.3
267.13660	0.6
268.07346	2.3
269.04816	0.3
269.08429	0.7
269.11789	3.7
269.15460	0.7
270.08954	2.9
270.12494	1.0
271.13376	21.4
272.13727	1.2
276.08047	0.7
277.08484	0.4
278.05908	0.4
281.11868	0.8
281.15378	0.4
283.13321	2.7
285.14890	2.8
287.12839	1.0
288.06418	0.7
289.14450	5.1
293.08206	0.6
294.08975	3.8
295.13431	1.9
297.14975	2.1
299.12894	7.4
299.16220	0.4
300.13565	1.1
301.14389	2.4
303.15958	0.7
307.13483	0.5
309.14926	2.0
311.12906	0.9
311.16608	0.3
312.13635	0.5
313.14453	11.5
314.14911	0.6
315.16016	1.7
317.13925	2.9
319.06299	0.4
320.06845	1.2
323.16510	0.7
325.14435	9.7
325.18109	0.4
326.14844	0.7
327.15948	0.7
331.15442	1.8
335.12906	0.6
335.16479	2.9
336.16946	0.4
337.14417	7.8
338.15015	0.5
343.15527	4.8
349.14227	0.6
351.15909	1.2
353.17639	2.1
354.14459	0.4
355.15512	2.1
359.16534	0.4
361.14383	0.5
365.17383	0.3
369.16843	0.9
375.15411	0.4
377.17453	4.2
378.17856	0.4
379.15384	2.4
391.14902	0.6
391.19043	1.2
393.16986	2.2
395.18564	3.9
397.17126	0.6
401.17709	1.7
411.18671	0.4
413.19559	1.0
419.18640	10.9
420.18942	0.7
421.16507	0.8
437.19730	5.1
445.16568	1.6
455.20670	0.5
463.17700	2.2
481.18588	0.5
729.29761	1.0
753.29559	0.4
835.34015	1.4
879.32709	1.0
897.33386	0.4
925.51117	0.6
937.52509	0.4
941.82855	0.3
953.50861	0.8
967.52710	17.7
968.53308	2.6
979.52533	8.5
980.53308	1.3
991.52783	9.4
992.52875	1.1
997.53766	12.7
998.54034	1.4
1009.53687	0.8
1033.53259	0.9
1049.57141	1.0
1073.57007	13.5
1074.57202	1.7
1091.56580	3.0
1092.57874	0.7
1099.54761	6.0
1100.55164	1.1
1117.55774	100.0
1118.55945	17.8
1135.56885	84.2
1136.57056	15.5
1156.21960	0.3
1167.56860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1136.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.5
85.02944	6.2
85.03379	0.1
86.00088	0.3
87.00867	2.4
89.02435	4.5
95.01375	3.2
96.99303	0.3
97.02928	0.5
99.00884	1.4
101.02438	6.8
109.02934	0.3
111.00864	0.5
112.01659	0.5
113.02442	8.7
119.03490	1.7
125.02433	0.4
129.01941	0.3
131.03500	3.8
137.02379	0.2
139.00334	0.9
143.03471	0.6
149.04585	0.3
157.01370	0.6
159.02928	0.6
161.03227	0.3
161.04538	4.6
179.05605	1.3
221.06656	5.7
222.07053	0.2
263.07678	0.2
292.96921	0.1
321.77011	0.1
403.29910	0.3
404.02289	0.1
405.27783	0.3
421.31036	1.0
423.33377	0.7
425.30429	0.2
439.32120	4.8
440.32434	0.4
441.33698	2.0
442.34448	0.2
459.34778	0.2
485.32776	0.3
509.36411	0.6
537.35803	0.4
539.72638	0.2
562.55194	0.2
779.43091	0.2
893.44989	0.5
911.46613	0.3
923.45740	0.2
1073.51575	100.0
1074.51917	15.9
1124.53711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1136.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	1.7
85.02946	5.4
87.00872	1.7
89.02438	6.2
90.58598	0.3
95.01379	2.7
96.96017	0.5
97.02908	0.5
98.78728	0.2
99.00840	1.5
101.02439	6.6
109.02976	0.2
109.73994	0.2
112.01676	0.4
113.02442	6.8
119.03476	0.9
122.84332	0.2
125.02470	0.4
131.03497	6.5
137.02454	0.4
139.00330	0.8
140.78821	0.3
143.03482	0.4
149.04524	1.5
157.01395	0.5
161.04546	0.7
168.11354	0.2
191.05597	6.0
233.06505	0.5
277.12201	0.2
354.40671	0.2
403.29916	0.4
421.31018	0.8
423.32739	0.8
425.30881	0.4
439.32126	4.5
439.37637	0.5
440.32550	0.5
441.33649	2.4
485.32303	0.3
509.36536	0.4
537.35333	0.5
539.33807	0.3
600.74756	0.2
893.45270	0.6
941.47876	0.3
1073.51624	100.0
1074.51929	18.4
1136.50818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.1
83.01383	2.3
83.01876	0.1
85.02947	4.8
86.00094	0.4
87.00871	2.5
87.01374	0.2
89.02441	6.4
93.03458	0.2
95.01383	3.6
96.99297	0.2
97.02937	0.7
99.00877	1.7
101.02440	8.7
109.02966	0.2
111.00887	0.5
112.01672	0.6
113.02444	8.9
119.03496	2.0
125.02448	0.5
129.01889	0.2
131.03503	3.5
137.02411	0.2
139.00392	0.7
143.03462	1.0
149.04559	0.3
157.01466	0.5
159.02991	0.7
160.97784	0.1
161.04552	5.3
179.05608	1.8
198.91350	0.1
221.06639	6.0
222.07088	0.2
230.19171	0.2
263.07672	0.4
403.29849	0.3
405.28085	0.5
407.29517	0.3
421.31079	1.0
423.33395	0.7
425.30304	0.2
439.32138	4.9
440.32736	0.6
441.33661	2.2
442.34048	0.2
459.34174	0.2
485.32758	0.2
509.36203	0.5
537.35858	0.3
539.33502	0.2
580.49902	0.1
679.73425	0.2
779.41400	0.2
805.93481	0.1
923.47046	0.6
941.47137	0.3
983.48260	0.1
1103.52734	100.0
1104.52930	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	1143.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
79.52058	0.2
81.03447	0.3
83.01378	2.9
84.02164	0.3
85.02451	0.4
85.02947	6.3
86.00100	0.4
87.00867	3.6
89.02436	6.0
93.03438	0.3
95.01382	5.0
96.96001	0.3
96.99308	0.2
97.02935	1.3
99.00871	1.9
101.02435	9.4
109.02927	0.5
111.00867	0.6
112.01640	0.7
113.02442	11.7
114.02768	0.2
119.03518	2.0
123.04394	0.2
125.02403	1.1
129.01932	0.4
131.03497	3.0
137.02422	0.8
139.00343	0.9
143.03522	1.3
149.04558	0.3
150.03229	0.3
157.01387	0.4
159.02975	0.7
161.03246	0.3
161.04547	6.2
165.01930	0.5
179.05595	1.8
209.11792	0.2
221.04498	0.4
221.06641	6.6
263.07687	0.6
389.34048	0.2
407.25800	0.7
437.30548	8.9
438.30820	0.6
439.32120	1.6
483.31238	0.4
507.34683	0.4
535.34308	0.6
655.72211	0.2
799.81317	0.2
921.45117	1.8
922.44214	0.3
931.87646	0.2
1083.50745	1.0
1101.50769	1.3
1105.54492	0.6
1107.48145	0.8
1143.52173	100.0
1144.52332	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	1143.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	0.6
81.03445	0.2
83.01386	2.8
85.02947	5.8
85.16649	0.1
86.00079	0.6
87.00340	0.1
87.00873	3.2
89.02441	5.0
93.03465	0.1
95.01382	4.4
96.96008	5.0
96.99301	0.3
97.02954	1.2
99.00876	1.8
99.04526	0.1
101.02440	9.6
102.02794	0.1
107.44993	0.1
109.02927	0.4
111.00877	0.7
111.04458	0.1
111.08195	0.1
112.01657	0.4
113.02444	9.7
114.02760	0.1
119.03499	1.9
121.02940	0.2
123.04576	0.1
125.02460	0.7
129.01932	0.4
131.03499	4.0
131.04292	0.1
135.04448	0.1
137.02435	0.6
139.00372	1.0
143.03496	1.0
149.02425	0.1
149.04518	0.1
150.03308	0.1
155.03476	0.2
157.01401	0.4
159.02988	0.8
161.04547	5.2
165.01920	0.3
167.03462	0.1
167.10687	0.1
179.05609	1.6
209.11801	0.2
211.13405	0.2
221.06651	6.0
222.07007	0.1
231.13869	0.2
257.06616	0.1
263.07654	0.3
271.20731	0.1
287.05542	0.2
343.06750	0.2
403.26587	0.2
407.25909	0.8
421.26907	0.1
421.31644	0.2
437.30569	8.8
438.31024	0.8
439.32089	1.8
440.32718	0.2
457.33215	0.2
483.31195	0.5
507.34723	0.4
535.34149	0.5
537.32281	0.3
801.39264	0.2
819.41571	0.1
827.00031	0.1
866.76300	0.1
880.34790	0.2
903.40887	0.1
921.45148	1.5
922.45038	0.2
981.46686	0.2
1083.50073	0.5
1101.51331	0.3
1104.52527	0.2
1105.54028	1.0
1106.55981	0.1
1107.48828	0.4
1108.46729	0.2
1143.52197	100.0
1144.52368	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	1145.537
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.3
83.01382	3.0
85.02943	6.0
86.00087	0.5
87.00873	3.3
89.02440	6.7
93.03449	0.2
95.01386	4.3
96.99307	0.2
97.02953	0.9
98.03685	0.2
99.00875	2.0
99.04491	0.1
101.02438	10.4
102.02776	0.1
109.02914	0.2
111.00882	0.7
112.01688	0.6
113.02443	11.5
114.02769	0.1
119.03493	2.4
125.02418	0.7
129.01926	0.3
131.02527	0.2
131.03500	4.0
137.02461	0.3
139.00357	0.9
141.01903	0.2
143.03481	1.3
149.04617	0.2
155.03456	0.2
157.01375	0.6
159.02960	1.0
160.37946	0.1
161.04553	6.5
179.05589	1.5
221.06644	6.4
222.06805	0.2
263.07742	0.4
387.27002	0.4
403.30042	0.4
405.27924	0.3
407.29562	0.4
421.31012	1.1
423.28299	0.3
423.32779	0.5
425.30499	0.3
439.32132	6.6
440.32617	0.6
441.33652	2.7
442.33984	0.2
453.30081	0.2
459.34979	0.2
475.67282	0.1
485.32764	0.4
509.36563	0.4
537.35876	0.4
539.33679	0.2
599.35907	0.2
601.96655	0.1
717.42523	0.2
785.40466	0.2
821.43286	0.2
923.46686	1.7
924.48029	0.2
983.48419	0.2
1085.51575	0.4
1103.51196	0.2
1145.53748	100.0
1146.53943	21.6
1147.54102	0.3
1147.77917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95760	0.2
81.03436	0.2
81.95317	0.1
83.00902	0.2
83.01378	3.2
85.02943	6.2
86.00085	0.5
86.03312	0.2
87.00868	3.1
89.02437	4.8
93.03455	0.3
95.01381	4.5
96.96004	1.5
96.99296	0.3
97.02946	0.9
98.95602	0.6
98.96443	0.1
99.00874	2.0
99.04498	0.2
101.02436	10.4
109.02943	0.5
111.00879	0.7
112.01672	0.7
113.02443	11.1
119.03485	1.8
125.02433	0.8
127.03992	0.2
129.01933	0.4
131.03500	3.2
137.02452	0.7
139.00375	1.1
141.01936	0.1
143.03481	1.2
144.48953	0.1
149.04536	0.4
155.03438	0.2
157.01385	0.6
159.03038	0.6
161.04550	4.8
179.05586	0.9
189.26357	0.1
203.05589	2.2
221.06627	6.0
221.75960	0.1
222.07028	0.2
229.35945	0.1
233.15514	0.1
263.07684	1.4
300.99777	0.1
361.25467	0.1
379.26373	0.2
387.26706	0.2
395.29565	0.1
403.30103	0.5
405.27847	0.5
407.29498	0.4
421.30948	0.9
423.28082	0.3
423.33441	0.9
425.30606	0.4
439.32138	6.2
440.32498	0.6
441.33719	2.7
442.34274	0.2
453.29980	0.3
485.32547	0.3
509.36429	0.4
537.35712	0.3
539.33643	0.2
711.27899	0.1
717.41882	0.2
743.40399	0.2
779.43201	0.2
923.46490	1.0
924.47174	0.2
965.46918	0.9
983.48193	0.1
1041.52856	0.3
1085.52124	0.6
1103.52148	0.9
1127.51855	0.2
1145.53723	100.0
1146.53943	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	1145.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.2
81.73136	0.1
83.01384	2.7
83.01885	0.2
84.02161	0.1
85.02946	7.0
86.00093	0.6
86.03276	0.1
87.00872	3.4
89.02438	6.0
93.03452	0.2
95.01385	4.2
96.01709	0.1
96.99315	0.3
97.02939	0.9
97.06594	0.1
99.00875	2.0
99.04517	0.1
101.02438	9.7
104.62772	0.1
109.02973	0.3
111.00880	0.8
112.01647	0.7
113.02444	12.0
114.02796	0.2
115.04005	0.1
119.03498	2.5
121.02983	0.1
125.02455	0.7
129.01944	0.4
131.03496	4.1
132.03883	0.1
137.02435	0.4
137.09795	0.1
139.00351	0.9
143.03479	1.3
149.04556	0.3
155.03523	0.2
157.01414	0.7
159.02997	0.8
161.04544	5.8
179.05602	1.9
200.41183	0.1
203.05672	0.1
215.14357	0.2
221.06642	7.4
222.06917	0.1
233.15581	0.1
249.06212	0.1
263.07693	0.7
337.21515	0.1
355.22824	0.2
357.24173	0.1
363.27039	0.1
387.26501	0.3
389.24722	0.1
403.30066	0.1
405.27887	0.8
407.29568	0.3
419.29465	0.1
421.31064	1.1
422.31537	0.2
423.32867	1.1
424.33224	0.1
439.32129	5.2
440.33249	0.4
441.33679	1.2
459.34720	0.3
485.32642	0.3
509.36487	0.4
537.35748	0.4
539.33875	0.3
579.36859	0.1
717.42169	0.1
761.41394	0.1
779.43042	0.1
785.41455	0.1
923.46375	1.6
924.47015	0.2
941.48260	0.1
1041.53638	0.1
1085.51880	0.9
1086.51831	0.1
1103.52576	1.2
1104.52722	0.2
1145.53711	100.0
1146.53967	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	1145.537
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03443	0.1
82.54405	0.1
83.01378	2.9
84.02157	0.2
85.02943	6.1
86.00085	0.6
87.00870	3.4
89.02439	5.9
93.03426	0.1
95.01379	4.2
96.99297	0.3
97.02938	0.9
98.00115	0.1
99.00868	2.0
101.02436	10.0
102.02758	0.1
109.02928	0.4
111.00874	0.6
112.01681	0.5
113.02442	10.7
114.02804	0.2
119.03496	1.8
121.02899	0.1
124.08380	0.1
125.02460	0.6
129.01910	0.3
131.03493	4.0
137.02423	0.4
137.09744	0.1
139.00345	0.9
143.03474	1.4
149.04521	0.2
155.03438	0.1
157.01410	0.5
159.02977	0.9
161.04535	6.1
162.04890	0.2
179.04071	0.1
179.05595	1.8
205.03429	0.1
215.14339	0.2
221.06636	6.8
222.06964	0.2
229.19810	0.1
233.15399	0.1
263.07614	0.4
318.90915	0.1
337.21570	0.1
355.22586	0.3
357.24304	0.2
387.26834	0.3
389.24857	0.3
403.29730	0.1
405.27957	0.7
407.29501	0.4
419.29977	0.1
421.31070	1.1
422.31674	0.2
423.32877	0.9
424.33313	0.1
425.30353	0.2
439.32120	4.8
440.32721	0.5
441.33755	1.3
442.34027	0.1
459.35080	0.2
484.42999	0.1
485.32718	0.3
509.36545	0.5
537.35724	0.4
539.33850	0.3
717.41504	0.1
785.41089	0.1
923.46313	1.4
924.46729	0.2
941.48358	0.1
958.73645	0.1
965.48206	0.1
983.49524	0.2
1085.51196	0.5
1103.53894	0.3
1106.54529	0.2
1107.54565	1.5
1108.54834	0.2
1109.55505	0.3
1145.53699	100.0
1146.53918	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	1145.576
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	0.2
83.01385	3.0
85.02451	0.4
85.02943	6.7
86.00085	0.6
87.00875	2.7
89.02441	6.8
95.01386	4.0
96.96008	0.7
96.99270	0.4
97.02946	1.1
99.00865	1.8
101.02439	9.6
102.02726	0.3
109.02917	0.6
111.00897	0.5
112.01644	0.5
112.73934	0.2
113.02449	11.3
119.03504	2.3
125.02445	0.4
129.01936	0.3
131.03508	3.9
136.31657	0.2
137.02417	0.5
139.00328	0.7
143.03490	1.3
149.04527	0.2
157.01402	0.4
159.02956	0.6
161.04546	6.0
179.05620	1.6
211.13332	0.3
213.28041	0.2
221.06657	6.5
222.06929	0.3
263.07626	0.6
423.32825	0.5
439.35977	4.9
440.36227	0.6
485.36157	0.3
509.39886	0.3
511.54279	0.2
537.39111	0.2
866.56915	0.3
923.49945	1.6
1041.57617	0.3
1055.51526	0.7
1085.54565	1.1
1103.56152	1.1
1145.57190	100.0
1146.57336	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	1147.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	2.9
85.02442	0.4
85.02945	6.2
85.03455	0.4
86.00114	0.4
86.03260	0.2
87.00876	2.8
89.02440	5.9
93.03442	0.3
95.01387	3.9
96.99305	0.4
97.02944	0.8
98.20628	0.6
99.00880	1.8
101.02437	9.3
109.02932	0.4
111.00848	0.5
112.01646	0.6
113.02443	10.5
119.03498	2.4
125.02435	0.7
129.01906	0.2
131.03497	3.9
137.02385	0.3
139.00348	0.8
143.03487	0.9
143.67165	0.2
157.01382	0.5
159.02922	0.6
161.04543	6.1
179.05585	1.6
208.51878	0.2
221.06638	6.8
263.07654	0.5
373.25229	0.3
389.28256	0.3
405.31940	0.4
407.29135	0.3
421.30914	0.4
422.09601	0.2
423.32785	1.3
439.31961	1.3
440.32397	0.2
441.33713	5.3
442.34125	0.6
443.34882	0.6
505.15549	0.3
511.38116	0.3
539.37524	0.4
664.12726	0.2
765.85834	0.2
925.47748	1.6
926.48450	0.3
1087.52722	1.0
1088.54871	0.3
1105.53955	1.4
1147.55273	100.0
1148.55530	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	1147.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03440	0.2
83.01385	2.6
85.02946	5.7
86.00093	0.4
87.00875	3.2
87.01427	0.1
89.02440	5.3
93.03439	0.1
95.01383	3.7
95.36642	0.1
96.99310	0.3
97.02973	0.8
97.03530	0.2
98.19746	0.2
99.00874	1.9
101.02438	9.5
102.02774	0.1
109.02955	0.3
111.00874	0.6
112.01687	0.5
113.02444	9.7
114.02779	0.2
119.03501	1.9
125.02435	0.6
127.03996	0.1
129.01959	0.3
131.03497	3.4
133.07561	0.1
137.02432	0.4
137.09674	0.1
139.00366	0.7
143.03482	1.1
149.04568	0.2
155.03481	0.2
157.01421	0.6
159.02945	0.7
161.04546	5.7
179.05617	1.8
185.28981	0.1
187.14925	0.1
205.03468	0.1
221.06642	5.9
222.06912	0.3
263.07681	0.4
265.03751	0.1
338.01984	0.1
373.25348	0.2
389.28839	0.1
396.27719	0.1
403.30063	0.2
405.32016	0.4
407.29440	0.3
421.31097	0.6
423.32925	1.5
425.34857	0.1
439.32175	1.4
440.32355	0.2
441.33682	5.5
442.34100	0.4
443.35538	0.5
487.34125	0.3
511.37802	0.4
539.37537	0.4
541.35486	0.2
555.36566	0.1
787.42743	0.1
805.43439	0.2
848.77490	0.1
925.47852	1.3
926.48395	0.2
985.49976	0.2
1087.52075	0.5
1105.53503	0.2
1147.55237	100.0
1148.55493	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	1148.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	1.4
85.02937	3.9
85.46680	0.3
86.00095	0.5
87.00868	2.8
89.02433	5.8
94.70387	0.3
95.01379	4.2
96.96006	0.6
97.02921	0.7
98.20599	0.6
99.00877	1.2
101.01778	0.5
101.02429	7.4
111.00851	0.5
113.02439	8.2
119.03482	2.1
125.02416	0.4
128.49619	0.3
131.03513	2.6
139.00360	0.8
143.03479	1.3
157.01396	0.7
159.02971	0.6
161.04539	4.9
179.05592	1.4
221.06657	6.8
391.26132	0.4
405.27762	0.4
407.29373	1.2
421.31073	4.4
423.32635	8.1
423.41321	0.4
424.32773	0.9
467.31778	0.3
491.35193	0.4
519.34308	0.6
702.85120	0.3
905.44757	0.7
1054.13489	0.3
1085.51587	100.0
1086.51978	17.8
1148.55054	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	1150.528
Annotation	Unknow
Peak:m/z	Relative Intensity
82.22158	0.3
83.01383	1.8
85.02946	3.9
86.00111	0.4
87.00880	1.7
89.02438	4.9
95.01389	3.9
96.96001	0.5
97.02932	0.7
99.00872	1.2
101.02437	7.8
104.56931	0.3
111.00858	0.4
112.01656	0.4
113.01694	0.5
113.02441	7.3
119.03485	2.1
131.03511	3.0
137.02470	0.4
139.00372	0.8
143.03519	0.6
157.01430	0.7
159.02968	0.6
161.04550	4.1
179.05634	1.6
221.06639	5.6
257.14142	0.3
389.28635	0.9
407.29544	0.8
423.32602	5.9
424.33228	0.7
425.34344	1.2
469.33124	0.5
493.36642	0.4
521.36493	0.5
523.34399	0.4
685.75397	0.4
829.76147	0.3
907.47015	0.5
1087.53174	100.0
1088.53552	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	1153.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95703	0.1
80.63898	0.1
83.01382	1.6
85.02940	4.6
86.00082	0.3
86.03255	0.1
87.00867	2.8
89.02434	5.1
89.50258	0.1
93.03454	0.2
95.01377	3.2
96.96011	0.4
96.99303	0.2
97.02944	0.7
99.00868	1.7
101.02430	8.4
102.02769	0.1
109.02970	0.3
111.00854	0.5
112.01676	0.4
113.02437	9.0
114.02773	0.1
115.04008	0.1
119.03487	2.0
125.02422	0.4
126.28311	0.1
129.01884	0.2
131.03490	3.6
137.02486	0.2
139.00366	0.9
141.01897	0.1
143.03474	1.0
149.04539	0.2
151.11264	1.6
155.03505	0.1
157.01425	0.7
159.02983	0.8
161.04539	5.1
162.04872	0.1
164.18925	0.1
179.05589	2.2
191.05605	0.2
196.39291	0.1
221.06633	7.2
222.06976	0.1
249.06169	0.1
254.26408	0.1
263.07651	0.3
319.06525	0.1
382.27701	0.1
389.28589	0.1
393.27979	0.1
405.27591	0.1
407.29147	0.3
409.30719	0.1
421.31180	0.6
423.32623	6.8
424.32968	0.7
425.34189	4.0
426.34442	0.3
437.30243	0.1
439.32123	0.3
453.27240	0.1
453.33670	2.2
454.33575	0.1
455.35190	0.3
469.33096	0.2
473.36646	0.1
493.36765	0.2
499.33789	0.1
521.36267	0.4
523.35040	0.1
537.35553	0.1
539.36932	0.1
551.37457	0.2
563.37305	0.1
727.39374	0.1
763.42554	0.4
907.46826	0.4
908.47015	0.1
925.47760	0.3
937.47626	0.4
955.49573	0.1
957.51221	0.1
1087.53125	2.1
1088.53430	0.2
1089.56128	0.5
1090.55054	2.1
1091.55212	0.1
1117.54175	100.0
1118.54321	16.3
1153.50513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	3.3
83.01377	7.9
85.02939	1.1
87.00857	1.3
89.02428	2.1
91.05501	0.6
93.03462	2.0
95.01368	2.1
95.05009	1.6
96.96009	1.3
97.02939	4.3
99.00903	0.5
99.04510	1.6
101.02431	3.9
107.05024	1.5
109.02936	5.7
113.02438	1.5
119.03465	0.5
121.02956	4.7
122.03719	1.5
123.00859	0.8
123.04521	1.7
124.01653	1.6
125.02437	39.6
126.02742	0.7
131.05031	0.6
133.02974	1.4
135.04520	3.0
137.02432	29.6
137.06046	0.6
139.03947	0.8
145.02933	0.5
146.03726	15.1
147.04472	1.9
148.01556	0.5
149.02417	1.6
150.03139	1.0
151.03989	2.7
153.05154	0.5
158.03740	0.6
159.04475	6.5
160.05269	3.5
161.02388	1.5
161.06088	1.7
163.00412	0.9
163.04039	1.1
164.01147	10.6
165.01920	18.5
166.02223	0.6
167.03477	13.1
167.04922	0.7
172.05292	3.6
173.02458	0.6
173.06053	3.4
174.03198	8.2
174.06795	2.8
175.03954	2.4
176.04759	1.8
177.01891	4.2
179.03491	5.8
181.05055	0.7
183.04579	0.4
184.05209	0.8
185.06070	1.4
186.06761	2.1
187.03992	4.5
188.04782	5.6
189.05473	1.3
191.03522	0.9
196.05243	1.3
197.06044	1.3
198.06822	0.8
199.03984	0.7
199.07646	1.4
200.04747	4.6
200.08400	0.8
201.05563	3.4
202.06262	0.6
204.04259	3.6
209.06062	1.2
210.06804	1.9
211.03972	1.5
211.07590	0.6
211.13364	0.5
212.04750	5.5
213.05556	1.3
217.05049	0.5
221.06622	2.6
223.07617	1.3
224.04822	1.1
224.08353	0.6
225.05569	4.6
225.12801	0.9
226.06345	1.8
227.07063	1.2
228.07857	0.7
236.04745	0.9
237.05650	1.8
238.06264	0.8
239.07126	1.2
240.11485	0.5
243.06619	0.6
243.13812	1.5
244.07240	0.7
245.11922	0.5
250.06476	0.6
251.07111	2.2
251.10771	0.5
252.07896	3.4
253.05116	0.6
253.12251	1.0
254.05803	0.6
255.13879	1.9
265.08560	1.2
267.13977	0.6
268.07343	2.3
269.08145	1.0
269.11826	3.4
269.14813	0.6
270.08987	2.9
270.12393	0.7
271.13354	24.0
272.13721	0.9
273.15134	0.5
276.07877	0.9
277.21658	4.7
281.11826	0.8
283.13431	4.3
284.13928	0.5
285.15027	3.2
287.05426	0.5
287.12796	2.1
289.14435	9.7
290.14801	0.8
293.08368	0.6
294.08875	3.3
295.10345	0.7
295.13275	3.2
297.15002	2.7
298.77393	0.5
299.12909	7.7
299.16190	0.7
300.13446	1.1
301.14343	2.9
303.15973	0.6
307.13235	0.8
309.14926	2.0
311.12912	0.8
313.14432	11.0
315.15677	2.2
316.12955	0.9
317.13907	4.6
317.17429	0.7
320.06723	1.0
325.14410	9.0
325.17975	0.9
327.15939	1.2
331.15402	3.6
335.12943	0.9
335.16394	3.2
337.14401	8.5
341.13647	0.7
343.15482	5.8
349.18085	0.9
351.16022	1.9
353.13834	0.6
353.17639	2.7
355.15448	2.9
369.17050	1.6
371.18723	0.6
375.15384	0.6
377.17587	3.9
379.15573	2.2
391.19254	1.0
393.17068	3.0
395.18686	4.8
397.16708	1.0
401.17554	1.7
411.17972	0.8
413.19666	1.6
419.18585	8.9
420.18896	0.6
435.76642	0.6
437.19669	6.7
438.20117	0.9
445.16525	1.1
455.20700	1.1
463.17725	2.6
481.18491	0.7
622.19135	0.5
715.28613	0.6
729.29987	2.1
753.29712	0.9
759.30469	0.6
791.79108	0.5
835.34161	3.1
853.34570	0.5
861.31482	0.7
879.33282	2.2
959.50220	1.0
975.49225	0.6
989.50989	15.9
990.52155	3.0
1001.51257	7.0
1002.52893	1.0
1013.51056	9.2
1014.51788	1.7
1019.52100	11.7
1020.52576	2.1
1031.52734	1.3
1055.52100	1.6
1071.54553	1.3
1095.55188	14.3
1096.56006	2.8
1113.55176	3.4
1114.54663	0.9
1121.52747	6.6
1122.53333	1.5
1139.54187	100.0
1140.54272	17.6
1157.55237	78.3
1158.55701	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	1157.553
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03460	3.2
83.01382	8.1
83.05038	0.3
85.02931	1.2
87.00876	1.1
89.02441	2.0
91.05553	0.4
93.03437	2.3
95.01389	1.5
95.05022	1.6
96.95992	0.4
97.02956	3.1
99.04523	1.9
101.02437	3.4
107.05008	1.0
108.02187	0.5
109.02952	4.8
111.00879	0.3
111.04512	0.5
113.02435	1.6
113.06083	0.3
119.03465	0.6
119.05047	0.4
120.02167	0.5
121.02945	3.7
122.03742	1.6
123.00899	0.7
123.04537	2.2
124.01643	1.1
125.02443	36.4
126.02778	0.7
130.04321	0.6
131.05013	0.5
133.02969	1.2
135.04514	2.9
137.02438	29.3
138.03148	0.7
139.04025	1.3
143.03429	0.3
143.05142	0.4
145.02972	0.6
146.03732	16.5
147.04488	1.6
148.05232	0.4
149.02415	1.6
149.06024	0.5
150.03215	0.8
151.03990	2.4
155.05064	0.3
158.03719	0.8
159.04504	6.1
160.05290	2.7
161.02434	1.3
161.04645	0.5
161.06059	1.8
162.03206	0.5
163.00356	1.1
163.04036	0.6
164.01135	8.9
165.01917	19.5
166.02365	0.4
167.03490	12.4
168.03867	0.4
169.06543	0.3
171.04526	0.7
172.05275	4.1
173.02412	0.2
173.06070	3.2
174.03209	8.1
174.06808	2.2
175.03993	2.8
176.04750	1.1
177.01921	3.6
179.03487	6.1
181.05066	0.3
183.04501	0.7
184.05255	0.7
185.06050	1.6
186.03168	0.2
186.06761	1.7
187.03986	3.8
187.07596	0.9
188.04771	5.6
189.05577	1.6
190.02776	0.5
190.06319	0.3
191.03523	0.7
196.05322	1.0
197.06013	1.2
197.09657	0.3
198.06801	0.8
199.03999	0.8
199.07613	1.0
200.04765	3.7
200.08418	0.7
201.05556	2.2
201.09123	0.4
202.06406	1.1
204.04265	3.5
209.06087	2.3
210.06868	1.5
211.04105	1.2
211.07603	1.0
211.13397	0.8
212.04788	5.8
212.08339	0.5
213.05508	1.5
213.09236	0.6
214.06439	0.5
214.09999	0.4
215.07152	0.4
216.04155	0.4
217.05064	0.3
217.12354	0.3
218.05853	0.3
221.06602	2.8
222.06754	0.5
223.07642	0.8
224.04724	1.6
224.08376	0.3
225.05569	3.8
225.09120	0.4
225.12904	0.6
226.06255	2.7
227.07069	1.0
227.10738	0.3
228.04329	0.5
228.07805	0.6
229.12332	0.3
230.05859	0.4
236.04832	0.6
236.08340	0.3
237.05489	1.4
237.09254	0.5
238.06337	0.6
239.07109	0.8
240.07716	0.4
241.08417	0.4
241.12332	0.7
243.06715	0.3
243.13844	1.1
244.07437	0.9
245.11830	0.5
249.05344	0.3
250.06351	0.4
251.07141	2.4
251.10736	0.3
251.14459	0.3
252.07863	2.7
253.05061	0.4
253.08771	0.3
253.12273	0.7
254.05750	0.6
255.13837	2.0
257.11530	0.3
263.07129	0.3
265.05121	0.3
265.08578	0.9
266.09473	0.5
267.06485	0.5
267.10376	0.2
267.13916	0.6
268.07358	1.9
269.04416	0.4
269.08212	0.6
269.11810	3.5
269.15414	0.8
270.05692	0.5
270.08939	1.8
270.12485	0.7
271.13373	23.1
272.13751	1.0
273.14948	0.7
276.07846	0.9
277.21716	4.7
278.05820	0.5
278.09180	0.3
279.06686	0.3
279.10254	0.3
279.13858	0.3
281.11819	0.6
281.15540	0.5
282.09064	0.3
283.10175	0.5
283.13391	3.3
285.14999	3.1
287.05698	0.3
287.12881	2.0
288.06430	0.6
288.13510	0.3
289.14444	9.3
289.17691	0.5
290.14792	0.5
291.10068	0.3
292.07404	0.4
293.08206	0.3
294.05640	0.5
294.08948	4.3
295.13348	2.9
296.13766	0.3
297.14951	3.0
299.12897	6.7
299.16431	0.7
300.13391	0.7
301.14465	2.8
303.16275	0.4
304.11163	0.3
307.13321	0.6
307.16681	0.4
309.14978	1.9
311.12927	0.8
312.10059	0.3
313.14441	11.1
314.14792	0.6
315.15976	2.7
316.13025	0.6
316.16336	0.3
317.13931	4.5
317.17456	0.3
318.14542	0.7
319.13284	0.5
320.06906	1.0
322.11954	0.4
323.16437	0.3
325.14438	9.2
325.17813	0.5
326.14877	0.4
327.12436	0.3
327.15997	1.0
329.13998	0.4
331.15485	3.0
333.14758	0.5
335.12720	0.8
335.16431	3.7
336.17453	0.3
337.14447	7.3
338.14877	0.4
343.15485	5.3
349.18115	0.6
351.15894	1.7
353.13785	0.4
353.17474	2.2
354.14319	0.4
355.15414	3.3
359.16483	0.6
367.19540	0.3
369.16934	1.2
371.18625	0.5
375.15741	0.4
375.19937	0.4
377.13409	0.4
377.17596	4.0
379.15509	2.4
391.15143	0.8
391.19751	1.1
393.16922	1.9
395.18665	5.0
397.16495	0.8
401.17612	1.4
403.15485	0.4
411.18170	0.8
413.19711	1.7
419.18658	10.4
420.19125	0.6
421.16580	0.7
437.19675	7.0
438.19919	0.4
445.16550	1.4
455.20862	0.6
463.17706	1.8
481.18491	0.8
699.28143	0.4
715.27936	0.5
729.29834	2.3
741.29211	0.3
753.29584	1.8
759.30640	0.5
811.34827	0.4
817.31891	0.4
835.33746	3.2
836.34906	0.4
853.35242	0.6
861.31873	0.6
879.33081	2.6
897.33130	0.4
915.47980	0.3
947.50098	0.7
959.50421	1.2
973.51508	0.6
975.49573	1.1
977.50287	0.6
989.51044	16.5
990.51331	2.6
1001.51031	8.7
1002.50861	1.2
1013.51086	10.4
1014.51154	1.7
1019.52075	11.5
1020.52087	1.8
1031.51563	1.3
1053.53711	0.6
1055.52466	1.5
1056.52356	0.4
1069.53406	0.3
1071.55371	1.3
1095.55212	15.5
1096.55701	3.1
1097.53845	0.3
1113.55164	4.1
1114.56335	0.5
1121.52991	6.9
1122.53479	1.3
1139.54236	100.0
1140.54419	18.1
1157.55286	75.2
1158.55591	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	1157.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	3.0
83.01385	7.5
85.02946	1.1
87.00877	1.1
88.78879	0.3
89.02446	2.1
93.03455	2.7
95.01383	1.3
95.05020	1.3
96.96008	0.4
97.02946	3.4
99.00893	0.6
99.04499	1.6
101.02431	2.7
101.70286	0.2
107.04986	0.7
108.02171	0.7
109.02958	4.3
113.02431	1.5
115.38221	0.2
117.03470	0.3
119.03487	0.6
119.05014	0.4
120.02168	0.7
121.02943	3.9
122.03762	1.3
123.00883	0.7
123.04518	1.7
124.01635	0.8
125.02442	33.1
126.02763	0.5
130.04218	0.5
131.05022	0.6
133.02953	1.0
135.04509	3.0
137.02435	27.3
139.04045	1.6
143.03600	0.3
143.05064	0.5
145.02939	0.4
146.03734	14.3
147.04552	1.7
148.01660	0.6
148.05284	0.2
148.87108	0.2
149.02437	1.8
149.06013	0.4
150.03203	0.9
151.03990	2.8
154.02785	0.4
158.03668	0.7
159.04510	6.8
160.05286	2.5
161.02461	1.4
161.04727	0.4
161.06010	1.5
162.03217	0.8
163.00352	1.1
163.03979	0.7
164.01151	7.4
165.01918	19.7
166.02289	0.5
167.03482	9.9
168.03873	0.3
169.06653	0.4
171.04553	0.3
172.05272	5.0
173.02441	0.5
173.06087	3.0
174.03212	9.1
174.06775	2.2
175.04016	2.6
176.04755	1.7
177.01912	4.0
177.05576	0.6
179.03473	5.5
183.04501	0.5
184.05264	0.5
185.06082	2.0
186.06847	1.5
187.03990	3.9
187.07471	0.4
188.04752	4.9
189.05582	1.5
190.02721	0.6
190.06329	0.4
191.03569	0.5
196.05318	1.0
197.06004	1.1
198.06892	0.5
199.04021	0.9
199.07640	0.9
200.04779	3.6
200.08342	0.5
201.05557	3.6
201.08823	0.3
202.06409	0.7
203.03491	0.6
204.04280	3.2
208.05211	0.5
209.06079	1.4
210.06798	1.4
211.04015	1.6
211.07564	0.9
211.13351	1.7
212.04747	5.9
212.08159	0.5
213.05568	1.2
213.09160	0.5
214.06358	0.7
215.07103	0.5
217.04948	0.3
217.12305	0.6
218.05789	0.6
221.06589	1.1
222.06778	0.6
223.07616	1.4
224.04709	1.2
224.08330	0.4
225.05548	3.4
225.09097	0.4
225.12944	0.6
226.06337	2.3
227.07092	0.9
227.10748	0.3
228.04208	0.4
228.07826	0.6
229.12300	0.4
234.06804	0.3
235.07635	0.3
236.04893	0.4
237.05563	1.7
237.09344	0.4
238.06187	0.6
239.07077	1.0
241.12372	0.9
243.13855	1.0
244.07394	0.6
245.11806	0.3
246.05330	0.4
249.09370	0.4
251.07062	2.3
252.07869	2.6
253.04988	0.8
253.12282	0.6
254.05740	0.5
255.13899	2.1
265.08685	0.9
266.05716	0.3
267.06607	0.5
267.10205	0.4
267.13925	0.7
268.07349	1.9
269.08221	0.7
269.11798	3.5
269.15393	0.8
270.06149	0.3
270.08914	2.4
270.12317	0.8
271.13376	18.7
272.13742	0.9
276.07947	0.6
277.08688	0.4
277.21683	8.3
278.05679	0.6
278.21985	0.5
279.06638	0.3
281.08490	0.3
281.11896	0.7
281.15411	0.4
283.13290	2.1
285.14935	2.6
287.05603	0.9
287.12741	1.2
288.06409	0.7
288.13464	0.3
289.14447	4.5
292.07309	0.3
293.08154	0.5
294.05609	0.5
294.08902	4.2
295.09894	0.4
295.13382	2.1
297.14923	3.6
298.11908	0.4
299.12897	6.1
299.16171	0.5
300.13495	0.6
301.14355	1.7
307.13229	0.4
309.14926	2.0
311.12866	0.5
312.09988	0.3
312.13623	0.5
313.14432	11.0
314.14853	0.4
315.15979	2.0
317.13904	2.6
319.13547	0.4
320.07053	1.3
323.16354	0.5
325.14423	8.5
326.14737	0.7
327.16028	0.4
331.15421	1.5
333.14981	0.6
335.12744	0.3
335.16476	3.2
337.14401	6.4
338.14813	0.7
341.17722	0.4
343.15445	4.8
344.15735	0.3
349.14203	0.4
349.18069	0.6
350.15381	0.3
351.15991	1.2
353.14227	0.5
353.17520	1.7
354.14471	0.4
355.15359	1.9
359.16388	0.5
361.14313	0.3
367.19186	0.3
369.16992	1.1
371.18503	0.4
375.15460	0.3
377.17535	3.7
379.15616	2.0
387.18073	0.4
391.19159	1.0
393.16846	2.1
395.18555	4.3
397.12900	0.5
401.17828	1.2
409.16483	0.5
411.18085	0.4
413.19849	0.9
419.18652	9.6
420.18942	0.8
421.16559	0.5
427.15131	0.3
437.19632	5.6
438.19696	0.5
439.17172	0.4
445.16382	1.6
455.21021	0.4
463.17630	3.1
481.18613	1.1
572.48022	0.3
711.27960	0.3
729.29816	0.9
741.30969	0.4
753.29395	0.6
817.33289	0.5
835.34131	1.3
861.32526	0.4
879.32751	1.2
947.48364	0.4
959.49072	1.6
973.51715	1.2
975.49884	0.8
977.48590	1.3
989.51074	17.0
990.51019	2.6
995.50366	0.9
1001.51166	8.5
1002.51477	1.2
1013.51062	9.4
1014.51489	1.2
1019.52197	9.8
1020.52435	1.7
1031.52344	0.9
1053.54773	0.5
1055.52844	1.1
1071.55798	1.3
1072.56592	0.4
1095.55237	14.1
1096.55176	2.3
1113.54761	3.2
1114.54810	0.4
1121.53296	5.7
1122.53406	0.9
1139.54224	100.0
1140.54309	16.1
1157.55261	75.1
1158.55566	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	1159.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03443	0.2
83.01379	2.5
85.02950	6.0
85.26276	0.1
86.00089	0.5
87.00393	0.2
87.00872	2.9
89.02439	4.6
93.03450	0.3
95.01380	4.2
96.95999	0.4
96.99294	0.2
97.02952	0.9
99.00869	2.0
101.02437	8.8
102.02773	0.3
109.02938	0.3
111.00876	0.7
112.01655	0.6
113.02444	10.9
114.02780	0.2
115.34435	0.1
119.03485	2.1
121.02942	0.2
123.04522	0.2
125.02442	0.7
129.01935	0.2
131.03496	3.5
137.02431	0.5
139.00359	0.9
139.04031	0.2
143.03467	1.2
149.64220	0.1
153.01921	0.2
157.01442	0.7
159.02989	0.6
161.04550	5.5
165.01883	0.1
169.17264	0.1
179.05580	1.7
209.11746	0.2
221.06624	5.8
229.12273	0.3
255.13849	0.4
263.07730	0.4
273.14841	0.2
368.23553	0.2
407.25809	0.4
420.26709	0.4
422.24225	1.8
422.28323	2.8
423.24353	0.2
424.26028	0.9
435.28281	0.2
437.30566	3.4
438.30917	0.3
440.29214	1.5
441.30261	0.2
453.30212	0.9
455.31702	0.6
463.67560	0.2
518.30157	0.2
523.34460	0.3
536.31348	0.6
551.34131	0.8
552.34564	0.2
553.31531	0.2
554.32642	0.4
698.36633	0.2
765.90002	0.2
937.44043	2.4
938.44916	0.4
955.45044	0.2
1099.50183	1.6
1100.49548	0.3
1117.50586	1.8
1118.49805	0.5
1159.51648	100.0
1160.51929	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	1161.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	0.2
83.01383	2.5
84.02156	0.1
85.02944	6.4
86.00073	0.4
87.00874	3.0
87.04494	0.1
89.02443	4.7
93.03464	0.2
95.01384	3.9
96.96003	0.3
96.99300	0.4
97.02950	1.1
97.06607	0.1
99.00877	1.9
101.02438	8.8
102.02767	0.2
109.02943	0.3
111.00884	0.7
112.01653	0.5
113.02446	11.1
114.02762	0.2
119.03494	2.1
119.04866	0.1
123.04536	0.2
124.01746	0.1
125.02428	0.7
127.04070	0.1
129.01974	0.3
131.03499	3.5
135.08183	0.1
137.02451	0.6
139.00366	1.2
141.01915	0.1
143.03474	1.1
149.02515	0.1
149.04538	0.2
151.03990	0.1
157.01425	0.5
159.02953	0.7
161.04546	5.4
162.04956	0.1
163.00307	0.1
163.04031	0.1
165.01871	0.1
167.03461	0.1
179.05609	1.5
195.06570	0.1
203.03342	0.1
203.05542	0.2
221.06645	5.9
222.07063	0.2
249.06070	0.1
263.07529	0.4
285.03992	0.3
289.07050	0.1
300.99963	0.1
325.67654	0.1
353.24893	0.2
355.26434	0.3
367.26517	0.3
369.27991	0.3
381.28204	0.1
389.28448	0.2
391.30356	0.1
403.26486	0.2
405.28168	0.2
407.29602	0.8
408.29947	0.1
409.31244	0.5
419.29715	0.1
421.26907	0.4
423.29095	0.2
425.26852	0.1
437.30551	0.8
438.30988	0.1
439.33127	0.5
441.29968	0.5
453.29767	0.1
455.31613	5.0
456.32187	0.5
457.33224	2.2
458.33710	0.2
481.11572	0.1
501.32135	0.2
525.35870	0.2
553.35339	0.5
555.33319	0.2
733.41400	0.1
777.40979	0.1
795.41119	0.1
801.41119	0.2
939.46027	1.8
939.63580	0.1
940.46271	0.4
957.47125	0.2
999.48010	0.2
1057.52844	0.2
1101.51099	1.1
1102.50806	0.2
1119.52100	1.3
1120.53247	0.3
1161.53198	100.0
1162.53516	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	1161.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.2
83.01383	2.5
84.01711	0.0
84.02161	0.1
85.02946	6.6
86.00086	0.5
86.03279	0.1
87.00869	3.6
87.04509	0.1
88.01196	0.1
89.02438	5.3
90.02792	0.1
93.03465	0.2
95.01382	4.8
96.01724	0.1
96.96016	0.1
96.99305	0.4
97.02943	1.0
97.06580	0.0
98.00090	0.1
99.00874	2.2
99.04494	0.1
101.02438	10.7
101.99578	0.0
102.02799	0.1
103.03993	0.1
109.02942	0.5
111.00882	0.7
112.01668	0.7
113.02444	11.6
114.02721	0.2
115.00374	0.1
119.03498	2.0
120.03809	0.0
121.02946	0.0
123.04537	0.1
125.02433	0.6
127.04000	0.0
131.03497	3.8
131.62711	0.0
132.03835	0.1
135.04558	0.0
135.91083	0.0
137.02431	0.5
139.00365	1.0
139.03979	0.1
141.01926	0.1
143.03491	1.1
144.03761	0.0
149.02486	0.0
149.04535	0.2
151.03979	0.1
155.03479	0.1
157.01396	0.6
159.02971	0.8
161.04546	6.2
162.04900	0.1
165.01950	0.1
167.03462	0.1
173.00903	0.0
179.05594	1.5
205.03505	0.1
221.06644	6.5
222.06976	0.2
231.13898	0.0
249.06061	0.0
255.13815	0.1
257.06772	0.1
263.07675	0.4
269.19089	0.1
275.07678	0.0
301.05640	0.1
319.06656	0.1
341.11069	0.0
365.28592	0.1
373.25327	0.1
387.27325	0.0
389.28400	0.1
391.26263	0.1
391.30502	0.1
393.27856	0.1
399.10995	0.0
401.28659	0.1
403.26132	0.1
405.28195	0.4
407.29514	1.6
408.29938	0.2
409.31094	2.2
410.31348	0.2
417.28110	0.1
419.29648	0.1
420.29846	0.0
421.27112	0.3
423.28979	0.2
435.29285	0.1
437.30579	3.3
438.30994	0.4
439.32178	1.8
439.38266	0.1
440.31946	0.2
451.28156	0.3
455.31656	0.5
457.33313	0.1
479.31772	0.1
495.30899	0.1
497.32703	4.5
498.33179	0.5
499.34271	0.9
500.34470	0.1
511.30402	0.1
523.34241	0.1
543.33325	0.1
553.34888	0.1
567.36816	0.3
568.37463	0.1
595.36365	0.4
597.34351	0.2
611.34625	0.0
637.37915	0.1
657.35980	0.1
775.42883	0.3
801.39801	0.2
819.41711	0.2
837.42419	0.1
981.46912	1.7
982.46881	0.3
999.47601	0.3
1000.47839	0.1
1087.47205	0.0
1099.54370	0.1
1107.45068	0.1
1161.53113	100.0
1162.53479	21.2
1163.51868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03432	0.2
83.01382	2.3
85.02945	5.3
86.00095	0.5
87.00872	2.1
89.02439	3.4
90.81804	0.1
91.76494	0.1
93.03439	0.2
95.01380	4.2
96.96001	0.5
96.99298	0.3
97.02940	1.1
98.00090	0.8
99.00871	3.2
101.02440	6.6
109.02959	0.5
111.00880	0.5
111.08148	0.2
111.60117	0.2
112.01652	1.3
113.02444	8.4
114.02757	0.2
119.03476	1.1
125.02419	0.6
129.01930	0.3
131.03503	2.0
137.02437	0.3
139.00368	1.1
143.03497	0.9
157.01414	0.4
157.02849	0.1
158.91544	0.2
159.02974	0.4
161.04549	3.2
179.03322	0.2
179.05591	1.2
221.06631	4.1
239.53584	0.2
242.45551	0.2
263.07642	0.4
381.27954	0.2
383.29492	0.2
389.11902	0.2
395.33383	0.4
413.34207	3.5
414.34656	0.3
415.35794	5.0
416.36404	0.4
457.33130	2.2
458.33685	0.3
459.34695	3.9
460.34985	0.4
497.36292	0.3
509.36700	0.2
527.37720	0.3
537.35327	0.4
541.35309	3.3
542.35669	0.3
553.35583	0.3
555.36914	1.8
573.37750	0.4
597.37579	0.2
599.35919	0.2
617.36810	0.2
717.41962	0.2
735.43109	0.6
736.43909	0.2
941.47748	1.6
942.47040	0.3
983.49609	0.4
1059.53369	0.3
1066.35693	0.2
1103.52747	1.2
1104.54749	0.2
1121.53162	1.7
1122.54248	0.3
1163.54810	100.0
1164.55090	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	2.5
85.02943	4.7
86.00101	0.4
87.00877	2.2
89.01430	0.2
89.02436	3.5
93.03442	0.3
95.00811	0.3
95.01382	4.4
95.24288	0.2
96.95999	1.0
97.02946	0.9
98.00093	0.8
99.00877	3.0
101.02440	6.9
104.18446	0.2
109.02924	0.4
111.00856	0.7
112.01639	1.2
113.02444	8.4
115.47974	0.2
119.03465	1.3
125.02423	0.5
129.01994	0.3
131.03485	2.8
137.02443	0.6
139.00381	0.8
143.03487	0.8
149.04488	0.2
157.01390	0.4
159.02966	0.5
161.04549	3.9
172.08331	0.2
179.05602	0.9
221.06633	4.1
263.07617	0.4
263.62302	0.2
297.05176	0.2
311.40710	0.2
395.33957	0.2
404.59061	0.2
413.34229	3.4
415.35736	4.4
416.36118	0.3
441.33737	0.3
457.33160	2.2
458.33566	0.3
459.34769	4.4
485.36160	0.2
527.36932	0.3
537.35919	0.4
541.35291	2.7
542.35919	0.4
553.35162	0.4
555.36816	1.8
556.37360	0.3
573.37915	0.5
578.14349	0.2
589.87830	0.2
606.60077	0.2
617.36835	0.3
703.41150	0.2
706.35645	0.2
717.42383	0.3
735.43079	0.8
764.92383	0.2
941.46936	1.5
983.48462	0.4
1103.52722	0.9
1163.54773	100.0
1164.55127	23.7
1170.91614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1166.522
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	1.3
85.02942	4.1
86.00107	0.2
87.00864	1.9
89.02437	4.3
89.76573	0.2
91.03344	0.1
93.03470	0.2
95.01376	2.9
96.99294	0.3
97.02960	0.8
97.06560	0.2
98.20526	0.3
99.00877	1.3
101.02437	7.8
105.71704	0.2
109.02940	0.2
111.00856	0.3
112.01646	0.5
113.02444	8.1
114.02751	0.2
119.03476	1.9
125.02444	0.4
129.01945	0.4
131.03496	2.9
137.02415	0.3
139.00362	0.7
140.40642	0.2
143.03482	0.9
149.04539	0.3
157.01407	0.5
159.02998	0.7
161.04536	4.6
179.05582	1.8
183.86787	0.2
190.25044	0.1
221.06624	6.2
221.08774	0.3
222.07048	0.2
246.95636	0.2
263.07593	0.3
266.01901	0.2
268.58841	0.2
328.76807	0.2
405.28033	0.2
421.31180	0.6
423.28210	0.3
423.33029	0.3
425.30576	0.2
439.32132	4.6
440.32513	0.4
441.33682	2.4
442.34265	0.2
453.30423	0.2
485.32605	0.5
509.36063	0.2
528.22308	0.2
537.35974	0.5
539.34131	0.2
631.11072	0.2
779.42950	0.3
923.45734	0.5
941.47974	0.3
1103.52710	100.0
1104.52869	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	1167.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96511	2.8
91.05551	0.1
93.03448	0.6
95.95166	0.1
96.96013	0.3
108.02198	0.3
109.02941	2.3
110.97577	0.0
111.04523	0.1
119.05008	0.2
121.02947	5.4
122.03738	4.9
123.00881	0.1
123.04549	0.7
124.01652	0.6
125.02434	0.1
129.03464	0.4
130.04211	0.1
134.03731	0.4
135.04509	1.0
136.01668	0.1
136.05280	0.6
137.02434	1.3
137.03493	0.1
137.06068	0.1
138.03221	0.0
146.03731	0.3
147.04512	3.5
148.05321	0.4
149.06078	0.5
150.03226	0.2
151.04005	0.1
153.01933	0.1
154.02718	0.6
159.04497	0.2
159.08043	0.1
160.05267	0.1
161.06049	0.9
162.06856	0.2
163.03999	0.2
163.07532	0.1
164.04810	0.3
165.05553	13.2
166.05876	0.4
167.00189	0.1
168.04251	0.1
173.02367	0.1
173.06056	0.2
175.07664	0.2
177.05537	0.1
178.06328	0.3
179.07123	4.5
180.07556	0.2
187.03891	0.1
190.06340	0.0
191.07121	0.3
193.08682	0.2
203.39964	0.0
205.08624	0.1
208.07416	0.1
209.08221	0.5
216.00940	0.2
221.08176	0.1
223.09772	0.5
227.03450	0.2
229.05060	0.1
229.76311	0.1
239.03278	0.1
247.99777	0.1
255.02969	0.4
261.58426	0.0
271.02554	0.1
271.09732	0.0
283.09665	0.1
284.03317	0.4
285.04037	0.7
285.11118	0.2
287.05856	0.1
287.09384	0.1
297.11209	0.1
298.12149	0.4
299.12527	0.1
300.02579	0.1
301.03497	0.1
301.10779	0.3
303.05399	0.1
313.14392	0.6
314.14996	0.1
315.12378	1.7
316.12955	0.4
317.13773	0.1
328.13205	0.1
329.13947	0.1
331.11765	0.1
331.15485	0.2
343.15460	0.3
344.12839	0.1
345.13428	0.2
346.14166	5.9
347.14536	0.4
361.16519	33.6
362.12357	0.1
362.16876	2.1
397.09756	0.1
426.09848	0.6
427.09811	0.1
440.11108	0.0
441.12186	100.0
442.12497	7.7
443.12750	0.1
463.08862	0.1
725.19263	0.9
726.19519	0.1
776.02643	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1168.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03481	0.1
83.01384	1.3
85.02944	3.6
86.00069	0.3
87.00870	2.2
89.02436	4.2
93.03443	0.1
95.01380	3.0
96.01730	0.1
96.34801	0.1
96.95995	0.2
97.02922	0.7
99.00876	1.2
100.29373	0.1
101.02439	6.7
109.02936	0.2
111.00878	0.4
112.01627	0.6
113.02446	7.4
119.03491	1.8
125.02435	0.3
129.01907	0.3
131.03494	2.8
137.02386	0.4
139.00342	0.8
143.03505	0.8
149.04489	0.2
157.01382	0.5
159.02971	0.4
161.04539	4.5
163.00383	0.1
179.05609	1.5
221.06645	6.1
222.07048	0.2
229.85736	0.1
249.05995	0.2
254.83571	0.2
263.07684	0.3
291.68375	0.2
373.25311	0.2
389.28357	0.2
407.29196	0.3
413.52719	0.1
421.31140	0.3
423.32968	1.2
425.34451	0.1
439.32022	1.2
441.33722	4.3
442.33884	0.4
443.35388	0.6
487.34467	0.3
511.37939	0.4
539.37091	0.3
541.35162	0.3
603.98657	0.1
669.20459	0.1
763.41870	0.2
776.02917	0.2
781.43958	0.3
925.47620	0.6
926.48450	0.1
943.49756	0.3
1105.54248	100.0
1106.54480	17.4
1150.03992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.93568	0.4
70.28935	1.7
73.02941	100.0
74.03266	2.5
82.64985	0.5
92.81669	0.5
99.00880	9.4
99.22337	0.5
116.92834	0.9
117.01936	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	1171.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02935	0.1
96.96003	100.0
97.95953	0.2
97.96470	0.0
101.02451	0.1
113.02438	0.1
143.44640	0.0
161.04504	0.0
221.06787	0.1
353.62277	0.0
425.60367	0.0
439.32272	0.1
678.38184	0.0
1073.52124	0.7
1074.52380	0.1
1111.46655	0.2
1171.48267	5.5
1172.48621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03442	0.1
83.01379	2.2
84.02163	0.1
85.02945	5.9
86.00078	0.5
87.00874	2.9
89.02441	4.8
93.03460	0.2
95.01384	4.3
96.01758	0.1
96.95989	0.3
96.99303	0.3
97.02940	0.9
97.06568	0.1
99.00250	0.1
99.00874	2.0
101.02438	9.0
102.02766	0.1
109.02931	0.4
111.00857	0.7
112.01672	0.8
113.02444	10.0
114.02767	0.1
115.03996	0.1
117.07295	0.1
119.03497	2.2
125.02442	0.6
127.03896	0.1
129.01936	0.3
131.03502	3.9
137.02437	0.5
139.00375	0.9
143.03476	1.1
149.04507	0.1
157.01399	0.5
159.03032	0.7
161.04547	5.6
165.01877	0.1
179.05603	1.4
205.03423	0.1
209.11732	0.1
221.06651	6.1
222.06979	0.1
263.07663	0.4
284.26016	0.1
329.75500	0.1
375.26758	0.1
405.27878	0.2
421.31097	0.2
437.30313	0.1
439.32178	0.2
447.28851	0.2
453.29877	0.1
463.32239	0.4
467.31500	0.1
479.31644	0.2
481.12402	0.1
481.33356	0.2
483.34799	0.1
489.59518	0.1
511.34241	4.8
512.34686	0.4
513.36017	0.2
557.34906	0.2
581.38312	0.3
609.38153	0.4
611.35889	0.2
743.70587	0.1
789.44812	0.2
815.42279	0.2
851.44293	0.2
995.48218	1.6
996.49091	0.2
1013.49280	0.3
1103.52625	0.2
1113.57043	0.1
1175.54749	100.0
1176.55090	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	1177.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	1.8
85.02941	5.1
86.00123	0.3
87.00880	2.7
89.01918	0.4
89.02440	4.7
95.01378	3.5
96.95982	0.3
96.99340	0.2
97.02951	0.7
99.00878	1.5
101.02439	7.8
109.02899	0.3
111.00864	0.4
112.01661	0.4
113.02445	8.7
119.03503	1.8
123.04537	0.3
123.98701	0.2
124.80458	0.2
125.02428	0.4
129.01935	0.2
131.03485	3.3
137.02420	0.6
139.00375	0.6
143.03520	0.9
157.01422	0.4
159.02985	0.8
161.04533	4.9
161.05856	0.3
165.01894	0.2
179.05566	1.2
195.58002	0.2
221.06641	5.8
222.06995	0.2
263.07697	0.3
269.98010	0.5
285.00305	0.6
297.97525	2.5
298.97940	0.4
312.99869	5.6
314.00281	1.0
327.98557	0.4
328.02228	5.4
329.02576	0.9
343.00397	0.4
343.04550	6.3
344.04889	0.9
370.51804	0.2
423.00293	3.8
423.32867	0.7
424.00562	0.7
456.97226	0.2
465.33789	0.3
495.34625	0.6
513.35809	3.0
514.35822	0.3
515.37378	0.3
611.39740	0.3
613.37482	0.3
997.49780	1.4
1177.56323	100.0
1178.56726	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	2.1
84.02163	0.1
85.02946	5.0
86.00092	0.3
86.03309	0.1
87.00871	2.6
89.02437	4.0
93.03455	0.2
93.40311	0.1
95.01380	3.5
96.01745	0.1
96.99300	0.2
97.02945	0.8
97.06568	0.1
98.20709	0.0
99.00884	1.6
99.04514	0.1
101.02438	8.0
102.02763	0.2
106.83936	0.1
109.02958	0.3
111.00888	0.6
112.01656	0.5
113.02442	10.5
114.02783	0.2
115.04008	0.1
119.03490	1.8
125.02424	0.5
127.04020	0.1
127.27168	0.2
127.29753	0.2
129.01929	0.3
131.03494	3.4
137.02440	0.4
137.09782	0.1
139.00356	0.8
141.01897	0.1
143.03490	1.2
149.04512	0.3
151.04095	0.1
155.03462	0.1
157.01405	0.6
159.03009	0.5
161.04541	5.2
162.04886	0.1
167.03511	0.1
179.05588	1.8
203.05580	0.2
205.03464	0.1
221.06638	6.9
222.06984	0.2
233.15578	0.1
257.06644	0.1
263.07706	0.4
299.47614	0.1
301.05795	0.1
323.09433	0.1
385.25067	0.1
387.27048	0.2
389.24945	0.1
395.29813	0.1
403.30099	0.4
404.30841	0.1
405.27679	0.4
407.29767	0.3
421.31079	1.1
422.31512	0.1
423.28171	0.2
423.33536	0.6
424.33142	0.1
425.30295	0.3
437.30170	0.1
439.32111	5.2
440.32568	0.6
441.33701	2.7
441.39868	0.1
442.33868	0.3
453.29953	0.2
459.34909	0.1
485.32721	0.6
486.33142	0.1
509.36163	0.3
537.35437	0.6
538.36365	0.1
539.34070	0.3
553.35535	0.1
555.36707	0.1
579.36646	0.1
715.76227	0.1
717.42517	0.2
743.40021	0.1
761.41327	0.2
779.42499	0.2
923.46545	0.8
924.46277	0.2
941.48157	0.2
1085.50964	0.5
1103.52661	0.7
1145.53699	100.0
1146.53943	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1182.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.5
85.02945	3.5
86.00098	0.3
87.00864	2.0
89.02435	3.9
95.01371	2.5
95.72045	0.1
96.99306	0.3
97.02945	0.7
99.00870	1.5
101.02438	7.3
101.58456	0.2
109.02974	0.2
111.00880	0.4
112.01671	0.4
113.02446	7.5
113.03248	0.4
114.02746	0.2
119.03490	1.1
125.02431	0.2
129.01897	0.2
131.03488	2.9
137.02415	0.2
139.00342	0.6
143.03542	0.8
157.01430	0.6
159.02945	0.5
159.86035	0.2
161.04536	4.3
179.05583	1.5
205.94565	0.2
221.06636	5.7
222.07053	0.2
319.06674	0.2
391.30069	0.6
407.33200	1.2
437.34543	1.0
455.35245	2.9
456.35959	0.2
457.36816	0.4
501.35428	0.3
525.39429	0.4
553.39008	0.4
795.47375	0.2
939.49982	0.5
957.52246	0.3
1119.55823	100.0
1120.55957	19.5
1144.52295	0.7
1145.56433	0.2
1182.53076	0.4
1183.49890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01379	2.8
83.96447	0.1
85.02946	5.6
86.00082	0.5
87.00865	3.5
89.02439	4.0
93.03453	0.2
94.63828	0.1
95.01383	3.7
96.01704	0.1
96.96002	0.7
96.99311	0.3
97.02953	1.0
98.95535	0.2
99.00882	2.0
99.04494	0.2
101.02434	8.8
109.02930	0.4
109.06815	0.1
110.55441	0.1
111.00871	0.6
111.44070	0.1
112.01638	0.4
113.02441	10.3
114.02781	0.1
115.04002	0.1
118.14230	0.1
119.03495	1.5
120.03854	0.1
123.00885	0.2
124.01587	0.1
125.02448	1.2
127.03956	0.1
129.01927	0.4
131.03500	3.5
137.02422	0.4
139.00378	1.1
139.03944	0.2
143.03499	1.3
149.04468	0.2
155.03497	0.3
157.01398	0.6
159.02948	0.8
161.04550	5.2
165.01846	0.1
179.05605	1.5
197.83037	0.1
203.05589	0.3
205.03598	0.2
221.06638	5.8
222.06955	0.2
235.92455	0.1
257.06699	0.1
263.07581	0.7
359.89169	0.1
385.07669	0.1
387.26627	0.1
403.30118	0.5
405.28107	0.3
407.29468	0.4
421.31174	0.9
423.27899	0.3
423.33447	0.6
424.33228	0.2
425.30542	0.3
439.32108	5.6
440.32599	0.5
441.33710	2.5
442.34064	0.2
453.30118	0.2
485.32693	0.3
509.36191	0.2
537.35718	0.4
539.33691	0.2
550.81146	0.1
717.42670	0.2
779.41901	0.1
923.46509	2.5
924.47150	0.5
941.46918	0.1
953.41675	0.1
965.47919	0.3
1025.51025	0.2
1041.53723	0.2
1065.30237	0.1
1127.52856	2.6
1128.52991	0.3
1145.53711	2.1
1146.54736	0.3
1187.54749	100.0
1188.55127	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	1.9
84.02109	0.3
84.31945	0.2
85.02942	4.9
86.00090	0.5
87.00872	3.0
89.02443	4.0
95.01382	3.3
96.96020	1.0
96.99292	0.3
97.02937	0.8
99.00874	1.8
101.02436	8.7
109.02929	0.4
111.00878	0.6
112.01679	0.4
113.02443	8.9
114.02712	0.2
119.03515	1.3
121.02971	0.2
125.02438	0.6
129.01927	0.4
131.03488	3.3
137.02415	0.3
138.82672	0.2
139.00323	1.1
143.03488	1.0
157.01404	0.7
159.02959	0.7
161.04550	5.2
165.01904	0.2
175.46198	0.2
179.05608	1.0
202.90169	0.3
221.06653	6.5
263.07690	0.4
403.30038	0.4
405.27887	0.3
421.31305	1.2
423.32797	0.9
425.30487	0.3
437.30457	0.2
439.32111	6.0
440.32529	0.7
441.33820	2.6
442.34232	0.3
485.32773	0.4
509.36621	0.4
795.44830	1.4
796.45459	0.6
852.70477	0.2
923.46259	1.4
1085.51245	0.3
1103.52637	0.8
1103.75830	0.2
1145.53760	100.0
1146.54016	25.1
1189.51978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95420	0.6
83.01377	2.5
84.95113	0.8
85.02946	5.2
85.03457	0.3
86.00087	0.4
87.00870	2.2
88.69640	0.2
89.02444	3.7
89.13895	0.2
95.01379	3.7
96.96001	0.5
96.99310	0.3
97.02934	0.6
99.00859	1.8
101.02439	7.5
109.02936	0.3
111.00894	0.5
112.01645	0.4
113.02439	10.4
116.72205	0.2
119.03522	1.9
125.02470	0.4
129.01938	0.3
131.03494	3.2
137.02440	0.3
139.00311	1.0
140.44153	0.2
143.03481	1.0
157.01396	0.6
159.03023	0.8
161.04549	4.4
179.05612	1.9
213.62704	0.2
221.06621	5.6
222.06889	0.3
263.07721	0.5
403.30020	0.4
405.27939	0.5
421.31018	1.0
422.31842	0.2
423.32755	0.7
425.30539	0.2
439.32065	5.3
440.32498	0.6
441.33710	2.3
442.34308	0.2
444.82724	0.2
485.32492	0.3
517.31958	0.2
537.35291	0.5
539.33325	0.2
923.46240	1.2
924.47375	0.4
941.48401	0.3
1085.51343	0.8
1103.52893	2.7
1104.54077	0.7
1117.54065	1.8
1118.54980	0.4
1145.53772	100.0
1146.54016	25.3
1189.54114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1197.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	1.9
85.02946	4.5
86.00093	0.3
87.00874	2.3
87.01377	0.2
89.02440	4.3
93.03469	0.2
95.01382	3.3
96.96000	0.5
96.99307	0.2
97.02935	0.7
99.00872	1.8
99.42329	0.1
101.02438	7.5
102.02769	0.1
109.02954	0.2
111.00879	0.6
112.01674	0.6
113.02446	8.4
114.02701	0.1
116.67590	0.1
118.22976	0.1
119.03493	1.7
125.02451	0.5
129.01942	0.2
131.02518	0.2
131.03499	3.4
137.02444	0.5
139.00374	0.9
141.01900	0.1
143.03491	0.7
149.04559	0.1
151.03925	0.1
157.01399	0.6
159.03017	0.7
161.04550	5.1
165.05591	0.1
179.05605	1.7
200.85188	0.1
221.06644	5.7
222.07043	0.1
238.03398	0.1
263.07727	0.2
319.06641	0.1
400.92886	0.1
405.27954	0.3
407.29535	1.2
409.31024	1.5
410.31577	0.2
421.27319	0.2
437.30551	2.6
438.30878	0.3
439.32172	1.6
451.28137	0.1
453.29028	0.1
455.31677	0.3
497.32758	3.6
498.32971	0.4
499.34302	1.2
543.33636	0.1
567.36676	0.3
595.36536	0.3
597.33765	0.2
837.41937	0.3
981.46576	0.5
999.48492	0.2
1135.54321	0.2
1136.54407	0.2
1137.56506	0.6
1153.55933	0.1
1161.53223	100.0
1162.53540	19.6
1197.47595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	Ethyl 2-methylbut-2-enoate
Peak:m/z	Relative Intensity
71.01366	5.8
71.05013	4.4
71.61592	4.4
81.03429	5.3
83.01355	8.3
83.05019	13.6
85.02950	26.3
89.76419	3.2
99.00900	3.4
99.04507	4.4
109.02935	5.3
126.90411	100.0
127.00359	26.0
127.03147	3.2
127.04031	24.5
127.04810	5.0
127.07645	53.0
128.03528	25.2
128.07169	50.4
149.67546	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01876	14.2
57.03442	47.3
60.60965	4.1
63.98384	4.3
67.01888	100.0
68.99804	10.8
71.01366	5.3
71.07201	5.9
71.07511	5.6
72.99321	7.7
73.02933	4.8
83.01378	6.9
85.02941	23.9
88.04044	9.2
91.79198	5.0
92.13858	4.8
98.77181	5.6
99.00866	5.3
129.01932	21.4
129.05585	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01865	10.0
57.03445	60.0
61.72057	5.2
67.01884	100.0
68.99810	33.3
70.45847	17.9
71.01363	13.6
72.99310	8.9
73.02961	9.8
73.77682	4.5
83.01382	6.4
85.02950	28.1
87.00864	9.1
125.81823	4.6
129.01947	37.0
130.08745	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01377	1.1
69.59047	3.2
69.59462	2.9
71.01377	63.2
72.99307	14.9
80.72182	1.0
89.02431	7.4
98.20682	0.9
108.07607	0.8
115.00367	100.0
116.00693	2.2
133.01430	26.4
133.99954	0.9
134.01750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
65.02738	1.0
71.01376	63.2
71.06547	1.4
71.06901	1.7
72.99298	14.5
87.00912	2.2
89.02446	8.4
91.29977	1.1
115.00368	100.0
116.00694	4.4
133.01427	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41991	1.0
59.01382	1.1
67.45506	1.1
69.52968	7.8
69.53303	1.7
71.01379	61.5
71.10016	1.0
72.01704	1.8
72.99306	13.4
87.00868	1.7
89.02431	6.9
98.19895	1.5
110.50160	1.0
115.00367	100.0
116.00674	3.2
133.01424	28.1
134.01848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
51.86197	0.3
55.01867	0.4
58.00588	0.6
59.01375	10.0
59.86956	0.3
69.92667	1.2
71.01377	5.6
72.99303	14.6
73.02942	0.6
75.00867	100.0
76.01206	1.6
79.95712	0.5
85.02936	2.0
87.00872	1.5
89.02442	9.6
98.19943	0.5
107.05006	0.8
111.66766	0.3
117.01923	2.7
129.74312	0.3
134.03719	0.9
135.02992	33.0
135.04501	6.0
136.03320	1.0
136.93982	0.6
151.92676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0404
Annotation	salicylamide
Peak:m/z	Relative Intensity
62.20427	0.6
64.01917	2.1
65.03951	2.7
65.13383	0.6
66.03490	0.6
67.01888	1.2
69.61139	4.1
71.31045	0.6
74.99107	1.6
81.03460	1.7
86.03290	0.9
92.05065	3.8
93.03453	100.0
94.02946	1.8
94.03834	0.8
106.04219	0.8
108.02161	5.9
108.04562	1.6
108.05354	1.3
109.02969	5.6
118.17775	0.6
119.01342	0.9
119.05022	1.1
122.03751	0.9
135.89508	1.9
136.01765	6.9
136.04021	83.7
136.04855	6.0
136.86264	1.7
136.89200	3.1
137.02437	72.5
137.04344	3.8
137.06015	7.6
154.21748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
52.12510	0.3
65.03963	0.7
66.88692	0.3
67.83778	0.3
69.75660	0.5
69.76067	1.3
83.03131	0.3
89.35880	0.3
90.92235	0.3
93.03455	100.0
94.03788	3.6
98.20642	0.5
108.02187	0.5
137.02438	20.6
138.01917	0.6
138.02856	0.8
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
62.05882	0.3
67.01884	0.7
72.00167	0.3
80.31332	0.4
92.11030	0.3
93.03454	0.6
94.03805	2.4
94.98110	0.4
95.01407	0.3
95.05038	0.4
108.02172	53.6
109.02484	2.1
111.00890	2.0
123.54450	0.4
138.01971	100.0
139.00352	0.9
139.02318	5.1
139.04005	1.0
139.05861	0.4
143.93422	0.4
150.86627	0.3
157.45177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
50.90502	1.0
55.01878	2.2
60.60325	1.1
66.03500	1.1
67.01889	3.8
79.95722	2.8
83.01380	4.0
88.64275	0.8
93.03469	2.3
94.02973	3.2
94.03774	11.2
94.98077	2.8
95.01397	2.6
95.05022	6.8
96.04537	2.2
96.96005	4.2
101.47846	0.9
108.02148	4.9
110.02515	0.9
110.03300	1.3
110.92970	1.0
111.00877	11.3
111.04501	1.1
120.04528	1.4
122.02435	1.2
123.00887	11.8
123.03258	100.0
124.01643	4.1
124.03590	3.7
131.90396	1.1
136.00415	1.0
138.01939	13.2
138.02818	9.3
138.05600	75.4
139.00391	7.0
139.04041	6.6
139.05931	2.8
147.02588	1.2
157.42906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0658
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.51519	2.5
54.00212	2.1
54.10199	2.1
55.01887	4.0
57.03430	7.0
59.01365	8.8
60.01713	2.4
69.03450	7.0
71.01375	44.5
71.05005	3.7
73.02934	5.0
81.03443	7.2
83.01390	4.2
85.02946	26.6
87.00870	6.2
87.04508	4.1
97.02954	10.4
98.06110	2.4
99.00885	2.6
99.04478	4.6
100.04043	5.3
113.02424	5.1
115.03954	3.0
125.02448	13.2
142.04115	4.2
142.05029	14.7
142.06615	100.0
143.03529	15.6
143.06990	9.1
143.10796	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27943	2.2
53.00304	14.8
56.65425	1.9
59.01365	5.8
60.25811	1.9
68.99818	5.0
69.03468	2.3
69.66190	13.1
69.66526	3.0
71.01382	38.6
72.99329	2.5
80.99817	7.7
81.54110	2.0
85.02928	3.0
87.00864	8.3
96.99303	17.7
98.20512	4.6
112.98813	24.3
115.00373	5.6
124.98804	44.1
130.86165	2.0
140.98322	12.4
142.99852	100.0
144.00185	4.2
147.67632	2.0
149.41689	2.0
155.49171	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	14.6
53.95327	2.9
54.74855	2.7
57.28099	3.0
57.46364	3.1
58.64219	3.4
59.01374	4.4
64.34232	3.6
68.99818	4.3
69.57000	2.9
69.86024	19.7
71.01382	37.9
76.92384	3.5
79.54728	3.3
80.99812	6.8
87.00883	9.0
96.99313	16.4
112.98806	24.3
113.70118	3.1
115.00423	4.7
124.98785	50.4
129.42427	3.0
138.78767	3.0
140.98320	9.5
142.99861	100.0
143.97736	2.9
144.00095	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	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03423	23.4
59.01379	9.0
70.06374	22.5
71.01369	20.1
72.99276	6.2
73.02934	17.9
83.01382	11.7
87.00836	15.3
98.20235	16.9
101.02437	100.0
102.05589	46.1
104.56807	4.9
115.00352	21.6
116.82117	5.7
127.00288	7.1
128.03506	15.2
145.01401	18.7
146.04565	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	145.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34087	14.2
61.98819	28.6
62.16010	13.2
65.99808	20.4
70.91545	15.4
70.91882	28.2
83.01386	35.4
83.05033	27.0
85.92797	12.2
91.14310	13.0
98.48415	12.9
101.06078	17.0
118.03024	11.3
118.03328	13.3
118.04099	100.0
118.96091	12.7
144.96468	35.8
145.05112	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
54.40551	0.5
59.01379	0.5
61.51398	0.5
67.77263	0.5
70.56267	0.6
70.91938	0.8
70.92268	0.5
71.01371	0.6
72.99271	0.7
76.51328	0.5
83.05031	0.7
97.06576	2.3
99.08153	100.0
100.08477	3.3
101.06030	0.5
101.28970	0.5
118.02988	0.7
121.93186	0.5
127.07658	0.9
143.07182	1.2
144.96410	0.9
145.02879	0.6
145.04988	1.3
145.08704	57.6
146.02541	2.4
146.09047	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	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72496	0.7
59.01368	2.7
66.05816	0.7
67.29254	0.9
67.76397	0.8
67.94434	0.7
70.90732	0.7
71.01376	4.5
71.57198	1.0
72.82999	0.8
72.83416	0.9
74.02458	1.0
75.00854	1.4
77.45110	0.8
84.04546	1.7
85.02903	1.4
99.00871	1.9
102.05605	100.0
103.05936	2.6
128.03532	45.4
146.04597	20.6
152.15044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
52.46793	1.3
57.03437	4.9
57.72124	1.5
59.01379	8.0
70.69351	3.2
70.69673	1.7
71.01379	94.9
71.05010	3.3
75.00859	1.8
76.85336	1.4
85.02945	19.0
87.00871	19.9
87.59261	1.4
99.00875	3.0
101.06071	9.2
103.04005	12.2
115.00372	100.0
116.00741	3.2
129.01926	7.9
147.02988	17.1
147.06650	9.1
169.27959	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	147.0451
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
57.03439	5.3
59.01377	48.3
71.01381	100.0
71.61798	3.4
72.99290	6.0
75.00857	15.9
83.01383	3.5
84.99328	5.2
85.02934	6.3
89.02460	8.1
99.00872	56.6
101.02448	3.5
116.10967	3.4
119.05036	8.8
129.01999	7.7
139.43449	3.6
144.01169	3.5
147.02975	11.5
147.04485	48.5
148.04010	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
54.79380	2.0
55.01877	6.7
57.03438	9.4
58.00592	2.6
59.01376	53.3
62.15258	1.9
66.29305	1.7
68.99821	5.5
71.01379	100.0
71.60098	2.5
72.01720	2.5
72.99329	10.4
75.00857	20.0
76.15114	2.2
83.01386	3.7
84.99314	6.4
85.02964	6.5
87.00883	6.2
87.99733	1.9
89.02448	9.1
93.10422	1.7
99.00881	45.2
101.02474	9.5
101.06126	2.6
103.05517	3.2
108.24455	1.9
111.00856	4.3
113.88030	2.0
119.05000	12.8
129.01932	8.4
147.01982	3.9
147.02985	12.7
147.04514	64.9
147.06572	2.9
148.04915	4.5
167.23692	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	147.0663
Annotation	2-(2-methoxyethoxy)propanoic Acid
Peak:m/z	Relative Intensity
50.44070	3.8
51.69132	3.4
53.80335	3.8
55.63541	3.2
57.03451	20.5
59.01378	28.3
70.11443	7.7
70.11841	8.0
71.01383	82.9
71.05009	14.1
72.99301	15.5
75.00868	12.3
85.02941	20.5
87.00877	28.0
99.00867	13.6
100.38606	3.8
101.06054	16.9
103.04008	6.9
111.35815	3.6
115.00358	50.6
116.31356	3.7
126.68871	4.0
129.01869	10.0
147.02972	12.3
147.06612	100.0
159.01820	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	149.0454
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
59.01372	11.3
66.47663	1.0
69.03441	1.7
69.63903	7.1
69.64213	2.2
71.01379	28.1
72.99289	1.4
73.02945	17.6
75.00877	1.7
85.02928	2.9
87.00878	11.2
87.91969	1.2
89.02441	100.0
98.19923	2.4
101.02443	1.5
103.04016	4.8
126.05821	1.2
130.78337	1.0
131.03499	16.5
149.04550	58.7
150.04872	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	149.0455
Annotation	L-Arabinose
Peak:m/z	Relative Intensity
57.81462	1.2
59.01375	10.9
69.03445	2.6
71.01376	32.1
72.99310	1.5
73.02941	21.5
75.00871	2.1
79.63532	1.2
85.02945	1.8
87.00861	12.8
87.46827	1.1
89.02441	100.0
101.02434	1.9
103.03994	7.4
103.12000	1.0
115.14051	1.1
131.03485	16.5
132.99641	1.2
149.04549	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.3
65.07341	1.1
69.03465	2.6
70.10326	2.4
70.10717	2.1
71.01378	29.1
72.99315	1.8
73.02943	23.5
75.00868	3.1
78.01121	1.0
85.02961	3.3
87.00879	11.8
89.02440	100.0
99.75034	1.1
101.02426	2.6
103.04041	7.0
104.75261	1.1
131.03502	15.9
149.00836	2.0
149.02563	2.6
149.04550	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0558
Annotation	Acetaminophen
Peak:m/z	Relative Intensity
50.41641	0.1
55.01884	0.1
59.01368	0.4
63.02370	0.2
63.96229	0.3
66.07200	0.1
70.72267	0.1
71.01367	0.7
71.58576	0.2
72.59357	0.1
72.99362	0.2
73.02953	0.1
79.95753	0.2
81.03446	0.2
85.02935	0.1
89.02454	0.4
91.15744	0.1
93.03465	0.2
94.02983	0.2
95.01384	0.4
100.09866	0.1
101.02428	0.4
107.03788	1.0
107.05032	1.2
108.04552	100.0
109.02943	0.2
109.04208	0.2
109.04876	2.8
121.02972	0.4
122.03268	0.2
122.03731	0.2
122.06062	0.2
123.00906	0.5
123.04531	2.0
132.04553	0.5
135.22261	0.2
136.01659	10.6
150.00200	0.9
150.03006	0.5
150.05606	4.6
150.06805	0.2
151.00534	0.4
151.04001	4.6
151.06088	0.5
151.07626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
56.51199	0.5
65.03632	0.9
65.03963	15.3
66.03501	0.5
67.01887	7.7
67.03814	0.6
69.78490	1.9
81.03453	1.5
86.60067	0.4
89.02444	0.9
91.01891	3.8
95.01374	0.6
95.05072	0.5
107.17926	0.4
108.02172	1.8
109.02948	100.0
110.00105	3.1
110.03267	3.1
111.04546	0.5
118.99023	0.4
123.00867	2.8
123.04526	23.3
124.01637	0.5
124.04038	0.5
125.02449	2.3
135.00887	26.6
135.04526	0.8
136.01237	0.9
137.99608	4.1
138.03278	1.1
151.00381	0.7
153.01936	79.8
153.05530	5.5
153.07538	1.0
153.09142	0.6
154.02298	1.9
154.05151	0.5
166.58385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0322
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
55.05877	0.2
65.03955	0.4
66.03488	0.5
67.03812	0.4
68.99797	0.2
69.03454	0.3
70.05624	0.2
70.05967	1.0
70.82574	0.2
71.01380	0.7
78.95898	100.0
80.96510	1.4
81.03440	1.4
82.02985	0.3
83.01339	0.5
83.66246	0.2
85.02966	0.4
89.02447	1.3
93.03465	0.2
95.01379	0.3
95.05040	0.4
96.96343	0.2
96.96949	0.7
97.02931	0.5
98.02478	0.2
104.19678	0.2
107.01402	0.3
107.04980	0.2
108.02169	1.8
109.02943	8.4
109.06581	0.7
110.00078	2.2
110.00737	0.2
110.92619	0.4
111.04520	0.4
122.03733	0.4
123.00856	0.3
123.04517	14.1
124.01619	0.3
124.04037	0.3
125.00084	50.9
125.02434	2.0
125.06004	0.3
126.00406	0.3
135.04530	0.8
136.03983	0.3
137.99574	2.7
138.02206	0.2
151.00357	0.5
152.91730	0.3
152.98607	0.7
153.01936	6.5
153.03215	11.2
153.05513	3.5
154.05078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35225	0.2
57.03446	0.4
59.01371	1.5
63.34651	0.2
68.99810	0.3
69.03445	0.8
70.67056	0.2
70.96266	0.3
70.96620	0.3
71.01366	0.4
77.80316	0.2
79.95731	17.1
84.99295	0.6
85.02920	0.2
93.03452	17.7
94.03780	0.4
95.05003	0.3
99.00877	0.8
113.06074	0.7
114.05602	0.5
115.00332	0.2
115.05934	0.6
116.07148	0.5
124.98782	0.2
127.00369	1.2
129.05556	0.2
145.55795	0.2
156.89423	0.4
156.99635	100.0
157.04967	1.0
157.08676	1.5
157.12277	0.9
157.99974	2.6
158.08083	0.2
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
50.92553	0.3
53.83842	0.3
55.01880	0.5
57.03452	1.0
59.01377	7.3
67.01886	0.4
67.05507	0.3
67.55413	0.4
68.99812	1.0
69.03455	1.0
69.60084	0.4
71.01376	1.9
71.58113	0.6
72.99303	0.5
75.00874	0.5
83.01382	0.5
83.05016	0.7
83.28780	0.3
84.99314	8.2
85.02960	2.0
87.00887	1.0
95.05021	1.4
97.02959	0.5
97.06542	0.5
99.00874	3.1
111.00877	0.6
111.08144	1.4
112.98794	0.5
113.06084	100.0
113.09722	1.6
114.05629	0.7
114.06379	3.1
115.00375	1.2
115.05923	0.5
124.98823	0.6
127.00372	5.7
128.98320	1.7
129.10193	0.4
139.00374	0.4
139.07661	0.8
156.89471	1.5
157.01431	1.7
157.05054	12.3
157.08690	9.8
157.11357	0.4
157.12341	4.6
158.06117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65322	0.1
56.24252	0.1
57.63871	0.1
59.01369	0.4
62.32817	0.1
69.24380	1.1
71.01374	0.6
72.99319	0.1
73.02959	0.6
73.73214	0.1
80.68497	0.1
85.02944	0.3
86.02444	0.2
87.00853	0.3
95.05022	0.3
97.06574	1.4
99.00875	0.3
99.92622	0.3
101.02435	0.3
111.00890	0.5
111.27695	0.1
113.02439	0.2
114.94972	0.1
115.03015	0.5
115.07648	0.5
116.92844	0.8
129.01929	0.6
130.04083	0.2
131.02489	0.1
132.08571	0.1
143.67355	0.1
158.03586	100.0
159.02870	0.5
159.04050	3.1
159.06622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0454
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01880	3.3
57.03445	21.1
57.44862	1.7
58.00594	2.9
59.01378	89.3
69.03458	3.6
71.00195	3.8
71.01380	68.4
71.05016	23.4
72.99302	10.0
73.02941	67.2
75.00850	2.0
79.38087	1.6
81.03448	13.6
83.01379	23.5
84.02144	2.6
85.02946	100.0
87.00875	44.3
87.01427	1.8
89.02441	24.4
95.01387	6.0
97.02925	7.6
99.00863	2.8
99.04514	34.6
101.02424	14.5
105.40381	1.8
113.02441	12.9
115.03996	12.4
117.05566	16.9
125.02457	2.3
128.15970	1.6
131.03494	51.2
143.03490	43.1
161.04546	67.1
161.05881	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01377	1.6
63.96240	1.4
69.33605	0.6
70.16888	0.8
70.17269	1.0
70.80709	0.6
71.01380	1.1
72.00907	36.9
73.02956	0.5
75.00867	1.2
77.03949	0.8
86.12556	0.5
87.00874	14.7
91.05540	2.1
92.05048	0.6
93.03448	1.3
98.43861	0.5
98.86242	0.5
99.00887	1.9
101.02419	0.6
103.05521	4.9
105.01929	12.6
107.01759	0.6
118.06668	0.5
119.05017	2.8
120.05354	4.1
121.02950	15.4
135.02959	0.6
137.02426	1.1
146.06123	1.0
147.04509	100.0
148.04832	3.6
150.03238	5.0
164.07152	53.0
164.83571	1.2
164.89598	0.7
165.01907	2.0
165.04045	10.5
165.05423	1.4
165.07487	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	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01373	0.8
69.79978	1.6
71.01366	0.6
75.00887	0.6
77.03963	2.0
81.31210	0.3
87.00876	5.2
91.01861	0.3
93.03446	1.8
99.00857	0.5
101.02373	0.3
105.01929	4.5
108.02203	0.4
119.04955	0.4
121.02949	100.0
122.03217	2.3
123.04535	0.5
137.02435	1.0
147.02969	0.7
147.04515	0.4
149.00928	0.6
150.03221	1.4
164.83582	1.7
164.89548	0.6
165.01915	10.4
165.04045	3.3
165.05565	1.8
168.95216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
59.01376	5.8
65.87882	0.5
71.01374	6.0
71.05328	1.2
72.99314	4.5
73.02945	3.3
75.00873	6.6
85.02954	0.6
87.00874	100.0
88.01221	1.1
89.02425	2.5
96.54911	0.5
99.00874	11.5
101.02436	3.9
105.01932	79.1
106.02338	0.7
117.01919	3.1
119.03466	0.8
129.01930	0.5
134.32010	0.5
135.02982	2.0
147.02997	8.9
165.04033	61.6
166.04282	0.7
169.97760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
50.57529	0.4
59.01398	0.9
65.00354	0.5
67.01903	0.4
69.28583	0.8
69.28992	2.8
71.01425	0.9
72.35471	0.4
72.99305	31.7
73.02987	0.4
74.62228	0.3
75.00895	0.4
75.47867	0.4
77.03986	0.9
87.00874	5.7
87.01350	0.4
88.86311	0.4
89.02460	0.7
91.05541	1.1
93.03492	1.3
98.20586	0.9
99.00876	1.0
101.03992	1.2
103.05532	3.4
105.01936	5.8
117.03475	0.5
119.05021	34.3
120.05370	1.5
121.02947	14.9
121.06573	0.4
121.61681	0.4
122.03332	0.5
135.04536	0.6
137.02393	2.5
147.04512	100.0
148.04845	4.3
149.00867	0.5
150.03233	1.7
151.00352	0.9
164.89755	0.4
165.01938	2.5
165.04059	3.6
165.05540	35.6
166.05872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	Tetraacetic acid lactone
Peak:m/z	Relative Intensity
55.01873	7.3
60.96115	1.5
67.01882	1.7
68.99823	1.7
69.03449	5.2
69.23525	5.2
69.23949	11.0
71.01344	1.9
71.05007	12.7
74.01159	1.5
75.82491	1.4
80.02682	3.2
81.03448	82.4
83.01379	14.5
84.02187	3.9
93.03452	1.8
95.01390	3.5
95.05022	40.4
97.02940	51.7
99.04511	89.2
100.04880	1.9
103.36965	1.6
105.03477	2.4
108.02176	13.5
123.00887	3.2
123.03712	1.1
123.04520	32.2
124.01632	3.0
125.02440	25.2
139.04001	44.1
149.02457	3.1
152.01129	27.5
167.03479	100.0
168.03789	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	168.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60436	0.2
55.06879	0.3
58.02972	100.0
61.98827	1.3
63.57354	0.3
64.20867	0.3
68.99809	0.3
70.02963	0.8
70.11734	0.5
70.12148	0.9
71.45173	0.3
72.12481	0.3
81.03462	0.3
81.76851	0.3
82.95430	1.5
87.00772	0.3
97.02904	0.4
102.93265	0.3
107.05067	0.3
108.04510	0.4
124.04835	0.5
125.02464	2.9
125.09748	0.5
126.90402	0.3
151.11250	0.5
153.01532	0.3
168.06654	0.4
168.13902	10.9
168.83488	0.4
169.01366	1.1
172.19785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0093
Annotation	Diethylthiophosphoric acid
Peak:m/z	Relative Intensity
56.33056	0.3
57.03424	0.4
59.01363	1.5
65.00311	1.1
65.89702	0.4
67.01882	0.7
68.99819	0.7
69.03451	4.5
71.01371	2.8
71.06077	0.7
71.06412	0.4
78.95901	1.2
79.01876	0.6
79.95730	5.0
80.96508	0.8
81.03443	1.7
83.01389	1.3
83.05087	0.4
85.02940	0.6
87.00884	0.7
89.84623	0.4
94.93618	100.0
95.01380	1.4
95.05010	0.4
96.96005	6.7
97.02953	4.1
97.06606	0.6
98.02461	0.6
98.95587	0.4
99.00917	0.6
106.04228	0.4
107.01388	1.0
110.02512	0.5
111.00871	1.2
112.04102	0.4
113.02447	0.9
123.00882	1.2
123.04514	0.6
124.01670	1.1
125.02440	66.2
125.06066	2.1
125.09721	1.9
125.99593	2.1
126.02774	1.2
126.90334	1.1
128.07169	0.5
128.99213	0.4
133.02989	0.6
138.42726	0.4
139.00374	4.6
139.97104	0.5
140.97810	32.4
143.07193	0.6
150.97046	1.9
151.00345	3.0
151.03947	0.5
151.07635	0.8
153.01965	0.4
153.99103	1.1
154.02649	2.1
168.83624	2.1
168.98407	2.0
169.01242	34.1
169.05063	1.9
169.08595	1.7
170.01694	0.6
185.99907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
52.64065	0.2
57.03495	0.3
58.02982	1.4
59.01404	0.4
67.01888	1.3
69.74934	1.3
71.01405	0.8
72.47303	0.2
75.74857	0.2
82.06635	0.6
85.02958	0.4
93.03455	4.3
93.04007	0.3
111.00847	0.3
111.04553	0.9
111.08189	0.5
112.98811	0.4
127.64804	0.2
128.08046	0.2
128.10802	2.1
130.08734	100.0
131.09068	2.1
142.99858	0.4
144.04506	0.3
147.30310	0.3
172.09756	15.3
173.04578	1.7
173.08067	0.2
184.05618	0.2
193.67268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.73183	0.3
57.03442	1.9
59.01375	2.4
60.99307	0.6
67.01886	8.7
69.03445	1.0
71.01390	1.2
71.61544	0.4
72.99308	5.2
73.02956	0.4
83.01382	4.7
83.05017	3.5
84.01699	0.3
85.02947	17.6
85.06593	0.5
88.23595	0.3
93.03456	11.1
94.03755	0.3
99.00879	2.4
101.02439	2.9
109.06577	0.7
111.00877	100.0
111.04495	1.7
111.08152	22.4
112.01189	1.5
112.08479	0.6
112.98817	0.4
113.06089	0.5
119.01772	0.3
129.01952	2.5
129.09216	1.2
131.07138	1.7
140.01143	0.3
154.99857	13.4
155.07100	0.3
156.00262	0.4
173.00905	7.1
173.04579	1.9
173.08179	10.7
174.01282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00295	3.2
55.01876	8.2
57.03442	4.0
59.01379	8.8
67.01878	3.2
67.34956	1.1
68.99817	3.4
70.91140	2.2
70.91496	1.5
71.01377	100.0
72.99310	5.0
73.02941	9.5
80.99842	1.3
83.01381	9.6
85.02957	4.9
85.06573	3.3
87.00891	5.4
93.03458	6.9
96.99322	4.7
99.00872	40.4
111.00872	15.9
111.04515	4.0
112.98804	47.9
114.03726	1.2
115.00354	5.0
124.98795	24.0
129.01935	2.8
129.05595	1.3
131.08328	2.6
140.98271	1.8
142.99857	70.6
173.00879	16.6
173.04543	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	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43802	1.0
53.00297	2.8
55.01865	7.5
57.03432	3.5
59.01372	7.3
67.01874	3.3
68.99809	2.5
69.72151	5.0
69.72572	2.6
71.01378	93.0
72.99296	6.6
73.02917	6.4
79.45398	1.0
80.99803	2.6
83.01377	9.3
85.02930	4.6
87.00892	6.5
93.03461	5.3
96.99304	4.4
97.03027	1.0
97.03686	1.1
99.00880	39.8
103.32888	1.2
111.00874	6.1
112.98803	64.0
113.99152	1.1
115.00336	4.7
124.97929	1.8
124.98802	31.1
124.99709	1.7
129.01947	2.3
131.08229	3.4
140.98285	3.1
142.99850	100.0
144.00169	1.8
172.35980	1.1
173.00908	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	173.0817
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
59.01377	89.6
60.01712	0.5
62.16567	0.3
67.01884	2.3
69.03456	0.6
70.30385	0.7
71.01372	1.0
71.22992	0.3
73.02959	0.4
83.05021	0.5
85.06585	21.3
86.06916	0.5
86.92467	0.3
93.03455	8.4
98.20772	0.4
99.00914	0.5
104.64988	0.4
106.24897	0.5
111.00890	0.5
111.04527	1.2
111.08170	1.6
113.06088	11.1
128.93950	0.4
131.07137	100.0
132.07471	1.6
148.37161	0.4
153.23253	0.4
173.04602	0.5
173.08247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93861	0.8
57.03444	1.8
57.50757	0.8
59.01380	26.3
67.01884	3.0
68.02217	1.0
68.57442	0.8
69.27793	6.8
71.01380	41.3
72.99308	13.3
73.02936	1.3
76.98232	0.9
79.95700	1.2
80.96465	0.8
85.02950	18.8
87.00342	0.8
87.00867	15.5
90.64249	0.7
93.01307	0.7
93.03433	1.3
93.98507	1.0
94.03779	4.0
94.99299	3.2
98.20541	2.4
102.49524	0.8
102.99821	5.1
106.93044	0.7
111.00875	12.8
112.01265	0.9
115.00368	20.9
118.99292	3.7
121.00121	5.2
121.99025	3.5
128.99838	15.8
129.01974	3.9
129.49976	1.0
130.01184	2.2
130.99306	32.2
131.03737	2.3
131.99115	1.0
142.99582	22.0
143.49762	2.1
145.00865	26.5
146.01250	1.8
146.02371	1.3
146.98804	5.1
153.01360	0.9
154.99817	1.3
155.98572	1.0
157.00797	0.9
159.03249	5.6
159.99567	1.4
161.00337	5.0
164.99057	38.6
165.49231	3.1
170.98775	5.0
173.00322	4.8
174.00053	1.9
174.01907	1.9
174.05537	3.2
174.88963	1.7
174.98268	100.0
175.02425	5.2
175.98674	2.1
182.98851	1.4
186.98247	1.1
187.01889	1.8
188.60915	0.8
188.99834	22.3
189.96992	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
50.62808	0.5
53.06021	0.5
54.07749	0.5
57.03436	1.1
58.52546	0.5
59.01375	8.3
62.90371	0.4
69.73396	1.6
69.73804	0.9
70.50372	0.4
71.01382	1.7
75.00857	0.5
75.99245	0.4
76.57364	0.5
85.02955	1.4
85.06583	43.0
86.06940	0.5
87.00870	2.0
87.04506	1.6
113.06085	39.1
114.06406	0.8
115.00356	2.0
115.04006	100.0
116.04340	1.3
124.98824	0.5
129.05594	0.9
131.03511	0.8
131.07132	7.5
147.04489	1.0
157.05055	9.1
174.82684	0.5
174.88983	2.5
175.06108	59.0
176.06390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98306	0.1
59.01377	0.9
61.98832	0.8
64.82214	0.1
69.03452	0.1
71.01385	0.5
71.58018	0.2
73.56750	0.1
76.33260	0.1
79.95751	0.2
85.02965	0.2
87.00868	0.7
89.02424	0.2
95.95222	0.2
96.96005	0.4
99.00858	0.2
101.02468	0.2
117.01935	0.2
119.93680	0.9
125.02415	0.1
134.96086	41.4
135.04500	0.1
135.96158	2.0
136.94003	100.0
137.94069	4.3
138.94441	0.3
151.92709	14.8
152.92790	1.0
154.95081	0.2
161.04494	0.5
178.95052	68.2
179.05580	0.7
179.95157	3.2
196.96051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40909	0.2
59.01375	0.7
59.27097	0.2
63.53442	0.2
69.27830	0.2
69.52538	0.8
69.52959	0.5
71.01375	0.3
73.09101	0.2
83.55148	0.2
87.00849	0.4
96.95972	0.2
102.45768	0.2
110.41571	0.2
119.93736	0.7
134.96083	48.8
135.96158	2.4
136.94005	100.0
137.94080	4.5
138.94447	0.2
151.92712	14.7
152.92767	0.9
154.94984	0.3
161.04529	0.3
178.95055	70.6
179.05611	0.5
179.95178	3.4
184.26883	0.2
196.96120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.72942	0.9
55.01862	1.3
57.03429	3.1
58.00587	5.2
59.01377	100.0
59.06910	1.3
69.03462	1.7
69.71752	5.5
71.01379	80.5
71.05023	2.7
72.99300	15.6
73.02940	8.8
75.00869	92.7
80.22787	1.2
81.03456	8.2
83.01368	4.2
85.02950	26.0
87.00867	25.1
89.02443	44.5
95.01369	3.0
96.96005	4.8
97.02936	6.7
99.00887	10.8
99.04512	2.8
101.02445	10.4
113.02430	8.2
115.04056	1.2
117.01936	4.7
119.03518	1.6
125.02425	3.8
129.01938	1.4
131.03474	8.1
132.24625	1.1
136.93993	2.9
141.01930	2.4
143.03505	11.5
149.04533	1.1
161.04550	36.5
178.95058	2.5
179.05597	97.5
180.05884	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	181.0506
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
51.95341	0.7
55.01873	3.2
57.03434	1.6
58.00576	1.3
59.01378	42.8
68.43863	0.7
69.03461	1.4
69.63500	1.8
69.63898	3.7
70.98837	0.8
71.01379	56.3
72.99307	33.7
73.02941	11.8
74.61862	0.7
81.03439	0.9
83.01395	5.6
85.02942	11.0
86.00656	0.7
87.00872	0.9
89.02442	42.2
93.03454	6.5
95.01381	1.0
96.96023	3.8
97.02948	4.1
101.02438	44.2
105.13331	0.8
106.04314	1.0
107.05053	4.5
109.02954	1.4
109.06594	1.3
113.02459	5.7
115.03985	1.7
119.03634	8.8
119.05021	57.1
120.05312	1.2
121.02953	1.8
123.04524	1.8
125.02387	1.0
131.03531	4.3
134.03716	12.1
135.04524	85.1
136.04868	1.8
137.02451	1.8
137.06079	1.2
137.09688	2.7
138.03258	0.8
142.06583	3.3
149.04552	1.5
151.00365	5.0
161.04564	0.8
163.04007	100.0
163.06009	11.6
164.04410	1.9
166.02704	8.7
180.38168	0.7
181.01575	2.1
181.05048	81.9
181.07144	50.8
181.08548	2.4
182.05432	1.9
182.07275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
53.14815	0.2
65.00318	0.8
66.75430	0.2
67.01873	0.8
68.99814	0.5
69.51559	1.2
69.51971	0.5
70.41051	0.2
71.01379	0.7
72.99303	0.6
73.28578	0.2
82.00601	0.7
83.01378	1.2
86.00076	0.2
87.00860	0.4
95.01389	0.3
96.99314	0.4
98.19882	0.3
109.37363	0.2
110.00099	0.9
111.00881	6.1
112.44466	0.2
123.00880	0.8
124.01655	7.7
127.00354	2.5
136.98799	4.3
139.00369	6.1
139.03987	0.2
139.11188	0.3
140.01152	9.7
141.01657	0.3
151.00313	0.5
154.99855	0.7
168.00632	14.6
168.47522	0.2
169.00935	0.4
183.02971	100.0
184.03281	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	184.0614
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.03436	3.0
59.01390	6.5
59.28136	1.1
65.56133	1.3
68.99790	1.2
69.03460	1.7
70.50349	4.5
71.01405	1.8
73.02907	1.5
78.95914	2.6
83.01350	1.6
84.04526	2.7
85.02954	1.5
96.96010	12.5
96.96944	2.5
97.06567	2.4
98.02462	4.2
110.02454	1.9
111.04443	1.6
112.00426	1.8
112.04044	8.4
112.07718	3.0
112.35283	1.3
113.02417	1.5
113.06086	2.0
120.90272	1.3
122.06123	13.5
123.03252	2.2
124.04049	7.2
138.05608	100.0
140.07162	8.8
141.05566	3.5
141.09181	2.8
152.24911	1.3
166.05040	2.0
167.96480	1.1
169.00966	1.8
171.05406	1.6
184.06142	11.6
185.04625	1.8
185.11798	3.3
185.66222	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.2
59.01380	4.1
65.74881	0.5
67.01899	4.7
69.03442	0.7
70.77879	1.3
70.78224	1.1
71.01389	2.0
72.08417	0.6
73.02923	1.2
74.22652	0.5
81.03481	1.1
85.02537	0.4
85.02946	45.1
87.00872	51.3
93.03452	4.7
99.04505	0.9
101.02425	1.0
109.02912	1.2
111.00875	100.0
111.04494	2.1
112.01233	2.0
127.04007	3.3
129.01935	5.1
130.99881	1.2
147.02930	0.7
173.00893	3.3
173.04559	1.4
177.93669	0.6
191.01971	15.0
191.05595	79.4
192.05957	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03439	0.6
59.01377	7.8
66.45924	0.2
70.22315	0.2
70.50588	0.5
70.50973	0.5
71.01371	0.7
73.02945	1.0
83.01407	0.3
85.02949	4.4
87.00872	3.0
93.03461	1.0
111.00873	4.9
118.99309	0.3
119.05035	1.1
121.02953	100.0
122.03286	2.6
127.03983	0.4
129.01868	0.3
131.03503	1.0
135.04575	0.3
147.04517	6.2
147.05638	0.4
163.04030	0.8
176.01123	0.9
191.01955	0.6
191.03514	9.8
191.05611	9.4
192.03981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03442	0.6
59.01377	3.5
61.77898	0.2
67.01900	1.1
69.03445	0.8
71.01379	1.8
71.21066	0.3
73.02938	1.0
74.75191	0.1
81.03451	1.1
83.01389	0.2
83.05033	1.0
85.02946	23.2
86.03277	0.2
87.00867	5.1
93.03454	7.7
94.03815	0.2
99.00860	0.3
99.04523	0.9
105.28448	0.2
108.02185	0.2
109.02945	1.9
111.00890	0.5
111.04525	2.4
113.02454	0.3
125.02455	0.2
127.04000	3.8
137.02425	0.6
143.03506	0.2
155.03444	0.2
158.93269	0.2
171.02965	1.0
173.04500	1.5
186.52730	0.2
191.05597	100.0
192.05948	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	191.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01373	1.6
67.01880	1.4
69.93357	1.1
71.01376	1.2
73.02946	0.7
81.03466	0.3
83.05008	0.5
85.02945	16.9
87.00874	12.9
93.03458	3.4
98.20555	0.3
99.04506	0.5
101.02428	0.3
107.85461	0.3
109.02969	0.5
111.00874	34.4
111.04502	1.2
112.01228	0.6
112.98775	0.8
127.03996	3.3
129.01956	2.4
130.99791	0.5
135.66660	0.3
147.02943	0.4
155.03453	0.3
171.02968	0.5
173.00897	1.1
173.04544	1.1
191.02026	6.4
191.05592	100.0
192.05920	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00568	0.2
58.52700	0.2
59.01374	4.2
67.01887	1.2
69.03443	0.7
69.85683	0.9
69.86081	0.3
71.01382	2.5
71.05034	0.2
72.99313	0.2
73.02930	1.0
81.03452	1.1
83.01400	0.4
83.05014	0.9
85.02946	24.3
86.03270	0.3
87.00871	10.6
93.03455	7.2
97.02987	0.3
99.00864	0.3
99.04521	1.0
101.02430	0.3
102.17722	0.2
109.02959	2.0
111.00875	14.7
111.04514	2.7
112.98161	0.2
112.98829	1.2
113.02440	0.3
113.12855	0.2
123.98561	0.2
125.02427	0.2
127.04006	4.7
129.01932	1.0
130.99910	0.2
137.02400	0.4
145.21339	0.2
155.03465	0.4
171.02994	1.2
173.00919	0.3
173.04523	1.9
191.05595	100.0
192.05919	2.0
211.98792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
50.48291	1.1
56.71986	1.0
57.03427	5.4
58.00591	1.6
59.01376	30.2
61.49907	1.1
70.31693	1.3
71.01379	19.5
71.57323	2.0
72.99299	10.5
73.02952	1.4
75.00867	94.5
80.96529	1.5
83.01373	4.1
85.02926	8.1
87.00868	40.8
89.02442	13.8
97.02948	1.2
99.00876	10.0
101.02441	3.9
105.01928	52.0
107.01721	2.4
111.00880	5.4
117.01937	1.3
118.73138	1.4
129.01935	42.6
140.02237	1.3
141.01917	4.0
147.02988	17.9
149.04535	1.2
159.02992	12.6
177.04030	24.2
195.05081	100.0
196.05438	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.29805	0.5
56.88557	0.5
57.03419	0.6
59.01362	1.5
61.98819	2.3
64.71161	0.6
67.87099	0.5
68.99545	0.7
69.03444	1.9
71.01379	5.9
79.95733	0.6
81.03465	0.5
81.30906	0.6
83.05029	0.8
95.01390	0.8
103.97611	0.8
109.02917	1.1
112.01645	1.2
116.92831	0.6
121.02939	1.2
123.00896	4.7
123.04474	0.6
123.08068	0.7
126.90501	2.1
138.03214	1.2
138.27164	0.6
141.09169	0.7
151.11227	0.9
153.01939	0.8
153.05562	2.2
153.09190	2.8
153.12813	3.4
157.18065	0.6
160.84187	16.3
161.84276	1.1
162.83899	42.9
166.99866	2.6
169.12318	14.4
178.99695	0.7
179.10704	1.3
182.02217	8.4
182.05765	0.8
197.00821	0.8
197.04605	3.2
197.08168	3.0
197.11807	100.0
197.80779	29.3
198.12161	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	198.0772
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
59.01374	1.9
61.98832	4.8
62.33142	1.0
65.03531	1.0
66.03481	1.0
68.02520	1.6
71.01385	1.3
71.05030	2.2
71.57722	1.1
73.02934	1.3
83.05025	1.7
85.02937	1.0
86.34489	1.2
92.05058	1.9
95.05033	1.7
96.96025	1.8
107.05019	1.2
108.04559	3.3
110.06092	2.9
111.00878	2.0
111.04512	1.7
112.04025	1.5
113.02459	2.3
119.41484	1.0
121.05367	1.2
122.06119	4.4
124.07679	100.0
125.08017	1.9
127.03985	2.9
134.06091	1.8
136.07681	62.5
138.05602	5.5
154.05104	4.4
154.08685	2.8
155.07085	1.5
155.10812	2.6
156.89436	1.3
160.84259	2.7
162.83905	4.8
167.46262	1.1
168.06654	13.6
180.06648	74.8
181.06880	1.9
183.01653	1.3
197.80779	3.3
198.04100	3.5
198.07697	16.8
198.12027	1.7
199.06146	1.4
199.09695	1.6
199.13387	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	200.0927
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
55.01879	0.7
57.03444	2.5
59.01375	9.7
61.98832	0.9
71.01392	0.9
71.59014	0.6
72.04545	10.4
79.95784	0.6
83.01380	1.7
96.96003	1.8
99.04543	0.6
110.09713	1.0
120.05368	1.6
121.02920	2.0
126.09229	5.6
128.10812	100.0
129.10332	6.8
129.11203	2.2
140.01456	0.5
154.08730	36.5
155.09140	1.3
156.10278	40.0
157.10666	0.9
162.83899	1.6
164.83589	1.4
173.06056	1.1
177.55476	0.6
184.09399	0.6
199.80464	0.9
200.09264	36.7
201.02388	2.1
201.05663	1.1
201.07629	1.0
201.09480	1.3
201.11243	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	203.0195
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
50.42923	1.0
55.01866	1.2
56.35698	0.8
57.03434	3.7
58.99611	1.2
59.01375	8.9
60.99308	1.1
67.01874	2.3
67.66741	0.9
69.03450	47.3
69.50569	0.8
69.90192	0.9
70.03773	1.3
70.38746	2.1
70.39143	2.1
71.01375	39.4
71.05016	0.8
72.99307	7.7
73.02928	2.2
75.00864	5.0
75.86000	0.9
79.01884	16.5
82.06614	1.2
83.01368	1.6
83.92039	1.0
85.02938	8.9
85.06565	1.0
87.00880	9.6
95.01357	5.5
97.02944	78.3
97.06561	3.0
98.03264	1.5
98.19961	1.4
99.00868	2.8
100.04042	1.1
101.02428	1.2
104.97733	1.6
111.00887	3.7
113.02441	4.0
113.04406	0.9
114.05536	1.0
115.00388	8.5
115.03976	2.0
115.07629	2.1
116.05393	2.0
123.00886	3.3
125.02382	1.2
126.05637	1.5
128.90405	1.2
129.01945	4.6
129.05501	0.9
141.01927	20.9
141.05528	6.0
143.07147	1.9
157.03267	1.6
158.08145	1.2
159.02921	1.7
159.06631	1.1
161.08206	2.1
185.00861	1.6
185.04521	6.0
203.01962	100.0
203.05267	7.5
204.08727	2.1
206.83975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01378	47.6
61.98827	3.2
69.03455	2.1
70.24423	3.8
71.01357	4.8
72.00907	24.3
73.02936	1.5
74.02469	33.5
75.00856	2.8
85.02943	1.8
87.00873	1.5
95.05029	1.1
97.02934	1.9
97.06609	1.9
98.20595	1.0
99.00845	1.7
99.04538	1.6
101.02462	1.5
103.04646	1.0
103.92022	9.4
104.97766	3.5
112.98791	1.5
113.02433	2.5
115.07635	1.3
116.05064	100.0
117.01949	1.1
117.05413	2.6
125.02383	1.6
130.06589	2.8
130.94356	2.6
131.03563	1.6
131.05019	2.2
140.98289	1.2
141.05553	1.4
142.06618	26.1
143.07115	5.7
148.95395	1.5
150.39877	1.0
151.69049	1.0
157.07744	1.3
159.04469	2.2
159.09271	16.9
159.96686	1.2
160.04034	20.3
160.05354	1.2
160.89334	2.4
161.04790	1.7
161.08138	7.5
174.99173	1.7
175.04054	1.3
185.04556	1.3
186.05629	3.7
202.94144	2.7
203.03464	5.1
203.08275	73.7
204.03076	4.0
204.08562	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	203.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40912	0.1
51.37100	0.1
54.01316	0.1
59.01374	13.9
60.01707	6.1
61.01796	1.8
61.02085	0.1
61.98825	100.0
62.02111	0.2
62.98524	0.1
69.28711	0.7
69.29122	0.3
71.01373	0.2
72.99312	0.1
87.00883	0.2
93.06929	0.1
105.61914	0.1
115.00388	0.2
143.86502	0.5
145.01465	0.1
160.03625	0.6
161.01213	0.3
162.01672	0.4
198.05515	0.1
204.00020	1.2
204.02742	3.1
205.03004	0.2
205.16019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.08708	0.9
55.01870	3.7
57.03442	4.6
58.00597	1.4
59.01375	46.5
60.99298	1.5
67.01887	6.2
68.99818	3.7
71.01378	34.2
71.05013	1.8
71.58824	1.1
72.99306	24.1
73.02940	13.6
75.00868	14.5
77.87861	0.9
81.03468	3.4
83.00938	1.6
83.01375	8.6
83.05004	1.0
85.02949	7.5
87.00873	45.2
89.02419	5.3
96.58163	1.0
96.99305	3.0
99.00877	28.5
99.04507	6.1
100.98767	1.2
101.02449	12.6
103.00387	3.6
111.00875	100.0
112.01229	1.5
112.98804	39.1
115.00364	30.7
115.03992	2.5
117.01933	9.3
124.98816	3.7
125.02443	21.1
127.00383	2.8
129.01944	8.0
129.97203	1.0
131.25198	1.1
136.96545	1.0
142.99829	7.9
143.03500	10.1
145.01413	13.5
145.05038	3.2
154.99838	9.0
163.06110	1.7
173.00885	8.9
175.02417	2.7
187.02448	2.7
205.03490	13.8
205.07047	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20449	1.5
54.23166	1.6
55.01871	4.9
57.03440	4.4
59.01376	36.8
62.44838	2.0
68.99799	3.1
69.84859	9.2
71.01379	37.6
72.99301	19.0
73.02940	6.4
75.00864	12.1
83.01395	12.6
84.99302	2.9
85.02957	4.6
87.00868	10.5
89.02435	10.8
95.70121	1.7
96.99322	2.3
98.20129	4.8
99.00871	35.6
100.98767	2.7
101.02412	3.3
103.56319	1.7
111.00889	16.2
112.98805	100.0
113.99155	1.8
115.00370	29.3
117.01925	6.6
127.00377	4.9
129.01926	8.1
142.99838	7.2
145.01419	17.5
173.00848	9.8
175.02422	2.5
178.80495	1.6
187.66618	1.8
205.03464	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01373	1.1
61.98810	0.2
63.46437	0.1
69.59521	0.1
70.86613	0.3
71.01373	0.3
72.99305	0.3
73.02929	0.1
73.16525	0.1
75.00867	0.3
85.02953	0.2
87.00871	0.3
89.83795	0.1
98.71204	0.1
99.00886	0.2
101.02423	0.1
108.81212	0.1
115.00359	0.4
117.27789	0.1
123.51399	0.1
124.98843	0.1
139.92935	0.1
142.99834	0.2
145.01447	0.2
181.65971	0.1
189.12849	1.3
196.93719	0.1
205.15950	100.0
206.16295	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	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
57.03442	0.9
58.02972	100.0
59.01379	8.1
59.03287	0.7
60.83300	0.6
61.98859	0.7
70.02971	6.2
71.58433	0.8
71.58859	1.2
72.00905	2.6
75.00893	0.6
81.75423	0.8
91.05538	5.8
92.05037	3.4
103.05498	0.9
114.45135	0.7
122.31668	0.7
129.01976	1.1
136.04036	5.1
142.14909	0.6
147.04510	18.1
149.83673	0.6
156.76341	0.7
162.09167	0.9
163.03976	0.9
164.07155	71.5
165.07504	2.4
177.01929	1.9
182.28540	0.6
192.04276	2.2
206.08202	47.3
206.16338	0.8
207.06693	1.1
207.08600	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	206.082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	33.7
59.01384	4.5
69.61250	2.2
69.61661	1.9
70.02974	12.4
72.00902	5.5
91.05528	9.7
103.05543	0.9
129.01933	1.2
135.04546	1.6
136.04013	0.8
147.04510	33.7
148.04886	1.0
162.09213	1.6
164.07150	100.0
165.07523	3.2
177.01917	1.8
192.04280	2.1
204.05861	0.6
206.08205	46.5
206.16339	0.8
207.08578	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	207.0509
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
59.01378	100.0
64.86904	1.6
66.67632	1.8
68.86818	1.7
68.99794	1.6
69.72643	9.5
71.01379	22.4
72.99298	4.5
73.02945	26.2
75.00861	6.7
85.02934	4.6
87.00870	13.4
89.02445	8.3
99.00874	23.6
101.02438	11.2
103.04028	2.6
109.02895	2.1
117.01942	29.4
119.66159	1.6
120.71259	1.6
129.01912	4.1
135.03011	14.6
136.93948	2.5
147.02992	23.4
170.32607	1.5
189.04066	2.2
192.04271	1.7
207.05057	36.2
207.07016	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	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
58.64173	0.2
59.01372	0.3
60.33051	0.2
66.01087	0.4
67.60195	0.2
69.26960	0.8
69.27386	1.7
79.95737	0.3
84.39898	0.3
91.01900	1.0
95.05032	0.3
120.02170	2.7
121.02950	100.0
122.03281	2.5
135.67340	0.3
136.01645	1.6
137.02505	0.3
139.43864	0.3
161.02469	0.4
179.03470	0.6
181.05089	0.6
183.46056	0.3
194.02263	0.4
194.05820	0.6
209.04535	15.9
209.11798	1.1
210.04822	0.7
211.44682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72630	0.4
52.61283	0.5
59.01377	0.8
69.43465	2.6
69.43893	1.3
75.23717	0.5
77.03964	0.8
77.72488	0.5
81.03479	0.6
91.01901	1.6
91.05524	0.8
93.03450	2.7
95.05007	2.4
105.03446	7.0
107.05046	0.9
109.02968	0.7
117.03473	0.8
120.02163	2.0
121.02950	100.0
121.06568	1.4
122.03226	3.4
123.04514	1.5
124.04038	0.7
133.02953	3.4
135.04507	1.4
136.01688	0.9
139.07637	0.6
147.04442	0.7
150.03221	1.2
150.69106	0.4
151.03993	22.5
152.04279	1.1
161.02431	56.7
162.02728	2.1
165.05511	0.9
165.12785	0.6
176.04764	39.8
177.05176	1.7
179.03485	83.9
180.03824	2.9
181.05058	0.9
191.07112	11.6
194.05824	59.1
195.06175	2.3
209.04570	13.4
209.08157	23.9
209.11766	2.6
210.08551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
66.01115	0.5
66.45665	0.3
67.01887	0.3
69.56767	0.8
69.57175	1.3
77.03988	0.6
79.95722	1.7
81.03452	0.6
81.44437	0.3
91.01888	1.4
93.03445	1.6
95.01359	0.4
95.05016	1.3
98.20659	0.5
105.03447	4.6
107.05036	0.4
117.03448	0.3
120.02158	2.7
121.02949	100.0
122.03285	3.6
123.04530	0.8
123.08139	0.4
124.04021	0.4
133.02959	2.1
135.04544	0.4
136.01634	1.2
137.02493	0.4
137.04517	0.4
137.06107	0.4
146.94035	0.3
147.04448	0.6
149.02448	0.4
150.03204	0.3
151.03992	14.5
152.04364	0.4
153.09163	1.0
161.02432	35.0
162.02734	1.0
165.05447	0.6
176.04771	17.8
177.05118	0.8
179.03484	52.3
180.03827	1.9
181.05074	0.4
191.03464	0.6
191.07097	6.4
191.10739	0.5
192.07458	0.8
194.05823	47.0
195.06227	1.6
209.04556	15.1
209.08150	18.0
209.11780	1.1
210.02290	0.9
210.04811	0.7
210.08395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.29568	0.5
53.07350	0.5
54.08877	0.5
57.03444	2.4
57.84432	0.5
59.01376	100.0
60.01706	0.7
70.88330	1.3
70.88680	1.0
72.58702	0.5
80.02676	0.6
81.03458	1.8
84.31866	0.5
92.99854	0.6
93.03480	0.9
96.19919	0.6
97.06580	4.6
98.81581	0.5
109.06584	4.5
121.02952	14.6
122.03323	0.9
135.08174	1.0
136.01740	0.6
137.02490	0.6
163.11288	1.0
164.98277	0.6
165.12859	4.9
179.03439	0.9
209.04539	3.1
209.11813	24.7
209.30264	0.6
210.12242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01359	1.8
59.18491	0.6
61.98824	4.1
64.01904	1.3
71.18943	1.3
80.96529	0.8
88.92285	0.6
92.05102	0.7
94.02982	1.7
96.95992	1.6
103.04279	1.9
104.05058	33.6
104.11028	0.6
107.23668	0.7
120.04525	5.2
122.06168	1.3
124.04040	6.3
136.07654	0.8
137.06113	0.7
148.04037	58.2
149.04337	2.0
150.46799	0.7
151.56981	0.6
153.05495	0.8
156.55061	0.6
166.05080	100.0
166.91071	3.0
167.05415	3.0
192.54343	0.6
193.37135	0.6
209.21617	0.8
209.94907	1.9
210.04030	16.1
210.05867	1.0
210.07597	1.1
210.12358	0.8
211.06108	1.7
211.13374	2.7
227.65305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.71450	0.3
55.41383	0.3
59.01380	0.5
61.18911	0.3
68.99847	0.3
69.03445	1.0
70.96413	0.5
83.05019	0.6
95.01384	0.5
95.04990	0.3
97.65608	0.3
121.80049	0.3
123.00814	0.5
137.02516	0.4
137.09608	0.3
151.06255	0.3
155.10777	0.5
167.10748	1.1
167.14413	1.3
183.13889	13.7
184.14215	0.6
193.12312	4.0
194.12663	0.3
199.06081	0.3
211.13376	100.0
212.13705	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	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
59.01377	1.4
61.98807	0.7
65.85622	0.6
71.01385	0.9
97.02927	1.1
97.06554	1.0
98.19846	1.6
104.56992	0.5
108.85923	0.6
115.08392	0.7
151.11264	11.9
161.18358	0.5
168.98904	2.5
169.12329	100.0
170.12685	3.5
183.13879	1.2
195.10368	1.2
195.13857	1.3
197.99118	1.6
213.05638	1.0
213.09279	1.3
213.11313	24.2
213.14877	9.3
213.18588	2.4
214.11655	1.2
226.07561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1084
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
52.73260	0.4
55.01881	0.9
57.03440	2.5
59.01379	1.6
69.49152	3.0
71.01381	0.8
72.04544	22.0
79.95699	0.7
82.06628	1.7
83.01367	2.3
85.02943	0.5
95.95226	4.0
96.96018	2.3
111.00889	2.0
111.05952	0.4
127.90436	0.4
135.04515	0.9
140.10799	6.7
142.12363	100.0
143.12743	2.3
144.00893	0.7
149.06076	0.9
152.98524	0.7
168.10281	46.4
169.10660	1.4
170.11848	47.5
171.10382	0.5
171.12180	1.5
171.97771	0.8
174.02583	6.3
174.52855	0.7
180.98315	1.1
186.11316	1.0
193.97206	0.8
195.06480	0.7
196.98303	0.5
206.96761	0.4
214.10823	55.5
214.97781	16.4
215.00920	8.3
215.09253	0.9
215.11165	1.3
215.47998	0.8
215.87975	0.5
220.98297	0.7
230.08957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	29.9
59.01376	39.0
69.92459	1.2
69.92867	2.6
70.91976	0.7
71.01384	1.4
85.02945	6.6
86.02387	0.7
86.06110	3.4
86.13384	0.6
87.00892	1.0
88.04082	0.7
89.02475	0.6
96.96005	1.4
97.02943	11.0
100.07682	9.0
112.07683	2.1
114.05602	21.6
114.06400	1.2
126.05570	2.0
128.05070	5.2
128.07169	26.3
132.06631	4.5
156.06644	18.6
172.04030	2.9
172.09744	1.5
174.07703	100.0
174.99231	1.7
175.07990	1.9
190.05110	5.2
216.01372	0.9
216.08719	4.5
217.00250	1.5
217.07133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66409	0.5
59.01378	20.7
68.44251	0.4
69.53978	2.4
69.54399	0.9
71.01415	0.6
71.69474	0.4
80.21431	0.5
85.02949	1.0
87.00870	0.6
90.97169	0.5
98.19855	0.5
99.04498	0.6
111.04453	0.5
124.89030	0.4
127.04014	0.9
129.07019	0.6
145.06580	4.0
146.03777	0.6
155.04991	1.3
158.03731	6.6
159.04503	32.1
160.05302	6.4
162.03233	1.1
163.03979	0.8
166.93555	0.5
171.08185	0.9
172.05258	1.1
173.06059	80.9
174.03198	1.7
174.06842	24.2
174.99236	6.1
175.07281	0.8
181.07152	0.8
187.04021	5.0
187.07646	1.9
188.04778	23.8
188.08369	3.0
189.05356	1.1
189.09192	6.4
192.44826	0.6
197.06068	0.6
199.07610	3.6
202.06296	0.9
203.07233	0.6
215.07120	1.3
216.07726	0.7
217.00250	7.1
217.08675	100.0
218.08997	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	217.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.0
59.99110	0.5
71.59884	0.8
74.48347	0.6
84.63628	0.5
96.31460	0.5
101.50927	0.6
127.04001	1.2
130.04262	0.6
145.06596	4.1
146.03746	0.7
154.60370	0.5
155.05005	1.7
158.03716	5.9
159.04503	32.8
160.05284	7.4
162.03252	0.6
171.04527	0.7
171.08185	0.7
172.05156	0.6
173.06061	79.8
174.06847	25.1
174.99318	2.5
175.07289	1.0
187.04007	5.3
187.07608	1.9
188.04785	22.6
188.08347	3.9
189.05208	1.2
189.09200	6.6
199.07610	4.1
202.06415	0.6
215.07098	1.0
217.00305	2.2
217.08673	100.0
218.09093	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	218.1031
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01372	7.6
60.01689	0.9
62.91245	0.4
68.87146	0.3
71.01377	11.1
71.05016	16.0
71.51582	0.8
72.00919	0.6
72.99290	0.6
73.02923	0.5
75.00839	0.5
85.02946	0.6
87.00904	0.5
88.04034	100.0
89.04361	1.4
93.03454	0.5
94.03783	0.5
96.95995	1.2
99.04510	5.7
109.03016	0.5
116.03521	0.5
116.07176	2.5
118.02985	1.0
119.65926	0.4
125.02434	0.5
129.05571	1.2
130.02982	2.1
131.01689	0.5
138.02733	0.5
144.04578	2.0
146.02454	2.1
146.08217	47.9
147.04523	0.5
147.08601	0.9
174.01947	10.8
174.05597	0.8
175.02206	0.6
184.25185	0.5
201.07722	0.5
204.04224	0.7
218.00630	1.8
218.04594	1.0
218.10294	32.2
219.03001	1.0
219.06604	0.7
219.08620	0.8
219.10509	1.4
219.12386	1.9
219.17502	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	223.061
Annotation	Calaminthone
Peak:m/z	Relative Intensity
56.28173	0.3
57.03442	0.6
59.01377	16.7
59.60304	0.3
63.18089	0.3
63.53812	0.3
63.96229	0.5
67.80907	0.4
71.01381	2.3
71.57273	0.3
72.99294	4.0
73.02941	0.6
74.99093	1.0
75.88060	0.3
77.28445	0.3
78.98589	3.4
81.03464	0.7
83.01383	0.6
85.02942	2.9
87.00910	0.8
91.02225	1.4
93.03458	0.6
96.96014	0.4
99.00878	1.4
101.02425	0.6
107.05020	0.8
111.00869	1.3
112.98777	2.2
113.02446	0.5
119.05022	100.0
120.05331	2.3
120.99649	1.3
121.88239	0.4
125.02425	1.6
129.01938	3.3
134.03705	0.5
135.01233	2.1
135.04515	10.2
136.99112	0.6
147.03011	1.2
163.04002	34.6
164.04347	1.1
181.01805	2.8
181.05057	45.0
182.05380	1.8
205.03416	1.8
223.02676	0.6
223.04509	4.4
223.08046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0925
Annotation	Loganetin
Peak:m/z	Relative Intensity
55.01869	2.3
55.44040	1.2
57.03447	11.3
59.01379	8.2
67.01898	5.5
68.99812	4.4
69.03448	3.7
71.01377	23.5
71.05024	1.5
71.60320	2.0
72.99316	1.9
73.02932	2.4
74.70781	1.4
79.05529	3.8
80.02689	2.2
81.03438	1.8
83.01382	13.4
83.05006	1.7
84.02152	3.3
85.02953	24.0
86.10152	1.7
87.00864	4.3
93.03453	1.6
95.01398	3.0
95.05032	6.7
96.36579	1.7
96.96021	1.6
97.06590	27.4
98.03735	7.7
99.00864	16.9
99.92645	1.9
101.02412	4.0
105.07132	1.7
106.04327	1.8
107.05006	5.5
108.02157	2.4
109.06607	2.8
111.00879	35.0
111.08131	8.9
112.98809	56.4
115.00362	2.5
121.06614	9.0
123.04526	22.9
123.08125	2.4
124.01598	2.1
124.05324	1.6
125.06073	2.3
129.01936	42.5
131.83217	1.6
134.03696	2.6
137.06126	2.9
137.09697	3.5
139.04021	2.5
139.07649	87.2
142.24300	1.6
142.99832	6.3
146.13054	1.5
149.06064	29.4
151.07628	2.1
153.09195	3.0
155.07053	1.8
163.07674	2.8
165.12793	3.3
167.07129	100.0
168.00624	2.1
168.07407	2.2
169.18889	1.6
173.00955	18.1
174.68800	1.7
179.07126	2.3
181.08711	3.5
182.34386	1.6
183.06604	2.4
183.13873	17.1
184.86565	1.4
191.01999	3.7
191.07066	1.9
209.08148	9.0
209.11853	6.1
226.99646	10.0
227.03654	2.0
227.05649	8.4
227.09258	25.0
227.12790	10.9
227.16548	2.4
227.20203	12.5
228.08760	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.62136	0.5
59.01373	0.8
67.01893	0.8
69.71989	2.5
71.01369	0.6
83.05038	0.6
95.01408	0.7
98.20565	0.9
107.70509	0.5
111.00859	1.1
111.08147	1.0
112.98827	1.0
124.97543	0.5
128.34534	0.5
134.21516	0.4
165.12833	21.4
166.13116	0.9
183.13893	100.0
184.07191	0.4
184.14281	3.7
209.11867	4.6
227.12872	26.8
227.20129	1.9
227.62077	0.7
228.13239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01874	0.3
56.29778	0.2
59.01342	0.2
67.01883	0.3
67.63434	0.3
69.31808	1.7
71.01394	0.3
71.04999	0.6
80.02682	2.2
81.03465	1.8
82.16973	0.2
83.01373	0.6
83.05023	6.8
84.02163	3.6
93.03422	0.2
95.05026	0.8
97.06567	0.3
98.20592	0.4
109.06583	0.5
110.01311	0.2
111.08144	0.3
112.98822	0.3
125.06083	0.9
125.09723	0.3
127.11266	0.3
135.08128	1.0
147.11784	0.5
161.05070	0.2
163.11278	6.0
164.11638	0.2
165.12845	4.1
166.13098	0.2
181.12346	0.7
183.13884	0.7
191.10768	1.4
209.11810	100.0
210.12144	4.6
212.62900	0.2
227.12886	3.7
227.20174	0.2
230.34354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0127
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.06009	0.9
53.79198	1.0
56.81150	0.8
59.01372	4.0
60.28610	0.8
66.03474	1.4
71.12194	1.5
71.12525	1.3
73.01168	6.5
74.99087	1.9
79.95737	1.0
80.05069	2.1
82.02987	7.2
96.04552	28.6
96.47705	0.8
96.96004	1.0
98.02480	1.2
98.99098	3.9
104.39758	0.9
108.04553	31.3
114.00187	86.1
115.00479	1.5
123.20705	0.9
127.07616	2.1
128.30177	1.0
132.03006	1.6
140.34085	0.8
142.03316	100.0
143.03633	1.7
170.88368	1.2
186.02289	38.8
187.02713	1.2
188.09273	1.2
189.07654	1.7
230.01259	90.0
230.10028	1.7
231.01573	2.5
231.08690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
63.79485	0.3
70.42921	0.4
70.43263	0.9
87.00872	100.0
88.01217	0.9
98.19929	0.3
100.12415	0.3
114.09239	1.4
123.18459	0.4
127.07631	0.4
129.54147	0.3
140.10803	2.5
142.08708	2.2
143.79279	0.3
149.38802	0.3
151.04030	0.3
164.39796	0.3
168.10236	2.6
170.88364	1.1
189.07713	0.3
230.08055	0.5
230.10310	7.9
230.15440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29382	0.6
56.40573	0.6
59.01375	17.6
70.17328	2.6
71.01377	0.7
73.02967	0.7
85.73027	0.7
96.95996	0.6
97.06580	1.7
97.30553	0.6
98.20660	0.7
99.08135	0.9
102.45006	0.6
109.06572	6.2
125.06081	1.5
127.07645	100.0
128.07971	3.6
143.07137	13.6
169.08606	0.7
171.06610	21.1
189.07664	72.4
190.08015	2.5
231.08684	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03443	15.6
57.48423	1.3
59.01376	100.0
60.15389	1.4
60.32380	1.3
67.01873	4.1
67.93462	1.4
68.99809	3.2
69.38795	12.5
71.01377	47.9
73.02953	8.3
83.01389	12.4
85.02945	11.6
87.00859	4.8
89.20151	1.4
91.66248	1.3
93.03445	2.9
98.20628	1.8
99.00870	31.8
101.06068	6.5
110.82466	1.5
111.00873	22.9
112.98774	2.6
129.01935	33.2
129.05602	2.1
145.00847	7.2
147.06630	3.3
153.01903	2.2
161.00314	1.6
166.99394	1.5
173.00890	3.6
173.04524	5.8
188.99777	4.6
206.76883	1.4
232.98738	4.7
233.06618	2.7
233.10251	6.5
233.15373	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90624	0.2
59.01376	8.0
59.96729	0.5
60.97500	0.3
70.80921	0.4
70.81255	0.4
74.99065	7.0
75.00887	0.2
75.96225	0.3
82.91161	0.2
91.02222	0.6
91.29252	0.2
93.00139	1.3
93.03452	1.2
118.96209	1.1
127.97585	0.2
134.99385	6.4
136.97301	1.6
143.05315	1.0
149.00943	62.2
150.00908	1.7
150.98865	0.6
159.08441	1.6
161.06395	3.0
173.04527	2.0
208.71703	0.2
215.05640	1.2
217.07182	87.4
218.07312	5.2
233.10310	100.0
234.10483	5.5
235.08247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09004	1.3
53.64375	1.5
59.01371	4.5
59.17593	1.3
59.50528	1.4
61.98825	32.9
62.08774	1.5
69.50937	1.3
71.01373	5.9
71.59773	1.7
72.99303	64.5
73.02942	1.8
74.99084	2.9
75.00877	3.2
80.96518	2.6
87.00873	34.0
88.04025	2.3
89.02435	1.7
92.05056	36.7
94.07697	1.4
96.96007	2.2
101.02435	2.6
105.00129	2.2
105.03774	4.5
108.04551	5.9
115.00373	1.7
116.05070	2.6
118.02956	7.1
118.06627	6.8
120.04546	47.4
120.99648	3.0
128.05054	19.0
129.01962	1.7
130.06619	27.4
131.03751	19.3
134.06113	11.0
144.04544	91.5
145.04837	3.7
146.02472	47.3
146.06100	33.7
147.06395	1.9
148.02917	3.3
148.04030	38.5
149.02475	1.7
149.04361	1.6
149.06219	1.8
156.04552	1.5
160.04047	1.8
162.05591	4.2
164.07149	6.1
165.05530	2.5
172.04037	18.5
174.02127	1.5
174.05583	56.8
175.05995	1.4
190.05096	25.0
191.05394	2.2
192.06703	6.1
193.05118	2.2
208.05952	2.0
218.04558	17.4
236.05617	100.0
237.03958	2.3
237.05989	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	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.9
61.98832	26.9
71.01380	5.2
71.57700	2.3
72.99306	65.9
74.99090	3.5
75.00857	2.9
80.96507	2.2
87.00871	35.1
88.04022	3.7
89.02454	2.7
90.98589	2.2
92.05060	32.2
96.96014	3.0
101.02454	2.2
105.03768	4.9
108.04554	4.7
113.02426	1.7
115.00354	1.5
116.05019	1.6
117.03451	1.5
118.02988	5.9
118.06628	9.5
120.04556	50.2
120.99628	5.5
121.06510	1.7
128.05063	20.1
130.06633	26.6
131.03755	18.5
134.06137	10.3
144.04553	90.1
145.04916	4.1
146.02480	50.2
146.06114	42.2
147.04482	3.9
148.02939	2.8
148.04053	37.3
149.02588	1.8
149.06075	1.7
156.04434	1.8
159.03169	1.6
160.03967	4.5
161.04588	1.7
162.05576	2.5
164.07129	8.5
165.05537	4.9
172.04031	15.5
174.05589	58.3
174.07100	3.0
175.05952	1.5
177.04021	1.5
190.05098	25.7
192.06639	7.8
192.10275	1.7
192.99640	1.7
193.05161	2.5
208.06154	2.2
214.07375	1.4
218.04523	18.9
236.05621	100.0
237.06023	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	237.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98749	0.3
61.36153	0.3
65.04723	0.3
71.01377	18.7
77.03954	0.3
79.95769	0.4
115.00372	9.0
115.06474	0.3
121.02950	100.0
122.03278	3.1
161.14862	0.3
190.92426	0.3
196.98180	0.3
197.78856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63353	1.0
55.01875	11.4
57.03445	7.6
58.00584	3.0
59.01376	73.5
61.98822	5.5
69.03464	1.6
70.13554	1.9
70.13942	2.9
71.01378	100.0
72.99297	4.2
73.02548	2.3
73.02944	39.3
74.99079	1.3
75.00874	6.5
80.96538	1.2
81.82900	1.1
83.01380	21.3
85.02951	46.2
87.00887	9.4
89.02442	16.8
95.01381	8.3
95.17774	1.2
97.02923	2.3
98.20575	1.7
99.00881	15.2
101.02437	99.4
102.02771	2.2
107.01719	2.0
111.00875	2.2
112.98785	1.8
113.02442	38.6
115.00375	7.0
119.03487	3.8
120.99639	8.7
123.69583	1.1
125.02435	2.7
128.57692	1.1
128.70271	1.1
129.01920	5.1
143.03456	4.5
159.02986	11.1
161.04544	46.3
237.00671	1.7
237.04240	2.2
237.06219	2.2
237.09776	35.0
238.10242	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	239.056
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
53.99732	1.0
57.03428	1.6
59.01376	93.4
60.01728	1.5
68.99798	1.1
71.01379	5.3
71.15022	2.5
72.99295	4.7
73.02944	9.1
79.95736	1.4
80.96593	1.2
81.03410	1.2
83.01418	1.7
85.02943	3.2
85.34331	1.1
87.00877	25.1
89.02443	2.0
91.05523	2.4
93.03443	3.4
95.01372	1.6
96.96008	2.7
97.02934	1.9
99.00863	5.2
101.02421	2.8
106.04256	4.0
107.05016	26.5
108.02147	8.1
109.02967	5.3
113.02435	2.1
117.01930	3.4
121.02958	5.7
125.02448	2.5
131.04988	1.6
133.06589	11.0
135.04512	8.5
137.02446	1.9
141.01907	1.5
149.06070	42.4
151.04008	2.6
159.02988	1.8
159.06461	1.4
161.04541	16.7
163.04022	2.7
165.05444	1.2
177.04129	1.8
177.05547	39.8
179.03477	63.6
179.05588	82.4
180.00604	5.0
180.03934	3.7
180.05925	1.9
181.52451	1.1
193.04990	2.0
195.06580	6.8
197.04507	2.8
221.04503	2.3
223.02846	2.7
239.05583	100.0
239.09444	3.3
240.05914	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	239.997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00544	0.5
57.81443	0.6
59.01379	2.9
60.01694	1.0
63.41782	0.5
63.81701	0.6
65.86115	0.5
69.75452	3.2
79.95739	1.1
96.96003	13.5
116.05058	100.0
117.05383	2.5
122.58276	0.5
124.91965	0.5
129.10083	0.5
160.04027	82.6
160.07660	1.8
161.04337	2.9
179.05623	1.3
180.05954	2.4
182.44377	0.5
196.00708	10.7
239.99695	57.2
240.03532	1.6
240.63632	0.7
241.00053	1.8
263.46094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66651	0.5
59.01380	1.7
69.50198	2.2
69.50631	1.9
72.62996	0.6
78.65752	0.7
78.91903	1.0
79.95733	7.4
80.96519	2.3
87.00909	0.7
95.95301	0.7
96.96008	7.2
98.20660	1.0
103.05858	0.5
116.05064	32.0
117.05359	0.7
128.05048	1.5
130.06619	15.1
142.06564	3.5
160.04048	23.9
160.07674	100.0
161.04398	1.0
161.07988	3.8
168.36606	0.6
180.05946	1.2
196.00713	2.0
217.51982	0.7
239.99785	15.2
240.03339	81.2
240.08374	2.1
241.03676	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.7
59.01379	18.1
61.56282	3.7
68.92033	3.1
71.01369	23.6
71.06055	6.5
72.99297	7.4
82.02978	10.4
83.01375	14.9
85.02900	7.6
86.92704	3.3
87.00868	9.1
89.02412	7.2
96.00917	22.7
96.95995	7.9
98.02472	5.2
98.20035	3.6
99.00878	38.4
101.02460	6.2
108.40502	3.4
111.00875	29.9
112.98809	97.9
115.00366	8.5
117.01999	6.1
129.01900	19.2
142.98839	6.7
142.99861	76.6
145.01427	10.7
148.33005	3.2
153.99649	7.3
159.68060	3.8
173.00893	100.0
181.07225	4.4
198.07491	5.1
205.03506	45.3
208.98630	21.0
241.00853	8.0
244.55879	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	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.7
59.01379	18.1
61.56282	3.7
68.92033	3.1
71.01369	23.6
71.06055	6.5
72.99297	7.4
82.02978	10.4
83.01375	14.9
85.02900	7.6
86.92704	3.3
87.00868	9.1
89.02412	7.2
96.00917	22.7
96.95995	7.9
98.02472	5.2
98.20035	3.6
99.00878	38.4
101.02460	6.2
108.40502	3.4
111.00875	29.9
112.98809	97.9
115.00366	8.5
117.01999	6.1
129.01900	19.2
142.98839	6.7
142.99861	76.6
145.01427	10.7
148.33005	3.2
153.99649	7.3
159.68060	3.8
173.00893	100.0
181.07225	4.4
198.07491	5.1
205.03506	45.3
208.98630	21.0
241.00853	8.0
244.55879	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	241.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62468	0.7
55.01870	0.9
55.03014	0.8
59.01405	1.2
67.01904	1.0
68.99833	1.9
69.50210	4.5
69.50617	1.7
71.01381	1.5
83.01379	3.9
95.01378	6.8
96.96029	1.6
97.02969	0.7
98.95610	0.9
99.00895	1.3
101.02463	2.3
111.00878	6.0
112.98833	2.0
123.00880	70.2
124.01250	2.3
126.82343	0.8
127.00383	8.0
136.98793	6.8
137.02492	0.9
138.03221	43.4
139.00363	8.1
141.01942	1.8
153.01949	3.9
153.05566	38.3
153.72525	0.7
154.02710	2.8
154.99867	0.9
166.99844	55.4
168.00185	1.4
168.30061	0.9
181.01350	1.7
181.07179	2.3
182.02200	70.1
183.02559	2.3
193.66498	0.7
197.04532	100.0
197.11723	1.7
198.04903	2.9
199.09734	2.8
240.58473	2.8
241.03494	37.2
241.10747	1.2
241.14337	0.8
242.03770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
56.30209	0.9
59.01371	15.3
61.98829	19.4
71.01379	2.2
72.43887	0.9
72.99293	1.6
73.02947	1.2
82.02971	3.9
83.01377	3.1
83.05017	1.8
84.04528	2.4
85.02971	1.3
85.06598	1.7
87.00872	7.5
93.03436	1.1
95.04421	1.4
95.05015	17.7
97.02953	1.8
98.02477	11.1
98.03067	1.5
99.00850	1.4
100.04050	1.3
107.05016	7.3
108.04503	1.3
110.00689	1.3
110.02477	7.5
110.06102	1.3
111.00851	1.7
111.04475	2.5
111.08128	2.8
112.04043	11.2
112.07680	16.7
112.98780	3.6
115.55530	0.9
123.03250	13.8
124.04027	3.3
124.07652	2.8
125.06052	1.2
126.05621	2.2
126.09208	1.4
128.03482	2.4
129.01866	1.6
134.06081	1.5
136.04044	1.7
136.07701	5.2
137.06081	2.7
138.05598	44.1
139.05975	1.2
140.07198	7.5
142.99829	3.8
144.00116	1.3
153.05557	1.1
153.99643	2.9
154.05092	28.8
154.08675	1.2
155.03447	1.9
155.07097	3.3
156.06638	4.1
165.01851	1.1
170.08232	2.9
173.00873	3.6
174.01208	1.8
180.04915	1.8
180.06613	1.8
181.07620	1.3
182.04576	34.8
183.04921	1.2
195.06593	1.1
196.06168	9.5
196.12892	1.0
198.07677	12.8
200.05627	100.0
201.05923	3.5
205.03418	1.2
214.07167	4.3
216.48763	1.1
227.01674	1.0
238.67131	1.2
242.00717	1.0
242.06659	37.6
243.05043	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	242.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22953	0.5
63.11293	0.5
67.75727	0.5
69.78623	3.0
70.95599	0.5
76.08933	0.6
79.95731	31.0
88.02074	0.5
91.05526	52.8
92.05869	1.4
94.72681	0.5
96.96008	10.0
98.19955	1.0
129.27769	0.6
135.04512	3.6
139.22824	0.6
163.03998	100.0
164.04398	2.9
171.01202	13.3
196.47769	5.1
203.98965	7.1
242.99635	16.6
243.96935	0.7
244.00189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09845	0.4
53.94018	0.4
58.92421	0.5
59.01378	1.0
67.01936	0.5
70.96082	1.2
74.74370	0.5
79.95738	3.6
91.05535	5.8
93.03432	0.7
96.96003	8.7
118.01820	0.9
119.05025	98.8
120.05351	2.6
135.04515	0.8
151.15590	0.5
156.04871	0.5
163.04002	100.0
164.04366	4.0
164.07202	1.3
171.01204	1.8
199.00703	1.5
199.13467	0.7
242.99672	26.8
243.08640	2.0
243.12344	2.2
244.00114	1.0
244.02811	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.03709	0.8
56.18687	0.8
56.48827	1.0
57.03434	1.2
58.84425	1.0
59.01372	3.7
69.97359	3.9
71.05014	2.6
79.95731	40.9
82.25474	0.8
83.04955	1.1
97.02947	5.1
97.06570	2.6
99.00874	21.0
103.01870	1.4
109.06592	1.5
110.03719	1.3
111.00871	1.6
125.09712	6.8
127.11285	1.2
131.01357	3.5
135.08195	1.2
139.11226	1.1
142.02702	1.1
153.12912	1.2
155.10780	1.3
155.14362	1.5
159.00861	2.4
163.11295	8.3
181.12321	23.9
183.10219	1.2
187.00404	2.7
196.47795	22.1
197.11757	1.6
199.13377	18.6
201.11292	7.4
203.98956	36.7
207.10236	48.9
208.10594	2.3
214.99854	2.4
225.11301	79.1
226.11662	3.2
242.99321	8.0
243.12346	100.0
243.96800	3.7
244.12730	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	245.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
69.51490	3.7
71.01366	1.1
78.90781	0.6
78.95894	9.5
79.95723	11.1
80.96514	15.1
89.02428	1.6
94.37863	0.6
94.98083	34.8
96.96941	1.5
115.33063	0.6
124.57984	0.5
136.99092	1.9
144.95471	1.1
152.98549	0.6
152.99582	6.6
171.00609	2.3
227.02312	5.1
245.03313	100.0
246.03618	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	245.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21803	0.5
57.03425	0.4
59.01375	40.4
62.83957	0.5
63.31824	0.4
69.79166	1.2
69.79560	0.9
77.19707	0.5
79.95729	11.3
81.95310	2.7
88.80057	0.5
96.97585	0.5
98.19962	0.8
104.53044	0.4
105.63223	0.4
119.20737	0.4
127.11263	4.1
128.59833	0.5
139.11272	1.7
155.10797	2.4
157.12328	17.3
158.12631	0.6
178.28690	0.4
185.11795	16.0
186.12135	0.6
196.47787	1.8
196.97955	3.6
197.47881	1.3
203.12856	100.0
203.98958	2.0
204.13167	3.0
204.49136	6.8
204.98877	2.5
245.13869	7.3
269.98041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0616
Annotation	N-Succinyl-L-glutamate
Peak:m/z	Relative Intensity
51.87355	1.5
55.01857	5.0
57.03418	2.4
58.99596	4.1
59.01377	8.6
60.99273	2.2
69.88556	1.6
70.35380	4.7
71.01367	3.0
72.00923	9.1
72.99293	2.8
74.02468	70.4
74.02898	3.5
80.05009	1.8
80.96490	2.7
81.02183	2.7
82.02972	19.5
83.01389	13.2
83.96107	1.7
84.00899	23.6
84.04514	3.4
85.02938	2.2
85.06564	5.0
86.06109	8.1
87.00858	1.6
94.02966	6.8
96.04546	100.0
97.02909	3.2
98.00682	2.3
98.02477	10.5
99.00853	4.5
101.02435	8.7
105.05213	1.4
110.02459	5.1
110.06085	4.9
111.04505	3.2
112.03339	2.2
112.04041	25.0
112.07671	13.9
114.05611	8.2
118.04363	2.6
118.05109	26.8
122.06070	2.7
127.00349	13.4
128.03503	2.8
130.05046	2.1
138.04686	2.1
138.05606	22.9
140.01785	15.2
140.03506	32.6
140.07164	30.5
144.06650	2.5
145.01408	9.8
156.03020	60.2
156.06622	20.5
158.04608	11.6
184.02574	15.1
184.03986	1.9
184.04434	3.2
184.06113	59.3
186.07697	9.0
200.05620	65.7
202.01814	2.6
204.08653	7.6
210.04056	3.7
228.05116	97.9
229.05476	3.3
246.00739	3.6
246.03668	3.4
246.06116	54.6
246.09915	3.5
247.04379	1.8
248.82193	1.9
262.35440	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72646	0.3
59.01368	1.1
63.02411	0.6
65.00322	0.5
68.99828	0.3
71.01379	0.8
75.02396	1.3
75.59467	0.3
79.01908	0.3
85.02966	0.3
91.01889	9.9
91.39293	0.2
93.03417	0.4
95.01384	0.3
101.18489	0.3
119.01386	11.6
120.01725	0.4
121.02996	1.3
131.01381	0.5
132.98230	0.6
147.00876	29.5
148.01233	1.1
160.87663	0.3
165.01913	0.5
175.00360	14.6
176.00629	0.5
185.88490	0.2
186.95624	1.4
190.99936	1.2
202.99844	57.5
204.00203	2.1
218.99344	0.4
229.06889	0.3
238.87872	0.2
246.98808	100.0
247.99158	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	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
50.52384	0.1
59.01359	0.3
62.56152	0.1
62.72425	0.1
69.25832	1.3
71.01377	0.6
71.28095	0.1
79.47027	0.1
80.29864	0.1
90.97116	0.2
98.20740	0.3
103.03983	0.2
104.97979	0.1
107.67592	0.1
112.70532	0.1
121.02941	0.2
132.98180	0.3
135.28328	0.1
165.01955	0.2
174.99240	0.3
184.00194	0.8
186.95596	1.0
186.99272	0.2
220.16992	0.6
231.13899	0.5
247.17012	100.0
248.07893	0.9
248.17349	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53494	0.7
53.34793	0.8
55.01876	8.3
55.16237	0.8
57.03451	4.3
58.00595	4.4
58.00835	0.9
59.01378	85.3
62.00590	0.8
68.99780	1.0
70.86204	2.0
71.01379	100.0
72.01677	0.8
72.99302	5.2
73.01183	7.8
73.02946	34.1
74.99096	0.8
75.00860	3.5
79.95746	1.4
80.96503	1.8
83.01384	16.4
85.02948	48.0
87.00861	5.0
89.02443	23.8
95.01370	6.3
96.95985	1.8
97.02935	2.0
98.20278	1.2
99.00877	12.1
101.02437	97.5
103.00360	3.2
103.02248	4.5
103.03967	1.0
111.00832	1.2
113.02445	43.1
117.20743	0.8
119.03499	8.0
120.99654	2.5
121.03290	8.9
122.97569	1.8
125.02431	2.2
129.01924	2.4
131.03488	1.2
133.05103	1.0
142.23520	0.8
143.03534	4.5
147.03008	3.7
159.02989	9.7
161.04546	47.2
162.04849	0.7
163.04306	2.3
163.43376	1.0
165.04005	1.0
179.05635	1.1
191.05525	3.8
205.03549	1.4
207.05168	1.2
250.99806	1.0
251.05858	3.2
251.11328	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	253.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62304	0.5
59.01377	45.2
61.98829	35.6
69.86481	3.0
71.01379	34.0
74.99100	1.7
79.95730	8.1
80.96507	7.8
83.94409	0.5
85.02934	0.9
87.00875	4.6
93.03452	0.8
94.98075	10.8
96.96017	4.4
97.33769	0.5
98.20225	1.1
101.06069	6.2
103.00365	0.6
105.01932	0.6
106.98116	0.7
112.98823	1.1
115.00367	0.5
119.05029	1.0
120.99647	1.0
121.02950	38.2
122.97578	100.0
130.19145	0.5
133.01440	1.4
136.99170	0.6
150.97058	12.8
161.04558	0.6
165.02261	1.2
168.98096	0.7
193.07144	3.3
209.08124	0.9
226.16707	0.6
235.06088	0.9
253.00005	1.1
253.03784	25.9
253.07043	2.0
253.09322	1.1
254.04053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18057	0.6
59.01375	100.0
61.98824	51.0
66.44223	0.5
71.01382	10.8
71.58881	0.8
72.99326	0.9
73.02941	1.1
74.65636	0.6
79.95734	2.1
80.96526	2.1
85.02969	0.8
87.00887	0.9
89.02452	2.0
94.98093	2.5
96.96010	2.5
101.02466	2.0
101.06072	1.0
112.18306	0.6
113.02451	1.0
119.05073	0.6
120.99707	0.6
122.97569	24.2
150.97028	3.5
161.04594	1.3
193.07127	5.6
244.23280	0.6
253.03714	7.5
253.09331	1.8
254.07349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63935	0.5
59.01377	3.5
60.01699	0.8
61.98816	2.9
69.61494	0.5
69.69876	2.1
69.70305	1.8
72.32802	0.5
79.95730	31.3
80.50918	0.6
80.96509	2.4
87.07770	0.6
91.13898	0.6
107.55791	0.5
110.68243	0.5
116.05054	5.6
128.05060	8.1
130.06618	60.7
131.06966	2.2
135.36520	0.5
138.13448	0.5
144.04515	0.7
146.06122	8.5
151.00359	0.8
156.04526	1.7
169.08652	0.9
172.03946	1.1
174.05588	100.0
175.05978	3.0
210.02290	59.0
211.02641	2.5
212.43335	0.6
237.00435	0.9
254.01273	74.8
255.01495	3.6
255.08766	0.7
255.23317	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	254.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
60.01712	1.5
61.81936	0.5
61.98829	100.0
65.57360	0.5
70.31944	0.5
70.91104	0.8
71.01392	1.2
72.99333	0.5
80.96500	0.6
96.96016	2.0
107.51959	0.5
112.98813	0.7
134.03677	0.5
142.99876	1.1
143.02011	0.9
168.99977	0.9
173.00835	0.6
183.01477	0.5
194.92860	1.1
204.39622	0.5
254.04483	0.7
254.07120	1.3
255.23375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
60.01718	1.3
60.26781	0.3
61.98827	100.0
69.74523	0.7
69.74931	1.1
71.01395	1.0
72.99297	0.4
76.54006	0.3
79.95750	0.4
96.96003	0.9
98.82315	0.3
112.59882	0.3
122.97566	1.1
124.00780	0.5
141.49376	0.3
142.99922	0.6
143.01924	0.3
167.03661	0.5
168.99930	0.6
173.00894	0.4
254.01515	0.4
255.05193	0.6
255.23309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1756
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
51.17017	0.4
55.03900	0.6
59.01369	1.0
70.00256	2.2
75.00854	1.9
85.02882	0.5
119.31996	0.5
130.88118	0.5
154.91348	1.1
195.17525	42.4
196.17822	2.5
196.92418	1.4
197.90291	1.3
213.18633	1.6
219.84465	1.2
221.84222	3.8
239.16499	46.5
240.16872	3.1
257.17557	100.0
257.23703	2.0
257.94016	0.9
258.17889	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	258.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26688	0.7
57.03454	0.9
59.01378	29.4
69.49654	3.2
69.50059	1.8
72.04527	2.4
78.91872	1.8
82.33242	0.7
85.02946	21.6
85.20528	0.7
86.89714	0.7
96.95990	2.1
98.20619	1.4
101.02426	1.2
129.01920	3.4
142.12366	21.9
143.12746	0.7
146.98381	0.7
154.12360	8.9
160.07106	0.8
162.08980	0.8
168.10336	4.4
170.11844	31.6
171.12151	0.9
196.53133	0.8
198.11339	100.0
199.11659	4.0
209.37460	0.7
216.12384	79.3
217.12743	2.8
228.04765	0.7
240.94995	1.2
254.75374	0.8
258.13419	6.1
259.02921	1.0
259.06049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9916
Annotation	Caffeic acid 3'-sulfate
Peak:m/z	Relative Intensity
50.04407	0.6
59.01376	1.2
66.04178	0.5
69.47757	1.2
69.48158	3.4
71.01377	0.6
74.66378	0.5
78.95906	0.8
79.95732	21.3
80.21296	0.5
80.96515	0.9
91.01875	1.0
93.03458	2.4
96.96010	13.7
106.04235	3.5
107.05027	18.6
108.02185	3.2
108.05393	0.6
113.02489	0.6
121.02949	4.9
133.02986	0.7
138.03192	0.6
142.29877	0.6
145.68385	0.6
148.83095	0.6
151.03949	1.1
161.60562	0.6
172.50906	0.6
179.03485	100.0
180.03809	3.7
187.00685	17.7
258.99121	22.6
259.01611	1.6
259.11664	0.6
259.99533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0125
Annotation	D-Galactose 6-sulfate
Peak:m/z	Relative Intensity
59.01374	3.3
59.33210	0.5
64.11065	0.5
65.71793	0.5
71.01369	1.5
78.95905	0.8
79.95738	3.5
80.96550	0.7
85.02973	0.7
96.96003	100.0
101.02425	0.7
106.04260	0.6
107.05025	1.6
111.04429	0.6
112.38594	0.5
113.02454	0.6
120.99652	1.0
121.02918	1.0
135.04483	0.6
146.03665	0.5
150.31293	0.4
168.98116	1.8
176.98082	0.6
179.03481	10.6
179.07095	0.5
187.00684	2.0
189.02069	0.6
193.33452	0.6
198.92004	0.6
219.10306	0.4
221.84209	0.6
223.74825	0.5
241.00110	0.5
259.01248	74.4
260.01590	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	259.0223
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
52.17440	0.8
54.04843	0.7
58.95419	0.6
59.01359	1.2
60.96996	1.3
69.98328	0.7
70.91106	1.3
71.01388	1.4
76.96510	2.7
78.95901	61.6
80.96511	1.7
90.98097	0.7
92.95987	13.6
96.96037	14.9
96.96955	100.0
99.00886	7.5
100.96483	1.0
101.02499	0.8
102.98077	4.1
110.92617	4.1
114.91990	1.0
114.98880	1.6
116.95982	2.7
118.97557	4.9
120.95499	1.9
130.97534	1.2
131.46277	0.6
132.95486	24.7
138.97058	1.3
138.97990	6.0
140.77509	0.6
142.98370	1.8
144.95480	56.3
145.95581	2.8
146.97063	3.7
156.93156	0.9
156.95418	4.1
160.94936	2.0
161.04541	0.7
162.96532	1.0
165.03740	0.7
168.99107	2.8
174.96529	38.3
175.96648	2.1
186.81889	0.9
192.93233	0.9
199.00089	2.6
204.97571	18.3
205.97774	0.8
216.90570	1.5
222.98633	84.0
223.98769	5.1
228.61308	0.7
240.95291	2.5
258.93253	0.8
258.96487	1.1
259.01663	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	L-Tagatose 6-phosphate
Peak:m/z	Relative Intensity
57.03433	7.9
59.01367	7.6
68.99808	4.1
70.66715	2.5
71.01376	28.6
71.58755	4.0
75.00839	3.3
78.90818	2.5
78.95901	76.3
79.95725	13.9
80.96497	4.1
83.01389	9.8
85.02946	11.2
87.00874	7.9
88.77042	2.5
88.98778	3.2
96.96016	27.1
96.96955	100.0
97.53026	2.8
99.00863	37.7
107.04994	14.8
111.00227	4.1
111.00878	30.2
112.98808	68.4
115.00381	3.6
121.02923	3.3
129.01909	20.2
138.98030	4.0
144.46080	3.0
145.01434	8.1
173.00879	25.8
179.03470	54.0
180.03755	3.7
187.00667	9.1
191.02069	4.1
198.98694	3.0
205.03456	5.8
223.83258	2.8
241.01144	5.5
258.99078	13.4
259.01318	20.4
259.04782	3.5
259.08078	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	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.8
69.63895	5.8
77.45336	1.0
137.09724	7.6
150.53685	0.9
155.10773	100.0
156.11104	3.4
171.08801	1.4
171.10266	22.7
181.08714	2.2
189.50293	1.1
199.09726	37.3
200.10121	1.9
217.10780	94.7
218.11098	4.6
259.11823	25.6
274.89667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.007
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
50.39447	0.5
52.52635	0.5
59.01374	4.5
63.56551	0.5
67.35159	0.7
70.20232	1.1
70.20609	1.5
71.01383	0.5
72.99305	11.0
75.00863	1.8
79.95727	7.5
80.96509	1.5
81.03445	1.5
87.04514	1.4
93.03447	19.3
94.03769	0.9
96.95998	8.1
99.00897	1.4
107.05021	2.0
109.02920	1.3
111.00835	0.8
112.98793	1.9
119.05015	34.7
119.22980	0.6
125.55730	0.5
128.03528	0.9
129.01939	0.7
134.03746	0.8
135.04515	26.9
137.06071	0.9
157.08649	1.2
163.03996	28.3
164.04333	1.4
173.11754	1.2
179.03499	0.8
181.05043	70.5
182.05376	2.2
199.00661	15.9
201.07640	0.7
201.11301	2.3
210.21777	0.5
215.00188	7.1
219.08810	0.9
219.12352	9.7
261.00696	100.0
261.13351	2.2
262.00937	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	261.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
60.35931	0.6
69.90462	2.7
71.01360	1.9
72.99305	11.4
75.00869	2.3
79.95729	8.4
80.96530	0.9
81.03449	1.5
86.64550	0.6
87.00865	0.8
93.02859	1.0
93.03450	20.3
96.95988	3.0
98.20387	1.5
99.00849	1.5
107.05025	1.7
111.00903	0.6
112.98833	3.4
119.05019	38.4
120.05314	1.0
120.99587	0.6
129.01921	1.0
131.59146	0.6
134.03722	1.0
135.03482	1.3
135.04512	25.4
137.06071	0.9
144.22380	0.6
163.03995	30.7
173.00925	1.0
181.05054	76.3
182.05392	1.6
199.00685	13.3
215.00198	7.9
261.00702	100.0
262.01004	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	261.0072
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
50.00196	0.5
51.26255	0.5
59.01368	0.6
60.68554	0.6
70.60906	1.8
71.01856	0.6
72.99305	11.5
75.00868	1.7
79.95725	6.5
80.96536	1.2
81.03461	1.3
93.03457	19.8
95.05037	0.7
96.96013	3.3
97.25008	0.5
107.05013	1.9
109.02989	0.7
119.05022	38.9
120.05394	1.3
132.76596	0.6
134.03709	1.1
135.04520	25.6
137.06059	1.1
163.03996	33.0
164.04318	0.8
170.49516	0.6
181.05055	71.3
182.05385	2.5
199.00693	13.8
202.39146	0.5
215.00203	6.8
219.12230	0.6
245.92471	0.7
261.00702	100.0
262.01035	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	261.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.0
59.01377	34.4
62.00829	0.5
69.03452	1.4
70.60897	1.4
71.01376	0.6
71.04999	1.2
74.02479	1.3
79.95727	1.6
83.05026	1.2
85.02959	1.7
85.06596	1.6
87.04507	12.0
95.05029	1.1
96.95993	0.6
97.06612	2.8
101.06071	1.6
104.12521	0.5
107.08660	0.7
113.06125	1.2
113.79199	0.5
115.07657	1.4
115.85239	0.5
116.03503	0.5
119.04996	0.5
123.08162	1.1
125.09715	4.0
128.03493	0.5
131.01753	0.8
131.03748	1.0
131.05342	1.1
131.83810	0.5
132.04521	0.8
138.05620	3.1
143.10779	1.8
144.18704	0.5
153.09224	1.8
155.10742	3.1
157.08733	0.8
157.12292	4.0
158.06102	0.6
166.06390	0.6
173.11815	11.3
174.12227	0.6
181.05055	0.9
183.18431	0.5
201.11310	17.3
201.13174	0.8
202.11656	0.6
219.12358	100.0
220.12692	3.6
261.00677	1.0
261.04425	1.2
261.08948	1.3
261.13425	15.2
262.13681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
58.03779	0.3
59.01376	30.9
60.01693	0.3
69.03433	0.7
70.01822	1.4
71.04999	0.6
73.02959	0.4
74.02467	3.8
74.92569	0.3
78.40870	0.3
79.95325	0.4
79.95732	3.7
80.96513	0.6
82.19359	0.3
85.06551	0.9
96.96014	1.6
97.06580	1.0
98.02452	1.0
99.08204	0.4
101.02428	0.3
102.98595	0.3
107.08646	0.5
109.06593	1.4
109.10226	0.6
111.08160	3.2
113.09715	0.4
116.03542	2.0
121.02922	0.9
121.10215	0.4
123.08119	1.2
125.09717	5.9
127.07616	1.0
128.03519	0.4
131.05367	5.4
132.04570	1.9
137.09651	0.5
141.09213	3.2
143.10770	12.5
144.04512	0.3
144.11116	0.7
153.09253	0.4
155.10765	1.6
157.12305	3.1
158.06058	0.3
166.06346	6.0
173.11783	0.7
179.07173	0.5
181.04976	0.3
181.08723	3.6
193.79533	0.3
201.06558	0.4
201.11307	12.6
202.11656	0.4
217.33043	0.3
219.12357	100.0
220.12671	3.0
247.53407	0.3
261.00467	0.6
261.04446	4.5
261.08752	1.8
261.13422	19.3
262.13757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10635	1.2
51.48796	1.2
55.01869	1.5
58.99604	1.4
59.01374	35.5
71.01360	3.5
71.59850	1.1
72.99268	1.5
73.02935	1.4
78.95885	1.5
79.48687	1.0
79.95727	2.3
80.96510	1.6
82.01951	1.0
83.01398	1.3
85.02936	2.4
87.00867	4.1
89.02358	1.2
96.96020	6.3
101.02454	3.1
101.04328	1.8
101.06069	5.5
102.98567	3.4
104.79136	1.1
113.02439	1.4
120.99651	1.4
125.99540	3.1
131.05025	10.0
131.07100	1.4
133.02948	33.0
133.06573	11.9
136.98756	1.5
137.02429	2.3
139.00362	1.3
149.02467	2.3
159.04503	63.3
160.04898	1.9
161.02429	35.4
161.05957	1.6
165.01935	2.2
173.02377	3.2
175.03938	3.4
176.04781	20.8
177.01910	17.0
178.86375	1.0
179.22482	1.1
183.06589	2.1
189.01912	9.2
189.05453	1.9
190.02696	2.2
191.07127	14.5
192.00635	7.5
193.01404	32.4
193.08670	13.1
203.03476	3.9
204.04283	6.9
205.01674	6.0
205.05037	71.7
206.05379	2.7
207.02968	29.2
219.06589	100.0
220.03661	3.5
220.06903	4.2
221.00885	7.6
233.00787	2.8
237.07658	85.8
238.07921	2.9
260.09369	1.6
263.05573	56.9
264.05942	3.1
280.29840	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.80385	0.4
60.01698	0.9
69.75477	0.4
71.01374	1.1
71.58778	0.4
73.02959	1.0
87.00870	0.5
96.96013	1.1
99.13854	0.4
101.02439	1.2
109.38869	0.4
113.02423	0.5
131.05000	0.9
132.05846	1.0
133.06934	1.8
134.77399	0.5
145.49846	0.3
147.04555	1.5
159.04518	1.0
161.02420	0.5
175.07709	0.6
187.64757	0.4
205.05153	0.9
219.02957	0.4
219.06604	1.3
263.05792	2.0
263.09634	0.7
275.75778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75647	0.3
58.99603	3.7
59.01102	0.4
59.01379	7.4
60.54054	0.3
61.45694	0.3
71.61691	0.4
87.00877	4.4
87.02730	2.8
89.38311	0.3
96.96010	0.5
102.98572	0.4
115.05825	0.5
116.55772	0.4
131.05370	1.7
133.06921	100.0
134.07310	2.3
142.51407	0.3
159.04468	0.5
203.07462	7.5
221.08510	18.5
222.08711	0.4
263.09531	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	263.1132
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
51.81070	0.5
53.60128	0.5
55.01877	6.0
57.01801	0.5
57.03451	4.0
58.00582	2.6
58.99611	0.7
59.01374	51.3
61.91343	0.6
67.01878	0.6
68.01130	0.5
68.99809	0.7
69.03458	1.4
71.01376	100.0
71.05016	20.7
71.32484	0.7
72.01722	0.9
72.99300	3.4
73.02940	24.8
73.06576	4.3
75.00874	2.0
76.32034	0.6
79.95751	0.6
80.96497	0.8
81.03442	0.8
83.01380	11.5
83.05019	9.9
84.02142	1.1
85.02943	39.7
87.00871	5.1
89.02438	26.0
89.03004	0.9
93.03427	0.6
95.01385	8.8
96.96002	1.4
97.02970	2.1
97.60886	0.6
99.00874	11.5
99.04520	1.4
101.02435	53.0
101.06071	40.5
102.02761	0.9
102.06432	0.8
111.00842	1.0
113.02441	39.8
114.02779	1.0
115.04023	0.8
116.22122	0.5
117.05589	0.7
119.03497	7.4
119.05014	1.1
122.97553	2.7
124.62856	0.5
125.02450	1.7
129.01938	1.6
131.03514	1.3
133.03165	0.6
138.98192	0.5
139.88622	0.6
143.03497	2.6
144.50839	0.5
154.18178	0.5
159.02982	6.6
161.04546	23.2
162.05042	0.7
163.03918	1.0
179.05626	0.6
181.04980	2.8
263.00385	2.7
263.05759	1.0
263.11276	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	265.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
69.33047	0.5
69.33456	1.8
71.05002	0.3
75.16544	0.3
79.95704	1.5
84.05791	0.2
96.96004	100.0
97.95931	0.3
98.20656	0.5
113.06091	0.3
185.11850	1.8
235.41975	0.3
265.07480	37.5
266.07788	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07180	0.6
55.01878	0.8
57.03440	2.9
58.00587	1.5
58.99561	1.0
59.01379	50.1
60.98204	0.7
65.36620	0.8
71.01377	22.1
71.04999	1.1
72.99307	3.6
72.99660	0.7
73.01186	1.0
73.02946	3.8
74.99118	0.9
75.00873	1.5
80.96510	1.4
83.01380	1.3
85.02948	21.7
85.60282	0.9
87.00870	2.8
89.00674	0.8
89.02443	20.2
91.08887	0.7
95.01390	1.9
96.96011	2.9
97.10048	0.8
98.20603	1.3
99.00885	1.3
99.04519	1.0
101.02441	14.2
103.04008	28.1
109.10707	0.7
111.00873	1.4
113.02444	9.9
115.00354	1.2
115.03882	0.6
116.44870	0.7
117.05579	15.3
118.98091	0.7
119.03490	8.2
120.99667	1.6
122.97553	3.6
124.97140	0.9
133.05070	0.8
135.01273	0.8
135.04842	5.1
135.98296	0.6
145.04968	1.1
150.96980	0.8
161.04564	1.3
165.75879	0.7
177.04054	0.7
179.05534	0.8
189.62909	0.7
191.05585	2.0
192.56372	0.8
221.06543	0.8
265.09280	100.0
266.09698	3.9
281.27176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91080	0.6
51.75050	0.6
55.01875	6.0
57.03445	6.1
57.36055	0.8
58.00587	2.5
59.01376	60.5
70.74074	1.7
71.01377	100.0
72.01717	1.2
72.99299	4.5
73.02943	28.5
75.00873	2.6
79.95740	1.3
81.03449	0.7
82.02973	0.9
83.01383	13.5
84.02168	0.9
85.02951	42.8
87.00871	4.9
87.04509	0.9
89.02437	17.6
95.01376	7.1
96.96004	1.9
97.02949	2.4
99.00874	11.5
101.02436	71.3
101.06075	3.0
103.07659	1.5
111.00880	1.9
113.02441	36.5
115.04019	0.7
115.54330	0.7
119.03515	4.8
120.99624	0.7
121.06622	0.9
122.97583	9.4
124.58515	0.6
125.02426	2.8
126.25047	0.7
129.01927	1.6
131.03546	0.8
135.04828	1.0
143.03540	3.3
144.99568	0.7
150.97066	0.9
159.02975	8.4
161.04543	43.1
162.04965	1.0
168.88831	0.8
168.98093	1.3
185.07327	0.6
186.89949	1.2
205.03400	1.3
263.04529	0.8
265.03912	2.1
265.07233	2.2
265.12881	28.5
266.13226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.9
59.01380	57.5
66.85459	1.8
71.01376	25.2
72.99308	15.7
75.00871	12.3
78.95921	12.3
84.99261	2.2
85.02953	21.9
87.00873	43.4
89.02435	8.1
91.05536	52.1
93.03452	2.4
95.01373	3.5
96.55195	1.9
96.96026	11.5
96.96955	35.9
99.00865	7.6
101.02429	6.0
103.00375	18.6
105.01934	2.6
112.98801	26.6
113.02453	29.4
116.05145	2.2
119.04998	9.4
122.06088	6.7
130.99872	5.8
135.04521	100.0
136.03059	2.6
136.04823	2.8
136.48515	1.9
140.39670	2.3
149.00916	100.0
161.02400	2.5
161.04561	4.4
163.03958	4.6
173.07968	5.9
179.03307	2.3
223.06129	4.5
224.00273	2.3
246.15858	2.2
249.05896	2.4
250.21156	2.2
267.07263	56.6
268.08163	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	267.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.8
59.01376	10.4
62.23042	0.5
63.80421	0.5
69.72771	0.9
69.73176	2.2
71.01392	2.8
72.99303	3.7
73.02915	0.9
75.00853	0.6
78.95901	42.1
79.95746	1.0
80.96525	0.6
83.01414	0.5
85.02956	1.2
87.00879	9.9
89.02438	0.8
91.05522	12.9
96.96957	100.0
99.00889	0.8
101.02428	1.6
103.00381	3.9
105.01919	0.9
112.98793	6.4
113.02441	1.7
116.00696	0.5
116.05030	1.0
119.05025	1.6
121.45055	0.4
122.06105	0.8
122.97572	0.8
130.99858	0.8
135.03479	1.1
135.04515	23.1
136.04863	0.5
141.74974	0.5
149.00903	22.8
150.01292	0.5
161.04509	0.6
163.04013	0.9
167.59534	0.5
167.61179	0.5
173.07904	0.6
223.06186	0.6
267.05133	1.9
267.07266	1.9
267.15924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54087	0.3
55.48884	0.3
59.01376	4.5
59.65805	0.3
60.59754	0.4
62.58129	0.3
63.17938	0.3
71.01377	1.4
71.42385	0.5
72.99313	1.1
73.02966	0.5
75.00874	0.4
78.95901	39.4
79.95724	0.5
82.57002	0.3
85.02951	0.9
87.00877	1.9
89.02455	0.6
91.05530	2.3
96.96958	100.0
101.02459	0.5
103.00391	0.8
112.98795	1.3
113.02412	1.2
116.05070	0.9
119.05028	1.4
135.04514	5.0
144.04611	0.5
149.00916	3.8
151.99602	0.3
161.04581	0.6
163.04015	0.8
179.07094	0.4
193.05092	0.3
196.00713	0.3
205.05171	0.3
223.09724	0.4
261.25388	0.4
267.04990	1.0
267.07144	0.9
267.09195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01867	1.3
57.03444	3.7
58.00577	0.6
58.99594	0.4
59.01377	22.9
59.87540	0.4
60.01715	0.5
67.01889	0.8
69.03431	0.6
70.37720	1.4
71.01379	33.5
72.99310	4.8
73.02943	1.0
75.00872	15.8
83.01411	0.9
84.02143	0.6
85.02946	30.5
87.00878	12.7
87.01300	0.4
89.02441	10.5
91.03997	1.0
95.01398	4.8
99.00874	9.3
101.02434	1.9
103.00356	2.7
111.00913	0.7
112.01680	1.0
113.02445	40.8
114.02779	0.7
115.00363	2.3
117.01902	2.9
119.03474	1.1
129.01923	2.1
131.03481	0.8
136.93990	0.8
149.04553	1.3
175.02463	1.9
205.07213	0.8
207.05109	1.9
249.06154	5.4
267.07184	100.0
268.07532	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	267.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75567	0.6
55.01866	1.2
57.03442	3.6
58.00594	0.6
58.99587	0.6
59.01374	28.5
61.98823	4.3
71.01376	33.2
72.99303	3.6
73.02941	1.9
75.00866	12.0
83.01363	1.3
84.02163	1.0
85.02948	30.7
86.94985	0.6
87.00866	15.5
87.01372	1.1
89.02437	9.9
91.03968	0.9
92.96618	0.6
95.01385	4.9
99.00870	7.2
101.02444	6.8
102.69054	0.6
103.00378	2.5
104.49982	0.7
105.05521	0.7
113.02443	38.6
114.02773	1.2
115.00381	1.4
116.05073	2.2
116.92390	0.6
117.01934	2.3
119.03523	1.3
119.05018	2.6
120.99667	0.8
122.77587	0.6
124.97111	0.9
129.01912	2.5
131.03508	0.7
135.04529	0.7
144.04568	2.4
157.01402	1.1
161.04515	1.9
163.03970	1.5
174.87117	0.6
175.02490	2.3
179.03726	1.0
207.05093	1.6
249.06192	4.3
267.07208	100.0
268.07574	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	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66550	0.6
55.01863	0.9
57.03447	4.2
58.00593	0.6
59.01378	20.5
70.72562	1.3
70.72881	0.9
71.01376	28.8
72.99293	3.4
73.02934	1.3
75.00869	12.8
83.01383	1.3
85.02945	26.4
85.03461	1.4
87.00875	12.4
89.02440	7.8
91.04013	1.2
95.01395	4.1
99.00888	6.4
101.02451	1.1
103.00382	2.4
112.01636	0.8
113.02444	34.9
115.00394	1.6
117.01933	3.0
117.92594	0.6
129.01915	1.3
131.03490	1.0
175.02489	1.5
205.07126	0.8
207.05087	1.4
241.77293	0.8
249.06104	4.3
267.07187	100.0
268.07495	2.9
268.16000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89995	0.4
59.01374	0.8
61.98828	100.0
67.21713	0.4
71.01380	0.5
71.59917	0.7
116.05099	0.5
116.38987	0.4
121.41374	0.4
134.94817	0.4
135.03186	0.6
142.99817	0.5
248.36395	0.4
268.07642	2.0
276.29166	0.5
286.30826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.2
59.01363	0.6
65.00297	0.4
69.03429	0.4
69.98722	0.3
85.52902	0.3
86.01610	0.9
89.00336	0.6
90.01094	0.3
98.20628	0.9
113.00303	0.3
114.01078	0.4
121.06564	0.3
127.38604	0.2
130.00587	5.5
137.09714	6.0
142.00574	2.6
146.00116	1.3
153.09171	0.8
155.10768	35.0
156.11082	1.4
158.00076	4.0
161.99577	0.3
163.11296	1.8
165.12840	8.0
170.00145	0.3
173.99548	1.0
175.79982	0.4
181.08694	16.4
181.15955	4.9
182.09070	0.8
185.99561	6.3
197.99597	2.4
199.09743	1.0
204.50958	0.3
205.12318	0.6
207.13875	6.6
208.14212	0.5
213.99121	0.4
225.14938	15.6
226.15244	0.6
241.98616	1.1
251.12854	3.8
269.01071	1.3
269.13907	100.0
269.98032	13.0
270.14240	5.3
291.14047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70052	0.5
53.00307	0.9
57.03437	0.7
57.71679	0.5
59.01366	0.7
61.29409	0.5
64.14867	0.5
69.56184	3.7
71.01368	6.2
74.99098	1.7
78.91881	5.9
78.95898	38.8
83.01392	0.5
87.00863	1.5
96.96037	17.5
96.96956	100.0
99.00873	1.6
112.98796	1.4
124.98808	3.2
140.98341	0.7
142.99855	41.7
144.00171	1.0
173.00902	19.5
191.05626	5.5
203.72864	0.6
222.59688	0.5
270.98694	0.7
271.01248	2.7
271.04849	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	271.0609
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.22193	0.1
59.01379	0.4
59.98799	0.2
63.02397	9.7
65.00321	15.5
68.99817	0.3
71.59768	0.2
81.03453	0.4
83.01382	9.8
93.03455	12.4
94.03799	0.2
95.01370	0.2
101.73703	0.1
107.01386	24.9
108.02186	0.6
108.99310	0.4
109.02975	0.5
117.03445	0.3
119.05022	68.9
120.05363	2.2
121.02939	0.8
125.02445	1.2
133.02937	0.5
137.02402	0.4
139.68242	0.2
143.01439	0.2
143.05020	0.8
145.02930	1.4
151.00360	64.1
152.00676	1.7
157.06580	0.4
161.06079	1.5
164.01105	0.2
165.01927	3.6
169.01427	2.7
177.01921	8.9
178.02295	0.2
181.06595	0.2
185.06047	1.4
187.03987	2.3
197.23026	0.2
198.80989	0.2
199.07629	0.1
201.05557	0.2
209.06149	0.3
212.04961	0.2
214.99858	0.5
227.07185	1.2
229.05016	0.5
241.05008	0.3
253.05089	0.3
256.07422	0.3
271.06094	100.0
271.19135	0.9
271.22766	0.5
271.99585	0.2
272.06415	5.6
281.94373	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.70240	0.5
55.78714	0.4
59.01374	0.7
63.02391	9.0
65.00320	15.3
68.37016	0.4
69.23750	0.4
70.87954	1.2
74.07613	0.5
75.37424	0.4
81.03471	0.5
83.01383	10.8
93.03455	14.3
107.01385	24.1
108.02227	0.7
109.02954	0.8
119.05021	69.6
120.05359	1.7
121.02969	0.8
125.02422	1.5
130.00589	0.5
131.00938	1.0
137.02386	0.5
141.42201	0.4
143.01358	1.6
143.05042	1.0
145.02954	0.8
148.36880	0.5
151.00357	63.5
152.00694	1.1
159.00401	1.1
161.06033	0.9
165.01889	3.2
169.01410	2.2
169.62605	0.4
171.00864	1.1
176.98778	0.8
177.01930	9.9
177.05559	0.8
178.02274	0.4
185.06041	1.2
186.99875	1.5
187.03966	2.9
198.99948	0.7
214.98006	0.7
214.99860	7.0
220.07433	0.7
227.07011	1.0
235.09650	1.0
242.99254	7.2
253.04961	0.5
270.98489	6.0
271.06094	100.0
271.15561	1.6
271.22769	1.5
272.06433	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
66.15305	0.7
69.73990	4.2
71.01395	2.2
72.98706	0.8
72.99334	1.8
73.02932	0.7
74.02488	0.9
75.48181	0.7
83.01384	1.8
99.00886	3.4
99.05634	0.9
108.02158	2.0
109.02966	0.8
109.06611	1.2
111.00895	1.1
112.98817	6.7
115.00392	1.6
118.20999	0.8
121.06525	0.7
123.08144	1.1
125.02505	1.2
128.03525	2.0
141.57655	0.7
142.99866	4.1
143.04608	3.7
147.02940	1.0
153.05568	2.9
157.81760	0.8
167.07147	1.5
173.00900	2.9
174.01680	100.0
175.02087	2.6
176.01108	1.7
179.04797	0.9
191.05391	0.8
193.04904	0.9
224.93518	0.8
241.05142	1.3
253.08525	0.8
254.07907	0.9
270.98853	2.3
271.08234	2.1
271.11050	1.2
271.15479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62475	3.3
54.01686	3.3
59.01376	20.6
62.22875	3.7
63.92640	4.1
71.01371	7.3
71.05007	4.4
71.60912	6.3
72.99316	4.4
73.02975	5.5
79.95721	5.8
80.96512	6.8
87.00878	6.9
96.95993	4.4
99.00857	8.2
108.02160	14.9
109.02946	7.8
111.00900	10.3
112.98794	7.6
121.06524	3.8
123.00813	4.3
125.02428	9.0
129.14227	4.6
132.04128	6.8
137.10962	3.9
143.04584	5.9
147.06451	12.0
153.05550	7.7
167.07030	3.8
169.01448	5.0
174.01680	100.0
183.45047	3.6
184.05159	7.6
211.02509	13.2
211.06087	5.1
213.05595	10.8
217.62172	4.0
227.02032	6.0
227.05624	20.9
241.04961	25.6
256.07324	17.4
260.69391	4.6
271.01401	8.0
271.04605	12.6
271.07950	7.3
271.22656	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	271.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
68.29363	0.5
71.60824	0.6
77.21760	0.6
79.95732	1.4
83.04955	0.6
90.53391	0.6
96.96003	100.0
99.00993	0.6
108.02193	1.4
109.02973	0.9
115.04007	1.6
124.01335	0.5
125.02447	0.8
125.09731	1.2
146.90627	0.5
158.13962	0.5
166.90480	0.5
173.11818	1.0
241.05070	0.8
249.09911	0.6
270.98566	0.8
271.10052	57.5
271.19147	5.6
271.22797	2.0
272.10471	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	271.1912
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
56.77131	0.4
57.03438	0.7
59.01355	0.7
61.98838	0.8
69.93016	0.5
69.93321	2.3
78.32964	0.4
86.48658	0.4
98.19888	0.8
108.02150	1.3
109.02955	0.5
125.02412	0.9
130.81631	0.4
156.22383	0.4
209.19096	54.3
210.19510	2.6
227.20146	1.4
241.04980	0.9
253.18069	40.7
254.18410	2.4
256.07465	0.7
271.19128	100.0
272.19415	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	273.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98678	0.4
59.01376	1.0
61.28401	0.3
61.41702	0.3
69.88767	1.8
71.01378	21.7
72.01721	0.4
79.95734	6.7
80.96512	4.5
80.96945	0.5
84.04538	0.6
85.02955	0.4
87.00869	0.9
90.60500	0.3
94.98082	8.5
96.96015	0.4
106.98061	0.8
118.94370	0.3
119.67791	0.3
120.99627	2.0
121.02951	29.2
122.03255	0.9
122.97575	100.0
123.97933	0.7
150.97061	12.4
163.00421	0.6
165.01915	1.3
176.11980	0.4
178.02724	0.4
191.05585	1.1
193.01401	1.6
193.05115	1.0
210.71840	0.3
242.92027	0.4
243.63039	0.4
272.97626	0.6
273.00699	15.4
273.09753	1.0
274.01089	1.1
288.91193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50491	0.4
59.01364	1.0
64.71075	0.4
66.43096	0.3
67.22256	0.4
67.28434	0.4
68.31772	0.4
69.36790	3.6
70.97170	0.4
72.13625	0.4
78.51214	0.4
79.95741	3.2
81.18368	0.4
84.74549	0.3
90.98581	0.7
91.80951	0.4
96.78918	0.5
96.96001	9.8
106.04218	0.9
111.00894	1.1
113.02570	0.5
121.02948	1.6
133.02937	0.9
134.03735	46.1
135.04054	1.7
137.02440	9.0
139.03973	2.3
143.01706	0.5
149.06075	17.3
150.03156	0.8
150.06413	0.4
161.04955	0.4
165.46478	0.4
175.02492	0.4
178.02704	35.1
179.03036	1.6
180.30360	0.4
192.47166	0.4
193.05046	100.0
194.05423	3.4
211.09727	0.4
229.01729	1.8
255.08624	0.6
264.59616	0.4
273.00723	20.3
273.09515	0.9
273.12454	0.8
274.01117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0073
Annotation	Ferulic acid 4-sulfate
Peak:m/z	Relative Intensity
57.03435	0.4
59.01371	2.4
60.19331	0.4
69.64233	2.8
72.41570	0.5
79.95744	4.5
80.14745	0.5
82.76712	0.4
93.03462	0.6
96.96001	11.2
98.20708	0.7
109.02867	0.4
111.00871	0.8
120.99669	0.6
121.02948	2.2
122.97556	0.5
133.02983	2.1
134.03737	60.8
135.04050	1.2
137.02431	10.3
139.03975	2.5
143.05322	0.7
149.02455	0.6
149.06073	19.5
150.03239	1.0
150.06418	0.6
165.01920	0.6
178.02702	42.0
179.02991	1.0
193.05038	100.0
194.05428	3.7
211.09787	0.5
229.01668	1.9
231.12379	2.4
273.00717	29.4
273.12964	1.9
274.01077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
64.97031	0.5
65.41880	0.3
70.03246	1.1
71.01376	21.5
72.01699	0.3
79.95732	7.3
80.91682	1.0
80.96507	5.8
85.02946	0.4
87.00874	0.6
94.98078	10.2
96.96013	0.9
103.00379	0.4
106.98094	0.8
107.04983	0.3
120.99627	2.7
121.02950	28.7
122.03279	0.7
122.97575	100.0
123.97877	1.0
150.95847	0.6
150.97061	11.5
168.99962	0.9
187.14523	0.3
191.05566	0.4
231.08827	0.5
273.00732	16.1
273.09796	0.6
274.00931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1135
Annotation	Clandonensine
Peak:m/z	Relative Intensity
57.03413	2.8
59.01375	25.8
59.66936	0.6
62.72762	0.7
69.52122	4.1
71.05013	5.1
71.88725	0.8
72.99287	0.9
73.02880	1.1
81.03420	2.1
83.04993	1.0
96.95983	3.0
97.06565	1.1
99.04478	2.2
101.04231	1.4
109.06544	0.8
111.08128	3.0
113.02420	0.9
120.99609	0.8
123.08138	3.8
123.71079	0.8
123.86681	0.7
125.02399	0.9
125.09720	25.1
127.07634	0.8
131.03494	1.7
135.08133	1.9
138.05606	0.7
143.10725	1.5
151.07643	0.9
153.09200	18.7
155.07121	1.7
169.08710	7.5
171.10272	43.6
172.10622	2.1
173.08195	8.2
183.09302	1.7
187.09773	3.7
197.08202	3.9
215.09225	100.0
216.09587	4.4
233.10283	55.3
234.10649	2.2
245.09355	1.2
275.02060	3.3
275.05649	1.3
275.11365	26.6
276.11606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Clandonensine
Peak:m/z	Relative Intensity
59.01377	100.0
59.26922	0.9
60.01721	0.7
71.19534	1.3
79.95750	1.1
83.03712	0.7
83.59021	0.8
93.07052	0.8
96.96014	0.8
97.02950	0.7
97.06604	1.9
101.04302	2.0
102.98570	0.9
105.92146	0.8
106.55138	0.8
109.06596	5.5
111.08150	12.9
125.09714	22.9
126.10032	0.8
127.07629	4.9
135.08206	1.2
137.06140	0.7
140.05911	2.3
153.09200	12.4
155.07120	6.2
171.10260	85.1
172.10600	4.3
173.08174	42.0
174.08527	1.4
175.08662	1.1
187.09718	1.3
193.05016	1.0
195.06654	3.0
197.08208	6.5
215.09222	71.4
216.09497	3.3
233.10272	52.4
234.10602	2.6
263.15826	0.8
275.02206	3.0
275.11362	39.5
276.11743	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	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08325	0.4
59.01369	0.4
67.24191	0.3
70.39130	1.1
72.99318	1.2
78.95895	2.4
79.95746	0.4
83.58707	0.3
92.05048	3.5
92.96014	0.3
96.95371	0.7
96.96003	12.3
96.96964	0.6
117.84021	0.3
119.93616	0.3
134.96101	0.7
134.97047	6.7
136.04019	0.9
136.94000	100.0
137.94067	4.9
148.60312	0.4
168.99951	0.3
176.98042	2.3
178.95033	2.7
216.89647	99.0
217.89700	5.4
218.92909	0.3
232.99712	0.9
233.13004	1.6
234.90714	21.1
235.90742	1.1
237.00194	0.3
247.87036	0.5
251.14005	0.4
258.87485	0.7
276.88403	1.5
276.91721	2.9
276.98343	5.2
277.21609	1.8
277.98233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0926
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
51.16530	1.3
52.99768	1.4
55.01866	6.7
55.02123	1.5
57.03441	5.7
59.01374	41.5
70.40120	2.4
70.40459	2.7
71.01376	100.0
71.05016	5.6
72.99302	3.5
73.02944	30.2
73.77868	1.5
75.00864	5.3
78.95910	4.0
81.68115	1.4
82.69719	1.8
83.01380	12.6
84.95147	2.0
84.95657	1.7
85.02944	47.0
87.00874	7.8
89.02426	13.6
95.01385	6.8
96.95996	2.5
96.96953	4.5
97.02947	2.0
98.19817	1.6
99.00876	13.0
101.02431	56.7
101.06123	1.6
105.01924	3.2
113.02441	36.6
113.06039	1.5
115.04005	44.6
119.03499	2.8
120.99637	12.2
125.02493	2.7
129.05539	2.2
131.03506	4.8
143.03508	3.2
159.02980	8.8
161.04547	31.4
179.57376	1.4
189.05711	1.6
200.40759	1.5
205.03625	1.7
233.10350	9.0
267.32117	1.8
277.09290	27.7
277.21689	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	277.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57775	0.5
55.01882	1.0
57.03452	4.0
59.01372	2.0
66.24517	0.4
69.03447	2.2
69.48975	2.7
71.01383	2.2
71.05025	0.5
72.99311	3.1
73.02942	0.6
75.00859	1.2
79.95728	3.8
83.01382	0.7
85.02948	41.0
86.03265	0.5
89.28246	0.4
96.96014	1.7
98.19918	0.9
99.00877	6.5
101.02457	1.1
101.06072	6.1
101.36697	0.4
113.02449	4.5
117.01913	0.6
119.05058	0.4
120.99617	0.8
122.97567	1.0
129.01935	6.6
131.03494	100.0
132.03816	2.1
145.06847	0.6
146.08246	2.1
147.02988	0.8
147.04800	0.5
157.01364	2.9
163.62801	0.5
173.08424	0.5
175.02458	13.8
193.03496	2.0
196.98207	4.4
217.09729	0.7
264.87036	0.4
270.98813	0.4
277.03638	0.5
277.09619	4.2
277.12445	1.4
277.21671	8.8
298.98352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74861	0.3
55.01888	0.6
57.03445	4.3
59.01377	2.0
61.57160	0.3
69.03457	1.4
69.61739	1.9
71.01382	1.2
72.99310	1.7
73.02957	0.5
75.00873	1.1
79.95746	0.9
80.96476	0.3
85.02946	43.5
86.03304	0.5
95.46564	0.4
96.96026	0.5
98.19908	0.4
99.00862	3.2
101.02439	0.5
101.06076	4.7
113.02442	3.5
120.99645	0.5
121.02985	0.5
129.01930	2.9
131.03497	100.0
132.03842	2.0
144.09711	0.3
147.02914	0.5
157.01419	2.6
174.41615	0.3
175.02449	9.6
193.03532	1.0
256.17499	0.4
277.09497	3.2
277.21689	7.7
278.12115	0.4
278.22058	0.4
280.19559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01177	1.0
59.01499	3.6
60.97596	0.6
61.98902	0.7
65.99975	0.4
71.01460	0.5
89.02612	0.5
98.19818	0.6
103.02343	0.9
121.00341	0.4
121.03198	3.6
129.05644	0.4
139.04376	0.4
140.41777	0.4
146.99506	1.0
147.08466	3.7
150.47006	0.4
152.91832	1.3
165.00418	10.1
166.00557	0.6
174.07330	0.5
180.99953	0.7
189.04126	1.4
191.05626	11.7
192.05707	0.4
194.92818	2.2
195.93300	0.6
205.07179	1.1
205.16043	1.5
207.05208	0.7
217.07135	0.8
231.08783	1.4
233.10307	100.0
234.10422	7.3
259.15448	1.1
267.95432	0.4
277.16479	84.8
277.21173	20.4
278.16708	7.9
278.21878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.74925	0.2
54.26239	0.2
56.57105	0.2
59.01378	1.6
66.54868	0.2
71.01395	0.3
71.46900	0.2
79.29913	0.2
79.62663	0.2
83.05042	0.3
118.10792	0.2
122.67649	0.2
233.22717	0.4
259.20551	0.5
275.20084	0.3
277.21695	100.0
278.22034	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	279.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01371	4.1
61.60880	0.2
69.49070	2.1
71.01392	0.5
79.95717	2.6
83.05003	0.5
85.02943	0.9
87.00876	1.3
89.02456	0.4
96.96004	100.0
97.95936	0.3
98.20709	0.5
101.02398	0.4
107.08657	5.5
109.06609	0.4
112.04011	0.3
120.99606	0.5
121.06585	0.5
124.07665	0.4
131.03467	0.5
137.09656	1.3
138.82954	0.3
139.07660	0.7
149.06444	0.4
159.70131	0.2
160.24426	0.2
163.30630	0.2
191.07234	0.4
197.48369	0.8
199.09727	4.8
201.20609	0.3
202.56918	0.3
215.74142	0.3
217.05354	6.3
219.03285	4.6
235.06239	0.4
279.05411	44.6
279.23233	2.1
280.05643	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	279.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31567	0.8
57.03419	1.2
58.00589	3.5
59.01376	100.0
59.80776	1.1
61.02025	1.0
71.01378	52.1
71.05001	0.8
71.34104	1.4
72.99296	4.5
73.02948	1.9
83.01368	2.8
85.02949	9.1
87.00912	2.0
89.02439	70.3
95.01385	3.1
96.96028	1.5
99.04508	2.2
101.02438	32.2
113.02443	22.2
117.05566	6.6
119.03492	33.6
131.03503	2.0
143.03511	4.4
149.04521	1.4
161.04514	2.8
179.05615	3.8
237.52969	1.0
279.05420	2.5
279.10828	46.1
279.23264	3.5
280.11179	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	279.1084
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01864	1.4
58.00578	2.9
59.01376	100.0
60.61992	0.7
65.13287	0.8
71.01377	53.8
71.05034	1.2
71.34030	1.3
72.99291	3.5
73.02951	1.3
83.01387	1.6
85.02950	10.8
87.00863	3.0
89.02438	67.8
95.01385	3.3
96.96024	1.8
99.04516	6.2
101.02431	31.3
113.02448	21.7
114.02820	1.1
114.51542	0.9
117.05543	3.1
119.02645	1.8
119.03492	28.8
131.03496	2.8
132.63979	1.1
143.03471	4.7
149.04559	1.5
159.56804	0.9
161.04536	3.6
179.05589	6.1
194.64592	1.0
256.35687	0.8
257.20139	1.0
279.10831	58.7
279.23175	3.3
280.11115	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.43162	0.2
59.01366	0.5
61.98822	0.2
69.75072	0.4
69.75483	0.5
71.01377	0.2
75.74672	0.2
76.13317	0.2
98.19971	0.3
123.93727	0.2
196.36887	0.2
261.22263	0.4
279.23257	100.0
280.23593	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	280.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.3
59.44199	2.0
61.42267	1.8
67.94874	2.2
71.01374	2.6
71.59231	2.0
71.59680	2.3
79.95739	12.3
88.96499	1.8
93.03424	5.7
95.05016	5.5
95.95226	4.9
96.96007	100.0
97.02918	4.2
107.05091	2.0
108.02193	1.9
109.02942	40.5
117.03458	3.0
121.02974	6.0
122.03723	2.4
123.04525	54.6
124.04813	4.6
125.02438	2.6
135.04485	3.8
137.02380	5.6
139.03929	2.3
142.06593	8.1
145.02928	6.5
149.02365	2.5
151.04013	15.0
155.63110	2.1
163.04001	16.3
165.01869	5.7
173.23553	2.0
198.06229	10.2
198.56392	4.4
205.05028	3.3
222.02213	4.2
257.08493	6.3
258.09018	8.6
258.59213	4.7
280.08627	33.2
280.23480	6.2
280.58838	9.7
281.08817	2.2
281.14139	2.3
281.24802	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	280.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.3
59.44199	2.0
61.42267	1.8
67.94874	2.2
71.01374	2.6
71.59231	2.0
71.59680	2.3
79.95739	12.3
88.96499	1.8
93.03424	5.7
95.05016	5.5
95.95226	4.9
96.96007	100.0
97.02918	4.2
107.05091	2.0
108.02193	1.9
109.02942	40.5
117.03458	3.0
121.02974	6.0
122.03723	2.4
123.04525	54.6
124.04813	4.6
125.02438	2.6
135.04485	3.8
137.02380	5.6
139.03929	2.3
142.06593	8.1
145.02928	6.5
149.02365	2.5
151.04013	15.0
155.63110	2.1
163.04001	16.3
165.01869	5.7
173.23553	2.0
198.06229	10.2
198.56392	4.4
205.05028	3.3
222.02213	4.2
257.08493	6.3
258.09018	8.6
258.59213	4.7
280.08627	33.2
280.23480	6.2
280.58838	9.7
281.08817	2.2
281.14139	2.3
281.24802	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	281.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31177	0.6
58.56175	0.7
58.99599	1.9
59.01377	6.0
60.59319	0.6
60.99299	10.9
69.54564	4.5
70.93980	0.8
71.01374	6.6
71.46891	0.7
73.02965	0.9
74.99107	1.1
83.05341	0.9
85.02944	5.0
87.00877	2.6
88.98801	100.0
89.02458	1.0
89.99134	0.9
95.01363	1.4
98.20099	2.6
101.02449	2.0
102.17903	0.7
111.00891	1.0
112.98843	1.1
113.02439	5.3
119.03510	0.7
120.99652	0.9
122.80612	0.8
130.96414	0.8
132.79364	0.7
149.00652	2.1
173.00882	1.0
192.99669	1.9
236.98483	1.3
280.50815	0.8
281.03668	1.2
281.08905	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	281.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22784	0.4
56.96193	0.4
59.01374	34.1
59.02730	0.3
60.01719	0.5
70.61999	0.8
71.01381	1.0
73.02944	0.6
79.95714	4.3
80.96520	2.1
85.02943	0.9
89.02439	0.8
90.39362	0.4
91.12737	0.4
96.96004	100.0
98.20544	0.6
101.02409	0.9
113.02399	0.6
134.03743	0.8
141.09219	2.1
144.79631	0.5
161.04623	0.6
174.05557	0.6
178.02797	0.6
183.10216	0.7
193.05122	1.4
201.11304	17.6
202.05127	0.5
202.11658	0.9
218.39229	0.4
219.06934	31.9
220.07181	1.0
221.04848	19.4
222.05215	1.3
281.06967	87.6
281.24753	1.7
282.06802	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	281.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44716	1.0
53.23159	1.0
55.01875	5.8
57.03439	4.2
58.00580	3.3
59.01377	98.9
60.01727	1.9
69.03426	1.3
71.01378	100.0
71.58065	1.1
72.99290	3.3
73.02945	21.1
75.00860	2.0
83.01376	11.7
85.02946	37.8
86.03286	1.2
86.66719	1.1
87.00876	6.2
87.04485	4.0
89.02438	53.0
95.01379	6.9
97.02946	2.4
98.41403	1.2
99.00880	8.6
101.02438	77.0
101.06091	1.3
102.02756	1.2
104.36963	1.1
113.02441	37.4
114.02697	1.2
119.03488	22.8
119.07131	11.6
125.02437	1.2
129.01959	1.4
131.03452	2.7
133.05070	2.6
143.03519	7.2
145.40802	1.1
149.04567	1.7
159.02946	6.9
161.04547	49.9
162.18961	1.5
179.05594	4.9
179.09178	1.5
205.03510	1.2
281.09152	2.1
281.12381	61.4
282.12772	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	283.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.8
59.01373	31.8
59.94311	0.7
61.98824	1.3
64.49535	0.7
67.11712	0.6
68.69685	0.7
69.26960	7.8
71.01376	0.9
71.57153	0.7
85.02956	0.9
95.05018	1.1
97.06574	10.6
101.02420	2.7
123.08150	5.9
125.09710	83.4
126.10040	3.1
127.07650	1.0
131.03510	1.0
141.09196	2.8
150.64838	0.8
153.46214	0.7
155.55032	0.7
157.03558	1.0
161.04539	1.1
163.06128	4.6
169.08661	2.8
187.09727	2.4
200.94498	2.1
201.02501	12.9
202.02753	1.6
223.08163	3.1
268.03781	1.8
279.08398	0.7
283.06100	2.1
283.19376	21.2
283.22812	7.1
283.26364	100.0
284.02997	0.9
284.19339	1.4
284.23352	1.1
284.26675	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	284.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38153	0.6
59.77977	0.6
67.81644	0.7
70.97862	0.6
70.98197	1.2
72.99307	8.8
76.95058	0.6
79.95724	9.5
80.96508	1.2
96.96041	3.2
96.96570	0.5
116.05052	13.9
117.05341	0.7
128.05054	6.1
130.06630	6.6
132.04507	0.8
142.06616	47.8
143.06946	2.2
144.04500	1.0
158.06102	36.1
159.06439	2.0
172.03926	0.9
186.05585	15.6
196.00774	0.8
199.69128	0.6
204.06639	73.3
205.07021	3.7
210.02286	11.8
211.02621	0.7
222.02266	18.5
223.02655	1.2
238.01733	2.5
245.24269	0.6
283.23737	0.6
283.26361	3.5
284.02316	100.0
284.26694	0.9
285.02594	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
62.26810	0.4
63.30503	0.4
65.43084	0.4
71.36115	0.7
78.09938	0.5
79.58038	0.4
81.03467	0.9
91.15284	0.4
93.03417	0.4
108.02165	100.0
109.02988	13.5
121.02956	0.5
123.04505	0.7
133.02954	0.7
151.04042	1.1
152.01138	65.8
153.01929	32.3
154.02242	0.7
162.24373	0.4
163.04016	1.1
165.01958	0.9
208.83727	0.4
285.06128	70.5
286.06500	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	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23868	0.4
59.01368	1.3
61.78074	0.4
61.98851	0.7
65.52737	0.4
67.43712	0.4
71.01369	0.7
71.59608	0.5
71.59995	0.6
72.99312	0.8
74.99126	0.6
78.95907	0.8
81.03455	1.0
82.03021	0.5
82.68559	0.4
85.02940	0.8
93.03457	1.4
96.96001	1.8
101.02442	0.7
108.02169	100.0
109.02972	19.4
110.98544	0.5
111.00873	3.9
117.02005	0.4
121.02967	1.0
122.03774	1.2
123.04548	1.0
133.02881	0.7
135.00862	0.5
137.02434	1.7
138.05618	0.6
151.04012	1.5
152.01141	66.5
153.01932	34.4
154.02318	1.3
154.99969	0.9
163.03976	1.4
165.01993	1.2
166.80138	0.5
173.00887	1.1
173.20361	0.4
225.04083	0.7
285.06140	82.4
286.06433	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
57.03437	0.4
59.01368	1.5
60.66841	0.4
70.62063	0.3
71.01383	0.6
71.57502	0.6
72.99302	0.6
74.99111	0.4
78.91889	1.1
78.95898	0.6
81.03441	1.2
82.02978	0.5
83.05019	0.5
84.04543	0.3
85.02943	1.1
87.00853	0.7
93.03462	1.0
95.01402	0.6
96.96029	2.3
97.02953	0.4
100.77243	0.4
101.02415	0.9
101.85561	0.3
108.02168	100.0
109.02982	19.3
110.03312	0.4
110.98540	0.5
111.00853	0.7
113.02463	0.4
121.02931	0.9
122.03738	1.8
123.00893	0.3
123.04511	1.4
133.02951	0.6
135.00879	0.9
135.04465	0.7
137.02432	1.2
138.05609	0.8
151.03993	2.0
152.01143	65.9
153.01933	33.1
154.02254	1.0
161.04501	0.4
163.04001	1.1
165.02066	1.2
165.05504	0.5
226.07121	0.6
257.32687	0.4
273.67215	0.4
285.06149	72.2
285.26880	0.4
286.06531	5.3
286.09686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16057	0.4
56.52161	0.4
57.49841	0.5
59.01373	1.1
65.63406	0.4
70.89912	1.0
70.93750	0.4
78.95895	0.5
81.03448	0.9
93.03455	1.2
108.02168	100.0
109.02992	14.5
119.05024	1.0
119.17761	0.4
120.99630	0.8
121.02933	0.6
123.04578	0.8
124.00792	0.6
127.96748	0.5
133.02907	1.0
135.00877	0.7
137.02431	1.0
151.03993	1.6
152.01143	65.4
153.01932	31.4
154.02263	1.2
163.04019	1.2
165.01891	1.1
179.93709	0.4
184.54932	0.5
273.14490	0.4
280.62875	0.5
285.06134	70.1
286.06451	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	285.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	1.0
69.92772	3.1
73.02934	0.9
74.68407	0.6
93.03481	0.9
100.14538	0.5
107.01326	0.7
128.59268	0.6
133.02965	2.1
139.11237	0.7
151.00409	1.2
175.03909	0.8
181.12326	98.6
182.12666	5.5
199.04031	0.6
222.28394	0.5
225.11319	12.6
226.11665	1.1
229.05028	0.7
243.12241	3.5
265.32300	0.7
285.04034	22.6
285.13419	3.8
285.16583	0.9
285.27145	0.8
286.04395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09120	0.3
59.01377	100.0
60.01704	0.8
70.97517	0.7
71.01379	3.2
72.99312	1.2
79.95745	0.7
80.64941	0.4
81.03493	0.6
83.05016	3.7
83.05393	0.3
85.02961	0.5
89.02445	4.3
90.59011	0.3
96.96033	1.1
101.02456	1.2
111.99433	0.4
113.02460	1.3
117.05429	1.0
119.03517	1.5
119.05022	10.9
120.05360	0.5
120.99650	21.7
124.03833	0.3
130.06633	0.4
133.27956	0.4
142.06616	1.6
143.06966	3.4
144.46542	0.4
145.04689	0.4
148.31572	0.4
158.06046	0.8
159.06456	2.6
163.04033	1.3
163.64111	0.4
164.97234	0.4
175.04027	0.6
179.05641	1.0
187.05992	0.8
204.06708	1.4
204.20290	0.4
205.06975	5.8
207.15105	1.0
210.02522	0.4
211.02684	0.8
223.02596	1.6
225.16072	14.0
226.16425	0.8
285.02597	8.2
285.09814	1.2
285.13391	0.6
286.02054	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	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03440	0.9
59.01375	3.7
61.98825	1.9
65.83970	0.4
70.86342	0.8
78.79850	0.4
78.95901	0.9
96.95976	0.5
115.42429	0.3
121.02930	0.4
151.00230	0.4
152.91740	1.2
194.92799	0.7
202.98570	0.5
203.02237	0.6
221.19040	1.0
223.20650	60.5
224.20987	4.3
226.88936	0.4
241.21750	1.8
267.19626	36.3
268.19986	2.2
285.04147	0.7
285.20688	100.0
286.21045	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	286.2386
Annotation	Prosopinine
Peak:m/z	Relative Intensity
55.21088	0.3
59.01361	1.3
61.98838	1.8
70.02975	0.8
70.87063	0.4
70.87411	0.6
72.04515	0.4
72.89645	0.3
74.06101	1.8
117.07085	0.5
118.05099	0.9
125.02427	0.4
128.63902	0.3
240.23302	3.0
242.21210	1.4
243.06746	0.3
258.37643	0.3
268.22830	1.3
286.23846	100.0
287.24237	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	287.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
65.96242	0.3
71.01377	26.6
71.12503	0.9
72.99291	0.5
75.92628	0.4
79.95732	9.5
80.96513	7.7
87.00867	2.3
91.05531	3.9
93.03433	0.4
94.98083	11.6
96.96010	0.9
101.02460	0.4
106.98113	0.5
120.99660	0.7
122.97576	100.0
123.97791	0.6
125.02461	3.1
135.04509	3.1
145.63133	0.5
150.97057	17.4
168.98116	41.4
169.98410	0.9
197.04520	0.5
205.07137	0.4
219.68327	0.4
227.02420	0.4
253.24065	0.4
286.99036	0.8
287.02289	15.1
287.05286	0.7
287.11188	0.7
288.02560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Robtein
Peak:m/z	Relative Intensity
52.31384	0.7
57.03449	7.3
59.01373	1.9
65.00314	0.8
65.03948	1.4
66.00613	0.7
67.01906	1.5
68.99808	1.3
69.03449	8.8
77.03959	3.1
79.01887	2.0
81.03462	2.6
83.01382	18.9
85.02951	0.8
93.03451	11.9
93.04007	1.0
95.01391	3.0
95.05021	1.1
96.96011	3.2
97.02951	8.1
98.19891	1.3
101.63764	0.6
102.28899	0.6
105.03417	1.0
107.01398	2.0
107.05009	2.1
108.02184	5.0
109.02945	39.5
110.03278	0.7
111.00870	2.7
111.19791	0.6
113.02440	2.4
117.03487	1.2
117.07098	1.5
119.05038	4.2
121.02946	44.7
122.03719	3.0
123.00883	2.0
123.04546	3.5
124.01643	14.5
125.02440	66.6
126.02771	2.0
129.03441	0.7
130.04234	1.9
131.05046	2.5
133.02950	4.2
133.88571	0.7
134.03758	2.0
135.00879	1.3
135.04518	19.9
136.01636	1.9
137.02435	100.0
138.03123	3.2
139.04034	1.6
143.05023	2.1
145.02957	2.1
145.06580	4.9
146.03769	3.3
147.04506	12.3
148.05283	6.2
149.02429	37.3
149.06049	9.0
150.03226	18.8
151.00323	1.6
151.04041	3.9
153.01930	1.1
154.02682	1.9
155.05051	2.0
156.05840	1.2
157.02914	1.5
157.06563	1.1
158.03743	5.1
159.04512	19.4
160.01610	0.7
160.04980	1.3
161.02431	19.8
161.06042	2.2
162.03137	2.5
163.00331	1.5
163.04002	4.1
164.01149	11.9
165.01915	42.5
166.02617	2.9
169.06487	1.3
171.04510	2.9
171.08154	0.7
172.05286	11.5
173.02402	1.7
173.06058	26.2
173.11819	1.7
174.03206	7.9
174.06409	1.2
175.03981	58.0
176.04523	3.9
177.01933	10.1
177.05545	18.1
179.03476	1.7
183.04446	5.7
184.05263	1.2
185.02332	0.7
185.06053	2.5
186.03223	1.5
187.03998	2.4
187.07625	5.1
188.04689	1.5
189.05553	13.9
190.06209	1.0
191.07127	8.0
192.07416	1.1
196.05183	1.4
197.06097	5.8
198.06822	1.0
199.03970	7.6
199.07608	1.9
200.04785	5.9
201.01874	2.8
201.05547	48.5
202.02589	1.2
202.05917	2.6
203.03477	16.9
204.04210	4.0
213.05560	2.9
214.06291	3.4
215.03542	1.9
215.07095	15.9
216.04248	0.7
217.05038	18.1
218.05319	1.2
219.06590	19.4
220.07013	1.0
224.04710	1.0
225.05537	8.2
227.03458	4.0
228.04146	1.5
231.06612	1.2
241.04988	7.8
242.05708	0.8
243.02971	5.1
243.06575	16.3
244.03673	1.9
244.06763	1.1
245.04477	7.0
246.04869	0.8
258.05304	11.5
259.06076	65.5
260.06421	3.3
269.04541	8.0
270.04892	0.9
285.03809	0.9
287.05585	74.5
287.09213	3.9
287.15005	3.3
287.22314	0.7
288.05966	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	287.056
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
55.42437	0.3
57.03437	0.8
59.01369	1.6
63.02395	2.0
65.00320	12.0
69.03426	0.4
71.01740	0.3
71.59376	0.3
83.01381	6.3
87.00904	0.6
90.78221	0.4
93.03467	0.9
96.96003	3.7
97.02941	0.6
103.00355	0.7
107.01386	16.3
107.05032	0.5
109.02946	3.9
112.98806	0.9
116.01079	0.4
121.02961	2.2
122.03756	0.3
123.04475	0.4
124.01656	0.8
125.02435	8.4
125.03321	0.6
131.53694	0.3
133.02974	0.6
134.03743	1.7
135.04517	100.0
136.04846	3.5
137.02437	4.9
147.04494	0.6
149.02419	1.2
149.06238	0.3
150.03174	0.7
151.00356	89.0
152.00679	3.3
155.10773	3.7
156.05663	0.4
159.04549	0.8
161.02438	2.1
165.01917	2.5
169.01404	1.5
172.05318	0.6
173.06062	1.3
175.04050	2.0
177.01976	1.2
177.05544	0.9
189.05588	0.7
190.06183	0.3
191.07213	0.6
197.06027	0.3
199.03984	0.4
199.13492	0.6
201.05563	2.5
203.03474	1.2
215.07193	0.5
217.05051	0.6
219.06721	0.7
225.05518	0.6
243.02937	0.5
243.12268	0.4
245.04646	0.4
258.05319	0.5
259.06186	2.9
269.04553	1.2
287.05594	19.9
287.08994	0.9
287.14160	0.8
287.18567	0.8
288.05890	1.9
288.08966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Robtein
Peak:m/z	Relative Intensity
52.94978	2.0
53.44736	2.3
57.03437	8.4
67.01869	2.7
69.29958	8.9
69.30375	13.2
77.03980	2.9
79.75676	2.9
81.65553	2.7
83.01379	14.9
93.03442	11.8
95.01371	4.8
97.02955	5.4
98.20665	5.4
103.97427	2.5
107.01394	4.0
107.05024	5.7
108.02155	5.6
109.02941	39.9
119.05000	3.2
121.02144	3.4
121.02952	36.5
122.03724	3.1
124.01651	13.4
125.02442	77.2
133.02966	4.8
135.04480	14.2
136.01646	3.2
137.02437	100.0
138.02888	2.3
145.06537	6.4
147.04530	11.9
148.05283	3.7
149.02432	48.1
149.06012	3.5
150.03200	9.8
151.03989	15.7
153.01787	2.4
155.05046	2.8
157.06622	3.6
158.03743	2.9
159.04469	18.3
161.02426	26.2
162.03075	3.9
163.04047	5.4
164.01141	8.6
165.01921	29.0
171.04327	2.5
172.05261	10.7
173.06058	22.3
174.03207	8.2
175.03998	56.6
176.04636	5.3
177.01933	11.3
177.05574	17.3
183.04469	6.9
183.61310	2.9
187.03987	3.9
189.05534	10.8
191.07132	5.9
197.06035	6.5
199.03989	7.6
199.07632	3.1
200.04774	10.2
201.01918	2.5
201.05576	45.4
202.05945	3.4
203.03496	16.0
214.74379	2.4
215.03636	2.4
215.07083	13.8
217.05013	16.8
219.06584	24.2
225.05545	7.0
227.03296	3.0
241.05074	8.3
243.02974	6.6
243.06564	16.9
245.04474	9.4
258.05264	6.6
259.06049	52.4
260.06284	6.4
269.04449	11.9
270.04935	3.2
270.23636	2.8
287.02338	5.0
287.05582	97.2
287.10446	7.2
288.05997	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	287.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70401	0.4
69.31589	4.5
79.95732	57.1
90.72389	0.4
90.73028	0.4
95.95227	25.9
96.96007	83.4
98.20709	0.6
115.83427	0.5
122.27286	0.5
123.82629	0.4
136.99133	1.1
166.64767	0.5
272.07208	16.4
273.00696	0.6
273.07401	1.1
277.36115	0.4
287.09564	100.0
288.09860	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	287.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84667	0.4
53.73346	0.4
56.02504	0.4
58.37010	0.4
59.01384	0.8
69.30732	3.9
73.30187	0.4
79.95748	3.1
95.95230	0.4
96.09921	0.4
96.96006	100.0
118.54465	0.4
120.05502	0.4
135.04515	1.0
147.85732	0.5
151.00424	1.1
258.62802	0.6
287.04971	0.6
287.06088	0.5
287.09512	6.2
288.10007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.00581	0.9
59.01378	18.3
65.00311	2.0
71.59437	1.2
72.99317	1.8
73.02937	1.6
79.95745	0.9
83.01369	2.7
84.99325	1.8
87.00872	20.4
92.04097	0.7
93.03459	1.2
96.96014	7.6
101.06078	1.2
103.00363	14.2
107.01385	2.8
109.02943	4.4
112.98811	28.3
121.02946	4.8
123.04533	0.9
124.01626	1.1
125.02435	10.0
130.99837	4.3
133.02968	0.9
135.04506	19.7
136.04852	0.9
137.02429	9.2
147.04559	1.0
148.82808	0.8
149.02402	4.2
150.03174	1.1
151.00359	17.1
155.10771	100.0
156.11043	4.0
159.04539	2.5
161.02423	3.6
161.19948	0.8
164.01059	1.2
165.01912	4.9
173.06024	3.3
175.03960	5.0
177.01909	0.9
177.05580	2.4
183.04427	0.9
189.05515	1.5
191.07132	1.3
196.14597	0.9
200.04697	0.9
201.05554	5.0
203.03499	1.8
207.17522	2.9
213.05496	0.9
215.07080	0.9
217.04955	1.3
219.06555	1.9
225.05511	1.1
230.99255	0.8
243.06619	1.4
251.12175	0.8
251.16524	1.9
258.05191	1.2
259.06067	6.2
268.37665	0.8
269.17737	1.1
287.05618	11.3
287.11734	5.2
287.18658	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01374	1.0
69.98782	0.6
69.99160	0.5
81.03462	1.3
86.11603	0.3
92.05061	1.1
93.03468	1.5
94.02916	0.3
98.19924	0.3
107.03735	0.4
108.02187	0.4
108.04549	4.7
109.02946	5.4
115.62446	0.3
124.01630	0.4
134.02477	37.0
135.03279	9.1
136.04041	36.7
137.02457	1.5
137.04393	1.4
148.04039	0.9
149.04811	1.0
176.03506	4.3
177.04243	0.5
190.05103	0.6
203.15517	0.2
260.16531	0.3
274.40927	0.3
288.16034	100.0
289.16367	7.5
303.47620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.6
71.58484	0.3
71.58870	0.5
78.95905	4.0
79.95725	2.1
85.02965	0.6
93.18272	0.4
96.96007	100.0
96.96912	9.4
103.27058	0.4
106.75878	0.4
111.89133	0.4
120.99622	0.5
122.97562	0.5
124.97134	0.6
128.03554	0.6
142.99854	2.8
153.68752	0.4
173.00853	2.7
179.36441	0.4
191.05591	10.8
276.84680	0.4
287.66873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.1
57.06326	0.7
59.01383	2.3
59.01677	0.7
69.03448	0.8
71.01366	0.8
79.95734	39.0
80.02671	0.9
80.96500	1.1
81.03465	4.4
83.01382	3.9
93.03439	2.5
95.01385	2.0
95.05028	6.1
96.96008	9.4
97.02945	9.0
105.03432	2.1
108.02170	1.4
109.02943	41.7
110.03321	0.8
110.37869	0.7
111.04440	0.7
121.02973	5.1
122.03754	2.1
123.03622	1.6
123.04517	28.8
125.02442	24.2
133.03012	1.6
135.04514	4.5
137.01453	1.1
137.02440	12.8
138.03159	1.3
139.03976	4.7
145.02939	2.0
146.03702	2.4
147.04469	1.3
149.02406	6.4
149.03467	0.8
150.03221	1.8
151.04005	21.4
159.04527	4.2
160.05295	2.4
161.02434	38.7
161.06070	6.6
162.03098	2.7
163.04001	2.0
164.01135	5.6
165.01932	4.5
166.02592	0.9
167.03464	2.0
173.06108	1.9
174.03185	0.7
175.04008	2.5
175.07584	2.7
176.04770	25.6
176.06305	1.3
177.05191	1.0
179.03488	67.6
179.06976	2.2
180.03729	3.5
185.06104	1.1
187.03990	6.3
188.04805	4.9
191.05550	1.1
191.07130	9.7
194.05818	64.9
195.06210	1.9
199.07733	1.0
201.05595	1.1
202.06346	2.5
203.07127	18.3
204.07394	0.9
205.05049	12.1
209.08176	99.5
210.08493	5.6
212.04822	1.0
221.08218	5.1
227.07101	3.0
231.02811	0.8
245.08157	27.3
246.08473	1.5
247.06088	1.7
259.02765	8.0
271.06003	1.4
289.03882	39.2
289.07175	100.0
290.04208	2.9
290.07501	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	289.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19083	0.6
57.03443	3.6
69.03446	1.3
71.35131	0.8
77.90754	0.6
80.96399	0.6
81.03458	4.0
83.01385	4.3
93.03445	2.5
95.05022	6.1
96.34634	0.6
97.02942	10.7
106.85908	0.6
108.02172	2.3
109.02945	36.4
110.03262	0.9
121.02934	6.0
122.03702	1.9
123.04517	26.0
125.01518	1.3
125.02442	25.2
133.02925	0.9
135.04512	2.9
137.02441	13.6
138.03221	1.0
139.04015	5.3
145.02942	2.1
146.03696	1.9
147.04517	1.0
149.02437	5.8
150.03239	1.8
151.03995	15.5
157.06575	1.2
158.03804	0.7
159.04486	3.6
160.05263	2.0
161.02391	1.7
161.06049	7.2
162.03186	2.1
163.03912	1.5
164.01163	4.8
165.01915	4.7
166.02542	1.1
167.03481	2.5
173.06042	1.3
174.03163	0.7
175.04010	2.3
175.07602	2.5
177.05544	0.7
179.03511	8.4
180.04048	0.7
184.05397	0.8
185.06029	1.3
187.03963	5.7
188.04735	5.0
199.07608	0.8
201.05484	0.7
202.06322	2.9
203.07115	17.2
205.05048	9.8
206.05418	0.8
212.04745	0.8
217.05081	0.7
217.08623	0.8
221.08186	5.8
227.07077	2.4
230.05855	1.2
231.02950	1.3
245.08153	27.0
246.08519	1.9
247.06110	1.0
271.06174	1.4
289.07162	100.0
290.07532	7.0
298.05084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.36845	0.4
51.45659	0.5
51.74852	0.5
57.03447	3.7
59.01382	0.6
69.03449	1.2
70.66372	1.2
70.66737	1.0
71.01366	0.6
79.95717	0.6
80.02702	0.6
80.69457	0.4
81.03453	4.6
83.01376	4.5
85.02917	0.6
93.03450	2.3
95.01397	1.5
95.05029	7.4
96.96014	1.0
97.02942	11.7
99.04499	0.8
107.05003	0.5
108.02158	2.1
109.02947	38.2
110.03281	0.8
117.03436	0.6
121.02965	5.0
122.03728	1.6
123.04519	29.2
124.04817	1.5
125.02441	24.2
126.02770	0.9
131.04938	0.6
133.02971	0.7
135.04509	3.0
137.02440	14.2
138.03163	1.4
139.04001	6.0
143.04987	0.8
145.02942	1.7
146.03674	1.6
147.04424	0.5
149.02440	7.0
149.06012	0.8
150.03198	1.5
151.03999	13.7
152.04355	0.7
157.06548	0.7
159.04504	3.3
160.05321	2.7
161.02454	1.7
161.06088	6.8
162.03241	2.7
163.03973	2.0
164.01157	5.1
165.01904	6.2
166.02650	0.5
167.03484	2.1
173.06036	1.1
174.03117	0.6
175.03934	3.6
175.07617	2.9
176.04655	0.6
177.05568	1.1
179.03500	9.4
185.06073	1.5
187.04001	7.2
188.04840	4.5
194.05833	1.1
199.07593	0.6
201.05544	0.8
202.06360	2.4
203.07127	18.2
204.07433	0.7
205.05020	12.2
206.05414	0.8
209.08223	1.5
212.04825	1.2
217.08618	0.8
221.08153	5.3
227.07082	2.8
230.05800	1.2
231.02971	0.7
237.45325	0.5
245.08168	29.6
246.08507	1.9
247.06071	1.4
271.06070	1.6
289.07156	100.0
290.07471	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	289.0715
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03446	5.4
57.32785	0.6
62.06364	0.6
69.03448	1.7
69.45107	1.1
69.45518	4.0
81.03461	4.5
83.01375	5.5
90.61155	0.6
93.03445	2.8
94.25648	0.6
95.01370	1.3
95.05016	6.3
97.02940	10.1
99.04485	0.9
108.02197	1.3
109.02946	40.0
110.03276	1.3
117.03450	0.6
121.02972	4.1
122.03728	2.5
123.04520	28.4
124.04762	0.6
125.02440	23.1
135.04504	2.7
137.02437	13.2
138.03201	1.4
139.04008	5.0
145.02917	2.5
146.03734	1.6
147.04524	1.0
149.02426	5.4
150.03185	2.0
151.03995	14.9
157.06578	1.0
159.04480	4.1
160.05260	1.5
161.02470	1.5
161.06061	7.2
162.03215	1.9
163.03978	1.8
164.01132	4.5
165.01906	6.2
167.03453	2.5
173.06113	1.7
175.04001	2.7
175.07613	2.9
179.03499	8.6
185.06079	0.8
186.06754	0.8
187.03975	6.4
188.04782	5.8
199.07494	0.9
201.05545	0.8
202.06374	3.1
203.07124	16.9
204.07539	0.8
205.05048	11.5
221.08220	6.6
227.07109	2.0
230.05800	1.2
245.08141	29.5
246.08470	1.3
247.06113	1.5
271.06137	1.3
289.07162	100.0
290.07474	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	289.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
60.54744	0.3
61.04895	0.3
62.17261	0.3
65.34168	0.3
67.00196	0.3
67.01891	4.1
71.61942	0.4
72.99303	3.3
83.01382	4.0
85.02947	14.6
96.96005	3.9
97.60227	0.3
98.95591	3.7
98.96400	0.9
99.00912	0.8
101.02470	1.6
111.00875	100.0
112.01221	2.5
115.07645	0.4
116.13406	0.3
123.04478	0.4
129.01938	4.3
154.99855	12.6
156.00156	0.6
159.08467	3.6
173.00893	30.7
174.01251	0.8
229.09145	0.3
247.10117	0.9
264.67813	0.3
289.06992	0.7
289.11105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74699	0.5
67.01888	4.4
69.37724	2.7
69.38148	1.1
72.99306	3.0
79.23148	0.4
83.01387	3.4
85.02946	15.8
96.96011	5.4
98.20602	0.8
98.95586	5.2
98.96416	0.8
99.00846	0.9
101.02442	1.6
111.00878	100.0
112.01211	2.0
129.01944	3.9
154.99869	13.0
159.08513	1.9
170.24147	0.5
173.00906	31.2
174.01329	1.0
226.52553	0.5
242.00316	0.5
245.08330	0.5
289.07175	1.2
289.11105	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	289.1114
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
54.34170	0.2
59.80638	0.3
61.39895	0.2
67.25178	0.2
69.91227	0.5
69.91621	0.7
79.95731	5.6
86.36346	0.3
89.30956	0.2
90.41153	0.2
96.69315	0.2
96.96008	100.0
97.95973	0.3
98.20653	0.3
101.53402	0.2
145.36992	0.3
151.00661	0.7
243.55739	0.3
289.11130	90.9
290.11484	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	289.1113
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
54.56727	0.2
69.46693	1.1
69.47124	0.8
79.95726	7.1
84.93805	0.2
86.70371	0.2
96.96003	100.0
103.12813	0.2
106.91969	0.2
147.20366	0.3
271.14221	0.3
289.11121	83.2
290.11456	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	289.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60062	1.5
69.60489	1.3
79.95721	2.6
95.95239	1.7
96.96002	100.0
98.20686	0.9
98.95567	0.4
121.58888	0.4
153.07228	0.4
163.61491	0.4
164.53311	0.4
195.08141	0.4
215.39244	0.4
289.11118	78.8
290.11478	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	291.127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83118	0.2
62.30990	0.2
69.51546	1.2
69.51950	0.3
70.34557	0.2
73.87505	0.2
79.95730	2.7
95.95223	1.0
96.96006	100.0
100.69083	0.2
154.14937	0.3
231.39514	0.3
270.18918	0.2
291.12686	81.9
292.13022	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	291.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
79.95724	1.8
79.96128	0.2
96.96004	100.0
97.95928	0.3
106.82757	0.1
133.96478	0.1
175.69716	0.2
276.02835	0.2
287.07733	0.2
291.12686	40.5
292.12994	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	291.1963
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.83698	0.4
59.01367	0.5
61.98814	0.6
73.02941	54.3
74.03291	1.3
77.93275	0.3
78.07001	0.3
81.12727	0.3
96.95973	0.3
98.19846	0.8
99.61597	0.3
104.80989	0.4
112.98595	0.5
121.02931	1.2
209.04530	0.8
275.73111	0.4
282.04694	0.3
291.19629	100.0
292.19962	8.7
304.18384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67727	0.5
56.08120	0.5
57.03438	1.5
59.01382	3.2
71.20001	1.1
95.05011	1.0
96.96048	0.5
109.06591	0.6
111.08154	13.8
111.77850	0.5
113.09694	0.6
121.02949	0.9
135.11693	0.6
137.09698	1.2
138.20364	0.5
139.11386	0.6
149.09656	0.9
154.01460	0.5
167.10785	2.4
173.09932	0.5
177.12813	2.2
179.10748	2.3
189.19698	0.5
195.13887	8.0
247.20569	2.4
273.18588	1.2
291.19632	100.0
292.19977	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30634	0.5
57.03444	1.2
59.01369	1.4
60.29885	0.5
63.41202	0.5
64.51910	0.5
68.60932	0.4
69.03434	0.4
71.01384	0.6
71.27303	1.0
72.60458	0.5
83.05063	0.6
93.07097	0.7
97.06595	1.9
110.63055	0.6
121.02940	1.1
121.10234	13.1
122.10507	0.5
123.08149	1.2
125.09706	7.6
141.12822	1.1
147.08211	0.5
163.11215	0.5
165.12782	0.5
185.11804	12.8
195.13896	0.6
197.11801	3.1
209.04552	1.1
209.11804	1.7
211.13397	2.0
219.17557	1.3
223.13310	0.9
243.52429	0.5
247.02469	0.5
247.13425	0.8
247.20663	0.9
273.18515	1.0
280.38519	0.6
289.18042	0.7
291.19638	100.0
292.19952	7.9
305.13855	0.5
308.98889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76041	0.5
53.69258	0.5
58.02974	0.5
59.01375	4.4
64.19392	0.5
69.85392	2.4
71.01375	1.3
71.77743	0.6
78.77513	0.5
87.55541	0.5
96.95990	0.7
131.88635	0.5
139.41313	0.5
152.91789	1.0
156.13927	100.0
157.14313	4.6
177.09093	0.7
180.45256	0.6
185.75368	0.5
194.92830	0.9
200.12869	4.4
205.12265	0.8
215.22873	0.5
216.81627	0.6
220.14693	5.2
221.15440	10.1
232.87526	1.1
233.10385	1.4
236.10529	7.9
250.88530	0.7
292.19540	1.5
293.17606	1.7
293.21048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.73879	0.6
58.02970	1.2
59.01377	4.2
71.01385	1.1
71.14149	1.1
89.02411	0.8
137.42305	0.6
147.65755	0.6
152.91727	1.5
156.13925	100.0
157.14270	3.9
161.70061	0.6
192.11542	0.7
194.92799	0.9
200.12901	3.9
207.13567	0.7
219.03818	0.7
220.14668	4.8
221.15457	9.0
236.10493	7.2
292.12344	0.6
292.15646	0.7
292.19513	1.2
293.04730	0.9
293.17679	1.8
293.21210	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44816	0.5
55.01861	0.6
57.03416	0.7
58.00580	1.6
59.01377	37.6
65.57934	0.5
66.45518	0.5
70.90802	1.3
71.01376	16.7
72.92893	0.6
72.99302	1.2
73.02930	1.3
83.01370	1.4
85.02956	3.3
85.06590	13.5
87.00879	1.1
89.02441	19.7
95.01392	0.8
101.02445	12.0
113.02446	6.9
113.06050	2.9
115.07627	2.3
119.03494	7.3
127.07642	1.7
131.07135	52.3
132.07478	1.5
149.04587	0.6
161.04523	0.6
173.08194	1.9
179.51125	0.6
181.42770	0.6
193.70897	0.6
202.83134	0.6
238.45592	0.5
263.38724	0.6
280.56122	0.6
293.12408	100.0
294.12772	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70465	0.6
55.01874	1.1
57.03441	1.0
58.00588	2.1
59.01376	47.6
65.75790	0.6
71.01379	23.7
71.36116	1.0
71.73888	0.6
72.00920	0.9
72.99285	1.6
73.02941	1.8
83.01388	2.3
83.08626	0.7
85.02944	5.2
85.06586	16.3
87.00866	1.8
88.64201	0.6
89.02441	23.7
89.15284	0.7
95.01384	2.0
100.00393	5.0
100.04091	0.7
100.85872	0.7
101.02442	14.4
113.02454	7.4
113.06104	5.3
115.07635	1.5
119.03497	9.3
127.07647	2.2
131.07133	64.9
132.07500	1.8
143.03464	1.0
144.03015	3.1
148.06284	5.5
173.08167	2.9
179.05643	0.9
224.22899	0.7
265.71021	0.6
293.12411	100.0
294.12769	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91840	0.2
69.91420	1.0
71.01380	8.5
72.09818	0.2
98.20521	0.4
110.73539	0.2
127.07658	1.0
148.05345	1.0
151.07623	0.4
164.08356	1.2
177.09201	4.6
178.09564	0.3
185.50089	0.2
190.09886	0.2
192.11555	6.8
193.12094	0.6
193.33284	0.3
205.12323	6.6
206.12621	0.4
207.13831	1.1
217.08757	0.5
218.09451	2.0
220.14673	47.3
221.15439	100.0
222.15790	6.9
235.13376	1.1
236.10516	65.6
237.10884	5.1
246.49214	0.2
247.76682	0.2
266.40549	0.2
293.17569	10.6
294.17899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01368	3.4
59.77833	1.2
62.00936	1.1
63.02081	1.1
71.01357	1.4
71.14655	1.4
71.14981	1.5
78.31447	1.3
121.10221	37.1
122.10570	1.9
125.09688	1.4
127.11173	1.7
171.10260	69.0
172.10596	3.2
183.10245	1.3
183.13884	2.3
185.11826	3.4
189.59317	1.2
192.11560	1.1
211.89040	1.4
220.14687	2.2
221.15405	7.2
231.21201	4.8
236.10478	6.0
248.89142	1.3
275.20129	100.0
276.20462	8.6
293.17908	2.4
293.21194	73.8
294.21533	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03429	0.6
59.01366	1.2
70.59631	2.2
86.31669	0.6
111.08154	0.7
115.04707	0.8
179.14493	0.7
182.64687	0.7
195.13876	12.2
196.14500	1.8
205.12291	1.3
220.14700	0.8
223.13379	11.2
224.13934	1.0
228.13586	1.7
235.32899	0.7
236.10405	1.5
256.13138	3.5
265.21799	0.7
275.20154	8.0
293.21216	100.0
294.21524	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.9
59.01382	7.2
61.98818	1.6
69.98071	0.9
71.01368	3.7
71.05005	5.4
71.59624	0.9
73.92559	0.8
83.04984	1.0
93.59670	0.8
96.96008	4.8
113.09711	3.9
152.91754	1.4
177.09235	1.1
192.11545	2.0
193.15970	2.1
195.14021	1.0
205.12315	1.0
209.15421	1.3
211.01128	1.1
220.14670	10.1
221.15427	20.3
222.15729	1.2
223.16986	4.2
231.21130	2.4
233.15356	0.9
235.17004	36.0
236.10527	14.5
236.17369	1.9
237.10846	1.5
249.18636	0.8
275.20123	34.1
276.20337	5.1
293.08868	33.5
293.21182	100.0
294.08774	2.6
294.21497	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.0
57.55558	0.6
59.01366	4.3
59.12671	0.5
61.98813	0.8
71.01369	2.0
78.95870	0.6
89.02431	0.9
95.83530	0.5
96.95992	1.5
97.06628	0.8
98.19905	1.2
108.53036	0.7
113.09720	14.0
121.10175	2.6
125.09709	1.4
136.08870	0.7
139.11278	1.3
141.97209	0.7
161.40987	0.6
167.10719	2.0
171.10265	4.9
179.10764	1.4
185.11787	2.7
192.11446	1.1
193.15939	0.7
195.13852	2.3
197.11723	0.8
205.12393	0.9
220.14665	7.6
221.15434	13.9
222.15796	0.7
231.21181	0.8
235.16977	2.0
236.10513	10.2
249.22211	1.4
275.20099	9.6
276.20633	1.0
293.04803	1.0
293.21191	100.0
294.18222	1.0
294.21555	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	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08228	0.8
57.03423	1.1
58.00585	2.0
59.01373	78.9
60.01705	0.9
60.46365	0.8
70.12503	3.2
71.01376	37.5
72.99299	2.9
83.01387	1.9
85.02940	8.4
87.00871	2.5
89.02434	43.3
95.01398	2.3
96.50777	0.8
101.02433	23.6
113.02433	17.3
115.04029	0.9
118.58753	0.8
119.02653	1.1
119.03498	20.9
120.03843	0.8
121.95352	0.8
131.03468	2.5
133.05070	1.8
143.03494	1.3
149.04604	1.6
161.04532	3.4
179.05620	2.8
235.08160	1.1
241.48901	0.9
295.10324	100.0
296.10675	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92956	0.6
55.01855	0.8
56.12655	0.7
57.03434	0.8
58.00585	2.8
59.01375	74.8
60.01718	0.7
65.11552	0.6
71.01376	34.6
71.15695	0.9
72.99282	2.9
73.02950	1.1
75.00874	0.9
83.01363	1.9
85.02963	6.9
87.00851	1.0
89.02438	46.9
90.02773	0.9
95.01385	2.5
97.94187	0.7
101.02438	23.1
101.03101	1.2
103.00346	1.2
113.02442	14.1
113.03242	0.7
114.02792	0.9
115.03986	1.2
119.03493	20.7
120.99641	0.6
131.03476	1.2
133.05067	1.3
133.43408	0.6
143.03461	1.6
149.04596	1.1
159.75876	0.5
161.04529	1.7
179.05571	1.7
295.10309	100.0
296.10651	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03441	0.9
58.00595	2.4
59.01375	80.7
60.01721	0.6
70.11222	1.6
71.01376	38.0
71.05000	0.5
72.01717	0.5
72.99299	2.1
73.02940	1.0
75.00838	0.5
83.01378	2.1
83.98253	0.4
85.02945	7.2
87.00871	1.8
89.02438	45.1
90.02779	0.5
95.01390	3.0
99.00880	0.4
101.02437	24.1
103.00405	0.7
107.68957	0.5
113.02442	14.9
115.00362	0.9
115.04039	0.9
119.03500	18.4
120.03828	0.5
120.99689	0.4
131.03505	1.2
133.05035	1.5
143.03473	1.9
149.04543	1.2
154.68932	0.4
161.04562	1.3
179.05591	2.5
238.60974	0.4
266.48499	0.4
295.10312	100.0
296.10614	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	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.2
62.68613	0.4
69.63603	2.6
71.01384	1.7
73.02957	0.7
75.40468	0.4
78.58229	0.4
85.02940	0.5
96.96016	0.6
101.02464	1.6
103.29282	0.4
113.02448	0.5
119.05017	0.5
143.10799	0.5
161.04601	0.9
161.06090	0.8
172.26656	0.4
205.05060	0.8
214.00615	0.4
235.11804	2.9
237.03101	0.4
240.95039	0.4
314.42996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.8
61.84436	0.5
64.13359	0.4
69.60902	0.8
69.61306	2.2
71.01375	2.1
73.02961	0.9
74.99091	0.5
83.27641	0.4
85.02972	1.2
87.00842	0.7
89.02434	1.0
95.95222	0.7
96.96017	1.4
101.02427	2.1
109.60188	0.4
110.05951	0.4
113.02502	1.0
115.40636	0.4
119.05040	0.4
143.10806	0.8
152.98744	0.5
157.80992	0.4
161.04599	1.0
161.06102	1.2
174.02663	1.1
174.52739	0.6
177.01862	0.5
205.05066	0.9
235.11873	3.1
236.03320	0.5
250.01884	0.4
282.00955	0.5
295.05048	0.5
295.08054	0.6
295.12610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
58.00569	0.4
58.99599	0.8
59.01376	100.0
60.01703	1.1
65.76897	0.3
71.01379	3.7
72.99298	0.9
73.02949	0.8
74.99111	0.6
79.95729	0.4
83.01391	0.6
83.05035	0.4
85.02954	1.6
87.00873	0.9
89.02436	2.0
96.96008	6.7
99.00880	0.7
101.02420	3.4
110.02505	0.8
113.02438	1.7
113.90607	0.3
115.00422	0.4
119.03503	1.1
119.05048	1.1
125.02425	0.4
133.01422	0.5
133.02977	0.6
133.06599	1.2
136.99173	0.4
143.10777	0.9
145.06604	0.5
147.04692	0.4
161.04628	1.0
161.06047	6.3
163.04070	0.6
163.07669	0.5
173.06125	0.3
180.16945	0.4
189.09473	0.5
191.07179	0.8
205.05035	3.3
207.10426	0.6
235.11818	3.8
251.05968	0.4
251.09206	0.4
295.04901	0.7
295.08453	1.8
295.12692	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.78965	0.6
57.03424	1.2
57.27681	0.6
59.01380	7.9
68.99565	1.6
69.03445	0.6
69.39732	4.5
71.01376	0.9
81.15233	0.6
85.02941	0.6
98.20601	0.8
107.62894	0.6
112.98563	1.6
141.12914	0.6
151.11371	0.7
171.10258	28.6
172.10600	1.2
195.13927	3.5
225.74088	0.7
249.59157	0.7
251.23616	0.8
277.21698	38.9
278.21884	3.3
295.22754	100.0
296.23065	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03445	0.6
59.01377	5.2
59.38609	0.4
61.75439	0.3
68.99569	0.8
69.39476	0.8
69.39887	2.7
71.01383	0.4
83.05051	0.6
98.19941	0.9
112.98553	0.7
113.09704	2.6
179.14455	1.4
195.13887	17.3
196.14255	1.0
251.23836	0.6
277.21683	16.7
278.21997	1.6
295.22751	100.0
296.23083	9.3
296.26257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0977
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
55.01872	0.7
57.03442	1.2
58.00604	1.5
59.01376	32.4
61.98844	0.6
69.28553	5.6
71.01375	17.7
72.99313	6.8
73.02944	0.7
76.99033	0.6
79.95718	1.5
85.02941	4.5
87.00883	0.7
89.02438	18.8
96.96024	3.4
99.00886	0.8
99.04552	0.6
101.02425	3.4
103.05533	1.7
104.77225	0.7
113.02436	2.1
119.03506	1.1
119.05023	5.4
121.02929	0.8
131.03497	5.5
135.04523	4.3
135.06621	1.4
143.03456	0.6
144.04553	2.8
146.06091	1.0
147.04510	100.0
148.04839	4.5
149.04549	1.7
153.09256	0.6
161.00923	1.7
161.04567	0.8
165.05556	32.7
166.05925	1.4
174.05548	2.1
175.02415	1.2
179.01952	1.3
191.10756	0.8
208.99165	1.3
209.11839	0.8
218.04608	2.4
235.09734	0.6
237.07634	1.6
237.09744	1.2
253.10736	1.4
255.12405	2.8
269.97980	1.0
297.09750	52.0
297.12607	1.9
297.24365	1.6
297.97400	1.2
298.00348	1.0
298.10175	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	297.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69104	6.6
51.77744	6.8
57.81371	6.7
59.01373	89.4
66.79671	8.0
69.42495	59.3
71.01375	23.8
73.02953	8.6
82.63161	7.0
87.24462	8.2
89.02444	18.4
96.95993	100.0
101.02425	12.2
117.45199	6.6
126.33167	7.6
130.61891	6.9
179.05606	9.3
217.14407	12.2
237.09804	12.0
297.10013	75.9
297.24347	21.3
297.97540	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	297.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03441	1.6
57.92318	1.0
58.00599	1.8
59.01377	100.0
60.01695	1.1
61.92106	1.0
69.74611	5.0
71.01382	40.4
72.01733	1.1
72.99298	3.5
73.02946	7.9
75.00890	1.5
81.03468	0.9
83.01381	4.0
85.02952	13.8
85.16558	1.0
87.00874	2.9
89.02443	43.7
95.01384	3.5
96.95998	1.7
99.00877	2.0
99.26820	1.0
100.90602	0.9
101.02442	29.6
105.01936	13.5
113.01694	1.9
113.02444	18.4
113.03159	1.8
117.01923	3.1
119.03496	18.2
131.03542	1.4
135.06635	20.9
139.68217	0.9
141.45239	0.9
143.03491	4.2
149.04549	1.5
161.04543	15.7
179.05629	7.8
232.22766	1.1
237.09772	7.9
249.91565	1.0
297.08377	4.3
297.11859	46.2
298.05984	1.8
298.12177	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	297.1188
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01877	0.9
57.03441	1.6
57.92318	1.0
58.00599	1.8
59.01377	100.0
60.01695	1.1
61.92106	1.0
69.74611	5.0
71.01382	40.4
72.01733	1.1
72.99298	3.5
73.02946	7.9
75.00890	1.5
81.03468	0.9
83.01381	4.0
85.02952	13.8
85.16558	1.0
87.00874	2.9
89.02443	43.7
95.01384	3.5
96.95998	1.7
99.00877	2.0
99.26820	1.0
100.90602	0.9
101.02442	29.6
105.01936	13.5
113.01694	1.9
113.02444	18.4
113.03159	1.8
117.01923	3.1
119.03496	18.2
131.03542	1.4
135.06635	20.9
139.68217	0.9
141.45239	0.9
143.03491	4.2
149.04549	1.5
161.04543	15.7
179.05629	7.8
232.22766	1.1
237.09772	7.9
249.91565	1.0
297.08377	4.3
297.11859	46.2
298.05984	1.8
298.12177	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03429	0.5
57.72430	0.6
59.01374	9.3
61.98834	0.7
69.36286	2.7
69.36711	1.4
71.01376	2.3
74.01473	0.5
79.95718	1.0
82.44662	0.5
85.02926	1.1
89.02432	1.2
101.02431	1.6
102.19830	0.6
112.98576	0.5
115.55376	0.5
135.06546	0.5
161.04515	0.9
170.00365	0.6
183.01193	24.4
184.01968	4.2
197.02878	0.8
216.00938	2.6
237.09750	2.3
251.23712	1.3
279.23215	0.8
295.22736	0.8
297.12274	1.9
297.15259	52.9
297.24307	100.0
298.15610	5.4
298.24637	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.71906	0.9
57.03450	1.4
59.01375	15.5
71.01375	2.5
71.13373	1.0
71.13701	1.8
73.57285	0.9
83.31030	0.9
85.02936	1.0
89.02427	1.5
90.84422	0.9
96.88306	0.8
101.02409	1.9
111.97932	0.9
121.89688	0.9
129.33055	0.9
144.64499	0.9
160.81923	0.9
180.42496	1.0
183.01186	9.3
188.56465	1.0
237.09821	2.7
253.25420	1.2
297.04102	1.1
297.15341	17.3
297.18680	3.6
297.24326	100.0
298.15701	2.1
298.24686	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	298.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98050	0.6
57.27764	0.5
59.01374	11.0
60.01707	1.1
63.26960	0.5
71.01379	12.1
71.05014	6.0
71.29581	0.8
71.66595	0.5
72.00896	0.7
72.99306	0.7
73.02955	0.6
74.99099	0.9
78.95908	0.9
79.95749	1.0
83.01337	0.6
85.02951	1.6
87.00868	1.1
88.04037	68.4
89.02448	3.4
89.04392	0.7
89.32994	0.5
93.03456	13.0
95.01396	0.7
96.96006	48.8
99.04506	1.6
101.02435	1.6
112.03983	0.5
113.02428	1.7
116.03500	0.6
116.07142	1.5
119.03492	1.4
120.99644	2.0
123.00864	1.6
125.02414	0.9
127.94482	0.6
136.04048	1.0
137.02437	21.2
138.05585	0.8
139.05133	1.0
146.08221	28.5
147.08481	1.2
151.04019	0.9
153.05612	0.7
154.05081	0.7
164.07164	0.6
164.13966	0.6
179.03464	1.5
181.01672	1.9
197.62526	0.6
211.06090	0.8
217.00249	1.3
218.10315	26.7
219.10669	1.7
226.04021	0.6
226.50467	0.6
238.10138	0.6
239.05464	1.0
284.03220	1.9
297.24411	0.8
297.28226	0.6
298.06012	100.0
299.06451	4.4
299.10992	0.9
300.84741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
65.00299	0.4
71.01376	0.1
71.11873	0.1
71.59826	0.1
73.00839	0.1
75.02375	0.4
75.02763	0.0
79.01874	0.1
87.02382	0.3
89.00337	0.1
89.02454	0.1
91.01889	0.2
95.01395	0.1
99.02415	0.1
101.02418	0.1
103.01875	1.0
103.02531	0.1
105.03493	0.0
107.01394	0.1
113.02485	0.1
115.01879	0.9
117.03461	0.2
119.01376	1.3
120.01646	0.1
121.02975	0.2
123.04510	0.1
127.01824	0.1
131.01382	4.4
132.01727	0.1
133.02972	0.2
135.00899	0.1
143.01378	1.9
144.01703	0.1
147.00874	1.1
148.01221	0.1
149.02438	0.2
155.01346	0.1
159.00864	6.0
160.01254	0.3
161.02422	0.1
171.00864	5.0
172.01285	0.3
175.00366	0.4
177.01875	0.2
183.00800	0.1
187.00351	16.3
188.00720	0.7
189.02028	0.1
199.00348	3.1
200.00726	0.2
202.99860	0.8
214.99843	20.3
216.00185	1.1
226.99828	0.4
230.70061	0.1
230.99323	0.1
233.00494	0.0
240.04135	0.1
242.99315	38.5
243.99649	2.1
256.70343	0.1
270.98810	100.0
271.99142	6.6
283.99567	0.1
284.03214	0.3
298.98291	85.1
299.98666	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	299.0771
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01872	1.1
57.03419	1.4
58.00585	2.2
59.01377	73.4
69.26643	8.3
71.01377	32.0
72.99297	2.4
74.35344	0.8
83.01387	1.7
85.02946	6.7
87.00878	1.8
88.40971	0.9
89.02441	37.3
93.03451	23.5
95.01388	3.1
99.00884	1.0
101.02429	17.7
113.02458	15.8
119.03500	14.2
121.02963	1.3
125.02460	1.1
131.03554	1.2
135.04510	1.4
136.01663	6.4
137.02440	100.0
138.02776	3.0
138.05614	2.3
149.02400	1.8
151.03978	6.6
179.03493	38.7
180.03828	1.4
209.04515	5.8
217.00197	1.4
220.06090	1.3
223.84140	0.8
239.05597	16.6
284.03256	1.4
299.07709	85.8
300.08093	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	299.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89888	7.1
59.01374	24.5
65.66292	6.6
70.54547	15.9
70.54887	14.2
71.01365	15.0
81.41562	7.0
89.02437	7.9
93.03461	81.4
137.02425	100.0
138.76114	7.8
169.07774	8.4
179.03506	10.2
216.16545	6.8
220.06143	13.8
233.17360	7.5
237.04250	9.5
277.92288	8.7
299.07779	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Salidroside
Peak:m/z	Relative Intensity
58.00583	4.1
59.01375	100.0
68.01395	2.6
69.61908	3.5
69.62322	2.2
71.01377	60.1
72.99311	6.1
73.02943	2.5
74.84772	0.9
74.99107	2.0
75.00874	1.2
79.95715	3.2
80.96497	1.3
83.01382	2.7
85.02944	9.2
87.00863	3.5
89.02439	79.2
90.02763	1.3
93.03491	1.0
95.01369	3.6
96.95978	4.4
97.18201	0.8
98.95578	1.9
101.02438	31.0
103.06037	1.1
107.04984	1.3
109.15683	0.8
113.02447	22.6
114.02746	1.2
119.02638	2.0
119.03497	32.7
119.04980	14.3
120.03867	1.2
123.03257	5.9
130.06587	1.7
131.03525	3.2
132.04546	2.5
136.07581	1.1
137.02428	1.0
137.04892	1.0
137.06052	4.9
137.66301	0.9
138.05606	96.9
140.07132	1.1
143.03476	4.0
149.04547	2.1
152.07173	1.9
158.06076	3.6
161.04561	2.9
167.05869	1.7
174.05539	1.6
176.07190	1.2
179.05638	5.2
180.06639	6.3
202.05077	1.2
220.04193	1.3
220.06146	17.3
257.14020	1.5
284.03220	3.1
299.05630	1.8
299.11404	15.7
299.14703	2.0
300.01743	3.3
300.10831	18.3
315.19620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90558	0.5
53.95491	0.6
55.43563	0.4
57.03435	0.7
59.01378	10.5
61.38259	0.5
66.77100	0.4
70.85522	1.2
71.01392	0.7
71.84046	0.5
73.02568	0.5
82.32180	0.5
83.36436	0.4
89.02457	1.3
107.40205	0.5
119.04948	0.5
124.11091	0.4
174.99220	2.4
184.01297	0.5
185.00821	1.3
217.00285	10.6
220.61246	0.5
235.20650	0.9
237.22214	61.6
238.22534	5.0
246.97566	0.5
255.23248	1.7
281.21198	26.2
282.21521	2.1
284.03278	5.1
299.05692	2.7
299.22244	100.0
300.22580	9.3
313.43765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.3
68.99796	0.1
69.30650	0.6
75.18108	0.1
91.01878	0.1
95.01363	0.1
97.80422	0.1
104.02673	0.3
106.00598	0.1
108.02187	0.4
116.02665	0.1
118.45176	0.1
119.01385	0.2
120.02146	0.2
132.02170	2.4
133.02513	0.1
134.00114	0.1
135.00867	0.2
136.01648	0.2
143.01295	0.1
144.02167	1.3
145.02554	0.1
147.00841	0.4
148.01668	0.6
149.23692	0.1
149.99561	0.2
151.00307	0.2
156.02155	0.2
159.00777	0.1
160.01648	4.6
161.01956	0.1
161.99580	0.1
162.03165	0.2
163.00377	0.2
164.01151	0.1
171.01057	0.2
172.01651	3.2
173.02031	0.2
175.00409	0.1
176.01144	0.6
178.99887	0.1
184.01668	0.1
187.00301	0.5
188.01141	2.9
189.01463	0.2
190.99922	0.2
199.00400	0.5
200.01134	3.5
201.01421	0.2
204.00528	0.1
214.99844	0.8
216.00616	6.3
217.00948	0.4
220.00111	0.1
226.99857	1.1
228.00632	0.7
230.99345	0.3
232.00011	0.2
242.99323	3.9
243.03078	0.2
244.00095	3.5
245.00433	0.2
254.99319	0.5
255.99788	0.1
270.98849	3.0
271.02310	0.3
271.99521	0.9
282.98761	0.7
298.98361	1.4
299.99081	100.0
300.99469	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56261	0.5
52.00606	0.5
56.73518	0.5
57.12746	0.5
59.01365	1.1
70.22388	2.0
71.01382	1.2
72.99306	18.0
79.95744	3.0
80.96510	4.1
83.01386	0.5
84.04547	0.5
85.02937	0.5
87.00877	2.4
88.49427	0.6
92.05059	1.0
96.96005	14.3
96.96951	0.9
98.19952	0.6
120.99635	0.9
123.00892	1.5
125.02409	1.6
128.05078	0.7
130.06622	2.2
131.03754	7.6
132.04521	4.8
133.05966	0.5
138.02826	0.7
138.05556	0.6
139.03957	0.5
144.04572	3.6
146.06091	6.1
151.00328	3.8
158.06097	31.1
159.06429	1.9
160.04092	0.9
163.63704	0.6
168.00662	1.6
169.01402	2.1
172.04021	1.0
174.05585	33.4
175.05948	1.3
175.66298	0.5
176.07106	0.8
183.75734	0.6
184.03958	4.3
202.05099	8.0
220.06126	100.0
221.06453	6.4
226.01842	1.0
238.01732	0.7
240.08794	1.3
258.09802	0.8
282.40695	0.6
283.04675	0.7
300.01797	41.2
300.99323	3.0
301.02545	1.6
301.05609	3.5
301.09116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
57.19930	0.5
59.01368	2.1
62.50302	0.4
63.00785	0.5
65.00320	1.0
66.94457	0.5
67.56492	0.5
70.33035	1.9
71.01375	2.0
72.99306	19.5
79.57004	0.5
79.95726	3.7
80.96508	4.5
81.03514	0.5
83.01372	2.7
87.00882	3.0
89.02425	0.7
92.05050	1.4
93.03439	0.5
95.01372	1.0
96.96004	15.4
104.29047	0.5
107.01396	1.6
109.02949	0.6
113.02516	0.6
114.02714	0.5
116.05083	0.6
123.00857	5.1
124.01637	0.8
125.02444	10.6
130.06628	2.9
131.03755	8.5
132.04559	6.2
137.02434	1.0
138.03201	2.2
138.05620	4.7
139.03973	1.7
144.04549	3.1
146.06129	5.1
149.02441	0.8
151.00369	14.0
158.06111	32.4
159.06438	1.4
160.04045	1.3
168.00610	2.6
169.01419	6.3
172.04031	1.6
173.12144	0.5
174.05589	37.6
175.05905	2.0
176.07169	0.9
181.05098	0.9
184.04008	4.9
202.05077	9.3
220.06131	100.0
221.06488	6.3
226.01778	0.7
229.01350	0.6
238.01772	1.1
282.00565	1.0
283.04672	0.6
285.03574	0.6
299.98972	1.8
300.01813	39.9
300.99789	7.7
301.02722	0.9
301.05566	19.8
301.08829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11327	0.2
57.96846	0.2
59.01374	1.2
68.01411	0.6
70.44198	0.5
71.01362	0.5
72.99297	0.3
73.02968	0.2
75.00867	0.6
89.02432	0.4
93.03462	0.8
94.03792	0.7
95.05023	0.3
96.04552	0.2
96.96014	0.7
101.02370	0.2
108.08173	0.2
117.03474	0.2
122.02489	0.3
122.06170	0.2
123.00867	0.3
123.03266	10.0
124.03573	0.2
136.04013	0.3
137.02437	1.2
137.04805	0.7
138.05606	100.0
139.05954	3.1
145.02956	1.8
152.07195	0.7
158.06117	0.4
165.04291	0.4
167.05830	0.5
180.06667	1.5
220.06100	2.0
221.04607	0.5
254.52103	0.2
299.98911	0.3
300.01895	0.6
300.07721	0.4
300.10898	7.1
301.00000	1.9
301.11130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
68.01430	0.7
70.12351	0.2
71.01369	0.5
71.29017	0.4
72.99308	0.3
73.37799	0.2
75.00887	0.3
75.77357	0.2
86.26900	0.2
89.02451	0.5
93.03529	0.2
95.05025	0.3
96.95994	0.4
100.28492	0.2
101.02429	0.2
107.41512	0.2
108.08187	0.3
122.02470	0.4
123.00895	1.1
123.03256	9.4
124.03590	0.3
124.07677	0.2
132.04587	0.3
136.07639	0.2
137.04829	0.8
138.05598	100.0
139.05939	3.0
145.02953	0.9
152.07193	0.6
165.04321	0.3
167.05876	0.5
178.05191	0.2
180.06644	2.1
220.06058	1.1
227.60307	0.3
229.80884	0.2
300.10840	7.7
300.99820	0.9
301.11224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00327	0.5
55.49133	0.1
56.04450	0.2
58.00591	0.2
59.01373	2.7
60.01686	0.1
68.01411	2.6
69.41792	1.3
71.01363	0.8
72.99295	0.5
75.00885	0.8
75.01236	0.2
76.20138	0.1
79.95734	0.7
80.96529	0.4
83.75629	0.1
85.02945	0.2
87.00870	0.2
89.02454	0.6
94.06600	0.3
95.05000	0.4
96.04568	0.4
96.96005	0.5
98.02474	0.2
101.02444	0.3
106.06610	0.2
109.01685	0.2
110.06112	0.3
113.02480	0.2
113.24047	0.2
117.03458	0.3
120.99636	0.2
122.02494	0.9
123.00909	0.2
123.03259	5.6
124.04020	0.5
124.07672	0.9
125.06042	0.2
130.06604	0.6
132.04553	0.9
136.04073	0.2
136.07666	0.9
137.04791	1.0
138.05602	100.0
139.05951	3.5
140.07104	0.2
144.04572	0.2
145.02946	2.4
146.06131	0.2
150.05585	0.3
152.03508	0.3
152.07135	1.5
158.06081	1.3
166.08714	0.6
167.05882	2.2
168.01021	0.1
168.06586	0.6
170.06468	0.2
174.05528	0.3
176.07169	0.5
180.06656	4.7
181.06961	0.2
182.99776	0.3
192.06688	0.2
202.05128	0.2
210.07683	0.6
220.06152	4.1
221.04507	0.5
221.06496	0.3
226.01741	0.3
240.08771	0.3
240.12299	0.2
258.13373	0.2
261.88239	0.1
299.99020	0.4
300.02097	0.7
300.10852	16.6
300.99979	1.0
301.02985	0.1
301.11063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9989
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
59.01380	1.0
63.73352	0.2
68.94996	0.2
73.02944	0.2
75.00851	0.3
77.57187	0.2
80.58315	0.2
96.95991	0.5
117.03448	0.7
119.05037	0.4
123.00874	0.7
123.96460	0.2
125.02414	0.5
129.03445	0.9
138.03192	0.2
141.03415	0.3
145.02948	3.2
147.04520	0.4
157.02933	1.4
159.00887	0.2
161.02332	0.3
163.03961	0.7
169.01410	0.6
171.00931	0.3
173.02426	2.8
175.04021	0.2
185.02432	3.9
186.02702	0.3
189.01901	1.1
197.11806	0.5
199.00415	0.4
200.01071	0.6
201.01926	3.6
213.02014	0.2
216.00575	0.6
217.01341	1.1
221.04501	0.2
226.99786	0.9
228.00520	0.6
229.01389	5.0
230.01610	0.4
240.00705	0.3
244.00037	0.5
245.00891	2.3
254.99388	0.4
256.00049	0.3
257.00909	2.7
271.99432	0.2
273.00150	0.4
283.99582	5.2
284.99951	0.3
299.99057	4.7
300.99844	100.0
302.00183	6.6
302.05414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97464	0.3
59.01371	0.5
62.65788	0.3
71.36090	0.5
75.00869	20.4
78.91897	0.6
86.99468	0.3
88.28218	0.3
96.12981	0.3
96.96001	0.6
117.03459	7.8
118.03828	0.4
119.05002	1.8
120.99654	0.8
123.00877	1.4
135.08170	0.4
138.03255	0.9
145.02945	100.0
146.03284	4.8
154.96541	0.4
163.03976	1.2
179.07178	0.4
198.03555	1.0
203.98909	0.3
213.05867	0.8
221.04530	24.0
222.04861	1.4
242.99603	1.4
259.40546	0.3
301.00198	18.0
302.00430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	3,5,7,2',5'-Pentahydroxyflavone
Peak:m/z	Relative Intensity
59.01361	3.0
63.02393	12.0
65.00320	20.7
69.29884	0.7
69.30292	3.9
78.95912	0.7
80.02670	1.3
83.01383	12.3
93.03448	4.4
95.01376	0.8
96.96008	4.9
97.02969	1.0
97.58932	0.4
98.20590	1.1
103.26893	0.5
107.01384	34.7
108.02200	6.1
109.02942	2.6
111.00827	0.6
111.75571	0.7
121.02949	20.9
123.00867	2.5
123.04504	2.3
124.01698	0.9
125.02437	2.0
125.09713	0.8
133.03012	0.5
134.03731	17.3
135.00992	0.6
135.04437	0.6
136.01654	4.5
136.07671	0.9
137.34050	0.5
138.03220	0.9
139.03973	1.8
145.02898	0.6
147.04433	0.6
148.01666	0.6
149.02461	3.4
149.06075	10.8
151.00360	92.6
152.00661	2.6
159.04446	0.7
160.01828	0.6
161.02434	1.8
163.00311	1.3
164.01157	6.1
165.01961	1.6
169.01451	3.5
174.03098	0.7
175.03984	1.1
177.01920	2.8
178.99844	23.2
180.00247	0.7
185.06067	0.9
187.04022	1.3
193.01395	1.6
196.00104	3.8
199.03967	1.2
201.01875	1.4
201.05518	0.8
201.70253	0.5
211.03996	1.3
215.03432	1.1
227.03506	1.3
229.05058	2.1
235.43898	0.5
245.04529	2.2
250.95007	0.6
255.02989	1.0
256.03564	0.9
257.04672	0.8
257.08401	0.6
257.12888	2.5
272.02960	1.0
273.03958	3.6
286.04742	1.6
286.08170	0.7
299.01944	0.6
300.99902	9.2
301.03525	100.0
301.07159	50.4
301.20392	1.7
302.00299	1.0
302.03848	8.7
302.07529	4.6
310.18204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0565
Annotation	fludiazepam
Peak:m/z	Relative Intensity
51.75015	0.5
57.03448	4.7
59.01367	1.1
65.00323	3.9
69.25407	4.4
71.01385	0.8
72.99300	0.9
78.73543	0.4
80.62791	0.4
81.03458	2.0
82.44744	0.4
83.01384	13.1
86.78344	0.4
97.02955	0.5
106.47061	0.5
107.01382	8.7
121.03005	0.7
123.00881	5.2
124.01665	2.1
125.02442	51.2
126.02769	1.5
131.01387	0.5
137.02425	0.9
138.03188	3.5
139.04012	2.8
145.02925	0.6
149.02422	1.4
149.99579	0.8
150.50029	0.5
151.00363	53.7
152.00682	2.7
159.06512	0.6
167.03535	1.0
168.00632	4.0
169.01414	23.0
170.01740	1.0
175.00365	3.9
193.01379	2.6
197.04536	0.5
205.01401	0.7
211.02501	0.9
220.06183	0.5
221.06389	1.4
260.66971	0.4
283.04642	0.9
300.99899	5.5
301.05621	100.0
302.05960	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	301.0932
Annotation	Isotachioside
Peak:m/z	Relative Intensity
51.12755	0.2
57.04734	0.2
59.01379	1.2
69.75005	1.6
71.01379	5.1
73.02944	1.6
74.99100	0.5
83.01408	1.3
85.02952	2.6
89.02428	0.5
91.11108	0.3
93.03448	0.4
94.12423	0.3
95.01389	5.4
97.02982	0.4
97.51394	0.2
98.20032	0.7
98.20615	0.5
99.00871	1.1
101.02430	2.9
103.57813	0.3
107.01396	0.9
108.02213	0.5
109.02959	0.9
111.00901	0.3
113.02437	3.3
121.02940	2.7
122.03724	0.7
123.00881	100.0
124.01750	6.6
125.02453	6.4
135.04622	0.3
136.01671	0.6
136.99179	0.3
137.02419	3.7
138.03224	63.4
139.00363	0.6
139.04028	15.2
140.04326	0.4
143.03497	0.3
149.02448	2.2
150.03194	1.1
151.00360	3.3
151.03961	1.5
159.03003	1.0
161.02487	0.4
161.04546	5.6
161.93530	0.3
163.04008	1.3
166.02689	2.1
168.00626	0.8
169.01424	5.7
175.00258	0.3
178.02695	1.1
181.05048	6.3
182.05382	0.4
193.05057	2.6
247.18724	0.3
300.99875	1.1
301.05634	8.3
301.09271	3.8
302.05994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
65.99851	0.7
71.01382	0.6
71.61345	0.8
73.02953	3.7
75.00871	5.6
78.91882	5.9
79.95740	0.8
88.83620	0.4
93.20862	0.5
96.96012	1.6
109.02941	0.9
115.11002	0.5
117.03493	2.4
118.06628	2.2
119.05022	1.0
120.99651	21.7
123.00880	2.3
123.08147	2.5
135.08160	8.8
137.02490	0.7
138.03227	1.1
139.03964	0.6
145.02945	29.3
146.03362	0.8
147.03261	2.2
148.04057	0.7
149.02435	0.5
151.00362	0.6
160.04030	10.5
161.04813	92.7
162.05598	17.9
163.02695	0.8
163.05937	0.8
164.03522	6.5
165.04114	0.7
175.02722	7.9
176.03448	1.4
179.07133	5.3
190.01340	0.6
192.03008	13.1
193.03784	64.7
194.04210	2.6
196.96072	1.0
197.11859	3.7
207.01619	0.6
208.02449	1.0
221.04575	7.4
221.08434	0.5
225.02887	0.6
240.10316	1.3
240.95062	2.2
241.10851	1.0
253.06071	0.6
258.96121	2.0
267.56741	0.5
271.10855	27.1
272.11206	2.8
283.10858	100.0
284.11185	8.5
300.99982	10.7
301.03558	1.5
301.07501	2.9
301.11926	40.6
302.00409	1.3
302.12256	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	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09485	0.5
57.03451	4.9
59.01374	1.3
61.76609	0.5
64.48328	0.4
69.03449	0.8
70.65543	0.4
75.00871	0.5
83.05024	1.3
85.06580	1.1
88.90989	0.4
95.05014	3.3
96.96008	1.5
97.06581	19.3
99.08164	0.6
111.08156	2.8
113.06104	1.6
113.09718	1.7
115.07677	1.1
117.15110	0.4
123.00905	0.9
123.04552	0.8
123.08173	4.0
125.09717	56.9
126.10041	1.3
131.07143	4.7
138.03236	0.7
139.11292	0.9
143.10747	1.1
145.08673	0.5
153.12881	0.5
159.06657	2.7
159.10262	5.2
169.08684	1.7
173.08191	1.5
176.35214	0.4
185.02335	0.5
187.09740	41.7
188.10054	1.8
193.15976	0.5
195.17532	1.6
207.06595	0.7
221.19081	31.3
222.19470	2.2
230.43973	0.8
235.06033	0.7
237.18524	1.0
239.16510	5.5
239.20036	3.0
250.08475	0.9
257.17645	1.0
257.21164	1.8
257.27298	0.5
265.10742	1.4
265.18069	18.7
266.18375	1.6
283.15530	6.0
283.19116	16.4
284.19431	1.5
300.99915	6.7
301.10986	2.2
301.16547	50.6
301.20184	100.0
302.00018	0.7
302.16913	4.3
302.20520	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.01374	0.2
59.33853	0.2
60.97496	0.7
61.05722	0.1
61.98809	0.2
69.29209	1.1
69.29620	0.3
74.99088	0.7
81.25565	0.2
88.35080	0.1
114.55891	0.2
118.96245	0.8
123.00822	0.2
134.99400	5.6
135.99313	0.2
136.97307	1.7
141.07436	0.5
141.44958	0.2
143.05324	1.5
150.98874	0.3
151.94623	0.2
159.08459	1.4
161.06390	5.3
162.06645	0.2
187.04265	0.2
201.04070	0.4
203.05656	3.1
204.05672	0.2
204.42068	0.2
205.03529	1.1
205.80884	0.2
215.05618	1.0
217.07190	79.5
218.07346	5.7
235.08296	0.2
261.06110	0.5
283.11871	0.5
285.13464	34.0
286.13641	3.8
301.16577	100.0
302.16772	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	301.2017
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.77375	0.4
57.03440	4.4
59.01365	1.8
60.47682	0.5
69.03436	1.0
71.04998	0.8
71.25400	0.4
79.95737	0.8
83.05035	0.6
85.06553	0.8
95.05045	2.9
95.95181	0.5
96.96022	3.1
97.06583	15.5
99.08169	1.0
107.51085	0.6
111.08129	1.8
113.06077	1.5
113.09727	1.4
115.07624	0.9
123.00845	1.3
123.04517	0.7
123.08144	2.8
125.09717	43.8
126.10027	1.3
131.07137	3.8
138.03209	0.8
139.11285	0.5
141.12866	0.6
145.08690	0.7
159.06630	2.9
159.10260	3.1
166.67584	0.5
169.08643	1.4
173.08142	0.9
183.13739	0.6
187.09744	30.6
188.10106	1.4
195.17485	1.8
207.06525	0.6
221.19090	30.7
222.19398	2.2
229.08519	0.7
235.06062	0.7
237.18553	1.1
239.16595	3.9
239.20129	3.4
240.16621	0.7
257.00604	0.6
257.17517	0.8
257.21140	1.0
265.10703	0.6
265.18039	18.6
266.18304	1.5
283.15521	5.9
283.19092	17.9
284.19409	1.5
300.99905	7.4
301.10980	2.4
301.16525	40.8
301.20151	100.0
302.00162	0.7
302.16873	3.8
302.20511	9.3
315.27533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77509	0.7
59.01361	2.5
59.84059	0.6
71.01379	1.7
72.99288	2.6
75.00866	1.3
79.51451	0.7
79.95732	85.8
89.02432	1.5
95.59039	0.7
95.95228	35.8
96.96003	69.3
117.01965	1.5
122.97577	8.2
137.03375	0.8
139.07579	1.5
142.99818	4.8
149.06081	1.4
151.00731	1.8
151.07661	8.2
152.98529	1.0
167.07027	1.9
174.01628	1.2
223.13341	1.1
225.07545	0.9
229.34445	1.0
288.06720	18.1
289.06924	0.9
303.09052	100.0
304.09445	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	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13498	0.7
55.03552	0.6
58.00603	0.6
59.01380	13.1
70.65317	0.6
71.01377	5.3
71.07039	1.1
72.99305	9.8
75.00867	3.2
79.05495	0.9
79.95734	84.6
80.95647	0.6
89.02442	10.0
92.95534	0.6
93.03434	0.7
95.05018	0.9
95.95232	33.0
96.96006	65.9
97.06594	4.5
98.20551	0.7
99.00880	3.8
107.05012	1.3
107.56605	0.6
109.06617	0.8
111.08182	3.0
112.98807	2.4
115.00350	0.7
117.01944	7.7
120.05782	0.7
121.06567	2.4
122.97577	7.7
123.08129	1.6
124.01608	1.3
124.98838	1.1
125.06104	3.2
135.02994	1.7
136.99077	0.7
137.02399	0.9
137.06039	1.0
139.07655	3.2
142.99861	16.2
149.06053	3.6
151.00746	1.2
151.07634	6.1
153.05528	4.0
166.06305	1.2
167.07155	7.2
173.00932	4.9
174.01689	5.2
177.21866	0.7
181.08690	2.8
193.05052	1.6
199.42369	0.6
211.05873	0.6
213.07597	1.1
225.07657	7.4
267.87271	0.7
288.06705	18.6
289.07129	1.0
303.09055	100.0
304.09393	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	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54898	3.1
59.01374	20.6
61.25445	3.3
62.15866	2.7
67.30167	2.8
71.01376	5.1
71.60394	4.0
72.99291	15.3
75.00870	11.5
78.69575	2.7
79.95739	63.9
84.09714	4.0
89.02440	11.9
95.95222	31.1
96.96004	88.0
97.06589	5.4
108.02137	3.8
109.06577	7.5
111.08154	13.5
112.98812	12.1
114.84114	3.4
117.01916	10.8
121.06605	8.9
122.97590	5.4
123.04483	2.7
123.08150	4.4
124.01634	6.2
129.47157	2.9
135.02991	3.3
139.07649	27.9
142.99855	50.6
149.06119	15.1
151.07538	3.6
153.05495	7.4
155.10753	10.8
167.07123	33.3
173.00890	13.7
174.01665	13.8
183.06610	4.3
192.65141	3.1
193.05099	4.7
199.09665	4.6
211.06105	9.1
213.07707	8.1
217.10806	11.0
225.07634	9.2
259.11829	3.4
288.06641	15.5
303.09048	100.0
304.09314	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	304.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	37.7
59.01371	0.5
59.03304	0.4
67.17291	0.3
70.02980	0.3
87.98143	0.3
98.19672	0.2
129.26468	0.3
151.11241	0.3
168.13919	100.0
169.14287	5.0
175.36284	0.3
181.28323	0.2
212.12866	3.0
304.19159	1.2
309.56793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01992	0.6
58.99596	0.8
59.01365	1.8
63.75544	0.6
68.99570	72.5
71.01392	0.7
71.58823	0.8
74.02468	0.8
74.77328	0.7
85.02899	0.6
85.04732	0.6
87.00885	1.0
96.96000	1.5
99.00847	1.0
101.02419	0.9
111.00877	1.6
112.98560	100.0
113.06093	0.8
113.98859	1.4
116.01764	1.0
120.99639	5.1
125.02458	1.6
138.05614	7.0
142.02780	1.0
143.03517	0.7
157.05083	1.1
217.05365	2.8
218.04874	2.5
221.90720	0.6
257.07321	0.7
261.12653	1.2
305.03384	1.3
305.09052	3.1
305.11780	1.4
306.06561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03676	0.4
57.03424	0.4
57.37243	0.4
59.01370	1.6
71.01377	33.6
71.50729	0.3
79.95729	9.6
80.96511	10.4
84.52117	0.4
85.02952	1.2
87.00870	1.2
90.70501	0.3
94.98081	11.7
96.96005	7.9
106.98084	1.2
108.01328	0.4
113.02460	0.4
120.99654	1.9
121.45055	0.4
122.97576	100.0
123.97846	0.6
131.03474	2.3
150.97057	14.6
153.08055	0.6
153.09203	7.2
168.98148	1.0
229.42787	0.4
305.07016	16.2
305.10632	5.0
305.13885	0.7
306.07416	0.9
323.88452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90371	0.3
59.01363	1.5
71.01378	32.4
71.61583	0.5
72.01685	0.5
72.10313	0.3
75.57509	0.3
79.95732	9.1
80.96512	9.4
84.79606	0.4
85.02924	0.8
87.00871	1.2
94.74660	0.4
94.97474	0.6
94.98083	11.6
96.96006	4.7
99.00865	0.5
106.43488	0.3
106.98085	1.3
120.48923	0.3
122.97578	100.0
123.97951	0.9
131.03453	0.8
150.97061	15.7
151.97420	0.3
153.09203	7.2
154.09555	0.5
168.98120	0.8
201.06750	0.4
224.38664	0.4
280.53818	0.4
305.07053	18.4
305.10645	3.7
306.07339	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22188	0.2
69.66266	1.8
73.92709	0.3
79.95731	8.6
86.10592	0.2
95.95253	1.1
96.96005	100.0
122.97603	0.5
124.94102	0.3
134.63194	0.3
163.66844	0.3
190.02814	0.7
210.12552	0.3
217.01428	0.6
218.02173	1.0
246.01672	5.0
261.04080	2.2
305.10614	80.9
306.10953	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25507	2.6
69.25929	0.8
71.03721	0.4
79.95742	2.9
85.21398	0.4
95.95238	1.2
96.96007	100.0
97.11303	0.3
98.19784	0.5
99.86095	0.3
101.23862	0.3
104.72408	0.3
118.34931	0.3
126.04828	0.4
136.11099	0.3
166.88547	0.3
201.72417	0.3
235.11214	0.4
245.31560	0.4
305.10614	61.6
306.10876	4.7
307.42593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09008	0.3
59.01363	0.8
69.96985	1.7
79.95734	10.3
83.25190	0.3
84.46207	0.3
96.96008	100.0
97.62161	0.4
98.95615	0.8
106.74320	0.4
114.23949	0.5
121.06590	3.8
122.97574	0.6
137.09720	16.9
138.10056	0.7
148.97774	0.3
167.00192	5.0
305.10614	66.4
306.10983	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
69.61624	0.5
69.62032	1.2
71.01380	0.5
79.95735	13.7
80.96532	0.3
88.25969	0.3
94.98004	0.3
95.95222	0.4
96.96006	100.0
97.95937	0.4
98.95615	0.3
100.56779	0.3
111.58941	0.2
119.05011	0.4
121.03149	0.2
122.97591	3.0
131.03502	0.9
150.39212	0.3
150.97083	0.3
179.63214	0.3
305.10611	77.4
306.07590	0.5
306.10959	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	305.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25740	0.4
55.01897	0.4
56.36626	0.3
57.03465	1.1
58.00586	0.6
59.01378	15.9
65.99845	0.6
69.03452	0.4
71.01380	8.8
71.59494	0.5
72.99336	0.6
73.02968	1.1
79.95753	0.4
81.07119	1.3
82.02979	3.1
83.01390	1.0
85.02952	2.7
87.00893	0.6
89.02441	9.9
92.05049	0.5
94.02956	1.6
95.01402	0.8
95.95236	0.5
96.04559	4.8
96.96044	1.0
97.02928	0.7
99.00884	0.7
101.02434	6.2
109.02927	0.7
111.00889	0.6
113.02456	3.4
119.03493	4.1
120.04572	1.1
121.02920	0.5
122.02438	0.6
122.03738	3.9
122.06127	1.2
125.02444	3.3
125.06097	1.4
136.04039	1.8
137.02458	0.5
138.05605	100.0
139.05974	3.3
149.04808	0.6
150.05653	0.3
153.58800	0.3
161.02400	0.9
161.04633	1.6
161.74506	0.4
167.03470	0.5
174.05556	0.4
179.05659	0.8
188.07124	0.8
190.08723	1.3
202.08611	1.0
210.64099	0.3
215.08488	0.3
216.10226	0.4
217.06114	0.9
218.06923	1.6
218.11815	1.5
219.12219	0.5
225.87808	0.4
233.09308	4.5
244.09738	0.9
245.09241	0.6
261.12387	10.8
262.12628	0.9
275.01825	0.4
287.05450	0.4
287.10376	2.2
305.06635	1.0
305.11560	24.0
306.12054	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62252	0.4
57.03202	0.5
57.03440	2.4
58.00597	0.7
59.01377	18.8
69.03461	0.6
71.01377	11.7
71.60588	0.6
72.99316	1.2
73.02959	1.0
79.95747	0.7
81.07111	1.3
82.02975	3.1
83.01389	1.2
84.66711	0.4
85.02935	3.9
85.48942	0.4
87.00893	0.6
89.02441	11.9
93.03488	0.5
94.02993	1.1
95.01385	1.1
95.95245	0.9
96.04549	4.4
96.96002	2.7
97.02961	0.6
99.00883	1.0
101.02438	8.3
109.02943	2.2
111.00867	0.5
113.02444	4.7
119.03490	5.2
120.04541	0.5
121.02964	0.5
122.03728	4.4
122.06141	1.7
125.02437	8.5
125.06088	1.9
133.02875	0.5
136.04039	1.7
137.02467	1.6
138.05603	100.0
139.04021	0.8
139.05965	3.5
143.03476	0.5
146.06139	0.6
148.00653	0.5
149.04674	0.7
150.05600	0.6
161.02444	2.5
161.04596	1.2
165.01929	0.9
167.03439	1.0
174.05521	0.7
179.05592	1.1
188.07111	1.0
190.08687	0.8
195.02953	1.0
202.08673	0.8
216.10168	0.5
217.06158	0.9
218.06931	1.8
218.11847	1.7
219.06540	0.5
219.12444	1.0
224.62822	0.4
225.07658	0.5
233.09276	5.0
234.09509	0.5
244.09746	0.9
261.04404	0.6
261.12387	11.1
262.12833	0.7
275.02185	0.4
287.05566	1.5
287.10306	1.6
305.03360	0.8
305.06586	1.9
305.11578	26.6
305.15891	0.9
306.11905	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50576	1.4
55.01871	2.0
57.03449	6.5
58.00584	4.5
59.01377	96.3
69.03446	3.0
69.95274	3.1
69.95664	3.5
71.01377	60.8
72.99290	5.2
73.02946	6.0
74.02458	1.8
74.99079	1.9
79.95712	1.7
80.96487	1.3
81.07098	7.0
82.02966	3.5
83.01375	7.2
85.02945	16.4
87.00867	3.5
89.02441	62.4
91.04647	1.2
93.03466	1.7
94.02969	1.8
95.01359	5.2
96.04516	3.0
96.49231	1.2
96.96004	10.8
97.02946	3.5
99.00861	3.3
99.04506	1.7
101.02439	40.2
109.02946	8.3
111.00854	3.6
113.02436	26.9
119.03500	25.9
119.04974	2.7
120.04586	2.0
120.99624	2.0
121.02924	1.9
122.03740	4.3
123.00823	1.9
123.04458	1.7
125.02452	24.9
125.06075	6.8
131.03496	2.2
135.98326	1.6
136.03989	1.9
137.02394	5.2
138.05605	100.0
139.00374	1.5
139.05940	3.7
143.03534	3.8
143.07135	3.0
146.02620	1.6
149.02345	1.9
151.03970	1.8
153.01979	1.6
154.97327	1.6
157.08649	3.0
161.02466	9.5
161.04523	5.9
164.01082	1.6
165.01871	2.3
175.07825	1.8
179.05608	3.5
194.26654	1.3
195.02971	4.2
208.60901	1.4
218.06946	2.2
218.11810	2.8
219.06610	1.4
225.07568	1.7
233.09283	4.5
261.07785	2.7
261.12390	11.0
267.17444	1.2
275.02063	3.1
287.05585	4.6
287.10202	1.5
305.03210	2.3
305.06631	13.6
305.12128	64.3
305.15994	2.7
306.07123	2.4
306.12607	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	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
57.03447	1.5
59.01374	12.9
61.98837	1.4
66.88242	1.0
71.05015	36.1
71.59985	0.9
76.04003	1.0
81.03445	2.4
83.05026	1.5
84.38494	1.1
93.03419	1.6
95.05018	15.6
96.05356	1.0
106.04227	2.5
107.05054	1.4
109.02909	1.4
109.06593	13.5
111.04542	2.1
119.04993	1.4
121.05772	1.1
121.06539	5.8
122.03723	2.9
123.08230	1.2
125.02420	1.0
127.07687	1.5
131.82629	1.1
132.05756	1.8
135.08163	5.2
141.01656	2.8
147.08174	3.5
148.74055	1.0
149.06035	1.6
150.06836	1.5
161.06056	1.8
164.08418	1.4
165.09196	10.2
166.13210	1.1
171.71068	1.3
175.11320	1.2
189.12793	13.5
205.15919	7.6
217.38458	1.2
231.13869	2.0
233.11856	7.4
243.17496	8.9
247.13408	1.4
249.14948	11.5
265.18179	1.1
269.15460	2.5
287.16498	73.5
288.16754	8.8
289.14542	1.2
305.17569	100.0
305.20618	3.5
306.17822	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	306.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
61.98826	100.0
62.98541	0.5
63.99257	0.5
69.50131	2.4
71.01396	0.7
79.69449	0.4
91.05586	0.4
101.06884	0.3
103.04009	0.6
121.02932	1.0
128.30304	0.4
134.97028	0.8
136.93962	0.5
136.96724	1.1
143.93773	0.4
161.98885	1.2
162.96561	0.8
162.99161	1.1
163.98695	1.4
164.96376	53.0
165.92310	2.1
165.93723	0.6
165.96486	3.2
176.98076	1.6
178.97859	0.5
182.77606	0.4
206.97424	20.6
207.97530	1.4
243.31302	0.4
306.97406	18.3
307.00006	1.4
307.93619	1.1
307.97620	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	307.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29626	0.3
58.60045	0.2
59.01371	1.4
70.21699	0.2
71.01380	28.5
71.59435	0.3
72.01680	0.3
73.81042	0.2
76.01819	0.2
76.50587	0.3
77.74525	0.2
78.98599	0.3
79.95733	10.1
80.96516	10.8
87.00890	1.4
94.98084	11.4
96.96001	2.8
106.98104	1.0
122.97581	100.0
123.97898	1.0
145.02968	0.4
150.97063	13.2
155.10776	9.0
156.11052	0.5
168.98158	0.5
183.42723	0.2
247.59248	0.3
307.08588	20.0
307.12109	1.5
308.08936	1.4
329.43271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40841	0.5
52.13872	0.6
57.03448	0.9
59.01377	19.8
69.51871	1.1
69.52280	2.6
71.01376	7.7
73.02951	0.8
79.95731	11.5
79.96194	0.8
82.02989	0.5
83.01364	0.5
85.02954	3.5
89.02441	5.9
96.96004	100.0
99.08179	1.1
99.52863	0.5
101.02434	4.9
105.59850	0.4
113.02434	1.9
118.82426	0.5
119.03513	2.3
122.97583	0.6
127.07667	2.9
129.01926	1.2
135.04469	0.5
145.08710	3.1
163.64091	0.5
233.00819	0.5
247.10527	0.6
248.09143	0.7
251.05777	0.5
307.11902	93.6
308.12323	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54056	0.4
55.74463	0.3
70.00283	0.9
70.00682	0.7
79.95724	2.2
94.19918	0.3
95.95243	0.9
96.96009	100.0
97.95941	0.7
307.12192	98.8
308.12534	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03202	0.2
55.65197	0.2
59.01376	1.2
59.96742	0.3
69.25559	0.2
69.74758	0.6
69.75166	1.1
71.01380	0.8
74.99067	6.4
83.47686	0.3
91.02209	2.4
93.00114	1.5
95.56867	0.3
113.60090	0.3
143.05331	0.3
148.33745	0.3
149.00920	2.8
149.01924	0.3
150.41035	0.2
157.05081	0.3
159.08443	8.1
161.06355	1.6
192.98190	0.8
206.99702	1.4
209.01273	2.4
210.01291	0.3
217.07214	0.5
223.02821	48.6
224.02847	4.6
241.03807	0.5
263.27930	0.3
275.06064	0.5
289.07471	2.1
291.09076	100.0
292.09192	11.5
307.12219	3.9
308.12369	0.5
309.10052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
59.80818	0.3
62.61946	0.3
70.48362	0.4
70.49126	0.3
71.01385	0.9
74.99068	6.5
77.40070	0.4
91.02211	3.0
93.00130	2.1
98.19827	0.8
103.03950	0.5
107.13535	0.4
123.12404	0.4
130.78966	0.4
143.09502	0.4
149.00945	2.0
156.28343	0.4
157.04999	0.4
159.08459	6.3
161.06372	1.5
162.65895	0.4
192.98117	0.9
206.99686	0.8
209.01227	2.6
212.71605	0.4
217.07265	0.7
223.02820	49.6
224.02872	4.3
229.28615	0.4
229.57446	0.4
247.08179	0.5
289.07584	2.2
291.09085	100.0
292.09201	11.7
307.12250	4.6
307.19131	0.4
308.12427	0.7
309.10205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03448	5.5
59.01376	100.0
60.01725	0.8
70.59721	1.3
70.60053	1.2
71.01376	6.5
72.99310	1.7
73.01163	6.5
73.02952	1.7
74.99094	1.5
75.00890	0.8
79.95734	1.2
80.91673	0.8
83.01366	3.5
84.02182	0.8
85.02946	30.0
87.00886	1.3
89.02455	1.6
96.96003	8.4
97.02943	0.9
99.00903	0.8
101.02428	3.4
101.06078	4.8
103.03995	1.1
109.02943	4.1
111.00874	11.7
113.02456	1.6
117.97337	0.6
119.05058	1.1
120.99702	1.2
122.06097	0.9
129.01941	16.6
135.04536	2.4
135.98375	1.9
136.99139	0.7
138.05606	2.6
139.05943	1.4
140.06126	1.3
161.02487	1.4
161.04572	2.9
172.83014	0.6
179.03540	1.7
179.26404	0.5
205.03477	7.4
219.07019	0.6
219.11064	1.0
242.73367	0.5
247.11868	1.7
263.05524	0.9
271.08224	0.9
307.09369	1.1
307.12476	10.2
308.12158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03437	2.2
59.01376	100.0
60.01699	0.7
69.02398	0.6
70.74957	1.0
70.75310	1.4
71.01376	10.0
72.99315	0.8
73.02953	1.7
79.95753	2.8
83.01380	1.8
85.02943	10.9
89.02438	7.1
95.01377	1.2
95.95216	0.7
96.96004	29.8
99.32671	0.7
101.02435	7.0
101.06064	1.8
111.00874	3.9
112.66433	0.6
113.02460	2.8
119.03505	2.2
120.99692	1.0
127.07663	2.0
129.01930	5.8
145.08691	7.3
161.04550	1.2
167.21735	0.7
179.05682	0.7
191.05675	1.0
205.03520	2.4
215.48215	0.7
307.04892	0.9
307.12289	17.6
307.14139	20.1
308.14902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01864	0.9
58.00589	1.3
59.01379	35.6
70.73512	1.9
71.01380	16.4
72.99311	0.8
73.02937	0.9
80.01434	0.6
80.05614	0.8
83.01407	1.0
85.02942	3.6
87.00854	1.6
88.91001	0.6
89.02438	16.5
95.01412	0.9
96.96006	18.0
96.96593	1.2
97.06597	0.7
97.10291	0.6
98.95605	10.2
98.96403	1.6
99.08152	17.6
100.08508	0.7
101.02435	11.7
104.89700	0.7
113.02464	6.9
117.07745	0.7
119.03480	5.9
127.07651	4.5
129.09277	1.6
141.09258	2.5
142.05096	0.7
145.08699	57.7
146.09067	2.1
180.01608	0.7
187.09828	2.0
307.14066	100.0
308.14438	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.4
59.01372	13.3
59.82813	1.3
67.01885	2.0
69.03441	3.3
71.01368	6.3
79.95720	1.7
80.02643	1.9
80.99718	1.3
81.03455	7.2
83.01382	13.0
83.05009	6.6
85.02940	1.7
88.67445	1.3
95.05011	6.5
97.02918	7.0
97.06573	12.1
103.03998	3.0
106.04220	3.0
107.05038	2.3
109.02946	1.9
109.06589	4.8
110.03735	1.6
111.08198	1.5
121.06532	1.7
123.04517	11.6
123.08159	7.7
125.06110	3.2
125.09724	25.7
135.08171	5.2
137.06107	2.3
137.09727	15.4
141.12830	4.1
142.02654	1.9
149.06087	2.7
149.09650	1.8
151.11273	1.8
157.04990	2.3
161.04546	1.6
161.09744	1.7
163.07561	3.0
163.11258	25.9
164.08380	1.6
165.09137	3.6
165.12857	3.5
167.10742	3.4
171.10193	2.5
177.12798	1.6
179.10793	2.0
181.12350	6.5
185.11809	27.6
191.10826	7.0
191.14404	27.3
191.16107	1.7
192.14754	2.6
196.57495	1.4
203.14525	1.8
207.10216	15.3
209.11809	60.9
210.12181	4.3
211.13365	2.7
219.13924	1.4
225.11282	13.3
226.11856	2.2
227.17838	1.6
233.15448	1.3
245.19073	53.7
246.19466	4.3
247.16995	2.2
261.18683	2.2
263.20175	4.1
271.16956	4.7
272.17212	1.6
279.19540	1.5
289.18073	100.0
290.18289	10.6
307.15604	2.8
307.19131	53.2
308.19397	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50911	2.8
57.03451	17.1
59.01375	25.9
61.98838	3.8
62.58867	3.1
69.03481	2.7
69.44912	23.8
71.01388	25.1
73.26965	2.7
79.95726	54.9
80.96522	13.6
81.03504	4.0
82.07581	2.8
83.05003	6.1
83.10387	3.2
95.05041	3.9
96.95987	6.6
97.06578	21.3
103.04016	5.9
106.04220	3.3
107.08646	3.6
111.08152	12.1
121.02966	3.8
121.06574	5.0
125.09695	7.1
149.09671	4.7
151.11273	28.3
153.09190	5.9
155.10741	7.1
157.05058	5.0
163.11253	8.1
165.12822	29.7
167.10757	3.5
169.12234	4.4
171.10245	8.7
177.12804	4.0
179.10777	11.5
181.12338	30.9
185.11800	12.6
191.10828	18.8
191.14453	8.0
209.11803	81.0
210.12170	5.0
211.13345	7.2
245.19131	27.2
261.18552	5.5
263.20148	12.3
271.16974	5.3
279.19711	5.6
289.18158	40.4
290.18243	4.1
307.15799	7.7
307.19107	55.9
307.22559	6.1
308.19019	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03448	17.9
59.01378	32.3
61.98813	4.9
69.03442	5.7
71.01373	24.0
71.13994	8.2
72.55189	3.2
80.02644	4.8
80.94884	2.9
82.89960	3.4
83.05018	7.3
89.04118	3.3
93.03448	3.6
93.24245	3.1
95.05021	6.9
96.64117	3.3
96.96007	7.0
97.06583	28.2
103.03999	7.8
109.06582	3.7
111.08139	14.6
123.04529	5.7
123.08150	4.3
125.09734	7.7
135.04466	6.2
137.09723	3.5
141.01909	3.4
147.11765	3.9
149.09630	4.4
151.11275	27.1
153.09190	6.1
153.12868	5.1
155.10762	13.3
157.05101	4.0
163.11238	12.0
165.12817	37.2
167.10667	3.5
169.12361	3.9
177.12828	5.1
179.10710	11.4
181.12347	52.7
191.10732	19.9
191.14449	9.1
197.11691	3.7
209.11813	92.9
210.12100	8.2
211.13390	9.4
217.15762	3.3
245.19069	49.3
246.19495	4.2
247.08096	4.5
251.70804	3.3
263.16550	3.6
263.20187	12.1
271.17142	5.9
279.19604	6.4
289.18115	52.1
290.18176	5.3
307.15598	6.2
307.19107	100.0
308.19467	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
56.52515	1.6
59.01375	14.3
71.01367	7.8
71.05031	3.9
71.59932	1.7
81.03446	1.8
83.05031	2.6
87.34963	1.5
89.02407	2.1
96.96013	5.0
103.04005	4.9
107.87101	1.9
109.06580	14.5
111.04489	5.8
123.08153	2.1
124.68694	1.8
127.07660	4.1
143.10809	2.4
157.05046	2.7
159.08263	1.7
167.10855	1.9
195.13887	3.1
245.19096	3.4
247.08037	1.7
271.17001	2.8
287.16428	2.3
289.18069	100.0
290.18506	9.3
290.21191	1.8
307.15826	3.1
307.19150	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	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01365	1.3
61.81477	0.4
64.35414	0.4
69.87407	0.4
71.01383	0.9
96.95991	0.5
103.03984	0.8
132.75000	0.4
157.05034	0.5
307.22766	100.0
308.23108	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	309.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
57.16404	0.7
58.00593	1.3
59.01377	42.5
65.31170	0.6
69.46498	2.9
69.46909	1.7
71.01376	22.5
72.99314	2.0
73.02943	42.0
74.03307	1.0
75.00868	2.0
75.23608	0.7
83.01409	1.4
85.02942	4.5
87.00862	2.7
89.02438	26.1
95.01370	1.3
96.96017	0.8
99.00870	6.9
101.01794	0.9
101.02447	15.9
101.06020	0.8
103.00356	1.3
111.00893	0.7
113.02447	10.5
117.01935	100.0
118.02272	2.4
119.03497	11.5
125.37486	0.7
129.01950	1.5
129.05566	4.3
135.02972	1.2
143.03458	1.1
147.02957	0.8
147.06644	4.3
161.04536	1.7
179.05598	2.3
273.36511	0.8
309.08237	4.5
309.11835	51.1
310.12125	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	309.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	4.3
69.43761	4.3
72.99304	3.7
80.46411	0.5
83.01388	3.2
85.02949	12.1
93.55032	0.6
96.96008	2.8
99.00867	1.3
101.02422	1.9
111.00877	100.0
112.01218	2.7
129.01961	2.6
154.99858	13.2
156.00162	0.7
158.83640	0.8
173.00897	30.6
175.02495	0.7
191.01985	1.2
300.15106	0.6
309.13748	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	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
60.52051	0.4
61.90057	0.4
66.89452	0.4
67.01888	3.5
69.49981	2.8
72.99306	3.3
73.02932	0.8
83.01385	2.8
83.33956	0.4
85.02946	12.2
85.40874	0.4
87.00877	0.6
93.60345	0.4
96.96012	8.1
98.95589	1.8
99.00890	1.1
101.02454	2.3
111.00877	100.0
112.01222	2.6
115.00394	1.3
129.01947	3.3
133.54469	0.5
145.41365	0.4
149.06042	0.4
154.99863	14.1
156.00201	0.6
173.00908	27.5
174.01242	0.9
175.02463	3.1
191.01994	1.4
193.05086	0.8
273.09799	0.4
297.89856	0.4
309.09601	1.9
309.13403	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	309.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03440	1.1
58.00576	2.2
59.01376	71.8
60.01707	0.7
68.86500	0.6
69.40006	3.6
69.40413	1.1
70.97966	0.6
71.01378	34.5
72.99315	4.5
73.02941	4.0
74.20052	0.7
83.01370	2.0
83.05029	1.4
85.02941	7.9
85.06550	0.8
87.00858	2.8
89.02438	34.0
95.01389	1.7
96.96001	1.5
97.35753	0.6
98.20608	1.0
99.00855	1.0
99.04502	0.8
101.02435	23.9
101.06091	4.4
111.04490	1.5
113.01705	1.1
113.02444	12.1
114.02735	0.9
117.01939	4.6
119.03496	14.7
129.05573	15.6
130.05876	1.1
131.03464	1.0
143.03476	1.4
147.06625	12.8
148.06314	0.8
149.04543	0.7
161.04509	1.9
179.05612	2.5
249.00299	1.6
273.12335	0.7
300.97217	0.8
309.11877	100.0
310.12271	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	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
57.03418	1.4
58.00594	2.2
58.14578	1.2
59.01378	73.2
64.30598	1.3
70.68350	1.2
71.01377	39.2
71.35088	1.8
72.99300	3.6
75.00861	1.3
83.01379	1.5
85.02939	8.4
87.00861	2.8
89.02439	42.5
95.01374	3.4
101.02438	21.6
113.02442	14.7
119.03493	17.9
129.05600	6.2
143.03441	2.2
147.06618	2.4
149.04462	1.5
161.04515	2.0
179.05598	2.5
183.78261	1.1
215.84596	1.1
225.98090	1.0
309.11884	100.0
310.12207	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	309.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	1.1
69.82915	3.2
73.16644	0.7
77.56411	0.7
96.96007	0.9
98.20596	0.8
140.91019	0.9
145.59442	0.8
149.70238	0.8
150.06827	1.6
161.13336	8.8
205.12308	32.8
206.12666	1.7
223.13382	2.0
249.11316	3.3
281.63791	0.9
309.13406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03446	1.6
59.01381	7.4
67.01897	1.0
69.20107	1.0
70.63914	2.2
70.64273	2.1
71.01370	1.4
83.05006	1.0
91.50987	1.0
93.07098	1.7
96.95994	1.0
97.06615	2.0
98.20520	1.3
99.66643	1.0
111.08177	2.6
121.10232	9.6
123.19154	1.0
125.09706	8.4
137.09705	3.9
151.03952	1.2
151.07750	0.9
151.11290	1.0
167.14308	1.4
171.10278	7.5
185.11813	8.6
195.13766	1.3
197.11795	4.2
209.11792	1.4
211.13371	59.9
212.13768	3.1
247.20662	1.2
269.07874	1.1
273.18643	1.1
291.19641	100.0
292.19983	7.8
301.20294	0.9
309.17111	2.7
309.20673	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	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.02066	1.2
55.01881	0.9
57.03445	1.5
58.31354	1.2
59.01376	10.0
61.98827	1.5
69.03451	2.0
71.01379	2.1
71.48598	2.3
77.11636	1.1
83.05022	1.8
85.06573	1.1
95.01398	1.7
95.99010	1.0
96.95998	3.3
97.06561	1.2
99.00877	10.2
109.06575	2.6
111.00851	1.6
111.08149	11.3
123.00961	1.4
127.07616	1.7
137.09680	2.3
151.03990	22.4
151.07637	43.1
152.04530	1.0
152.08418	34.1
153.08861	1.9
169.12364	2.6
171.10240	4.7
184.07402	6.4
190.10007	3.7
193.08751	3.5
195.13846	3.5
196.87921	1.1
197.11826	30.8
198.12131	2.3
199.13409	2.8
208.11015	5.7
209.15459	61.4
210.15785	4.3
211.13397	7.2
216.77792	1.1
221.15399	6.7
223.13342	2.9
239.16609	1.8
247.16983	2.7
252.10034	8.9
263.20084	2.7
265.18100	12.9
273.18549	1.4
291.16074	4.5
291.19565	23.5
292.20065	2.7
309.17020	100.0
309.20660	49.9
310.17374	10.2
310.21011	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03434	1.2
59.01372	5.4
62.15678	0.6
63.99370	0.8
69.03457	1.7
70.67566	2.5
83.05041	1.2
97.02930	1.4
99.00873	2.5
109.06561	1.2
111.08150	33.3
123.08147	1.0
127.07635	1.7
129.96312	0.8
151.04028	4.7
151.07626	8.1
151.11278	1.0
152.08415	7.5
153.09109	1.1
153.12834	1.8
167.10732	1.2
169.12317	5.5
171.10257	2.5
179.10942	0.8
181.12314	2.2
183.13878	1.2
190.09859	1.1
193.08644	0.9
193.12347	1.1
197.11815	100.0
198.12210	5.5
199.13351	3.2
208.11052	1.0
209.15457	13.4
210.15816	1.1
211.13377	11.0
227.12883	3.3
232.47470	0.9
247.20694	1.7
251.16512	1.2
252.09985	1.1
263.20026	5.0
265.18042	5.1
266.18439	1.0
273.18637	2.2
291.16226	1.7
291.19586	26.1
292.20035	2.6
301.70154	0.9
309.17050	21.9
309.20700	39.1
310.17715	1.5
310.21024	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	309.207
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
54.75130	0.7
57.03460	1.3
58.00613	1.5
59.01370	5.0
61.14103	0.6
64.92704	0.6
68.37057	0.7
69.03473	0.9
71.27012	1.4
73.02971	1.0
78.71133	0.9
97.06603	1.0
98.19976	0.9
109.06592	2.0
111.08150	26.0
111.08872	1.4
112.08521	0.9
118.14925	0.7
127.07690	2.3
138.38737	0.8
151.04028	2.0
151.07616	2.1
151.11327	1.4
152.08408	2.1
153.12880	1.8
169.12337	6.0
171.10257	0.8
181.12360	1.7
183.13942	2.2
184.52510	0.8
184.87999	0.7
197.11812	100.0
198.12192	5.6
199.13458	4.2
209.15405	4.0
211.13391	10.2
212.13686	1.0
227.12747	1.5
257.78033	0.8
263.20132	7.4
265.18018	4.7
273.18558	1.1
291.19623	18.0
292.19873	1.8
309.17029	6.5
309.20612	40.7
310.20978	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	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
59.01377	9.0
62.42309	1.0
71.01363	1.6
71.29595	2.2
96.95985	1.5
97.06590	1.9
98.03808	1.1
99.00854	1.4
107.26118	1.0
113.09694	2.3
118.18497	1.1
139.11246	1.1
141.09200	1.9
146.35472	1.2
151.03990	4.1
151.07628	7.2
152.08418	5.6
165.12816	3.8
167.10773	1.8
167.14455	2.5
173.23763	1.1
181.12343	5.0
183.13895	1.4
193.12170	1.4
195.13849	2.4
196.44203	1.0
197.11819	1.4
207.21837	1.0
209.15430	11.0
211.13344	5.4
221.15388	1.1
240.13626	1.2
247.16826	1.2
247.20667	3.7
252.09962	1.6
265.18015	2.3
273.18433	2.2
281.21243	2.1
291.19641	41.7
292.19897	4.1
309.17035	22.7
309.20642	100.0
310.17746	2.2
310.21036	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
54.58410	1.6
57.01755	1.4
57.03442	3.7
59.01370	12.3
61.92325	1.4
69.43571	10.0
73.98878	1.4
80.02689	2.0
81.03456	3.4
83.01381	9.5
83.05003	2.4
95.05003	2.2
96.96004	2.7
97.06583	4.2
98.19886	3.2
99.00828	2.2
123.04505	4.3
123.08147	4.1
125.06082	1.6
125.09721	10.8
127.11282	2.9
135.08150	2.6
139.11299	12.3
151.04094	2.1
151.07628	9.8
151.11238	2.0
152.08389	4.2
162.10558	1.8
163.11234	6.0
165.12831	17.1
167.10756	6.7
168.11490	2.1
181.12317	3.6
183.13866	1.9
184.07352	1.8
191.10747	3.8
193.15941	3.8
197.11829	2.9
209.11800	66.1
209.15208	13.2
210.12119	4.6
211.13286	2.6
219.17455	1.7
246.59921	1.6
247.20659	14.8
252.10159	2.3
265.17966	3.0
265.21622	5.5
273.18674	3.4
281.21216	3.2
291.19632	100.0
292.19916	8.5
309.16986	17.5
309.20645	39.1
310.21021	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.85772	7.7
58.81497	7.8
59.01382	52.6
61.98817	8.6
65.58144	8.7
67.52720	7.4
71.57423	13.0
91.75820	9.0
96.95997	13.6
100.90284	8.7
111.49835	9.7
117.23242	9.8
119.08629	12.6
121.10201	26.3
125.09664	21.6
142.68022	7.7
151.04041	16.5
151.07603	33.7
152.08414	39.1
157.77769	8.0
171.10216	28.7
185.11807	29.1
193.15085	8.9
197.11827	16.0
209.11578	9.4
209.15401	49.7
211.13269	15.8
225.16660	9.8
247.20650	9.2
265.18164	8.4
265.21725	13.4
269.98383	7.9
291.19568	86.0
309.16922	100.0
309.20648	67.4
310.20694	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	310.0932
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
55.01886	2.0
57.03436	2.3
59.01105	3.4
59.01380	52.7
69.79683	10.2
71.01386	33.9
72.68380	1.6
72.99298	4.3
73.02946	4.1
75.00894	3.4
75.28925	1.5
77.90847	1.8
80.56893	1.8
81.30638	1.5
83.01402	2.1
85.02939	10.3
87.00875	5.3
89.02441	23.5
92.05050	6.8
93.03442	2.2
95.01382	2.6
101.02444	17.5
103.88169	1.7
107.05006	1.8
110.06110	7.0
111.06432	5.1
113.02448	11.0
116.05038	2.1
118.02965	2.5
119.03487	7.3
120.04546	7.7
131.03674	6.3
132.04568	14.8
132.28165	2.5
134.06142	4.0
144.04535	7.4
146.02469	61.7
146.06081	3.7
147.03261	54.8
148.04092	12.6
159.03143	1.8
160.04030	80.3
161.04445	6.3
162.05566	7.9
172.04012	9.2
173.04555	2.8
174.05574	14.4
179.02245	8.5
179.05614	3.4
186.05531	4.1
199.24774	1.9
202.05084	24.7
204.06627	2.5
214.05106	4.7
215.22856	1.7
220.06088	4.1
221.04451	1.8
232.06181	2.7
250.12791	2.4
292.08310	2.2
310.09314	100.0
311.09442	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	311.0982
Annotation	Vicianose
Peak:m/z	Relative Intensity
57.03457	1.0
58.00579	2.5
59.01375	60.8
60.01712	0.8
69.03447	3.4
71.01375	31.0
71.57490	0.9
72.01704	0.8
72.99287	1.3
73.02941	3.4
75.00858	1.0
83.01395	1.6
85.02934	7.4
87.00861	3.2
89.02438	44.0
95.01386	2.1
101.02435	23.0
102.02734	0.9
104.06685	0.7
113.02450	11.6
119.03486	14.0
124.00714	0.7
131.03485	3.7
143.03508	1.6
149.04559	2.1
161.04536	2.2
179.05615	4.7
242.32968	0.7
311.09808	100.0
312.10135	5.1
322.01151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
59.01377	100.0
69.72256	0.6
71.01373	12.4
71.06908	2.0
73.02955	2.7
75.77101	0.6
78.83086	0.6
83.01405	1.7
85.02937	3.9
87.00906	0.9
88.00269	0.6
89.02431	4.9
90.63207	0.7
98.99507	0.7
99.00911	1.6
101.02435	7.9
105.02863	0.7
113.02427	6.0
119.03506	1.8
120.08114	0.6
120.38400	0.7
150.05652	1.0
159.03006	0.8
161.04570	11.1
179.05624	1.9
229.58798	0.7
251.11337	23.2
252.11850	1.2
265.02435	0.8
265.05045	0.6
311.09772	7.4
330.19351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.43452	1.0
57.03437	1.1
59.01105	1.3
59.01380	21.4
61.98818	1.4
69.30813	0.9
81.76652	1.0
83.05006	1.1
85.02946	2.0
98.19786	2.7
99.08142	2.7
101.02418	2.6
112.19776	0.9
113.09715	3.8
118.07471	1.1
129.09200	6.7
139.11290	1.1
151.11214	1.5
153.09245	0.9
161.04491	1.7
169.12346	2.6
171.10197	2.2
181.12323	4.6
183.01318	1.3
183.13852	2.7
193.12323	3.4
197.11804	13.5
199.13316	5.7
206.21906	1.2
211.13397	21.4
212.13766	1.9
230.06891	1.7
251.11319	5.5
275.20129	2.1
293.21201	21.2
294.21613	1.9
311.16559	2.9
311.22250	100.0
312.22604	11.5
316.65585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03419	1.2
57.34148	0.8
58.98766	1.0
59.01104	1.2
59.01377	20.8
69.42442	7.6
71.01378	2.4
98.20652	1.9
99.08138	2.8
101.02415	2.0
113.09705	3.4
125.16647	1.0
127.11300	1.3
129.09201	7.0
139.11249	3.0
161.04607	1.6
168.91345	1.2
169.12350	2.3
171.10260	12.1
172.10605	1.4
181.12325	4.2
183.01151	1.3
183.13860	1.7
184.08153	1.0
185.11769	2.2
193.12279	1.6
197.11787	8.5
199.13383	3.8
201.11221	2.0
211.13374	17.7
212.13663	1.5
251.11292	4.9
275.20163	2.7
293.21259	14.2
296.07104	1.5
311.16492	2.8
311.22238	100.0
312.22568	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01383	0.8
61.98810	0.2
67.20623	0.2
70.63255	0.2
71.01379	0.3
72.22067	0.2
76.37748	0.2
77.03974	0.3
83.05031	0.3
89.02430	0.3
93.03462	0.3
101.02421	0.2
107.47131	0.2
111.08154	0.8
121.02947	100.0
122.03291	3.2
125.09718	0.6
149.60245	0.2
155.47108	0.2
180.05791	0.9
181.06577	4.9
189.59570	0.2
225.05539	6.2
226.05940	0.5
229.21355	0.2
253.09259	0.8
269.08170	0.4
269.98071	0.6
285.00403	0.5
297.97464	0.6
312.99905	2.0
313.07141	17.9
313.20175	1.0
313.23483	0.3
313.99957	0.3
314.07501	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	313.0929
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
53.41023	0.3
55.01884	0.3
56.98019	1.7
57.03422	0.3
58.00584	0.7
58.99599	1.0
59.01377	9.9
60.13933	0.4
61.35107	0.3
68.36054	0.4
69.63086	1.3
69.63485	0.8
71.01382	9.2
72.99304	0.6
73.02943	1.5
74.02486	0.8
75.00862	0.7
79.95743	0.3
83.01373	0.6
85.02953	2.8
87.00881	0.9
87.04462	0.5
89.02440	6.3
95.01414	0.5
96.96043	1.7
97.02941	0.7
97.06538	0.5
98.02468	0.7
99.00884	0.8
101.02441	5.3
107.05028	16.8
107.65324	0.3
108.02180	0.5
108.05317	0.5
109.02982	3.1
111.00895	0.5
113.02429	3.5
118.98055	1.2
119.03492	2.9
119.05029	0.5
120.99688	0.6
121.02928	0.5
123.00892	1.1
123.04530	0.6
124.01645	0.8
124.07661	0.4
125.02436	1.4
137.02466	0.4
139.00368	0.4
143.03532	0.6
150.03194	1.1
150.06776	0.4
151.03999	100.0
152.04321	4.5
159.03009	0.5
161.04555	2.9
169.01387	2.4
179.05576	0.7
184.44978	0.4
186.11444	0.6
253.09268	1.3
254.22452	0.4
312.99924	0.4
313.05609	2.5
313.09305	11.9
313.12973	4.6
314.09540	1.1
314.12695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0926
Annotation	Pungenin
Peak:m/z	Relative Intensity
55.01860	2.1
57.03434	6.4
59.01376	31.0
71.01003	3.5
71.01373	51.2
71.57845	2.4
72.36127	1.8
72.99290	5.4
73.02943	11.4
75.00859	6.9
83.01382	9.2
85.02943	26.5
87.00865	7.5
89.02436	8.4
93.03455	29.8
95.01387	5.7
96.95997	5.7
99.00897	8.9
101.01379	2.0
101.02439	34.4
107.05010	16.5
108.02165	19.3
109.02922	14.1
113.02448	24.0
119.04988	1.9
121.02924	6.2
123.04483	10.5
125.02415	4.1
135.04497	6.2
149.02429	11.8
150.03157	3.9
151.03993	51.5
151.05969	2.6
152.04323	2.7
159.02995	3.9
161.04556	21.3
163.03906	2.6
163.07603	2.3
166.89156	2.0
169.01413	2.4
181.05193	1.8
187.56142	2.1
216.96947	1.7
233.21808	1.8
253.09277	9.5
269.10355	4.6
289.84540	2.0
313.05917	6.0
313.09232	100.0
313.12466	5.0
314.09448	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	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.01884	0.7
56.98021	0.5
57.03431	0.9
58.99601	0.4
59.01377	3.2
63.41477	0.4
69.03465	0.4
71.01378	16.4
72.99305	1.0
73.02943	4.5
75.00854	2.0
83.01383	1.9
85.02952	6.7
87.00868	0.9
89.02448	1.3
95.01387	1.6
96.96022	1.3
99.00868	2.4
101.02435	8.8
107.05022	100.0
108.05350	3.4
112.80506	0.4
113.02450	7.6
114.75023	0.4
118.98112	0.7
119.22723	0.4
121.02984	0.5
122.91042	0.4
123.00840	0.5
123.08143	0.5
125.02472	2.2
129.01898	0.4
141.36172	0.4
141.47440	0.4
143.03468	0.9
151.00328	0.6
151.03993	7.5
159.03017	2.0
161.04543	10.3
162.04918	0.4
165.84541	0.5
169.01442	2.8
187.62720	0.4
236.34727	0.3
253.09261	1.0
313.05624	3.3
313.09387	2.1
313.13345	3.3
314.06110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.41837	0.4
51.60948	0.5
57.03442	0.5
59.01369	0.7
69.27653	4.3
71.01359	0.6
90.78346	0.4
91.02195	0.4
94.02422	0.4
96.34909	0.5
98.20646	1.0
120.17081	0.4
131.55669	0.4
178.76425	0.5
185.00763	1.6
197.12000	0.4
249.22169	0.7
251.23766	66.4
252.24110	6.7
253.09175	0.9
269.24753	1.6
295.22745	25.1
296.23038	2.6
312.99875	2.0
313.16260	2.9
313.23810	100.0
314.24158	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	314.005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93140	0.1
59.93202	0.1
65.00047	0.1
65.00341	0.2
69.70500	0.5
75.02438	0.2
84.48201	0.1
95.77638	0.1
103.01355	0.1
103.01969	0.3
107.05462	0.1
112.60980	0.1
115.01865	0.2
119.01379	0.2
131.01360	0.8
135.16699	0.1
143.01372	0.6
147.00880	0.7
158.03787	0.1
159.00838	1.4
160.01265	0.1
167.38762	0.1
171.00874	2.5
172.01476	0.1
175.00334	0.2
187.00357	5.0
188.00742	0.3
199.00346	2.0
200.01041	0.4
201.01869	0.2
202.99872	0.3
213.01768	0.2
214.02733	0.1
214.99846	9.8
216.00233	0.6
226.99797	0.6
228.00069	0.1
229.01410	0.1
241.01520	0.1
242.02167	0.2
242.99326	27.4
243.99661	1.9
254.99423	0.2
258.01721	0.7
270.98819	100.0
271.99161	7.2
282.98718	0.2
283.99576	1.1
285.00342	1.7
286.01099	1.0
287.01462	0.1
297.00589	0.1
298.98300	73.4
299.98792	9.2
312.99878	2.7
313.03455	0.1
314.00650	81.2
315.01105	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	315.014
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
58.63660	0.1
65.00333	0.1
69.73262	0.4
73.14140	0.1
76.19676	0.1
76.84370	0.1
85.76502	0.1
86.89248	0.1
88.15412	0.1
104.02673	0.2
120.02139	0.2
120.70474	0.1
124.01647	0.1
124.43129	0.1
132.02173	0.5
135.00841	0.1
140.80614	0.1
144.02094	0.4
147.00800	0.1
148.01669	0.4
160.01643	1.0
172.01651	1.4
176.01097	0.3
187.00421	0.2
188.01137	1.1
199.00371	0.1
200.01129	3.0
201.01447	0.2
214.99785	0.1
216.00610	4.3
217.00923	0.2
226.99841	0.5
228.00563	0.6
230.99289	0.2
231.99802	0.1
242.99306	2.5
244.00076	3.5
245.00375	0.2
270.98807	1.3
271.99561	0.9
282.98862	0.5
298.98312	1.3
299.99069	100.0
300.99411	8.6
307.37848	0.1
315.01425	65.7
316.01761	6.0
316.05554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16384	0.2
57.58427	0.2
59.36234	0.3
61.33592	0.2
69.50951	0.5
69.51350	1.2
72.07382	0.2
83.30650	0.3
95.09092	0.3
113.56059	0.2
123.05379	0.3
132.02164	0.5
144.02141	0.5
147.00917	0.2
147.02209	0.3
148.01570	0.4
160.01654	1.3
162.24219	0.2
163.00392	0.4
165.01903	0.6
172.01630	1.2
176.01103	0.6
183.15828	0.2
188.01181	1.4
200.01117	2.4
216.00613	3.8
226.99879	0.7
228.00606	0.6
241.14687	0.2
242.99289	2.1
244.00104	3.7
270.98792	1.3
271.99472	1.0
282.98828	0.7
287.05701	0.3
291.55746	0.3
298.98343	1.6
299.99078	100.0
300.99414	8.9
315.01434	64.2
316.01761	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.47350	0.2
55.01867	0.3
57.03437	0.5
59.01379	1.5
65.00307	0.6
67.01869	0.3
68.99819	0.7
69.03437	0.2
70.44308	0.6
70.44666	0.4
71.01379	1.6
74.99085	0.9
78.91537	0.2
81.03457	0.5
83.01381	3.8
85.02941	1.3
89.02434	0.9
95.01383	0.8
96.96006	0.4
97.02934	0.4
101.02435	1.1
107.01384	1.9
108.02155	0.5
109.02947	2.3
111.00828	0.3
113.02444	0.6
120.99618	0.4
121.02900	0.3
123.00885	3.2
123.04523	2.6
124.01650	1.5
125.02441	4.8
135.04494	2.2
136.99176	0.3
137.02507	0.3
138.03227	2.3
139.04025	0.4
139.05093	0.5
149.02441	0.5
151.00357	14.5
152.01161	3.4
153.01927	100.0
153.05510	8.5
154.02263	4.2
161.04515	0.5
165.01935	0.3
167.03494	1.6
169.01442	0.4
177.01967	0.5
178.62628	0.2
183.04066	0.4
195.02928	1.1
209.12930	0.2
248.59055	0.2
276.90421	0.2
278.06000	0.2
315.07236	19.9
315.10925	2.1
316.03577	0.4
316.07584	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01375	7.0
69.41951	6.2
71.01382	3.5
73.02930	0.8
73.03855	0.7
79.88914	0.7
81.03458	0.8
85.02946	2.5
89.02423	1.9
95.01371	1.6
101.02473	1.2
105.26922	0.7
108.02171	100.0
109.02968	31.2
113.02455	1.5
117.05575	15.5
123.00894	1.6
123.04514	6.9
129.38371	0.7
133.02991	1.5
135.00870	1.0
136.04012	2.0
151.03996	1.7
152.01149	67.1
153.01939	32.4
153.05542	8.0
154.02322	1.0
163.04041	1.0
165.01939	2.2
165.51472	0.8
187.03487	0.8
195.02936	1.4
207.02943	0.8
240.63316	0.8
279.10907	1.8
309.11066	0.8
315.07205	81.7
316.07541	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	315.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46019	0.8
58.00576	0.9
59.01375	32.0
68.01448	1.1
70.42594	1.7
70.42982	1.1
71.01375	16.0
72.99316	2.1
81.03441	0.8
83.01369	1.3
85.02953	3.2
85.97334	0.8
88.28227	0.8
89.02439	13.6
94.02998	2.3
95.01406	2.5
96.96049	0.8
100.73114	0.8
101.02433	8.0
107.01406	0.9
108.02168	6.3
109.02945	42.4
110.02486	2.3
110.03268	1.7
111.00861	2.4
111.01995	2.4
112.04054	3.7
113.02439	6.0
119.03493	3.4
122.03704	1.0
123.00871	1.6
123.04524	16.5
124.04044	12.4
124.04869	1.6
125.02438	1.3
136.04036	40.4
137.02448	1.9
139.00354	3.0
139.03993	2.1
149.02415	0.7
151.04025	1.2
152.01138	10.0
153.01926	100.0
153.05542	21.9
153.06747	1.7
154.02296	4.1
154.05080	3.2
165.01955	1.9
166.05048	2.1
167.03476	1.8
177.02005	0.8
179.05695	0.9
181.03697	0.8
182.99347	1.1
183.04095	2.8
195.02971	24.0
196.03276	1.3
196.06108	1.3
225.04124	1.3
255.05058	13.7
279.10818	7.4
286.09286	4.5
298.09451	0.9
315.07193	73.2
316.07181	4.5
316.10696	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	315.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.2
60.43234	1.3
61.98825	5.2
71.01394	4.7
72.97514	2.6
85.02964	2.7
89.02466	3.1
95.02393	1.6
101.02434	1.9
108.02166	31.0
109.02963	24.5
110.02466	2.0
112.04059	3.7
122.03772	3.0
123.04522	69.0
124.04847	2.2
127.02953	1.8
135.04538	2.4
136.04018	3.7
152.01143	19.7
152.04739	3.8
153.01945	29.5
153.05569	100.0
154.04950	3.3
154.06021	4.3
165.01900	1.8
201.31438	1.3
238.06898	2.2
254.99760	3.2
263.36417	1.5
263.46924	1.5
315.07159	35.9
315.10992	3.3
316.07120	2.8
316.10440	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21781	1.8
59.01377	9.3
61.98835	8.8
62.87627	1.9
70.32767	7.4
71.01373	5.1
73.38236	1.7
75.67397	2.0
81.03427	2.3
85.02937	3.0
89.02450	3.5
95.01371	2.7
101.02451	4.6
108.02165	36.8
109.02957	25.8
110.02454	2.7
112.04044	3.2
122.03760	3.4
123.04520	67.1
124.04853	2.8
132.96504	1.9
134.03653	2.3
135.04504	4.6
136.04013	5.3
151.04018	2.2
152.01146	25.1
153.01952	31.5
153.05566	100.0
154.05014	4.1
163.03842	1.9
185.70013	1.8
195.02876	2.4
196.06007	2.5
196.39017	1.9
204.41785	1.9
254.99879	2.5
277.41135	1.7
279.10855	2.3
315.07175	36.2
316.03357	2.3
316.10358	2.6
318.06467	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
56.91153	0.2
69.84488	0.3
69.92410	1.0
81.03489	0.3
87.64799	0.3
95.05026	0.7
108.02238	0.3
110.08533	0.3
116.41003	0.3
122.03763	0.6
123.04520	69.1
123.39024	0.3
124.04834	2.4
132.88748	0.3
153.05568	100.0
154.05899	4.3
163.09576	0.2
163.44580	0.2
304.97684	0.2
315.10834	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	315.1809
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.35400	0.9
59.01350	2.1
63.55561	0.9
69.03452	1.4
81.03390	0.8
83.05028	1.6
95.05022	31.8
97.06581	96.9
97.40031	0.9
98.06920	3.6
98.19761	1.6
99.64846	0.9
114.29737	1.0
115.07640	9.3
119.71390	0.8
127.11188	1.7
139.11267	3.1
141.05556	2.1
153.05489	1.0
159.06615	18.0
169.04364	0.9
173.11810	49.5
174.12137	2.1
180.01842	1.0
183.10211	1.8
201.11320	2.3
216.00594	1.0
237.64050	1.1
253.18042	4.0
297.17026	9.8
298.17496	1.1
299.99133	12.1
315.01483	8.4
315.18097	100.0
316.18427	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	315.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18958	1.3
57.03439	3.3
59.01359	6.1
70.46355	1.5
71.54823	1.2
80.44558	1.3
83.04988	1.4
95.04991	1.8
97.06577	13.5
113.09700	9.1
123.08154	7.1
125.09714	79.5
126.10040	3.1
127.11288	1.7
141.09215	2.0
155.10770	2.6
159.10254	90.8
160.10605	5.3
169.08580	2.0
173.11809	54.0
174.12158	1.8
187.09712	3.2
217.00175	1.4
254.85591	1.9
271.91272	1.4
299.99155	7.3
300.99438	1.7
315.01358	3.0
315.21744	100.0
316.22235	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	317.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43087	0.4
59.01380	0.5
70.21933	0.8
70.22320	0.8
71.01373	4.4
73.02953	1.0
74.59840	0.4
78.98592	3.5
79.95728	4.3
80.96512	43.7
81.03456	0.8
85.02924	2.3
86.05438	0.4
87.00876	1.9
94.98083	9.6
96.95998	0.4
97.02933	0.8
101.02409	2.1
106.98075	2.7
122.97591	2.2
125.02450	2.4
127.03969	0.6
134.97566	3.2
136.99124	0.9
148.99147	4.0
152.98624	5.1
164.98613	8.3
188.98540	0.4
206.99654	2.2
225.00725	14.1
226.00989	0.8
256.87659	0.6
274.88898	0.7
317.05438	100.0
318.05798	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
59.41155	0.5
62.61219	0.5
68.99802	0.6
69.57317	3.7
72.99289	0.5
80.96522	0.7
83.01355	0.6
91.30180	0.5
94.02975	0.7
96.08154	0.6
96.95988	1.5
97.02925	1.0
104.05059	1.7
109.02937	1.3
111.99934	0.5
114.78471	0.5
118.02995	1.2
120.04525	0.7
121.02996	0.6
122.06111	5.3
123.04547	1.2
124.04035	0.8
124.07681	4.6
125.02459	0.9
131.03789	0.7
134.06059	0.6
136.04028	0.5
136.07675	11.5
137.04884	0.6
137.07990	0.8
139.03975	0.7
148.99199	0.6
149.02440	1.7
149.04834	0.9
150.05592	1.9
153.01959	0.6
164.03493	2.1
165.01848	0.8
181.03835	0.6
185.07233	1.4
196.07634	2.2
198.04353	1.4
200.10812	1.6
212.10875	1.6
225.06662	2.3
226.07350	1.1
227.08215	8.8
227.11877	1.7
228.08495	0.7
239.08246	3.1
240.08974	5.8
243.11377	6.0
255.11362	28.9
256.11670	2.6
273.12430	100.0
274.12805	9.8
289.07065	0.8
317.06586	8.0
317.11374	12.4
317.15433	0.7
317.19571	0.9
318.11627	1.1
321.60876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98856	0.8
64.22698	0.7
64.28035	0.6
68.99570	68.6
69.71724	3.8
71.01389	0.7
75.61433	0.6
98.20627	1.0
110.82185	0.7
112.98562	100.0
113.98902	0.9
140.42284	0.7
141.00488	0.7
208.85640	0.7
259.06805	1.5
319.08908	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	319.0457
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
53.33955	0.5
57.96905	0.6
59.01368	1.6
71.01392	1.2
71.60588	0.8
73.04142	0.6
78.23701	0.6
79.95707	0.9
96.96030	3.2
115.00341	0.6
119.04951	0.9
145.02957	1.3
158.30742	0.6
163.03995	2.3
173.02361	1.1
189.01932	4.3
189.85057	0.6
196.53096	0.7
217.01396	25.3
218.01831	1.3
231.03017	3.4
245.00882	100.0
246.01210	7.2
259.02460	9.0
260.03232	68.5
261.03622	5.2
261.06271	0.9
275.05600	67.5
276.05875	6.2
319.04578	3.2
319.08380	1.7
319.12103	1.5
319.21106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
69.45227	1.0
69.45634	2.0
71.01376	0.5
79.95722	3.0
81.52116	0.5
82.02982	0.6
95.94597	1.1
95.95225	24.8
96.96006	100.0
97.95965	0.6
98.20751	0.4
101.74260	0.4
110.02464	0.6
122.06126	0.7
148.14110	0.5
151.07639	34.7
152.03520	6.0
152.07959	2.3
152.98581	1.4
165.05580	2.7
167.00214	3.3
193.18390	0.5
232.04886	3.3
237.46735	0.4
241.29640	0.4
244.04716	0.8
247.07211	12.9
248.07600	0.9
252.88260	0.4
259.07138	0.6
271.69977	0.5
300.79324	0.5
304.06284	4.4
319.08594	73.7
320.08850	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	319.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63463	0.8
52.75957	0.8
54.54907	1.0
59.01377	100.0
60.01712	1.4
61.98823	1.6
64.13831	0.9
70.26794	0.8
71.01379	7.1
71.59135	1.3
72.90004	0.8
73.02934	1.9
85.02946	2.2
87.00871	1.5
89.02448	1.9
96.96011	3.1
97.87740	1.0
99.00875	1.5
101.02426	4.3
113.02445	1.6
120.99671	1.5
121.02949	1.7
135.83569	0.8
140.07198	2.4
142.79903	0.9
154.08760	1.0
157.05112	1.0
161.04521	4.5
171.10258	2.1
215.09256	2.1
233.10210	1.8
259.08105	3.2
291.76382	1.0
319.13223	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	319.1396
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.55270	0.5
57.03448	1.1
58.00581	1.3
59.01378	35.8
71.01379	18.7
71.01772	0.8
72.99299	1.2
73.02945	2.5
79.18601	0.5
83.01389	1.3
84.02165	0.9
85.02951	4.2
87.00874	1.4
89.02441	13.8
95.01393	1.8
96.96017	2.8
99.00856	0.8
101.02439	13.5
102.66927	0.6
111.08155	18.7
113.02457	5.3
113.17070	0.5
114.77122	0.6
119.03498	5.4
129.38066	0.5
135.20222	0.6
139.07628	5.1
141.09192	0.8
153.09224	1.0
155.07155	0.7
157.08688	58.2
158.09055	3.1
161.04472	0.9
199.09764	1.8
313.47751	0.6
319.13950	100.0
320.14294	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	320.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
63.86810	0.5
71.01332	0.5
76.26485	0.5
78.90668	0.5
85.02943	0.9
96.96000	0.9
98.19823	0.9
107.60995	0.5
119.07424	0.7
123.45375	0.5
134.09749	42.2
135.10112	1.8
161.08467	0.9
175.09991	1.7
189.11632	0.6
190.12355	100.0
191.12694	6.2
214.16068	0.7
232.17021	3.0
267.02185	0.5
276.16016	23.3
277.16379	2.0
302.13968	3.4
320.15002	20.0
320.18793	0.8
321.15317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0823
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
52.28532	1.3
55.01857	2.3
56.81842	1.3
57.03439	4.0
59.01371	13.7
69.03459	7.0
69.21964	10.1
71.01379	13.4
73.02949	15.9
74.99105	1.4
83.01383	1.3
85.02950	29.4
87.00875	100.0
88.01226	1.2
89.02436	5.1
93.03453	1.5
94.68419	1.3
95.01396	5.9
96.95998	10.5
97.02943	37.3
98.03288	1.6
99.00867	4.4
100.04115	1.2
101.02438	2.5
103.04008	12.1
109.02975	1.8
111.00867	1.6
113.02450	10.2
113.99626	1.2
115.00354	7.9
115.04002	2.5
129.01920	2.3
136.99133	2.0
141.01953	11.4
142.32841	1.3
144.06633	1.2
157.01405	8.6
164.89494	1.3
173.04456	2.3
175.02470	49.7
176.02834	1.8
179.61702	1.3
217.03523	18.2
218.03842	1.5
303.03955	1.7
303.07187	6.8
321.08160	10.0
322.08276	1.6
322.11591	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	321.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03444	3.3
59.01374	9.6
68.99807	1.3
69.03455	6.2
71.01381	12.3
71.18624	0.6
71.59473	1.0
72.99311	1.0
73.02944	13.7
79.01920	0.7
81.03439	0.8
83.01369	3.0
85.02948	27.7
87.00871	100.0
88.01214	1.8
89.02402	1.3
93.03445	1.2
95.01374	4.4
96.96008	15.5
97.02947	32.4
98.03320	1.1
99.00872	2.8
101.02417	1.7
102.35579	0.6
103.04005	10.5
108.02189	0.6
109.02953	0.9
111.00854	1.2
113.02422	7.9
115.00366	10.6
115.03997	2.0
125.02435	1.0
129.01950	1.6
135.99046	0.6
141.01930	6.1
142.05081	0.6
147.02972	0.6
151.71170	0.5
157.01421	9.6
164.89452	0.7
175.02461	47.6
176.02815	1.9
179.45432	0.6
199.02548	0.8
217.03505	20.1
218.03854	1.1
231.05070	0.6
303.07184	6.8
321.08136	3.8
322.08215	0.8
322.11426	1.1
333.66238	0.6
338.27905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88248	0.3
59.01378	0.6
70.14251	0.9
70.14641	0.7
73.15006	0.4
79.95731	2.3
87.04508	0.8
96.96004	66.1
97.95963	0.4
98.19952	0.4
113.00594	0.3
113.51891	0.3
120.99657	0.4
123.08122	0.3
135.33392	0.3
136.05316	0.5
151.07639	0.4
153.09178	1.0
167.00169	0.4
169.08665	1.5
179.10782	0.5
180.25092	0.3
221.54681	0.3
321.10092	100.0
322.10428	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	321.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
69.47342	2.7
79.95721	3.3
80.96503	0.7
81.79803	0.3
95.95220	5.7
95.95796	0.5
96.96004	100.0
98.20629	0.7
123.08105	0.7
152.98615	2.4
153.09219	1.4
167.00201	0.7
167.10774	1.7
177.32004	0.4
200.54353	0.3
210.08005	0.4
247.33609	0.4
259.10886	0.8
259.18262	0.3
272.88739	0.4
321.10092	84.8
322.10428	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22782	0.4
59.01365	1.1
70.00336	0.8
71.01370	0.6
74.99097	1.3
79.95730	3.2
80.96514	0.7
88.09606	0.4
95.95215	2.8
96.96004	100.0
99.04630	0.3
105.13020	0.4
122.97580	1.1
136.99130	1.2
152.98627	1.0
153.09189	0.8
167.10760	1.4
174.11333	0.4
198.37521	0.5
228.88243	0.4
303.09143	1.2
321.10098	80.5
322.10449	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59354	0.3
59.01376	100.0
60.01714	0.9
64.48534	0.3
69.35900	2.8
69.89961	0.3
71.01388	2.3
74.99099	0.4
79.95757	0.6
85.02968	0.9
89.02428	3.1
96.96004	2.0
101.02454	1.3
110.37782	0.4
113.02480	1.5
119.03512	1.5
179.05624	0.7
190.18047	0.3
244.33023	0.3
302.16638	0.3
321.10172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
58.00587	1.2
59.01377	42.8
60.01694	0.7
60.33934	0.6
61.46057	0.6
62.55362	0.6
69.70431	3.4
71.01000	1.2
71.01382	17.7
72.99307	1.8
73.02953	1.5
81.05414	0.6
83.01384	0.9
85.02963	4.1
86.12018	0.6
87.00861	1.3
89.02441	14.6
95.01376	1.6
96.96001	3.7
101.02440	12.9
105.65753	0.6
113.02441	6.7
113.09727	23.1
113.10532	1.2
114.10037	0.7
119.03497	5.3
141.09206	5.5
143.03564	0.9
143.10757	1.0
155.10783	2.2
159.10258	57.4
160.10591	2.8
201.11252	1.9
304.52048	0.7
321.15524	100.0
322.15820	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	322.093
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
50.23361	1.0
55.01858	2.3
57.03417	1.3
58.00581	3.7
59.01377	100.0
71.01378	54.2
71.58907	2.7
72.99291	3.5
73.02948	2.0
79.95729	8.9
80.96475	1.3
85.02949	8.8
87.00860	3.3
89.02442	53.8
90.02759	1.6
93.74538	1.3
95.01346	3.7
96.96004	49.2
97.95942	2.0
98.95557	5.3
101.02436	30.1
102.02751	1.1
113.02443	20.2
116.05065	40.7
117.05408	1.4
119.02662	1.5
119.03496	21.2
124.33992	1.2
125.02441	1.5
131.03528	1.2
136.19833	1.0
143.03398	2.4
146.06067	1.6
149.04521	1.9
152.07913	1.2
159.03041	1.7
160.04039	70.8
161.04510	5.5
162.97467	1.3
167.00098	1.3
179.05597	5.8
182.83514	1.2
186.09247	1.2
202.05093	29.6
203.05420	1.3
232.06061	6.6
262.07172	42.9
263.07410	3.7
300.08249	1.3
322.09384	80.8
323.09003	6.0
323.11566	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	322.202
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.50720	0.3
58.02974	2.4
59.01376	0.8
65.26622	0.3
69.79557	0.9
81.03473	0.4
82.76849	0.2
95.05028	0.6
97.06607	0.4
98.20589	0.5
109.06602	0.4
118.11040	0.2
128.10808	7.3
130.08731	100.0
131.08194	0.4
131.09074	3.1
165.12849	0.9
172.09818	0.6
209.38522	0.2
272.82565	0.3
322.20193	36.5
323.20560	3.9
324.77463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04261	0.3
53.18588	0.3
55.31466	0.3
56.31976	0.2
57.17462	0.3
57.93645	0.3
59.01375	1.6
59.24254	0.3
61.36438	0.3
66.31303	0.3
69.72009	0.7
69.72417	1.0
71.01383	0.3
73.57327	0.3
77.62058	0.2
79.35737	0.3
79.95731	2.4
83.79912	0.3
93.69132	0.3
95.95227	2.5
96.96005	100.0
98.20663	0.3
98.95611	0.7
101.02430	0.3
117.45144	0.3
180.96223	0.3
201.96683	0.3
217.58279	0.3
243.97737	0.5
244.96733	0.5
264.98264	1.0
291.08997	0.3
300.97842	0.4
323.11670	92.6
324.11960	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	323.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84220	0.4
58.29958	0.4
59.01377	14.3
70.70968	0.7
70.71318	1.0
71.01381	3.7
72.99311	0.6
74.74760	0.4
74.99099	1.6
79.95727	5.3
80.96500	1.3
82.02971	0.6
85.02937	0.7
87.00873	1.5
89.02470	0.9
94.98054	0.6
95.01402	1.0
96.04585	0.5
96.96007	100.0
98.95596	1.3
101.02429	1.0
101.06068	3.3
111.00861	0.9
113.02435	1.7
119.03561	0.8
120.04510	0.6
122.97573	5.5
125.02428	1.5
134.76384	0.5
136.99124	1.1
138.05606	6.7
139.04015	0.6
141.05602	2.6
147.04466	1.3
148.01744	0.9
148.39000	0.4
149.02484	0.5
150.97061	0.6
153.09212	1.0
161.02403	0.6
161.04573	0.6
162.03221	1.0
165.09178	0.6
175.08009	0.8
175.17844	0.6
180.96252	0.5
183.10245	9.5
184.10631	0.6
185.04532	3.5
187.07866	1.1
189.05434	0.7
191.03470	0.7
191.11067	1.4
192.00641	2.6
193.01379	4.3
198.98270	0.6
200.97939	0.6
201.11348	0.9
201.96733	0.9
204.00661	0.5
205.01390	15.0
206.01947	2.0
207.02979	1.0
214.97688	1.2
217.09027	5.3
221.04636	0.7
223.96205	0.7
235.10075	6.6
243.97726	0.7
244.96724	2.0
263.05615	0.6
263.11404	0.7
264.02832	2.9
264.98224	2.4
265.48218	0.6
279.05096	11.5
279.08350	0.9
280.05569	0.8
284.95468	0.6
300.97415	2.0
305.10648	0.6
323.03949	5.5
323.11649	99.2
324.04422	0.6
324.11963	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	323.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	24.6
60.87720	0.4
65.66842	0.3
69.84893	0.7
69.85232	2.2
71.01379	1.7
73.02984	0.5
79.95744	2.0
82.69842	0.3
85.02937	0.7
89.02444	1.7
95.95221	2.3
96.96006	100.0
98.20012	1.0
101.02444	1.4
113.02427	1.0
114.01598	0.5
119.03516	0.9
201.38199	0.4
263.11252	0.8
323.11642	87.6
324.11975	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20630	0.6
59.01379	100.0
60.01710	0.9
64.81448	0.6
70.04713	2.8
71.01382	4.5
71.05014	0.6
73.02953	0.7
84.24857	0.6
85.02966	1.0
89.02456	4.7
96.96008	4.8
97.01964	0.6
98.20366	1.4
101.02468	3.0
108.00055	0.6
113.02473	1.5
119.03532	2.1
121.24223	0.7
161.04474	3.2
179.05685	1.7
263.11340	1.7
323.11301	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	324.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07930	12.1
59.01383	100.0
61.98796	13.8
66.17394	11.6
82.68285	11.1
83.01311	12.1
132.10464	14.7
137.18109	16.5
212.99144	14.0
223.58716	13.1
254.46449	14.1
264.57169	15.0
324.12183	28.0
325.20139	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	325.0715
Annotation	CCRIS 3210
Peak:m/z	Relative Intensity
53.30384	0.7
59.01374	6.5
71.01353	0.8
172.05368	1.0
183.01117	0.8
184.05234	2.5
197.09637	1.0
211.03978	1.2
213.09207	1.4
223.07573	2.2
225.09163	2.5
227.33406	0.9
239.03490	1.2
241.08710	2.9
242.02171	2.1
250.02695	0.8
251.07175	2.5
253.08675	1.5
256.03668	1.6
261.05365	1.0
265.05011	1.5
265.12909	1.0
267.02994	5.1
268.03571	1.1
269.08136	4.5
270.01517	1.5
278.05539	0.8
279.03046	1.5
279.06610	5.0
281.04514	4.6
281.07593	1.3
282.05304	4.6
284.03049	0.9
292.03717	1.6
295.06064	2.4
296.03293	3.3
296.06876	3.7
297.07632	10.6
306.05356	1.0
307.06122	6.6
309.04056	6.2
310.04730	2.6
311.11377	0.9
325.07144	100.0
325.20245	1.7
326.07404	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95555	1.3
58.99600	15.2
59.01374	14.6
71.01393	1.7
74.99105	2.8
96.95992	3.6
102.98590	100.0
104.54797	1.5
108.02128	1.7
119.04974	1.8
120.99638	14.1
121.06569	4.3
121.85624	1.3
145.02945	5.5
146.03674	4.9
147.04518	9.2
149.46118	1.5
159.13757	1.4
163.00664	5.4
171.36621	1.4
179.01703	24.6
180.02419	4.9
195.04825	47.8
196.05075	1.4
283.09393	1.9
311.08929	2.7
325.09753	1.9
326.11349	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	325.0926
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
56.83011	0.3
59.01387	0.5
69.28465	2.6
70.05589	0.3
71.01385	2.9
73.02943	1.0
78.81719	0.2
83.01411	0.3
85.02953	0.8
91.05535	1.8
98.19829	0.6
99.00893	0.6
101.02444	1.8
101.03960	5.8
113.02450	1.6
117.03468	2.6
119.05023	100.0
120.05361	5.0
131.42978	0.3
157.84402	0.3
161.04549	2.2
163.03998	4.8
164.10190	0.3
168.09883	0.3
215.68687	0.3
325.09274	5.2
326.09613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94455	0.3
58.60814	0.3
59.01376	5.6
69.60742	1.8
71.01375	2.9
71.40981	0.3
72.99294	0.5
73.51141	0.3
81.03465	0.3
83.88778	0.3
85.02940	0.9
89.02441	2.1
91.70219	0.4
95.01374	0.4
96.96007	5.1
98.95546	0.7
101.02438	1.6
109.02952	1.2
113.02457	1.2
113.54312	0.3
117.03458	20.1
118.03789	0.6
119.03510	0.6
119.05013	6.1
119.05824	0.6
125.02414	0.8
133.06596	0.5
145.02942	100.0
146.03264	5.6
151.03992	0.5
154.33575	0.3
159.04521	0.6
161.06087	1.7
163.03992	14.4
164.04326	0.9
169.47357	0.3
180.03542	0.3
187.03975	4.2
188.04533	0.3
203.07133	0.4
205.05043	1.8
206.01366	0.8
235.06114	0.9
245.08226	0.4
265.07132	2.2
289.07162	4.0
290.07468	0.4
298.69501	0.3
325.09308	8.3
325.13208	4.9
326.09531	0.4
326.13315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.62276	0.3
57.03425	0.3
59.01368	1.5
70.87106	0.6
70.87452	0.3
71.01378	5.5
73.02943	1.3
83.01386	0.3
85.02948	1.9
89.02484	0.3
91.05544	0.6
95.01342	0.5
96.96006	1.0
98.95599	1.2
98.96401	0.3
99.00905	0.5
101.02454	3.0
101.03953	5.7
102.04274	0.4
113.02449	2.6
117.03473	2.9
119.05022	100.0
120.05343	4.1
137.02438	0.5
143.03539	0.4
145.02980	0.7
156.04675	0.3
159.02924	0.6
161.04529	3.1
161.34634	0.3
163.03972	0.9
325.09329	1.1
325.12408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
59.01374	7.2
70.06791	1.4
70.07197	1.4
71.01393	3.2
72.99303	1.3
75.00845	0.8
85.02959	1.1
87.00866	0.8
89.02447	1.6
94.11424	0.5
96.96002	5.7
98.09424	0.6
98.19929	0.8
98.95589	6.2
98.96461	1.1
101.02422	1.3
109.02931	0.9
110.83488	0.6
113.02439	0.7
117.03468	18.7
118.03793	0.8
119.05020	65.7
120.05372	2.4
123.04514	1.4
126.79558	0.5
137.02446	0.7
138.81439	0.5
145.02945	100.0
146.03271	4.7
159.04448	0.9
161.06111	1.3
163.03998	59.8
164.04370	2.9
179.03412	0.6
187.03999	2.9
203.07201	0.7
205.05101	1.8
207.02965	0.9
221.08142	1.0
221.48404	0.6
222.05334	1.9
237.07559	0.8
245.08327	0.7
265.07135	1.7
289.07162	4.1
325.09302	6.3
325.13095	5.3
343.67993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59480	0.5
56.43695	0.5
59.01377	100.0
60.01707	0.7
60.35807	0.5
61.98825	1.9
70.17863	2.3
71.01386	4.3
73.02947	1.7
74.41360	0.5
76.44654	0.5
84.64323	0.5
85.02959	2.1
89.02466	1.5
96.96022	0.7
99.00889	0.9
101.02451	5.1
113.02464	2.2
119.05008	1.2
161.04590	5.1
209.38760	0.6
265.12909	12.1
265.15594	0.9
266.13361	1.1
325.14215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	15.9
58.75221	10.8
59.01379	100.0
65.79885	10.5
69.03451	32.2
71.01353	19.8
81.03421	18.1
83.01377	22.3
83.04988	20.6
85.02951	16.5
96.34723	12.8
97.02927	20.1
97.06586	33.4
98.19845	22.1
101.02436	12.1
109.06612	13.2
123.04504	31.9
123.08134	19.0
125.09745	65.9
137.09735	16.1
163.11234	26.5
165.12860	21.0
167.10747	45.1
183.01196	25.8
185.11786	18.4
190.29070	11.2
207.10197	31.7
209.11774	46.6
232.18935	13.1
245.18965	21.3
289.18018	13.8
311.11682	21.0
319.84290	12.0
319.88907	13.3
325.07062	93.0
325.18304	11.9
325.20303	16.8
325.23761	16.8
326.07645	19.7
326.13864	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01384	4.3
63.28712	0.8
66.46638	0.7
69.56400	1.6
69.56819	3.7
79.95766	1.5
80.43458	0.9
84.75340	0.8
89.11488	0.7
119.05028	1.2
131.10335	0.7
149.09717	68.1
150.10056	5.0
163.11282	76.4
164.11632	4.1
170.00536	1.2
183.01193	47.1
184.01955	8.0
197.02774	2.0
216.00984	3.9
277.63513	0.7
295.01874	0.8
311.11710	2.4
317.19537	0.8
325.07315	2.1
325.18353	100.0
325.21771	78.2
325.27499	2.7
326.18698	10.6
326.22128	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	326.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61352	0.2
59.01382	1.1
71.01408	0.4
71.61974	0.3
72.93676	0.3
75.52777	0.3
79.95730	6.4
80.96484	0.4
91.05533	0.5
96.96011	1.1
101.02409	0.3
121.02965	0.4
123.04492	0.4
126.05574	0.4
128.05055	0.4
135.04550	0.4
137.02457	0.3
142.06613	100.0
143.06952	5.7
145.02959	2.5
158.06107	3.5
159.04401	0.3
176.64479	0.3
180.05769	0.7
186.05586	1.8
194.07339	0.6
195.04436	0.5
196.05261	1.3
197.09718	0.4
209.06021	1.1
210.06844	0.9
211.07558	0.5
222.02281	46.8
223.02477	2.5
223.07503	0.4
224.04704	4.4
224.08258	0.7
225.05330	0.7
225.09138	0.7
227.10756	1.0
237.05527	1.1
238.01796	3.9
238.06317	7.2
239.02083	0.4
239.06898	0.7
239.10724	1.1
241.08696	2.4
251.07042	0.4
252.04205	1.2
252.07838	0.8
253.08586	1.1
254.09360	1.7
255.10202	4.3
256.10587	0.6
265.05136	0.7
266.01404	2.0
266.05728	3.3
267.06427	0.5
267.10333	0.7
269.11777	1.8
270.05173	1.7
270.12643	1.5
281.08054	0.4
282.08850	1.3
283.09729	27.2
284.10007	3.0
295.09796	0.7
297.07434	0.3
297.11209	1.3
298.12033	3.1
310.08380	0.7
311.09213	45.4
312.09537	5.0
325.10721	5.0
326.03409	13.0
326.11530	43.9
327.03674	0.8
327.11981	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	326.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16072	0.8
59.01379	19.4
60.01701	1.8
61.01793	2.7
61.98827	100.0
70.43960	3.8
71.01389	6.5
73.02939	3.0
75.68852	0.9
83.11728	0.9
85.02962	1.9
87.00871	12.4
89.02444	5.7
96.96006	1.1
98.95576	2.4
101.02415	4.5
113.02437	2.3
119.03517	1.5
124.00755	1.5
134.04706	1.1
149.02441	9.3
150.03227	7.9
164.04796	3.3
165.05554	11.6
175.02596	1.2
190.82112	1.0
233.67165	0.9
267.10599	1.2
273.29578	1.0
326.11179	6.6
327.09323	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	327.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66119	0.4
59.01346	1.6
67.55251	0.4
68.99795	0.8
69.83913	2.2
79.71243	0.3
79.84451	0.5
84.63829	0.3
85.02885	0.4
87.00837	1.1
96.95992	0.5
101.02409	0.7
104.02631	1.1
105.93885	0.4
120.67130	0.4
128.02669	0.4
132.02165	3.0
133.22118	0.4
139.01003	0.4
143.52618	0.4
144.02121	1.2
148.01625	0.8
156.02167	10.4
157.02454	0.9
157.57584	0.4
160.01660	2.3
164.22005	0.4
172.01622	2.6
173.99532	0.4
184.00130	0.6
184.01648	8.0
188.01089	1.4
200.01137	13.2
201.01387	1.0
204.00479	0.5
212.01129	4.1
216.00575	1.2
226.99844	0.7
228.00610	7.1
232.00034	0.4
240.00616	15.2
240.03058	0.8
241.00938	0.8
242.99345	0.5
254.99297	3.2
256.00082	3.7
282.98801	1.5
283.99606	11.4
284.99939	1.2
294.98605	0.4
297.97852	0.8
310.98413	0.7
311.99084	100.0
312.99454	8.7
327.01431	60.3
327.09250	0.8
327.14182	1.2
327.21637	0.8
328.01810	5.5
328.13007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01472	0.4
59.01367	1.7
66.97915	0.4
68.99808	0.7
69.32442	1.7
69.32869	2.3
71.01373	0.6
79.84492	0.4
83.26775	0.4
96.39054	0.4
96.96008	1.1
100.37730	0.5
104.02685	0.7
116.02700	0.6
128.02670	0.8
132.02232	2.6
132.03024	0.4
144.02144	1.0
144.73024	0.4
148.01675	1.0
156.02170	9.2
157.02470	0.5
160.01688	2.3
161.04797	0.5
166.84851	0.5
171.00887	0.4
172.01616	2.9
176.01115	1.3
184.01645	6.9
185.99510	0.5
188.01120	1.6
197.99585	1.0
200.01138	10.8
201.01604	0.8
212.01161	4.0
216.00665	1.0
226.99672	0.7
228.00648	5.9
229.01093	0.7
240.00615	15.1
241.01054	1.0
241.98563	0.6
242.99292	0.8
254.99300	2.0
256.00113	3.2
258.98813	0.6
269.98019	5.3
282.98828	2.2
283.99591	10.4
285.00201	2.4
297.97513	6.4
310.98337	0.8
311.99103	100.0
312.95938	0.7
312.99670	15.6
327.01437	60.2
327.18100	1.0
327.21884	2.0
328.02026	12.0
328.15353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0867
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.49981	0.4
55.90117	0.4
57.65604	0.4
58.77177	0.4
59.01389	2.3
64.61050	0.4
67.40334	0.4
71.01369	1.5
71.60160	0.6
73.02933	0.8
84.26153	0.4
85.02938	0.6
87.00878	1.8
89.02441	0.9
89.78471	0.4
93.03455	27.1
94.03780	1.1
96.99311	7.0
101.02452	0.7
108.02177	0.5
110.04047	0.4
116.17247	0.4
117.03460	1.8
119.05020	24.6
121.02972	0.6
123.04517	2.1
130.04208	2.0
131.05029	8.2
133.02959	5.0
135.04497	0.6
137.02419	0.7
143.05026	23.8
144.05331	1.2
145.02953	3.4
145.06578	1.3
147.04486	0.9
159.04463	1.0
163.03989	12.8
166.06305	1.1
167.08951	0.6
171.04512	3.0
175.04057	0.5
181.08711	1.0
211.07625	7.5
219.08116	1.0
221.06142	0.8
221.09753	2.2
222.06839	0.6
223.07599	1.2
235.07657	4.9
237.09198	7.1
237.11548	0.6
239.10728	0.5
242.78061	0.4
247.07658	0.6
263.07101	0.7
264.07816	0.7
265.08661	23.1
266.09061	2.4
269.97836	0.5
283.09753	1.6
297.97476	1.2
309.07736	4.9
310.07925	0.6
312.99820	1.1
327.08701	100.0
327.14157	3.8
328.02463	0.8
328.09024	11.1
328.15103	0.7
332.70670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0932
Annotation	Masuda's compound V
Peak:m/z	Relative Intensity
55.01874	0.8
58.00580	0.9
59.01376	40.4
60.01692	0.7
70.90795	1.3
71.01378	23.4
72.99298	1.2
73.02943	15.4
83.01369	0.7
85.02943	3.5
85.83150	0.6
87.00871	71.1
88.01195	1.7
89.02442	19.6
91.18503	0.6
95.01384	1.3
98.19916	0.5
99.00865	1.4
101.02438	13.0
103.04005	1.0
105.01928	2.0
113.02454	6.8
119.03497	9.3
131.03519	0.9
135.68410	0.5
147.03036	0.7
160.98167	0.5
161.04501	0.7
179.05553	1.1
179.71947	0.5
209.59459	0.5
267.07257	2.4
309.08325	1.5
327.09296	100.0
328.09531	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.5
59.01374	41.1
61.94511	0.9
69.81502	4.0
71.01380	25.9
72.99296	2.1
73.02943	17.4
75.00880	2.3
83.01419	1.1
83.62887	0.9
85.02940	3.5
87.00871	69.5
88.01228	1.7
89.02437	22.6
98.20595	1.9
99.00866	1.2
101.02446	12.6
105.01943	2.5
108.02151	1.0
113.02435	7.1
117.01926	1.0
119.03479	9.4
121.71290	0.9
122.46823	0.8
135.03036	6.1
143.03586	1.0
149.04521	0.8
161.04536	1.6
175.02467	0.9
179.05641	2.6
185.54344	0.9
219.20518	0.9
255.85179	0.9
267.07272	2.8
309.08356	2.0
327.09302	100.0
328.09546	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.44897	0.8
58.00581	1.5
59.01376	38.3
59.71607	0.9
69.43456	5.5
70.74516	0.8
71.01376	19.2
72.99309	4.5
73.02941	1.2
77.13860	0.8
83.01381	1.0
85.02933	3.8
85.87292	0.7
89.02440	17.8
92.07209	0.9
95.01419	1.3
98.19888	1.3
101.02423	10.5
103.05537	4.1
113.02419	7.1
119.03493	8.7
119.04976	4.6
127.14230	0.9
147.04520	100.0
148.04840	4.3
164.50189	0.9
165.05544	13.0
298.72739	1.1
327.10825	69.9
328.11185	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	327.1083
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00591	1.6
59.01374	39.9
60.01728	0.8
69.66789	0.6
69.76489	3.8
71.01376	18.6
71.92428	0.8
72.99313	2.7
74.63874	0.7
83.01392	1.4
85.02923	4.5
87.00885	1.2
89.02438	18.3
95.01376	1.2
101.02433	12.3
103.05525	4.5
113.02456	6.7
119.03500	7.5
119.04996	4.1
147.04510	100.0
148.04861	5.9
151.92632	0.7
165.05563	13.1
166.05803	1.0
179.05608	1.7
187.25177	0.8
194.22720	0.8
202.83119	0.7
327.10825	71.6
328.11197	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	327.1081
Annotation	Androsin
Peak:m/z	Relative Intensity
55.66925	1.6
56.98026	2.1
57.03433	4.7
58.00586	2.6
58.99598	1.5
59.01378	50.4
61.98829	1.7
70.44704	3.7
70.45059	3.2
71.01383	27.9
72.99300	7.7
73.02935	3.0
74.99100	1.6
75.00859	2.7
83.05012	1.7
85.02950	15.7
87.00866	13.2
89.02438	22.8
95.01389	3.0
96.95992	5.1
98.20594	2.3
98.95594	2.3
101.02435	16.1
103.05500	2.5
109.04044	2.7
113.02429	8.1
115.04043	1.7
119.03494	9.1
119.04992	7.1
121.02895	2.6
123.04529	1.9
137.02385	1.8
145.02907	3.5
147.04515	100.0
148.04868	3.7
149.02469	1.6
162.05463	1.6
164.04683	1.8
165.05563	19.0
168.74300	1.6
239.10352	1.9
239.12767	1.5
265.10776	1.7
293.89835	1.5
327.10931	71.3
327.14249	3.4
328.11261	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	327.1082
Annotation	Androsin
Peak:m/z	Relative Intensity
51.13324	0.2
54.76995	0.2
55.53006	0.2
57.03436	0.3
59.01376	3.7
61.98829	1.8
69.97584	0.5
69.97951	0.9
71.01381	3.4
72.99329	0.3
73.02953	1.4
73.29913	0.2
75.00860	0.4
77.03955	0.6
81.03439	0.2
83.01390	0.2
85.02950	1.2
87.00879	7.2
89.02439	0.9
93.03455	0.8
95.01376	0.9
95.05027	0.6
96.43428	0.2
96.96951	0.5
99.00873	0.6
101.02446	2.2
113.02441	1.8
115.03943	0.2
119.03504	0.5
121.02950	9.5
122.03714	1.0
123.04506	0.6
125.02431	0.5
135.04527	0.3
141.47917	0.2
149.02432	73.4
150.03217	71.2
151.03537	3.2
159.02927	0.2
161.04546	0.8
163.03954	0.7
164.04784	27.9
165.05554	100.0
166.05894	5.5
198.41963	0.2
205.03537	0.6
207.06583	1.4
207.08261	0.2
250.44366	0.3
327.09219	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	327.2172
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03430	6.1
59.01369	12.2
60.39066	2.7
71.60250	4.5
83.05017	6.6
97.06586	18.5
123.08160	8.3
125.09715	100.0
126.10041	8.0
127.11256	4.0
139.11247	3.4
153.09248	3.4
157.08673	3.2
160.36404	3.3
161.04730	4.9
171.10254	84.9
172.10623	4.8
173.11801	51.1
174.12161	4.4
211.13573	4.1
223.27704	3.1
255.86557	3.7
267.10971	4.2
294.08667	4.2
312.99918	4.7
327.21735	86.7
327.25073	3.9
328.15573	5.0
328.22089	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03426	2.0
59.01372	1.4
69.03444	1.7
69.22220	2.4
69.22646	3.6
70.52114	0.7
71.01347	1.1
71.98286	0.5
75.29933	0.5
85.02940	6.3
95.05032	1.0
97.02944	0.6
97.06594	5.1
98.20636	1.4
125.09705	1.5
127.11279	2.2
129.60594	0.5
137.09720	1.9
155.10779	0.7
155.14395	0.9
167.14439	0.7
171.10272	13.6
177.12903	1.1
183.13899	3.9
185.11804	1.5
185.99493	0.6
193.12398	1.8
195.33655	0.5
197.11819	0.9
209.11792	2.3
211.13374	22.1
212.13702	1.7
221.11839	3.0
229.14424	12.9
230.14609	1.0
239.12805	2.3
241.98584	0.6
266.61353	0.7
269.98038	7.4
272.37576	0.6
285.00348	1.3
291.19696	3.7
297.97507	9.4
303.97885	0.5
309.20584	1.2
311.99002	1.2
312.99869	12.7
327.01385	1.3
327.21741	100.0
328.02258	10.6
328.05725	0.4
328.22043	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2538
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01377	0.6
70.86892	0.8
98.20721	0.5
117.05038	0.4
127.06513	0.4
138.03735	0.4
138.88078	0.4
161.04839	0.4
162.05597	0.4
199.02382	0.4
237.22308	0.4
252.78384	0.4
263.23727	1.0
265.25333	69.6
266.25659	7.3
283.26392	2.0
296.23038	0.4
309.24310	21.9
310.24606	2.8
327.25366	100.0
328.15417	0.5
328.25735	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	329.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26431	0.6
52.01103	0.6
59.01373	43.1
61.54652	0.6
61.98818	3.4
69.38798	5.0
70.61691	0.6
71.77071	0.7
84.95135	1.1
98.19912	1.6
115.02501	2.6
117.00427	4.1
125.00901	1.1
126.98871	1.4
141.89655	1.4
143.01990	4.0
157.03557	1.1
159.01482	66.1
160.01581	5.5
168.99881	3.7
170.97861	2.2
185.88654	2.0
186.86368	3.2
187.00963	100.0
187.88313	0.9
188.00499	14.4
193.50928	0.7
201.02533	15.4
202.02647	1.9
226.68452	0.7
274.99225	1.0
276.96780	0.8
287.01166	1.1
311.01193	1.2
329.02222	4.5
330.02002	1.1
346.97198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0299
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.36208	0.1
62.04684	0.1
70.60689	0.4
103.01955	0.1
110.10728	0.1
147.00790	0.1
171.00856	0.4
187.00366	0.7
199.00346	0.6
200.01064	0.3
213.01981	0.2
214.99831	1.8
216.00060	0.2
226.99818	0.4
242.02100	0.2
242.99312	10.3
243.99687	0.9
258.01633	0.5
270.98813	86.0
271.99152	7.0
282.98615	0.2
283.99518	1.1
285.00354	2.2
286.01062	1.4
297.00290	0.2
298.98294	92.4
299.98648	9.1
312.99860	3.6
314.00653	100.0
315.00983	9.0
329.02994	75.8
330.03336	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	329.03
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
58.60722	0.1
60.24734	0.1
61.24411	0.1
69.48022	0.6
69.48450	0.3
86.01651	0.1
98.19923	0.3
103.76965	0.1
130.00594	0.4
131.00948	0.3
146.00043	0.2
158.00090	0.2
158.03705	0.2
159.00423	0.2
171.00749	0.2
173.02333	0.2
174.03191	0.8
174.99937	0.2
175.02031	0.1
184.01634	0.2
185.02362	0.4
185.99539	0.3
186.03192	0.4
186.99997	0.6
197.02353	0.2
197.99564	0.6
198.99861	1.2
200.01204	0.6
201.01913	0.3
202.02731	1.0
212.01111	0.2
213.01921	0.6
213.99022	0.2
214.02544	0.5
214.99550	0.9
225.51500	0.1
226.99751	0.2
228.00572	0.5
229.01315	0.4
230.02029	0.4
240.00526	0.2
241.01392	0.5
241.98663	0.2
242.02139	0.4
242.99226	3.8
243.99519	0.2
254.99280	0.6
255.99727	0.8
257.00858	0.6
258.01605	3.6
259.01974	0.3
268.00201	0.2
269.00867	0.3
269.98080	2.2
270.01050	0.2
270.56036	0.1
270.98737	44.9
271.99036	3.2
282.98898	0.7
283.99585	5.0
285.00381	15.5
286.00986	10.3
287.01373	0.7
297.00317	1.1
297.97516	1.5
298.00632	0.3
298.98206	57.1
299.98553	4.4
310.98346	0.9
312.99872	32.3
314.00504	58.8
315.00815	5.2
328.01810	0.2
329.02924	100.0
330.03253	8.9
345.98578	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.33273	0.5
57.03441	0.5
59.01379	2.8
61.98845	0.5
69.71104	2.6
71.01380	11.2
73.02936	3.0
83.01379	0.9
85.02945	3.8
87.00884	1.3
89.02438	1.7
95.01390	1.1
97.02979	0.7
99.00877	2.0
99.04496	0.6
101.02428	5.7
108.02165	2.1
109.02961	3.0
113.02435	6.0
115.94852	0.4
121.02944	2.4
122.03731	100.0
123.00893	0.6
123.04578	14.1
124.04037	0.5
124.04845	0.6
125.02442	0.5
135.04510	1.1
137.02444	2.0
137.06075	1.6
143.03477	0.9
147.04495	1.5
148.05374	0.5
150.05569	1.7
152.01109	0.7
159.02948	2.5
161.04553	11.4
162.04797	0.4
165.05562	5.8
167.03477	2.2
177.05525	2.5
285.09851	2.1
312.10825	1.3
329.08884	5.4
330.12198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.83114	0.5
55.99484	0.3
59.01377	1.7
65.05991	0.4
69.25365	2.5
69.25778	1.0
71.01390	1.2
73.02905	0.4
83.01357	0.4
85.02980	0.6
89.02444	0.6
101.02425	0.7
108.02171	53.5
109.02478	1.0
113.02495	0.6
122.03744	0.7
123.04521	23.3
124.04831	0.6
125.02370	0.6
139.01749	0.4
145.65189	0.4
152.01146	36.6
153.01511	1.3
155.64108	0.4
158.07347	0.4
167.03485	100.0
168.03798	4.4
169.01489	0.5
181.40334	0.4
207.67743	0.4
329.08533	1.3
342.40817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.31355	1.1
58.00588	2.8
59.01376	78.3
61.98840	1.7
65.26378	1.4
67.01907	1.8
69.45663	9.9
71.01001	2.7
71.01380	39.3
72.99295	5.1
73.02933	2.6
78.44878	1.2
83.01356	3.2
84.51067	1.1
85.02940	10.4
87.00866	3.9
89.01929	2.3
89.02441	34.1
91.01900	1.9
95.01407	6.1
96.95981	2.5
99.00829	1.5
101.02427	20.2
107.01347	1.3
108.02174	4.4
109.02946	2.9
109.41416	1.3
111.00882	2.0
113.02452	15.7
118.98064	1.3
119.03484	14.3
123.00869	4.8
123.04517	21.8
124.01663	8.5
125.02438	4.7
137.02438	4.3
138.03198	1.9
138.05611	1.8
139.04004	2.9
143.03455	1.3
150.03175	1.7
150.05614	1.3
151.00327	3.1
152.01158	12.7
153.05534	2.2
164.01053	1.3
165.01971	1.7
166.02679	5.8
166.99796	3.0
167.03477	75.0
167.07098	2.7
168.00639	7.0
168.03786	1.9
179.03448	2.1
179.05545	2.3
181.05043	10.7
182.02090	2.2
183.02939	13.2
183.06509	1.8
194.02187	1.5
197.04544	7.7
205.00790	2.6
209.04533	39.8
210.04993	1.6
239.05576	6.8
269.06717	6.9
293.12375	12.6
314.06439	2.3
329.08743	100.0
330.09021	7.7
330.18835	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.3
63.96233	1.1
70.06055	3.5
71.01379	7.5
71.05091	0.7
72.99307	2.2
73.02941	1.8
74.99096	2.7
79.95743	2.3
80.96548	0.8
83.01395	1.0
83.05015	0.7
85.02956	3.4
86.59702	0.8
87.00877	1.3
89.02449	1.1
96.96022	3.0
99.00930	0.7
101.02430	4.8
101.80979	0.6
113.02475	3.0
115.99858	0.8
120.40132	0.6
121.02988	2.0
123.04543	2.0
125.02464	2.0
135.98343	4.3
136.99008	0.9
149.61761	0.7
151.00406	0.8
160.01689	1.7
160.05322	1.0
161.04559	4.2
166.02806	0.9
167.03484	17.0
167.07123	2.4
168.03918	0.7
175.04005	1.2
192.99678	1.7
196.65169	0.7
204.04269	24.1
205.04692	1.5
209.02751	1.8
219.06616	17.9
220.06970	1.1
241.05319	4.1
249.07666	11.8
249.09944	1.1
250.08131	1.1
269.10367	5.7
285.12836	0.9
329.03314	20.7
329.08698	2.0
329.12094	4.4
330.03717	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	329.138
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.92175	0.1
59.01373	0.3
59.38483	0.1
60.72325	0.1
66.80318	0.1
69.29475	1.0
82.84640	0.1
85.06645	0.1
86.67320	0.1
91.11559	0.1
93.03465	1.4
96.96010	0.4
99.24757	0.1
107.05009	0.2
108.02196	0.1
109.02962	1.8
119.05026	0.5
121.02952	26.0
122.03239	0.9
122.71394	0.1
123.04518	0.4
131.05048	0.1
133.02983	0.3
134.03717	0.1
135.04523	3.3
137.02394	0.3
145.02939	0.4
146.03714	0.2
147.04515	9.3
148.04881	0.3
149.02446	0.2
149.06075	0.1
158.03709	0.2
159.04507	3.1
160.05096	0.3
161.02475	0.1
161.06076	0.2
162.06946	0.1
167.07091	0.5
168.05849	0.2
171.04549	0.3
172.05275	0.2
174.03174	0.1
175.07616	0.3
177.05583	0.3
182.07349	0.3
183.04478	0.3
184.05179	0.3
185.06017	0.2
187.03918	0.1
191.07208	0.3
192.07925	1.6
193.08443	0.1
195.04442	0.2
195.08138	0.3
196.05258	1.1
197.05977	0.5
197.09752	0.4
198.06834	0.3
199.04039	0.2
199.07661	0.3
199.11325	0.2
207.08234	0.1
208.05266	0.3
209.06015	0.6
210.06834	0.8
211.03998	1.3
211.07605	0.4
212.04762	4.5
213.05254	0.4
213.09193	0.7
215.07195	0.1
222.06857	0.9
223.04108	0.2
223.07590	1.6
224.04712	0.3
224.06931	0.7
225.05539	1.4
225.09106	0.8
226.06300	1.8
227.06985	0.3
227.10774	0.8
229.08647	0.5
235.07472	0.3
236.04893	0.2
237.05553	0.9
238.06358	0.6
239.03427	0.5
239.07108	0.5
240.04269	5.0
240.07788	0.6
241.04767	0.5
241.08708	2.8
242.00406	0.1
242.09189	0.2
243.06590	0.2
243.10260	1.8
244.10435	0.2
249.05611	0.3
250.06340	0.7
251.07098	2.1
252.07874	0.7
253.05116	1.1
253.08673	3.0
254.05835	7.2
254.09201	0.3
255.06378	1.0
255.10237	1.7
256.07388	0.4
256.10413	0.2
256.86511	0.1
257.08331	0.3
263.07129	1.1
264.07712	0.2
265.08682	0.8
266.05838	0.1
267.06528	0.7
268.07343	1.3
269.08173	65.5
270.08545	6.8
270.98669	0.1
271.09738	7.7
272.10153	0.7
281.08179	10.8
282.08734	1.6
283.09738	3.8
284.10110	0.6
285.11203	0.2
286.04852	1.6
287.05154	0.2
295.09750	0.2
296.10574	0.2
297.07745	0.4
297.10938	0.1
298.08478	1.1
298.11832	0.2
299.09216	48.7
300.09558	5.0
313.10764	1.7
314.11569	58.9
315.11914	6.2
329.13913	100.0
330.14255	11.5
330.18546	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1967
Annotation	oscr#17
Peak:m/z	Relative Intensity
57.03441	5.3
59.01376	7.5
64.76410	0.6
69.49986	4.5
71.01401	0.6
72.33431	0.5
72.97141	0.6
73.06909	0.5
80.02649	0.6
83.05019	4.4
90.96831	0.6
95.05013	0.6
96.95999	0.9
97.06587	11.7
101.57738	0.6
109.06587	1.3
111.08154	20.6
112.08498	1.2
113.09746	2.1
121.02914	0.7
123.08144	5.9
125.09717	80.8
126.10038	4.3
127.11237	0.9
139.11377	1.3
141.09196	2.4
143.10738	1.3
155.07144	0.7
155.65984	0.6
159.10255	26.4
160.10579	1.2
169.08656	1.3
171.10202	0.8
173.08134	3.6
173.11812	7.8
174.12132	0.8
187.09731	17.7
188.10109	0.9
201.11429	1.0
257.21158	2.8
267.19601	6.5
270.98819	1.2
281.83273	0.7
311.18729	8.6
314.00702	1.3
329.02896	1.4
329.19666	100.0
329.23068	5.0
330.20016	9.9
330.23596	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	329.2329
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
54.11910	0.4
57.03443	1.5
59.01374	3.7
63.77173	0.4
69.03452	0.6
71.05038	0.5
72.31336	0.4
83.05010	0.8
91.61687	0.4
97.06531	0.6
99.08153	5.3
103.49934	0.4
123.52998	0.5
125.09701	1.7
127.11271	3.8
139.11285	5.0
155.10774	0.7
155.14417	0.9
165.12874	0.5
167.14355	1.9
171.10263	13.4
172.10594	0.6
173.10635	0.4
183.13872	6.4
193.12248	2.2
201.11375	0.5
207.17491	0.8
209.11775	1.5
211.13379	34.0
212.13667	2.3
219.72501	0.7
226.23076	0.5
229.14412	16.0
230.14816	1.4
251.16312	0.5
269.17618	1.6
270.98718	2.1
293.21219	1.0
298.98178	2.3
311.22183	0.9
314.00476	2.8
315.00745	0.6
329.03030	3.3
329.23303	100.0
330.23669	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.44918	1.5
57.03432	4.8
59.01372	19.7
62.34360	1.5
65.71288	1.3
71.01361	2.0
78.27785	1.3
85.66013	1.5
96.96022	3.9
97.06585	15.7
98.19769	3.4
106.13896	1.4
106.31615	1.6
109.68007	1.6
113.77473	1.4
123.08181	9.7
125.09721	86.8
126.10053	3.5
127.11303	4.1
139.11235	2.9
155.10762	3.8
159.39915	1.5
170.88290	2.2
173.11819	100.0
174.12177	6.6
183.35931	1.4
187.09810	1.6
213.57869	1.9
220.14700	2.4
221.15565	2.0
229.01445	1.7
244.33704	1.8
270.98813	1.8
298.98273	3.6
314.00381	2.9
314.04120	1.7
329.02942	3.8
329.23306	98.2
330.23486	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	331.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90078	0.9
59.01101	1.7
59.01376	21.1
64.65890	0.9
67.01875	1.4
69.03450	1.3
70.71297	2.4
70.71638	1.2
71.01381	9.5
72.99313	1.2
83.01387	2.4
85.02927	3.0
89.02431	7.0
95.01370	2.5
101.02426	4.7
107.01369	3.8
111.00872	1.3
113.02447	3.7
119.03493	2.4
123.00881	14.4
124.01632	2.8
125.02440	33.6
133.05054	1.0
139.00328	5.0
141.01956	1.6
151.00352	20.3
152.00673	1.3
153.01939	1.2
167.03508	1.1
168.00604	6.7
169.01408	56.4
170.01732	1.8
175.00368	1.4
211.02449	13.1
212.02869	1.3
271.01852	1.2
271.04398	7.0
331.06650	100.0
332.06970	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	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01102	2.0
59.01376	26.9
65.00316	1.4
71.01375	11.9
71.16209	2.3
79.01856	1.1
83.01377	1.7
85.02953	2.2
89.02438	11.4
90.15369	0.9
92.89147	1.1
95.01385	2.1
101.02432	6.4
107.01357	4.5
108.02160	4.4
109.02955	1.2
110.02451	1.4
111.00921	1.0
113.02428	3.5
113.37416	1.0
119.03466	2.1
123.00877	18.5
123.16903	1.0
124.01646	1.5
125.02441	34.9
133.05064	3.1
139.00356	4.3
141.01952	1.7
151.00351	24.6
153.01958	1.5
161.04523	2.2
167.03470	1.1
168.00592	6.7
169.01413	63.4
170.01788	2.0
193.01353	1.7
211.02458	13.9
271.04587	9.9
303.38467	1.1
331.06653	100.0
332.07047	9.9
353.01920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
58.09083	0.3
59.01368	0.4
67.96654	0.3
70.94999	0.7
71.01381	1.9
80.28520	0.4
82.00600	0.8
85.02946	2.3
89.02468	0.4
101.02437	1.0
110.00100	6.7
113.02455	2.8
117.06825	0.3
123.00902	0.8
124.01676	0.7
125.02446	6.6
134.17549	0.4
136.01685	0.6
137.02379	0.4
137.99576	8.9
139.00394	2.3
140.01122	0.8
149.02493	0.5
150.03185	0.5
151.00368	0.9
152.01167	3.5
153.01927	100.0
154.02472	4.6
155.03488	2.9
161.04561	1.2
166.02748	0.7
167.03490	11.4
168.04266	56.7
169.01372	0.8
169.05020	9.7
175.67067	0.4
176.97093	0.3
179.03470	1.2
181.05051	0.6
191.03564	0.7
194.02045	0.4
195.88712	0.3
196.03783	0.6
209.04529	1.3
211.06053	0.6
226.93748	0.4
236.68896	0.3
280.36316	0.4
299.07562	0.6
331.06683	0.7
331.10300	5.2
332.10602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
55.80340	0.6
57.03455	0.8
57.04737	0.5
59.01389	3.5
67.01903	0.5
68.99791	0.5
69.03461	1.0
70.08775	1.4
71.01376	9.0
73.02946	2.4
73.84964	0.5
78.84980	0.5
83.01387	2.2
85.02949	3.9
87.00896	0.7
89.02419	0.9
95.01380	1.0
96.96007	1.7
97.02987	0.7
99.00874	0.9
101.02427	4.0
107.01429	0.8
111.00880	10.2
113.02455	4.5
119.03492	0.6
120.99630	0.6
123.04472	0.9
124.01645	1.5
125.02441	20.5
126.02788	1.2
130.99333	0.9
137.02414	1.0
139.00368	91.7
140.00725	2.6
151.00351	5.4
151.05925	0.6
152.07097	3.2
153.01884	4.4
154.02711	100.0
155.03026	3.4
158.98799	0.8
159.03030	0.9
161.04562	3.0
167.03481	1.2
168.00661	2.8
168.04367	0.5
169.01419	25.7
169.05055	89.7
170.01709	0.7
170.05376	4.1
170.62816	0.5
174.01596	0.9
174.98277	3.8
183.02991	0.9
199.56522	0.5
200.99820	0.9
206.96707	0.9
211.02403	1.3
214.97682	0.8
228.99136	0.5
230.96948	0.6
241.00281	1.1
244.96698	1.3
264.98370	1.6
271.04568	1.2
276.97433	0.6
290.99368	4.8
293.12363	1.1
300.97635	1.3
304.96790	1.0
322.96982	2.8
331.06686	18.2
332.06982	2.2
344.96118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2486
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
51.15734	0.3
55.24946	0.3
58.00615	0.4
59.01360	1.2
64.51709	0.3
71.13677	0.8
71.67323	0.3
73.02945	0.3
74.13268	0.3
74.36556	0.3
75.48724	0.3
83.71227	0.3
86.62328	0.3
89.91666	0.3
125.09692	1.3
127.11280	6.0
129.76511	0.3
143.10757	1.3
151.06944	0.3
155.10756	1.9
157.12328	4.5
171.10248	2.4
187.13391	0.7
198.98158	0.3
201.11334	1.2
238.07881	0.3
249.21829	0.3
270.07095	0.3
285.24454	0.5
295.22763	1.3
311.22229	1.0
313.23831	7.8
314.24179	0.9
329.23312	4.2
330.23300	0.5
331.24866	100.0
332.25220	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	333.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	28.7
61.98822	10.7
69.46534	28.5
69.46947	9.5
71.01377	15.0
72.99302	6.3
85.02969	10.0
89.02416	11.6
93.03416	5.5
96.96011	49.3
99.00860	5.6
101.02410	9.1
104.43699	5.0
113.02496	7.1
120.99599	8.0
135.02966	17.4
135.04517	100.0
136.37503	5.2
145.01172	4.8
152.07152	14.9
153.05551	7.1
153.07455	8.3
161.04552	6.3
174.98283	26.5
175.98587	6.5
191.07133	9.4
200.99847	5.2
224.07964	5.2
234.98277	7.5
245.13034	6.7
271.10873	6.6
279.96576	5.6
289.11819	8.8
290.99323	17.9
291.99625	11.4
301.47827	6.9
323.47092	7.6
333.02795	5.7
333.06570	16.6
333.11029	13.9
333.15320	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87347	1.9
59.01371	32.3
71.01372	17.0
71.61459	2.5
71.61860	3.3
72.99287	2.6
79.95728	7.2
80.96496	3.8
85.02927	4.8
89.02446	17.3
92.05032	6.5
96.96002	27.1
101.02451	11.1
103.04256	3.2
104.05049	6.8
113.02448	8.1
118.02956	5.2
119.03487	7.8
122.06128	18.9
138.05612	15.0
140.07179	12.5
148.04027	3.5
152.03621	2.4
153.09212	14.6
158.06059	3.4
166.05075	10.6
167.05867	3.9
168.06639	3.4
168.08037	3.0
169.08960	3.9
172.11354	11.4
184.11284	15.4
186.09309	2.6
187.06357	2.4
188.10768	4.5
200.07054	3.6
202.12311	7.4
209.91539	2.2
212.05840	6.1
213.10457	2.4
214.08722	2.8
215.09572	4.9
216.10291	13.2
217.07391	35.7
218.07698	2.7
224.05832	2.2
225.06526	3.4
225.10371	2.3
226.07394	3.4
227.08052	3.4
231.08911	18.4
237.09122	2.3
241.09796	23.7
242.06937	2.9
243.11302	4.2
246.11324	88.1
247.11696	4.1
253.09756	14.7
255.07706	2.6
259.10849	14.4
270.10254	2.3
271.10852	100.0
272.08713	2.4
272.11179	8.5
289.05350	3.6
289.11890	19.5
290.10117	2.8
302.99197	3.0
315.09698	7.0
333.04633	14.4
333.10715	77.8
333.14349	3.5
333.56168	4.3
334.11032	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04296	0.7
59.01384	4.2
61.98573	0.7
61.98832	7.7
65.99206	0.7
65.99843	1.2
66.03471	1.9
69.47088	2.4
69.47507	2.8
71.01378	3.1
73.02927	1.1
85.02921	0.8
86.02460	0.9
89.02447	0.9
94.02975	1.4
95.05008	1.0
96.04547	2.6
96.95994	2.4
97.02946	1.6
97.06577	0.9
98.19931	1.5
101.02430	1.3
101.06042	0.9
104.05040	1.9
106.04158	0.7
113.02406	0.8
120.04533	2.4
122.06119	11.9
123.06429	0.9
138.05621	3.6
148.04053	4.2
150.05569	1.2
153.65300	0.6
160.03983	0.8
161.04701	1.9
162.05617	1.7
166.05087	1.8
173.25623	0.8
175.05141	1.6
185.09721	1.1
185.55646	0.7
187.06305	0.8
198.05666	0.9
199.06326	2.2
200.07195	0.8
200.10791	1.3
202.08720	14.2
202.12242	1.0
203.04643	1.5
212.07164	1.8
213.08194	3.6
214.07507	0.8
217.09744	0.7
219.11194	1.1
226.08780	1.0
227.04559	1.6
227.08255	1.2
228.10294	21.6
229.10278	2.6
241.06145	5.9
242.06915	5.6
243.07487	1.1
243.11349	2.7
245.12924	1.0
254.08139	0.8
255.07755	3.1
256.08505	16.1
257.08972	1.2
271.10861	100.0
272.11139	7.6
289.11902	5.5
290.12415	1.0
297.08752	13.0
298.09164	0.9
315.09854	21.7
316.10190	1.5
333.06198	1.1
333.10822	14.2
333.15396	1.5
333.19186	2.5
334.11609	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	335.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08509	2.1
55.01864	8.9
59.01378	46.6
70.64206	4.8
70.64557	4.1
71.01376	45.1
72.99307	3.4
73.02924	3.7
75.00895	2.6
81.93306	2.1
83.01382	83.4
84.01699	3.4
85.02936	9.9
87.00871	4.4
89.02434	28.3
95.01346	3.5
96.96002	7.5
99.00883	22.1
100.98776	2.7
101.02438	20.7
111.00878	14.8
113.02451	13.7
119.03494	11.6
120.99619	2.2
123.04527	2.3
124.98829	5.4
127.00364	100.0
128.00630	2.8
129.01932	16.4
135.04518	2.7
135.52357	2.2
137.02357	2.7
143.03462	2.8
145.01302	3.4
154.99808	3.3
155.07101	3.2
157.01396	2.7
171.89230	2.2
173.00908	6.1
179.05566	6.0
179.94142	2.2
181.04997	3.2
273.12286	3.6
335.08029	3.6
335.13293	15.4
347.48624	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	335.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
61.98814	1.0
69.35740	2.5
69.36165	2.9
72.99307	14.3
72.99703	0.6
85.02927	1.3
87.00841	1.1
97.06577	1.6
100.65000	0.6
109.02934	1.3
121.02943	2.1
122.03773	1.0
123.04524	1.0
133.03020	0.7
134.03651	3.2
136.28239	0.7
137.02437	2.3
139.04062	0.9
146.03708	3.8
147.04420	0.8
158.03705	2.0
159.04488	7.2
159.08174	1.6
163.07547	0.8
164.98593	1.1
172.05270	12.7
173.06064	17.2
174.03264	1.0
174.06828	8.3
175.04034	1.2
175.07625	11.1
176.04799	1.5
178.02696	5.2
183.04498	1.6
184.05319	1.4
185.09755	0.8
186.06802	0.9
187.04134	5.8
187.07632	100.0
188.04465	1.1
188.08023	6.9
197.06094	1.4
198.06903	1.6
201.05577	8.6
201.09187	1.5
202.06340	22.7
202.09961	4.7
203.06828	2.3
203.10785	6.2
204.04256	1.3
204.07806	0.7
205.08813	1.3
213.09198	15.1
214.09448	1.0
215.07130	3.7
216.04228	1.0
216.07849	3.1
219.10225	3.7
229.08636	1.0
231.10237	59.4
232.10597	4.5
246.05307	1.2
257.08112	1.3
273.11404	1.0
275.09253	12.4
276.09656	1.3
291.10809	0.7
293.10272	13.4
294.10648	1.6
335.11603	1.2
335.17279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37033	0.3
59.01377	6.0
65.26518	0.3
69.91293	1.4
71.01373	1.1
71.05011	0.3
73.02942	0.6
73.63615	0.4
79.95747	1.4
85.02959	0.4
96.96006	100.0
98.37377	0.4
98.95602	1.1
101.02445	6.7
119.08602	0.6
120.99607	0.3
121.10241	1.0
133.02870	0.4
134.03764	0.5
151.03998	0.6
161.04561	0.3
167.95418	0.4
231.10303	0.6
231.33347	0.4
237.14995	0.5
238.93933	0.4
247.04298	0.5
255.16010	1.9
273.11481	0.5
275.09286	0.8
293.10397	0.7
311.98889	0.4
335.11661	43.4
336.12024	3.4
348.71582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87596	0.8
55.01870	1.1
57.51799	0.9
58.00577	2.0
59.01377	71.3
60.01730	1.0
70.97700	2.0
71.01378	37.5
72.99310	2.2
73.02937	0.9
83.01392	2.3
85.02940	7.3
89.02439	37.5
89.87698	0.9
95.01381	3.1
96.96004	1.2
99.00903	1.1
101.02443	25.9
113.02454	12.9
119.03492	18.1
131.03461	1.1
143.03542	1.9
149.04546	1.6
155.07132	4.3
157.03038	0.9
161.04427	1.1
173.08197	2.0
179.05569	2.4
196.17545	0.8
240.59213	0.9
335.13443	100.0
336.13840	7.8
351.06564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03433	1.0
58.00581	0.8
59.01377	13.8
63.46201	0.3
67.29966	0.4
69.03423	0.3
69.37734	1.0
69.38161	1.8
71.01376	12.0
72.99302	1.3
73.02954	2.9
78.07012	0.3
78.53308	0.3
82.68493	0.3
83.01373	2.4
83.62988	0.3
85.02942	4.5
87.00864	1.4
87.57243	0.3
89.02428	3.1
95.01394	1.1
96.95993	1.2
99.00856	0.9
101.02434	6.9
102.98568	0.4
111.00835	0.4
113.02442	2.7
117.65759	0.4
119.03503	0.8
124.01600	0.4
127.11301	1.8
139.03911	0.3
147.92494	0.3
155.10753	2.4
169.68248	0.3
171.10281	0.4
173.11810	34.7
174.06862	0.3
174.12215	1.6
183.02995	0.9
187.07623	1.2
189.58479	0.3
200.76080	0.4
202.06247	0.4
231.10260	1.2
238.48441	0.4
275.09155	0.6
293.05280	0.5
317.16025	2.0
335.17096	100.0
336.17371	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	335.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00582	1.8
59.01377	45.9
61.98820	2.3
68.55976	0.5
69.40010	4.8
70.11494	0.6
71.01378	25.2
72.01722	0.6
72.99304	4.0
73.02931	1.4
79.95691	0.9
83.01385	2.0
85.02946	4.5
87.00832	0.9
89.02438	20.9
95.01390	3.2
96.96007	3.7
99.00861	0.6
100.17883	0.6
101.02434	16.6
113.02453	9.1
115.91418	0.5
119.03494	7.0
131.03477	0.7
136.51086	0.6
144.37302	0.5
147.00896	0.9
147.03088	0.7
149.04471	0.6
153.54649	0.6
155.10771	18.3
159.04477	1.1
166.05077	1.2
172.05276	2.0
173.06029	2.9
173.11795	4.4
174.06842	1.8
175.07578	1.0
187.07637	12.7
188.08028	1.1
201.05579	1.0
202.06343	3.4
209.28252	0.6
210.03868	0.9
213.09200	2.6
225.00864	0.6
231.10234	7.8
232.10605	0.8
264.38599	0.7
274.69348	0.6
275.09213	2.3
285.38770	0.6
293.10278	1.6
335.17108	100.0
336.17459	9.5
349.17145	0.6
349.63867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.34864	7.4
70.32371	7.9
71.01392	21.9
71.02744	10.4
71.03070	16.0
72.99305	10.5
73.02931	16.5
74.18600	7.7
85.02962	18.1
89.02452	17.4
93.03418	9.0
96.96017	31.5
101.02477	11.8
101.62770	9.6
104.59438	7.8
113.02457	18.6
113.69298	7.4
113.99605	18.6
115.03996	32.6
119.05002	19.0
123.49063	9.1
129.37970	8.6
137.02437	17.9
139.03973	22.7
160.61827	8.2
163.03996	29.3
174.01671	12.9
185.10820	8.3
185.25891	7.8
277.05533	19.2
337.07291	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	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03432	0.7
59.01381	2.6
60.28408	0.5
68.99799	2.7
69.03473	0.6
69.43398	4.1
69.43780	1.1
69.92390	0.5
71.01375	3.0
73.02942	1.0
75.00867	0.9
83.01379	1.3
85.02948	5.9
87.00877	2.1
89.02457	0.8
95.01379	1.5
98.20329	2.2
99.00870	4.4
101.02429	1.6
110.22655	0.6
111.00878	2.4
113.02446	5.8
113.99578	15.1
115.00387	7.4
127.00358	3.1
129.01929	1.5
131.03496	0.5
139.00375	0.7
141.01958	1.0
157.01399	5.3
169.01448	1.5
174.01686	18.0
175.02332	1.7
191.05577	1.2
277.05606	17.9
278.05997	0.8
305.00040	0.7
337.07727	100.0
338.07996	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	337.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03431	0.7
57.26252	0.2
57.51232	0.2
59.01378	3.9
67.01864	0.2
68.99828	2.9
69.03446	0.9
69.41887	1.1
70.45209	0.2
71.01376	3.8
72.99290	0.6
73.02937	1.8
75.00867	1.4
79.54118	0.2
80.75074	0.2
83.01390	1.5
83.05031	0.2
85.02946	7.3
86.03278	0.2
87.00872	3.1
89.02422	1.3
95.01363	1.3
96.96010	0.8
96.99318	0.4
97.02947	0.7
99.00878	4.8
101.02437	2.6
103.00330	0.3
108.78025	0.2
109.02924	0.2
111.00869	2.4
112.98682	0.7
113.02444	7.3
113.99582	18.5
114.02736	0.3
115.00383	7.7
115.03996	0.3
116.00717	0.3
119.03521	0.2
125.02428	0.6
127.00371	3.1
129.01952	2.4
131.03491	0.4
139.00327	0.7
141.01930	0.7
142.99927	0.3
143.03459	0.3
145.01416	1.0
146.04568	0.3
157.01414	5.6
169.01408	1.7
174.01674	18.7
175.02449	3.3
205.07292	0.3
226.59987	0.2
277.05621	18.7
278.05951	1.3
300.86478	0.2
337.07733	100.0
338.08054	8.0
338.12094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.95546	0.2
59.01368	2.0
67.01866	0.8
69.38040	2.1
71.01385	1.1
73.02927	0.5
79.95697	0.3
81.03452	0.3
83.05019	0.6
85.02941	7.0
87.00861	1.4
93.03447	4.5
96.96014	2.3
101.06087	0.4
101.06799	0.2
109.02918	0.7
111.04507	1.1
113.02449	0.4
119.05029	1.5
127.03997	1.9
129.01962	0.4
132.47322	0.3
134.66440	0.2
145.02902	1.0
148.80086	0.2
155.03473	0.3
161.73540	0.3
163.04008	1.9
171.02942	0.6
173.04515	2.6
175.02670	0.7
176.03554	1.2
181.68759	0.3
191.05597	100.0
192.05943	3.9
199.45493	0.2
203.12778	0.2
215.35667	0.2
308.43210	0.3
337.09433	4.1
337.13034	0.4
338.09055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01373	18.2
62.15580	0.6
70.35410	2.3
71.01374	3.8
73.02943	1.3
74.99105	0.6
75.00854	0.7
79.95734	0.9
85.02946	6.4
87.00897	1.4
87.20571	0.6
89.02436	2.6
89.20319	0.6
93.03452	4.7
96.96005	10.3
101.02449	2.3
111.04531	2.6
113.02455	2.0
119.05022	58.3
120.05349	2.7
124.07674	1.4
127.04010	1.7
136.07655	2.5
137.02397	0.9
138.05617	1.2
155.03477	2.2
155.86539	0.6
157.08722	1.1
161.04575	0.9
163.04001	100.0
164.04340	5.8
165.09261	0.7
168.06650	2.0
173.04550	7.0
175.02698	1.2
176.03517	8.5
185.30711	0.6
191.05595	44.1
192.05933	1.7
213.14919	1.1
256.99576	0.7
257.13989	1.3
277.12323	1.2
337.09525	15.2
337.15051	5.4
337.18716	1.0
338.08981	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.78559	0.5
57.03445	1.3
59.01381	3.2
60.99279	0.6
61.94137	0.5
67.01884	4.0
69.03456	0.9
71.01366	4.0
71.18095	0.9
71.18462	0.6
73.02928	0.7
73.27335	0.5
81.03427	0.7
83.05021	1.2
85.02943	3.9
87.00889	1.3
89.02404	0.6
93.03453	24.6
93.43897	0.5
94.03824	0.5
96.96017	4.1
98.43695	0.5
101.02429	1.5
109.02946	0.9
111.00862	0.8
111.04516	5.2
117.76572	0.5
119.05016	21.6
122.67072	0.4
127.03987	1.2
137.02426	3.9
139.90024	0.4
145.02998	0.7
155.03491	4.1
161.04637	0.6
163.03995	15.2
164.04338	0.8
171.02959	0.6
173.04533	100.0
174.04892	4.0
191.05603	18.9
192.05933	0.7
199.88289	0.5
213.14932	1.7
257.13928	1.7
285.68948	0.4
337.09381	9.2
337.18555	0.9
338.09485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.7
59.01379	10.9
60.59527	0.5
60.67079	0.6
61.19921	0.5
66.16689	0.5
67.01887	0.6
71.01376	2.2
71.60319	0.8
73.02940	0.6
83.05017	0.8
85.02954	3.2
87.00916	0.5
89.02426	0.8
93.03456	4.3
96.96004	6.9
101.02451	1.8
104.82394	0.5
111.04517	2.8
119.05021	52.7
120.05364	2.1
124.07643	1.0
127.03964	0.8
129.01993	0.5
136.07657	1.8
138.05586	0.6
155.03488	2.8
161.04460	0.6
163.03996	100.0
164.04353	4.7
168.06662	1.5
173.04518	5.4
175.02747	0.6
175.09760	1.4
176.03511	2.3
178.88879	0.5
191.05595	21.3
192.05940	0.9
197.84218	0.6
213.15034	0.6
275.10284	0.6
277.12064	1.0
337.09531	9.7
337.15060	4.6
338.09283	1.6
343.26361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01374	7.0
60.99310	0.7
61.30444	0.5
67.01887	4.4
69.03449	1.1
69.40597	4.3
71.01376	5.9
72.99284	0.5
77.26961	0.4
79.95741	0.8
81.03446	0.9
83.01379	0.9
83.05003	1.4
84.42377	0.5
85.02949	2.1
87.00864	1.0
89.02441	2.1
93.03452	27.2
94.03769	0.7
96.96006	19.1
101.02454	3.4
109.02968	1.3
111.00916	1.4
111.04510	3.9
113.02449	1.7
119.05019	15.0
137.02458	4.5
151.11279	2.3
155.03479	4.9
161.04594	1.5
163.03998	18.5
164.04343	0.7
169.12381	3.9
173.04535	100.0
174.04871	4.8
191.05591	4.2
195.14008	2.5
213.14951	18.9
214.15352	1.1
257.13919	16.8
258.14169	1.1
299.11371	1.4
337.09537	26.5
337.18509	1.0
338.09735	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	337.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06428	1.1
59.01376	100.0
60.01714	1.2
71.01382	7.9
71.59171	1.6
78.95920	1.1
83.01430	1.5
85.02947	5.0
87.00861	1.9
89.02458	6.1
96.95999	2.9
99.00881	3.3
101.02415	5.7
102.02841	1.3
111.00867	1.4
113.02438	5.9
113.99567	4.8
115.00381	2.1
115.03185	2.1
115.04005	41.5
119.03452	1.8
150.91563	1.2
157.01399	1.2
161.04546	6.0
168.77275	1.1
174.01653	4.2
175.02519	1.9
175.06100	1.8
191.26451	1.2
277.05807	4.1
277.09241	39.2
278.09494	3.2
317.87460	1.7
337.01541	1.5
337.07654	23.8
338.08145	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	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03448	1.1
58.00581	3.2
59.01378	91.0
63.53682	0.8
69.63765	1.8
69.64164	4.6
71.01377	43.9
72.01727	1.2
72.99306	3.8
73.02940	2.0
78.38747	0.8
79.95725	0.9
83.01393	2.1
85.02941	10.5
87.00860	2.7
89.02438	48.8
90.02757	1.2
93.03465	4.0
95.01389	3.6
96.96014	6.9
98.19885	1.8
101.02438	30.2
111.04510	1.1
113.02438	18.7
113.09774	1.1
119.03501	22.4
119.05011	3.7
121.70979	0.8
131.03496	3.2
138.01981	2.7
143.03511	2.9
149.04498	1.5
149.06091	1.8
158.06071	1.4
161.04582	2.9
163.04045	2.6
173.04530	14.3
179.05627	3.3
191.05618	3.9
237.03906	1.2
257.13925	1.4
337.09317	4.0
337.15027	100.0
338.15402	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	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85315	0.8
55.01865	1.1
58.00579	2.5
59.01374	82.7
69.64303	5.2
71.01376	43.1
72.99284	3.0
73.02935	2.9
76.61806	0.8
83.01389	2.3
85.02937	8.6
87.00874	2.5
88.61196	0.8
89.02438	44.5
90.02784	1.2
95.01384	3.6
96.96001	7.4
99.00883	1.0
101.02441	27.1
102.92845	0.8
112.80740	0.8
113.02437	16.8
113.09698	1.3
119.03495	23.1
131.03448	1.2
138.01973	4.0
138.05551	0.9
139.02321	0.9
143.03380	1.8
154.17268	0.8
161.04495	2.5
163.04012	1.8
173.04529	3.0
179.05623	2.7
179.51932	0.9
199.40594	0.9
337.09796	6.3
337.15012	100.0
338.15427	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	338.0877
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01376	19.8
62.18153	0.4
70.04047	2.0
71.01366	0.8
73.02966	0.5
75.00858	0.6
79.95734	0.6
81.75855	0.5
85.02963	1.2
87.00891	0.7
92.05033	2.8
93.03468	1.4
96.96008	12.1
102.03494	1.2
116.47748	0.4
118.02961	0.8
120.04585	2.2
144.04549	0.7
146.02466	5.3
147.03265	2.4
148.04042	4.3
158.06128	0.8
161.04553	0.5
165.94173	0.5
174.01997	1.1
175.02734	59.0
176.03511	100.0
177.03885	5.3
186.05609	1.4
188.03499	1.9
189.01927	0.5
191.05569	4.2
192.05980	2.8
193.06024	0.5
202.05046	0.5
265.07373	2.8
279.14484	0.7
338.08795	57.6
339.08966	2.4
339.11212	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	339.0717
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
51.35625	0.3
57.21068	0.3
59.01371	2.8
61.96953	0.2
66.67708	0.3
69.26562	2.9
69.26855	0.2
71.01379	1.0
72.99301	0.3
73.02950	0.3
78.91875	0.5
79.95731	0.8
84.67365	0.3
85.02958	0.8
93.03457	1.5
95.01389	0.5
95.05046	0.4
95.95246	0.5
96.96011	6.2
98.95618	0.4
99.00894	0.5
101.02444	0.5
105.03442	1.0
108.02189	1.6
109.02959	0.7
113.02495	0.5
120.02218	0.6
121.02975	1.4
123.04511	1.4
125.02463	0.3
127.91399	0.3
131.03526	0.5
132.02167	0.3
133.02969	2.3
133.95863	0.3
135.00862	0.3
141.05501	0.3
147.04562	0.3
148.01636	1.0
149.02406	2.0
167.03554	0.3
173.04509	0.6
175.05133	0.4
175.99574	0.4
176.01138	12.1
177.01920	100.0
178.02238	5.4
188.07236	0.5
208.03793	0.3
258.96063	0.3
279.14423	0.8
295.11935	0.5
321.09552	0.3
338.91617	0.5
339.07175	21.9
339.11053	2.6
340.08063	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	339.0719
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.98186	0.2
59.01374	2.7
59.78586	0.2
67.06604	0.2
69.21273	0.2
69.58582	0.4
69.58998	0.8
71.01390	0.3
72.99306	0.2
74.99071	0.3
79.95759	0.3
81.03445	0.6
83.01350	0.2
85.02942	0.8
89.03969	1.5
93.03424	0.2
96.96013	0.9
99.00858	0.3
101.59019	0.2
104.02669	0.5
105.03449	2.9
105.58331	0.2
106.03735	0.2
113.02420	0.3
119.04989	0.2
131.03482	1.8
133.02950	8.0
134.03233	0.3
148.01672	0.9
149.02431	0.7
161.02460	0.3
163.04060	0.4
175.02550	0.3
176.01134	2.1
177.01915	100.0
178.02260	5.3
178.06371	0.3
193.03558	0.8
243.64188	0.2
261.07547	0.2
279.14276	0.2
314.30832	0.2
339.07166	15.2
339.10654	0.7
340.07578	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	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01380	2.1
61.98897	0.3
65.00325	1.0
65.03958	1.5
67.01888	1.3
71.01402	0.5
73.02958	0.3
80.02705	0.6
84.10702	0.3
91.01891	52.9
92.02212	1.6
96.96008	0.6
108.02174	0.9
108.38457	0.3
109.02947	14.5
110.03272	0.6
121.02959	0.8
123.04510	1.0
133.02954	1.2
135.00879	100.0
136.01154	4.2
137.02448	3.7
148.01657	0.4
149.02420	1.3
151.04007	0.4
153.01927	63.6
154.02286	2.5
161.02414	1.4
163.03993	0.5
177.01968	1.3
179.10725	0.9
189.01881	1.3
279.05157	1.2
297.06122	1.3
339.07162	32.3
340.07495	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	339.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65679	4.3
58.00600	4.1
59.01379	94.7
71.01386	44.5
72.99304	68.2
75.00873	28.1
89.02440	74.6
96.96001	13.0
97.06575	15.5
99.00878	21.7
104.52338	4.7
105.12406	4.9
107.05010	6.4
109.06582	9.6
111.08165	13.6
111.26362	4.7
112.98807	18.0
114.07946	4.9
117.01935	57.7
121.06579	16.8
123.08139	12.6
124.01652	6.0
124.98793	8.3
125.06073	22.7
135.02980	18.9
135.04572	10.0
135.08116	9.9
137.02470	4.7
137.06013	5.3
139.07617	18.2
139.39488	5.4
142.99867	100.0
149.06070	28.2
153.05566	53.2
166.06285	10.2
167.07104	50.2
168.07462	7.8
171.06659	11.3
173.00928	45.8
174.01677	62.5
179.07188	4.9
181.08627	22.2
183.06511	4.6
193.05061	22.2
211.06079	12.8
213.07611	6.2
225.07635	71.2
229.14473	4.6
233.04559	4.8
243.08600	7.4
253.07103	7.0
264.68753	5.0
271.08200	30.6
295.11533	4.9
303.10898	11.7
339.10941	5.2
339.14450	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	339.1596
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
59.01384	8.1
59.51810	1.0
68.38146	1.3
71.59332	1.5
89.20410	1.2
94.90441	1.2
106.95670	1.1
110.12237	1.2
117.96835	1.1
119.78708	1.1
123.97922	1.2
134.03749	2.2
149.06055	2.8
155.98239	1.1
161.02469	2.1
163.11368	1.3
173.86662	1.1
183.01205	2.1
225.09189	59.3
225.18047	1.2
226.09473	5.7
237.09204	15.4
260.10345	1.1
277.25220	5.9
295.17014	50.2
295.26382	3.6
296.17368	4.4
298.16473	1.4
321.24091	1.4
339.16000	100.0
339.19843	7.2
339.25247	20.6
340.16348	14.1
340.25415	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97047	0.4
57.03453	0.5
59.01377	100.0
59.71384	0.5
60.01712	0.9
61.98835	1.2
63.18760	0.4
69.03436	0.5
70.15074	0.8
70.15482	1.4
71.01382	3.5
72.34175	0.5
73.02954	1.4
83.01413	0.8
85.02951	3.5
87.00870	0.9
89.02471	0.9
96.96009	3.5
98.19893	0.7
99.00906	0.6
99.06318	0.4
101.02456	3.6
113.02477	1.2
129.02000	0.4
131.03493	2.8
133.02943	1.3
148.01698	2.0
153.53261	0.5
159.05629	0.7
160.04062	1.3
161.04544	2.9
173.07265	0.7
176.01149	3.4
177.01918	18.1
177.06715	0.6
178.02296	0.6
178.05148	1.0
183.42966	0.4
193.03575	1.0
205.06281	1.2
219.07819	1.0
237.88084	0.5
279.14478	8.8
280.14859	0.7
305.17252	0.5
339.07321	3.4
339.11572	3.8
340.11475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1996
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
58.28824	0.3
60.81411	0.3
71.03136	0.6
79.95746	0.9
84.03098	0.3
96.96017	0.4
98.95584	0.4
119.05028	0.8
170.00433	1.5
183.01196	44.6
184.01741	2.3
197.02768	2.5
198.03377	0.4
211.04359	0.3
216.00941	1.0
225.05820	0.6
234.25955	0.3
239.07425	1.0
282.42407	0.3
288.11752	0.3
339.19955	100.0
340.20294	10.7
340.24133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.72434	0.6
59.02579	0.5
59.56977	0.5
64.99438	0.4
67.90347	0.6
70.74787	0.4
80.02116	0.5
83.57996	0.5
102.32436	0.5
117.54401	0.5
149.15511	0.6
163.11272	79.1
164.11597	3.5
218.64789	0.5
273.16068	0.6
339.23248	100.0
340.23581	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	340.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98028	0.6
59.01375	12.2
59.01677	0.6
61.98899	0.5
71.01382	7.7
71.01711	0.6
71.59386	0.6
72.99342	0.8
73.02940	0.9
83.01408	0.7
85.02960	1.5
87.00880	0.8
89.02439	9.7
89.02925	0.7
95.01468	0.6
96.00903	0.6
96.96049	2.3
101.02448	4.1
106.06686	0.6
113.02473	2.8
119.03532	3.1
119.05079	0.6
134.13702	0.6
135.04483	0.6
135.08279	0.6
143.03493	0.9
146.03714	8.9
147.82182	0.6
149.02460	0.7
151.00336	1.2
155.12663	0.5
161.04587	0.8
171.72220	0.6
174.03209	7.4
179.05534	3.1
181.15352	0.5
189.01978	0.7
202.02669	4.0
206.08920	0.6
242.78120	0.6
246.01669	90.0
247.02049	7.4
261.04007	100.0
262.04340	8.1
270.47275	0.6
276.84360	0.6
281.12411	0.6
281.97595	0.5
298.08423	0.7
308.91876	0.6
340.99686	5.9
341.06403	1.1
341.10608	8.9
341.16016	1.2
342.10992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
52.23018	0.4
58.00595	0.4
58.28653	0.5
59.01376	14.0
67.23304	0.4
69.56557	1.4
69.56982	1.9
71.01377	9.4
72.99313	0.8
73.02957	0.6
83.01387	0.5
85.02944	2.4
85.88137	0.4
87.00882	0.8
89.02443	12.5
95.01385	0.7
96.96011	1.5
101.02437	5.0
102.53187	0.5
107.05053	1.0
109.02942	1.0
113.02438	4.2
119.03499	3.8
119.05047	0.5
123.04531	1.1
125.02435	0.9
131.03499	1.2
133.02934	1.1
134.03757	3.3
135.04515	86.0
136.04826	3.3
137.02454	0.8
143.03452	1.2
146.03702	0.7
147.04532	0.5
149.04585	0.6
151.00404	0.7
151.03986	0.9
160.77254	0.5
161.02444	2.3
161.04538	2.4
161.05872	0.6
177.01936	1.2
178.02745	0.5
179.03482	100.0
179.05527	4.2
180.03798	4.6
189.01930	3.5
190.02625	0.7
191.03577	0.7
191.66692	0.4
203.03340	0.6
205.03448	0.5
217.01404	1.5
219.03026	0.7
305.12335	2.2
341.08582	12.9
342.09659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03456	1.9
58.00595	0.7
59.01373	20.6
71.01383	12.7
71.59347	0.9
72.99309	1.5
73.02935	0.7
75.00880	1.0
79.95741	2.0
83.01392	0.8
85.02939	8.0
87.00882	1.7
89.02435	16.2
93.03479	0.7
95.01402	1.0
96.96011	4.7
99.00861	0.6
101.02438	7.5
107.05032	0.9
111.00873	2.9
112.04026	0.6
113.02454	5.7
119.03506	6.2
119.04990	1.0
125.02470	0.6
129.01941	2.5
131.03461	0.5
133.02934	0.8
134.03726	2.9
135.04521	96.0
136.04863	4.9
137.02448	0.8
138.05545	0.5
143.03476	1.5
145.02895	0.6
149.04500	0.8
161.02469	1.5
161.04544	2.7
161.06055	1.9
179.03488	100.0
179.05516	5.2
180.03822	5.7
195.05136	1.1
205.03442	2.6
211.04431	0.8
223.04517	6.6
278.41232	0.5
341.08292	14.7
342.09412	1.5
344.27866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.90754	0.5
57.03442	0.8
58.00570	0.8
59.01377	27.6
61.98824	1.1
69.09123	0.4
69.71760	1.0
69.72163	1.6
70.42912	0.4
71.01382	18.4
71.20486	0.4
72.01704	0.4
72.99298	1.4
73.02932	0.8
77.03964	0.4
83.01382	1.1
85.02942	3.5
87.00872	2.1
89.02441	19.9
93.03477	0.6
95.01396	1.2
96.96008	1.4
98.20618	0.6
98.98235	0.5
99.00892	0.6
101.02438	10.1
102.08228	0.4
104.41685	0.4
105.03418	0.6
107.04996	1.1
113.02445	7.1
113.03159	0.7
114.05610	0.5
117.97305	0.8
119.03510	5.9
119.05024	0.7
121.02959	1.1
131.03505	1.0
132.02159	1.4
133.02957	26.1
134.03271	1.0
135.04526	11.2
137.02460	0.9
138.05556	0.9
143.03529	2.0
149.04581	0.7
149.06102	0.8
161.02438	100.0
161.04599	2.6
162.02803	5.1
163.04027	4.3
164.04805	4.1
171.89818	0.5
175.03984	0.7
177.01961	2.3
177.05502	1.2
178.02274	1.2
178.06334	1.4
179.03502	17.6
179.05591	9.2
179.07143	7.0
180.03888	0.7
183.92509	0.4
185.16904	0.4
189.01910	0.4
193.22939	0.4
195.04988	0.6
203.03482	3.0
221.04517	1.8
224.11499	0.4
251.05522	1.2
281.06717	2.3
323.07846	0.4
341.08743	10.9
341.11264	4.7
342.08813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03433	1.0
58.00579	3.2
59.01376	100.0
62.61874	1.0
62.63098	1.0
69.42599	0.9
69.62203	3.8
69.62621	2.7
71.01378	67.7
72.01723	1.5
72.99295	2.9
73.02953	1.7
83.01379	1.6
85.02943	7.6
87.00871	4.4
89.02441	85.8
90.02769	1.4
95.01391	3.3
98.19978	2.1
101.02438	30.0
113.02443	26.4
119.03493	31.8
121.04147	1.0
131.03487	4.5
143.03506	8.1
149.04564	8.1
161.02435	2.0
161.04555	10.6
179.05595	41.8
180.05983	1.2
210.70305	1.1
212.03363	1.1
287.18341	1.0
341.10846	58.7
342.11395	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87861	0.7
53.31054	0.7
55.01880	1.5
56.43668	0.7
57.03450	1.9
58.00586	4.0
59.01378	100.0
60.01722	1.5
61.98832	1.5
62.77390	0.8
70.85622	1.6
71.01380	66.9
72.99311	3.1
73.02945	2.1
75.14585	0.8
82.20005	0.9
83.01403	2.7
85.02949	9.9
87.00848	5.0
89.02445	84.3
90.02775	1.8
95.01383	4.1
97.02935	1.0
101.02443	32.0
102.02833	0.9
107.03487	1.0
108.21792	0.7
113.02451	26.2
113.03262	1.3
119.03500	26.9
120.03821	1.0
123.04573	0.8
125.02467	1.8
131.03534	4.8
135.99744	0.8
143.03506	8.0
149.04575	3.3
161.02452	1.1
161.04552	12.0
179.05612	38.9
188.85423	0.7
195.89465	0.8
341.10876	52.6
342.11176	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26595	2.0
55.01871	3.9
56.45472	1.7
58.00590	3.5
59.01375	97.6
71.01376	73.2
71.59930	1.9
72.01707	1.7
72.99297	3.8
73.02943	7.9
75.00873	2.4
83.01398	4.5
84.07256	1.6
85.02959	21.5
87.00870	29.6
89.02441	95.3
90.02818	1.9
95.01390	4.4
97.02941	4.9
99.00884	3.8
101.02431	50.8
102.02776	2.8
113.02437	28.1
116.77470	1.8
117.01946	3.1
119.03506	21.9
125.02411	8.5
131.03513	3.8
136.18124	1.9
141.01979	2.9
143.03459	16.5
149.04503	4.1
161.04535	52.0
179.05600	78.1
180.05975	2.8
267.07001	2.3
281.08682	2.4
332.13474	1.6
341.10898	100.0
342.11249	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77456	0.9
57.03446	1.1
58.00587	4.4
59.01377	100.0
60.01704	1.2
70.49760	2.7
71.01378	71.6
72.01711	2.2
72.99302	3.3
73.02941	2.3
77.14084	0.8
83.01388	2.7
85.02942	10.0
87.00860	5.1
89.02439	92.0
89.10601	0.8
90.02802	1.5
93.84209	0.8
95.01379	3.3
99.00879	1.1
99.43060	0.8
101.02435	30.5
107.03484	0.9
113.02445	29.3
114.02810	1.2
119.03496	27.6
120.03826	1.3
125.02480	1.6
131.03484	4.9
143.03510	7.8
149.04562	11.7
161.04556	10.6
179.05589	33.5
180.05934	2.2
191.05716	1.3
341.10858	48.8
342.11148	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	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.7
71.01376	8.4
71.61546	0.9
73.02924	0.7
79.95715	0.8
85.02946	1.7
87.00871	1.1
89.02438	11.2
96.96004	1.3
96.96978	0.6
101.02446	4.3
113.02461	3.2
119.03477	3.5
123.71303	0.6
131.03487	0.9
133.71942	0.7
138.54144	0.7
143.03461	1.4
145.02934	2.9
161.04605	1.1
179.05611	4.4
179.10757	1.6
180.05772	0.7
181.10577	0.6
189.01888	1.2
196.05290	1.2
213.09076	0.8
221.06100	0.8
222.06723	1.0
224.04739	6.0
225.05182	1.2
225.09177	0.9
225.14632	0.7
227.10719	2.6
238.06323	7.3
238.85713	0.7
239.06973	1.1
239.10735	2.4
241.08734	3.5
251.07133	1.5
252.04381	1.1
252.07742	1.0
253.08606	1.7
254.09470	1.7
255.10265	9.6
265.08563	0.8
266.05807	4.8
267.06360	0.8
267.10117	1.2
268.10892	0.7
269.11746	3.8
270.05414	1.9
270.12558	3.6
281.08148	0.9
282.08911	2.8
283.09732	45.2
284.10104	4.2
294.09015	2.0
295.09750	5.7
296.10464	3.6
297.11313	2.0
298.11984	5.0
309.11298	2.6
310.08578	1.5
310.12070	4.1
311.09238	99.7
312.09555	11.7
320.11819	0.7
325.10770	15.0
326.11554	69.4
327.11966	7.0
341.06894	2.7
341.13931	100.0
342.10837	0.9
342.14319	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76469	1.1
58.13354	1.0
59.01377	10.5
69.03437	1.8
69.72798	6.7
71.01380	6.6
73.85123	0.9
83.05067	2.0
84.02155	4.5
87.00906	1.0
89.02437	8.2
95.05017	1.1
96.54724	0.9
97.02938	1.8
97.06579	7.9
99.04508	1.8
101.02441	4.0
111.08127	1.0
113.02431	2.8
119.03493	3.4
125.09691	2.0
137.09694	1.0
138.22943	1.1
143.03459	1.1
159.10306	1.1
171.10255	16.3
179.05571	3.2
193.12283	12.4
211.13403	3.0
225.14966	16.6
226.15085	1.3
243.15950	6.3
253.16359	2.8
341.10794	3.8
341.23297	100.0
342.23618	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	341.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53064	0.8
59.01152	0.8
59.01383	9.4
60.97656	1.0
64.93377	0.7
67.71152	0.9
69.03452	2.4
71.01382	7.8
74.50677	0.8
75.97989	0.7
81.11839	0.8
83.04988	1.5
84.02140	1.3
85.02927	1.0
87.00834	0.8
89.02440	7.8
89.18027	0.8
97.06588	11.9
98.19849	2.7
101.02416	3.7
113.02447	3.2
119.03500	3.4
119.05067	0.8
125.09711	3.2
137.09702	1.6
149.13364	1.4
165.12801	1.6
171.10225	6.6
179.05597	3.7
193.12315	17.5
194.12660	1.5
203.85478	0.9
211.13387	2.6
221.11844	1.2
225.14943	19.9
226.15259	2.6
230.27600	1.2
243.16003	8.5
244.16415	0.8
253.14310	1.0
323.22040	1.0
341.10840	4.3
341.23288	100.0
342.23605	13.0
357.23965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2482
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
52.41643	0.4
59.01380	0.7
61.98816	0.8
64.79921	0.4
69.63774	2.4
74.21029	0.4
89.02430	0.6
90.99247	0.4
108.02184	0.6
121.02975	0.8
122.03735	24.0
123.00831	0.8
123.04060	0.7
124.01665	2.0
130.47765	0.4
135.04515	18.2
136.01657	6.3
136.05052	0.5
149.06076	3.3
175.64178	0.4
177.09213	2.8
185.00629	0.4
191.10773	1.7
205.12299	2.3
219.13857	0.8
286.19266	0.4
297.18668	0.7
311.20041	1.0
325.21603	0.8
339.23264	5.4
340.23407	0.5
341.24805	100.0
342.25150	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	341.2694
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
50.23244	0.3
57.03434	0.8
59.01382	2.2
61.74379	0.4
64.28749	0.4
66.06634	0.4
71.01370	1.0
71.57763	0.5
89.02431	1.1
101.02436	0.7
105.87506	0.4
106.83170	0.4
110.77740	0.4
113.02426	0.4
117.34143	0.4
119.03526	0.4
139.89572	0.4
161.97807	0.4
175.49936	0.4
178.86403	0.4
270.18430	0.4
277.25421	0.8
279.26917	66.7
280.27234	8.4
297.27963	1.5
323.25909	19.6
324.26205	2.5
334.60004	0.4
341.26941	100.0
342.27304	13.1
342.31519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.96
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08796	0.4
51.42313	0.4
57.21053	0.5
57.79047	0.4
59.01375	86.0
60.01707	1.0
62.01376	0.4
68.58439	0.3
69.83423	0.9
69.83828	1.5
71.75985	0.4
90.88038	0.4
105.49242	0.4
111.00843	0.7
114.78036	0.4
127.64996	0.4
157.03537	9.1
157.04741	0.8
158.03656	0.9
159.01544	2.0
198.98299	0.7
201.02530	100.0
202.02698	9.0
202.96738	0.5
264.95734	0.6
281.10092	0.4
299.96014	0.8
312.96268	1.0
313.96457	0.4
320.96518	1.1
342.95865	1.0
343.03610	3.4
344.03799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11813	0.2
59.01377	84.7
60.01703	1.0
68.70194	0.2
71.07872	0.4
91.86127	0.2
102.86805	0.2
113.04588	0.4
115.02513	0.3
115.35332	0.2
141.00468	0.2
157.03557	6.8
158.03697	0.6
159.01494	2.2
178.95045	0.4
201.02544	100.0
202.02707	9.7
260.95389	0.2
343.03696	3.5
344.03842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0455
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
59.01381	2.6
61.24503	0.4
65.83244	0.6
70.95926	1.1
73.51252	0.5
109.37746	0.7
122.48212	0.6
125.09711	0.6
130.00644	1.0
146.00121	0.7
171.10226	1.1
197.99475	1.2
209.11742	0.7
213.99026	0.7
235.20592	0.8
241.98575	1.9
254.99370	2.3
257.00842	3.3
265.49683	0.7
269.98038	35.1
270.98367	2.5
283.99701	1.1
285.00424	18.0
286.00842	1.6
297.00232	0.9
297.97516	66.3
298.97919	5.8
307.18979	1.0
312.99875	100.0
314.00192	9.4
328.02213	93.5
329.02554	9.8
343.04562	68.8
343.17908	0.6
343.21176	6.4
344.04861	7.7
352.27206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
68.08208	0.4
68.49083	0.3
76.47520	0.5
88.84168	0.4
92.47520	0.3
96.19913	0.4
96.95973	0.4
98.20765	0.6
114.33613	0.3
122.87169	0.4
130.00587	0.7
146.00044	0.4
174.66539	0.4
174.95216	0.4
185.99664	0.5
190.88184	0.5
197.99556	1.5
213.99084	0.8
229.01361	0.7
229.72595	0.4
241.98534	1.7
254.99352	1.8
256.94525	0.5
257.01016	2.7
269.00937	0.7
269.98041	37.2
270.98407	2.6
275.67480	0.4
282.98599	0.4
283.99640	0.5
285.00412	16.9
286.00754	1.2
297.00308	0.7
297.97525	64.0
298.97879	5.6
299.01477	0.9
312.99872	100.0
314.00214	8.3
327.01544	1.3
328.02213	90.1
329.02551	8.5
343.04553	63.8
343.21030	0.6
344.04935	6.7
369.16617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0458
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
53.10018	0.8
59.01319	4.6
61.98794	0.9
64.95437	0.6
69.67004	1.5
69.67410	2.4
71.01349	1.0
89.02365	0.8
96.95991	3.4
101.64128	0.7
115.67324	0.7
118.05289	0.7
121.02882	1.4
130.00586	0.7
185.52304	0.6
213.98885	0.8
229.01372	1.0
241.98511	2.2
254.99348	1.9
257.00858	3.2
269.98035	37.3
270.98431	3.0
282.98807	0.8
285.00388	15.6
286.00735	2.2
297.97525	69.5
298.97922	5.7
299.01169	1.0
305.44571	0.8
312.99875	98.1
314.00183	10.5
327.01447	1.2
328.02216	100.0
329.02539	10.1
343.04559	73.6
343.11414	2.3
343.15326	1.7
343.21249	1.8
343.24884	0.9
343.61206	0.7
344.04977	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.05830	0.3
56.98022	0.9
59.01373	15.7
66.94079	0.4
69.48206	2.7
70.99605	0.5
71.01389	3.9
72.99317	1.0
73.02950	1.1
75.00838	0.4
81.03448	0.6
83.01358	0.6
85.02930	1.7
87.00879	0.8
89.02438	2.6
93.03458	0.6
95.05016	0.8
99.00907	0.4
101.02426	2.8
102.98574	0.6
107.05035	1.4
109.02956	5.8
109.06590	3.9
113.02447	1.3
114.98621	0.7
118.98052	0.5
119.03519	1.0
119.05003	4.4
121.02944	6.6
122.03719	1.2
123.00874	1.7
127.00215	0.4
127.70813	0.4
135.04529	3.8
136.05360	0.3
137.06075	28.4
138.03241	2.3
138.06390	1.3
138.39035	0.4
139.02165	0.4
139.03944	0.5
149.39401	0.3
151.00688	0.7
151.02184	0.8
153.05560	1.6
161.04590	0.5
163.07616	1.4
166.02721	4.8
167.03050	0.4
179.05695	0.4
180.04398	0.6
181.05051	100.0
181.08527	8.2
182.02161	1.6
182.05382	5.1
182.08946	0.6
197.04538	5.6
213.02180	1.6
307.14029	2.3
308.14697	0.4
343.10309	17.0
343.13998	4.5
344.10699	2.1
344.14450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92030	0.7
56.16972	0.8
58.59283	0.7
59.01373	6.6
62.72990	0.8
65.00328	1.7
67.01861	1.2
68.99811	1.2
69.03466	1.1
69.32581	6.7
71.01376	10.4
73.02950	3.5
81.03438	1.7
83.01381	2.3
85.02954	4.4
85.66827	0.7
87.00863	2.9
89.02415	1.5
93.03468	7.4
95.01387	2.8
97.02935	1.2
98.20652	1.5
99.00842	1.7
101.02447	5.5
102.98576	2.0
107.01383	1.1
108.02168	2.7
109.02969	1.3
111.00851	2.2
113.02452	2.4
119.04993	1.7
121.02943	1.4
123.00876	26.9
123.04503	1.3
124.01656	1.6
125.02438	2.1
127.00401	1.9
136.01640	1.2
136.05278	2.1
136.98764	1.5
137.02435	28.8
138.03229	32.7
139.00346	2.3
139.03981	1.5
151.02240	3.1
152.45970	1.0
153.01910	1.7
153.05562	25.1
154.02715	0.9
154.05946	1.2
155.03499	1.5
161.04559	1.9
165.01938	1.6
166.06290	1.2
166.99841	9.2
169.01472	1.1
180.04266	3.3
181.01414	1.5
181.04996	0.9
181.08679	1.9
182.02191	31.9
183.02522	1.3
195.01208	1.4
197.04535	100.0
198.04808	5.9
232.01790	1.0
243.48447	0.7
255.03342	1.5
260.83810	0.8
281.06689	1.4
307.14096	1.1
343.10306	48.2
343.13916	3.6
344.10544	4.9
344.14529	1.1
356.94391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.103
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.72187	0.4
54.57258	0.4
55.76421	0.5
59.01377	4.0
68.90550	0.5
69.28217	4.8
71.01382	2.0
73.02918	0.9
74.86619	0.4
77.38303	0.4
79.95737	0.6
81.95315	0.5
82.20023	0.5
83.01376	0.7
85.00769	0.5
85.02964	1.3
87.00829	0.7
89.02431	0.7
96.96011	0.6
98.19926	1.1
99.04516	0.6
101.02440	1.2
107.05012	0.8
109.02953	1.4
113.02409	0.6
120.99596	0.9
121.06580	0.6
122.03726	12.5
123.00861	3.3
123.04512	1.5
124.01629	2.1
135.04517	2.6
136.05290	65.6
137.06119	9.4
138.03163	1.5
139.03978	1.2
149.06116	0.8
151.03998	1.4
163.03978	1.0
173.06122	0.7
179.07109	2.3
180.04263	100.0
181.05019	20.5
181.08632	7.4
182.05403	1.0
191.07169	2.6
193.05035	1.9
213.05717	0.7
223.06151	1.0
241.04953	1.0
253.07182	1.3
283.08185	0.7
313.10913	0.8
342.56491	1.3
343.10294	75.8
343.13293	3.2
344.10297	6.6
353.70676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82277	0.4
59.01376	12.4
60.01715	0.5
61.98828	1.0
69.39128	0.4
69.55808	2.4
70.30039	0.4
71.01378	4.5
73.02939	0.5
83.01356	0.9
85.02973	1.3
89.02436	1.4
93.03468	0.8
95.01389	7.1
96.96053	0.6
99.00876	0.5
101.02428	2.1
103.84748	0.4
107.05041	1.0
108.02169	1.6
109.02946	1.4
111.00854	0.7
113.02457	1.5
119.03531	0.8
119.05038	4.1
121.02946	2.1
122.03744	1.0
123.00880	100.0
123.04484	1.0
124.01673	49.9
125.01977	0.9
135.04526	1.7
137.02435	1.5
137.06027	0.7
138.03221	51.4
139.00389	1.4
139.04010	56.8
140.04355	2.5
149.02435	1.8
150.03221	1.6
151.04010	1.4
161.04550	1.3
163.04071	2.2
165.01923	4.1
166.02681	2.6
167.03438	0.5
178.02750	0.9
179.44498	0.4
181.05060	9.6
181.08731	0.7
193.05017	1.7
283.08237	1.3
325.75510	0.4
328.08124	1.1
343.07013	0.6
343.10327	13.6
344.10596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01873	1.6
55.19793	1.0
56.98055	1.2
57.03435	3.3
59.01375	27.7
70.13044	3.8
71.01374	20.7
72.99309	3.2
73.01154	2.3
73.02962	4.9
73.33569	0.9
75.00874	1.1
75.70005	0.9
79.95743	0.9
81.03426	1.1
83.01367	2.9
85.02950	9.0
86.00085	1.0
87.00886	3.7
89.02450	11.6
93.03468	2.2
95.01384	1.6
95.05070	1.2
99.00916	2.2
99.04527	1.0
101.02448	11.2
102.98586	3.3
107.05024	4.2
109.02966	3.8
109.06549	1.5
113.02440	7.6
114.98561	1.3
118.98045	1.5
119.03497	4.6
119.05006	3.8
120.04541	1.2
121.02964	5.4
122.03709	1.6
123.00883	2.4
123.04484	2.4
125.02393	1.4
127.78799	1.2
135.04477	6.9
136.05310	16.1
137.06076	13.2
137.99565	1.3
138.03239	1.9
138.05582	4.4
139.04103	1.1
144.62357	1.0
145.05022	1.5
145.06583	1.2
148.05310	2.2
149.04396	1.0
149.06032	2.8
150.06841	12.1
151.07628	9.6
161.02397	2.2
161.04517	3.2
162.06860	14.9
163.02835	1.2
163.04021	2.8
163.07637	15.7
165.05539	4.6
165.09236	1.3
166.02684	2.0
166.06346	1.7
167.07123	2.8
169.01569	1.1
177.05577	6.4
179.03497	3.7
179.05650	2.2
180.03889	1.6
180.07898	26.8
181.05101	48.4
181.08679	100.0
182.05411	1.9
182.09099	5.9
197.04576	2.2
210.33446	1.1
272.76807	1.1
305.11746	2.4
343.04935	3.2
343.10172	11.4
343.13971	30.6
344.10806	1.7
344.14252	2.4
350.82346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.02692	0.5
55.01857	0.5
59.01376	8.7
61.98824	0.7
69.03436	0.6
69.45378	4.0
71.01379	7.2
72.97503	0.6
72.99302	1.9
73.01183	0.6
73.02940	2.3
74.02495	0.5
74.99087	0.5
75.00883	0.6
83.01382	1.1
85.02949	3.8
87.00871	1.0
89.02455	3.3
89.69262	0.4
93.03447	1.0
95.01402	0.9
96.95992	0.7
97.02926	1.1
99.00892	0.9
99.04524	1.3
101.02448	3.3
102.98587	2.8
107.05036	1.0
109.02966	2.2
109.06611	1.1
113.02406	2.6
114.98651	0.6
118.98090	0.5
119.03476	0.7
119.05035	1.2
120.04552	1.2
121.02975	2.8
121.03716	0.5
122.03747	1.0
123.00868	1.2
123.04489	3.3
124.01585	0.5
125.02448	1.1
135.04547	2.6
136.05296	28.1
137.02415	0.7
137.06104	7.5
138.03220	1.2
138.05632	2.7
139.03999	1.3
143.03557	0.5
148.05261	2.8
149.06093	3.2
149.07115	0.4
150.05656	1.1
150.06851	16.7
151.07648	15.5
152.07988	0.8
153.05621	1.2
161.04597	0.7
161.06004	0.8
162.05479	0.9
162.06853	22.1
163.04030	1.7
163.07646	24.0
164.03488	1.0
164.07956	1.7
165.05566	6.9
166.02658	0.6
166.06316	2.2
167.07141	3.8
177.05582	2.1
179.03539	0.7
179.07076	1.0
180.04405	0.6
180.07909	39.5
181.05139	18.0
181.08682	100.0
182.05437	0.7
182.09023	6.5
193.08589	0.5
197.04581	2.4
204.58261	0.5
221.09784	1.2
223.09671	1.0
263.09277	0.8
274.39557	0.5
305.11661	1.9
326.10294	1.2
343.04758	0.9
343.10205	4.1
343.14008	7.9
344.11044	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	343.2122
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.16896	0.3
57.03447	3.8
59.01371	2.1
69.03457	1.0
69.45383	2.0
71.05006	0.7
80.02695	0.6
83.05032	0.8
95.05028	1.3
97.06582	14.5
98.06924	0.6
123.08167	6.6
125.09715	91.6
126.10028	4.2
127.11268	1.6
139.11263	1.2
143.10722	1.2
155.10789	2.1
159.10289	0.5
169.08702	1.7
173.11804	39.0
174.12140	2.0
183.10316	0.7
187.09741	17.1
188.10081	1.1
201.02522	0.5
201.11206	0.7
260.93210	0.4
269.98077	0.9
281.21243	5.9
282.21582	0.7
297.97501	1.4
312.99823	2.1
325.20169	7.4
325.24039	0.6
326.20551	1.2
328.02203	2.0
343.04758	2.1
343.21204	100.0
344.21542	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	345.0826
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00588	1.0
59.01377	28.0
60.84330	0.8
61.44954	0.8
61.98832	1.4
67.10511	0.7
69.59875	5.8
71.01385	18.5
72.99300	2.8
73.02956	1.0
78.95887	0.8
80.02711	1.0
83.01408	1.9
85.02951	4.6
87.00875	1.8
89.02450	10.7
93.03469	0.9
94.34431	0.9
95.01372	2.0
96.96010	1.4
101.02441	8.5
103.05527	1.2
106.04222	1.5
107.01392	18.6
109.02901	1.7
113.02445	6.0
118.98074	2.6
119.03488	3.1
120.99623	1.0
121.02947	1.8
121.06566	2.3
123.00877	4.5
123.04577	1.8
124.01672	7.9
125.02424	2.8
135.04538	1.3
136.98805	1.6
137.02440	3.8
138.03201	1.4
139.00352	3.3
139.04019	21.1
139.07643	0.8
140.01152	0.9
140.04344	1.0
141.01901	1.0
147.23126	0.8
149.02493	1.0
152.01225	0.9
152.12241	1.0
153.01970	1.2
154.02702	1.3
155.03465	0.9
165.01926	2.6
165.05579	3.0
166.02754	1.5
166.05081	1.2
166.99823	3.4
167.03520	2.7
168.00652	15.5
169.01370	1.1
169.05017	1.1
181.05124	0.9
182.02150	4.5
182.05827	2.8
183.02975	100.0
184.03310	4.1
184.06058	1.4
195.02998	0.9
197.04590	2.0
210.01692	4.1
225.04031	22.6
226.04369	1.6
282.50922	1.0
285.06134	9.1
290.96988	1.1
345.08240	59.5
346.08627	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	345.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18871	0.5
55.01883	1.5
59.01374	10.5
61.98828	1.3
68.01414	1.9
71.01376	2.8
71.05015	7.9
71.57681	0.8
78.95910	1.8
80.04996	0.6
80.91697	1.8
82.02962	0.9
83.01387	1.8
85.02950	0.9
87.00879	1.1
89.02449	2.0
93.03458	1.0
95.01389	1.3
95.02506	1.5
95.05035	2.1
96.96008	1.0
96.96983	1.0
97.02950	14.5
101.02437	1.7
110.02458	1.4
111.02003	19.7
112.02335	0.9
113.02442	1.4
118.98114	0.7
123.00859	4.9
123.04516	9.4
124.01669	2.9
125.02437	1.1
127.05182	0.6
135.04524	0.8
137.02434	1.1
138.03235	1.2
139.03998	100.0
140.04361	4.3
151.05135	7.1
153.05573	0.7
161.04503	0.9
163.03995	2.9
165.01877	1.4
165.05528	0.6
166.05122	0.7
166.99950	2.8
169.01488	0.7
179.05571	0.8
181.05045	0.8
182.02199	2.2
183.02930	4.5
183.05200	0.6
195.04099	1.1
207.03062	0.9
213.05150	40.9
214.05405	2.0
243.06114	0.9
309.08182	2.5
330.05707	0.8
345.08575	23.8
346.09021	1.1
346.94086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83802	0.9
55.01871	2.4
59.01374	13.5
61.98833	1.3
68.01415	5.0
70.49031	2.0
71.01373	3.8
71.05016	9.4
72.99304	1.1
78.95888	4.2
80.05050	1.0
80.91659	2.8
82.02975	1.5
83.01385	2.6
85.02936	2.0
89.02452	2.4
95.01392	1.4
95.02483	3.5
95.05016	4.1
96.95990	2.1
96.97018	1.3
97.02951	17.2
101.02414	2.4
101.25282	0.8
110.02467	3.5
111.02000	43.9
113.02450	1.5
118.98030	0.9
123.00871	9.2
123.04504	9.0
124.01731	4.8
124.03976	1.0
125.02357	1.7
134.04639	1.2
135.04532	0.9
137.02399	1.7
138.03204	2.4
139.00418	1.7
139.04007	100.0
140.04350	2.5
151.05133	13.8
152.03387	1.0
153.05550	1.0
161.04498	1.3
163.03989	4.1
165.01918	1.3
166.99878	4.2
168.00429	0.8
169.01419	0.9
182.02187	4.4
183.02896	4.3
195.04066	2.3
207.02985	1.1
213.05161	77.0
214.05452	2.9
243.06239	1.1
309.08377	4.3
330.05804	1.5
345.08743	34.2
346.05237	1.5
346.09299	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	345.1088
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01384	1.1
61.50251	0.5
69.39906	4.4
72.99293	0.6
79.19853	0.5
84.04539	0.8
85.02963	0.5
91.61256	0.5
94.06577	0.6
95.03754	1.9
96.04525	0.6
96.08177	0.8
96.95947	0.8
97.01662	0.6
104.05079	1.1
106.06618	3.8
111.00811	0.5
112.04002	0.5
120.04559	0.7
122.06113	1.7
122.12953	0.5
124.07681	7.3
132.04547	32.0
133.05342	21.7
134.06165	4.7
138.05569	1.0
146.02402	0.5
148.04060	2.5
150.05586	2.0
160.07626	0.7
165.04303	21.0
166.04636	0.9
176.03476	0.7
176.07158	0.7
177.04315	3.7
178.05032	1.8
183.10245	0.8
184.07741	0.7
185.08330	0.9
186.09221	4.5
198.09247	0.9
209.03261	4.3
212.10805	0.7
213.06731	2.7
214.12312	6.5
215.11880	6.6
215.19499	0.5
216.12137	0.8
226.07410	0.8
227.08199	0.9
229.09761	3.2
240.10223	1.7
241.09758	2.7
255.11536	1.0
256.03625	0.9
257.12924	20.4
258.13208	1.8
268.08481	0.7
283.10843	7.9
284.11279	0.7
301.11914	16.5
302.12082	1.0
327.09683	1.9
330.11005	0.8
345.10831	100.0
346.11172	10.0
346.15054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.8
59.01376	23.1
63.79627	0.7
69.24763	1.8
69.25179	5.7
71.01380	12.8
72.99308	1.8
77.10764	0.7
83.01424	0.9
84.04557	1.0
85.02934	2.7
89.02441	16.0
93.03445	2.4
94.02957	1.0
95.01353	1.1
95.03767	3.6
96.08200	1.5
96.96000	2.1
101.02436	9.2
104.05060	3.1
106.06614	7.9
108.02203	0.9
109.02968	4.7
113.02444	5.8
119.03506	7.4
119.05023	0.8
120.04523	0.9
121.02959	15.2
122.03741	9.2
122.06097	3.1
123.03235	1.6
123.04515	1.6
124.07671	11.2
129.03416	0.9
132.04550	60.8
133.05354	34.2
134.03720	0.8
134.06160	11.5
135.04521	2.0
136.05333	1.1
137.02478	2.0
146.02565	0.9
146.03731	1.2
146.06146	1.2
147.04514	8.9
148.04015	3.1
148.05136	0.9
149.06030	1.7
150.05600	2.6
153.09277	1.4
154.02705	1.6
161.04721	0.9
161.06078	2.6
165.04292	32.4
165.05576	16.3
166.04620	1.3
176.03459	1.4
176.07164	1.1
177.04301	5.3
178.05055	3.3
179.05641	1.4
179.07130	6.4
183.10204	0.9
184.07643	1.5
186.09212	7.6
187.08781	1.2
197.08043	0.8
198.09250	1.7
209.03331	7.3
213.06705	4.8
214.12360	11.1
215.11885	11.1
216.12183	0.9
219.57260	1.0
226.07535	1.2
227.08037	0.9
229.09773	5.6
238.08458	0.9
240.10381	1.3
241.09746	5.1
255.11417	1.7
257.12930	44.0
258.13232	3.6
283.10837	14.2
284.11099	1.1
295.51208	0.9
301.11905	33.0
302.12466	3.8
302.15433	0.9
315.12311	1.6
327.09756	3.2
345.10880	100.0
345.15363	8.2
346.10498	9.5
346.14835	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	345.1552
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
53.15357	0.8
57.03433	1.4
58.00582	2.5
59.01377	53.5
70.98682	2.1
71.00996	1.9
71.01376	32.9
71.78292	1.0
72.99296	5.7
73.37098	0.9
83.01372	2.4
85.02934	4.6
87.00859	2.1
89.02437	24.7
95.01364	2.9
96.95983	3.5
101.02433	20.3
113.02453	10.9
119.03505	12.2
119.04984	1.1
120.99654	11.3
121.10230	36.1
131.03456	1.1
137.09698	8.7
143.03516	1.3
157.55933	1.2
161.04562	1.4
165.09200	65.3
166.09520	3.1
183.10246	36.7
184.10602	2.4
199.00768	1.2
304.19510	1.1
309.07715	1.1
345.10220	4.1
345.15497	100.0
346.15912	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	345.2279
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.19552	0.6
57.03431	1.9
59.01363	1.7
67.54726	0.6
70.78180	0.5
71.05037	0.6
71.14503	1.1
72.28908	0.6
74.24854	0.6
75.00863	2.2
96.96006	0.8
97.06612	0.7
123.08166	0.8
125.09687	2.1
127.11269	1.5
128.05544	0.5
139.11284	1.6
141.12852	0.6
142.32423	0.5
155.10741	0.7
165.09160	0.7
171.10240	2.1
201.11334	0.6
247.20642	11.7
248.20851	1.3
263.19876	0.7
265.21707	8.7
266.22073	1.2
273.18561	1.4
283.22681	1.5
287.18646	1.9
291.19583	5.1
299.97971	1.5
301.23792	0.8
309.20691	13.5
310.21045	1.4
315.00458	3.1
327.21741	19.7
328.22046	1.8
330.02771	2.1
345.05112	2.0
345.22781	100.0
346.23120	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	346.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59861	0.4
59.01374	14.0
59.19368	0.4
60.01715	1.3
61.68593	0.4
61.98828	100.0
71.05235	0.9
72.14229	0.4
74.38138	0.4
97.89902	0.4
98.19949	0.5
128.34813	0.4
153.94954	0.4
158.03703	0.8
186.22969	0.4
201.02579	1.8
202.02728	6.3
203.02255	7.7
203.99977	49.4
204.02669	2.3
205.00166	3.5
346.01108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	1.2
61.98820	2.9
71.01380	12.2
71.51628	0.9
71.55936	1.9
73.02943	2.8
74.99104	1.3
85.02950	3.2
89.02436	5.4
96.96007	2.7
97.02957	1.7
99.00896	1.4
99.70936	0.9
101.02447	8.4
102.98591	1.0
113.02460	6.0
119.03571	0.9
119.05022	3.0
120.99650	13.8
122.06073	1.2
124.03986	0.9
125.02457	7.0
135.04489	1.4
136.99104	1.1
143.03494	1.3
150.05547	1.1
155.07161	0.9
159.02959	1.6
161.04573	11.3
165.01918	0.9
167.05493	1.3
167.07109	1.0
198.07719	1.2
285.12433	1.4
330.99271	1.0
347.13321	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	347.1346
Annotation	Angeloside
Peak:m/z	Relative Intensity
55.01862	3.0
57.03432	2.6
58.00582	2.9
59.01376	72.5
61.98806	2.8
70.12220	3.1
71.01379	50.6
71.67025	1.0
71.73723	1.0
72.99306	4.4
73.02933	6.5
74.99093	1.1
83.01391	6.1
85.02939	15.6
87.00877	3.1
89.02441	39.4
95.01402	2.7
96.95950	1.1
97.06572	1.6
99.00873	3.6
101.02435	38.2
102.02814	1.7
108.54976	1.0
112.01598	1.3
113.02444	21.9
119.03494	18.0
119.04969	2.0
121.06574	1.0
123.08162	2.8
125.02427	1.1
131.03474	1.4
141.09148	1.3
143.03510	2.4
159.02936	2.5
161.04538	7.2
167.07045	2.5
177.05562	3.3
179.05624	1.8
211.70311	1.1
303.14319	2.2
311.07581	2.7
329.12305	1.8
347.13428	100.0
348.13748	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	348.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01716	1.2
61.98823	1.2
71.59280	1.1
99.02853	0.7
174.46439	0.8
221.77205	0.8
352.99283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
60.12745	0.1
61.98827	100.0
62.98534	0.4
63.99245	0.3
69.84005	0.7
86.14854	0.2
92.66208	0.2
98.19918	0.1
136.93944	0.2
162.98450	1.5
164.96327	0.4
204.00006	0.6
205.00082	1.5
205.99725	2.4
206.97438	68.0
207.93369	0.6
207.97531	5.7
228.16951	0.2
348.98553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
61.98825	91.0
62.98538	1.5
63.99252	2.0
68.57220	0.7
70.10371	3.3
71.01386	1.7
71.59502	0.7
73.25731	0.6
98.19989	0.9
102.08633	0.6
117.24615	0.7
129.01399	1.2
130.99303	21.6
145.00873	4.9
146.98798	2.3
155.02937	1.0
157.00883	4.8
161.00366	1.5
162.98479	1.1
163.94464	1.2
170.98782	4.0
171.02458	3.5
173.00352	29.5
174.98265	22.4
175.98538	0.9
176.98036	1.1
182.98737	2.0
188.99838	4.3
198.98271	1.0
199.01904	1.7
200.99840	17.5
202.97762	29.2
203.98192	1.2
203.99998	2.5
205.00102	6.5
205.99719	9.2
206.97429	36.4
207.00235	2.4
207.93378	4.0
207.97536	2.6
214.23758	0.7
215.01396	15.7
216.99265	7.9
232.98795	10.6
243.00853	1.1
244.98799	100.0
245.99095	4.5
259.00244	3.4
266.61435	0.8
280.97760	1.1
281.47876	2.2
286.99811	4.7
288.97815	6.2
292.67313	0.7
330.98807	9.5
348.99866	29.5
350.00299	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	349.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	23.4
66.33986	4.4
71.01383	17.9
89.02459	12.2
90.73623	4.4
91.52715	4.3
91.66990	4.3
98.20585	11.4
100.41490	4.4
101.02443	16.7
113.01555	4.9
113.02458	6.1
149.04565	5.9
151.06114	12.7
179.05598	9.5
313.11386	100.0
314.11819	7.2
349.09241	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	349.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.6
61.98828	100.0
71.01377	7.3
71.59287	1.8
73.15833	1.4
75.00854	2.3
80.96478	1.5
85.02950	2.4
87.00840	1.4
88.43177	1.3
89.02448	3.2
96.55246	1.5
96.96006	8.5
97.12461	1.4
99.04560	1.6
101.02447	3.5
113.02395	2.6
120.99656	1.7
137.02481	1.5
138.05560	1.5
151.03963	3.2
169.08714	3.5
280.60907	1.5
289.07193	2.6
349.09552	2.3
349.14099	4.8
349.18796	3.7
369.65488	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	349.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52656	1.1
59.01105	1.3
59.01377	16.2
61.98823	2.4
65.99847	2.6
69.26942	3.1
69.27360	8.8
71.01374	6.9
73.02966	3.4
74.51672	1.4
82.02964	12.7
83.01410	1.2
85.02954	3.3
89.02440	4.6
96.96020	4.4
99.00867	1.5
101.02455	4.0
106.02989	4.8
107.05001	2.0
108.04552	1.5
113.02417	2.8
119.03504	1.7
122.03755	1.3
122.06087	1.9
135.04524	1.6
136.03981	2.7
138.05602	9.7
146.09776	2.1
148.07715	2.0
149.03638	2.6
149.04800	2.7
151.03957	1.2
161.04660	1.6
161.86749	1.3
163.05151	3.3
164.03535	29.6
169.08740	2.4
174.05605	2.4
176.10863	3.8
188.07190	2.5
190.08748	29.1
191.04625	25.6
191.08281	4.2
192.04977	1.7
195.06577	2.0
201.09190	1.2
202.08672	6.0
204.05351	1.5
205.06183	2.0
217.06117	9.5
218.11838	31.9
219.07762	2.4
219.11511	3.0
221.93309	1.2
229.06059	2.1
231.07715	7.2
233.09279	80.5
234.07596	1.3
234.09671	5.7
242.11487	1.1
244.04857	14.7
244.09848	8.5
245.09276	17.9
246.09743	1.8
258.06348	5.9
259.07205	30.0
260.07544	2.5
261.12402	17.8
263.10394	2.0
271.07205	21.7
272.07861	3.7
277.08298	6.2
277.84207	1.2
287.10373	47.3
287.13562	2.7
288.10666	4.9
305.11435	11.1
305.73996	1.2
331.09344	50.1
331.12967	3.4
332.09634	6.1
336.44312	1.2
349.06473	3.6
349.10403	100.0
349.14737	13.7
350.10678	8.9
350.14688	2.2
361.30777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.03215	0.6
53.22371	0.5
55.01865	1.0
57.03417	0.6
58.00583	0.9
59.01376	29.2
60.01709	0.6
66.00175	0.5
70.65056	1.0
70.65421	1.3
71.00996	1.1
71.01376	18.1
72.99289	2.0
73.02936	1.3
83.01357	1.8
85.02947	4.7
87.00876	2.1
89.02437	14.0
92.72802	0.5
93.07162	0.5
95.01350	1.8
96.95990	0.9
101.02436	13.1
113.02449	6.7
119.03504	5.6
135.26672	0.6
139.11276	1.0
141.12851	26.7
142.13142	1.3
169.12328	5.0
171.13892	1.1
183.13834	1.8
187.13380	55.6
188.13763	3.1
229.14378	1.6
349.18622	100.0
350.18976	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	351.0178
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
63.02396	3.4
65.00316	5.3
65.00626	0.5
71.36785	0.6
77.65135	0.3
83.01389	3.6
93.03449	7.5
96.37299	0.4
107.01386	12.5
108.01718	0.8
119.05019	31.3
120.05392	1.1
121.02988	0.5
145.02954	0.6
151.00360	41.6
152.00729	1.4
161.06041	0.4
165.01921	1.8
169.01369	0.7
177.01909	5.8
184.61595	0.3
185.06087	0.6
186.55019	0.3
187.04012	0.7
227.07114	0.9
271.06094	100.0
272.06427	10.0
317.89288	0.3
351.01743	15.8
352.02020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.1
59.01378	73.6
60.70284	1.6
61.98829	22.8
69.57759	4.0
69.58160	9.8
71.01376	12.9
72.99309	2.0
73.02946	7.1
83.01384	7.8
85.02960	6.6
85.64412	1.6
87.00887	2.4
89.02440	9.2
89.27985	2.0
96.96028	10.7
99.00883	3.1
101.02448	8.1
102.98631	2.4
109.02975	4.2
113.02454	5.7
113.04303	3.4
119.03481	2.7
120.99612	2.8
125.02442	5.2
125.04353	1.8
138.05600	3.1
149.02353	2.4
151.00375	10.2
153.01927	100.0
153.05548	3.8
154.02249	5.8
161.04529	4.6
189.11339	3.0
193.03546	4.9
195.02979	3.9
210.73987	1.5
214.97610	1.9
237.09781	4.4
249.91077	1.8
253.04945	2.2
289.11713	2.7
291.14417	4.2
307.12720	2.6
315.07224	30.8
315.10635	1.6
316.07422	4.0
351.11987	7.4
351.16669	10.7
351.20093	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
58.00587	0.8
59.01376	15.5
60.01702	0.8
61.98828	40.6
69.03457	1.0
69.44271	2.8
69.44694	2.7
70.28065	0.7
71.01379	13.7
72.99297	4.7
73.02944	1.5
75.00869	12.6
83.01381	1.0
85.02951	15.6
87.00882	7.4
89.02456	3.6
95.01374	3.9
96.96027	1.0
99.00871	8.4
101.02438	0.6
101.06078	100.0
102.06425	3.1
103.00340	1.3
111.00951	1.0
113.02451	21.6
115.00379	1.6
117.01936	2.3
129.01929	1.5
139.00360	0.8
156.18172	0.6
157.01486	0.8
175.02470	1.8
231.05072	1.5
249.03740	1.3
249.06166	15.0
267.07138	1.8
272.62814	0.7
333.11841	3.0
351.12946	76.7
352.13266	8.2
357.10770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28861	0.6
52.22081	0.5
52.66051	0.6
52.66307	0.6
53.59328	0.5
53.69115	0.6
55.01870	1.7
57.03417	0.8
58.00575	0.8
59.01379	61.1
60.01714	0.9
61.98823	1.2
71.01383	15.1
71.61201	0.7
72.99319	0.9
73.02942	9.0
74.99113	0.7
75.00854	1.2
76.73660	0.6
80.96513	0.7
83.01387	4.0
85.02959	7.8
87.00877	1.8
87.04516	3.7
89.02443	5.8
95.01385	0.7
96.96004	3.0
97.02940	0.7
98.64268	0.6
99.00883	2.2
101.02444	15.3
101.06064	1.3
103.66734	0.6
111.00889	0.8
113.02448	6.4
113.09698	1.0
114.91247	0.6
115.03996	0.8
119.03505	1.3
143.03456	0.7
143.10754	1.6
153.05635	1.0
158.06128	0.8
159.02992	1.0
161.04518	3.2
161.07152	0.7
166.93471	0.7
171.10245	2.1
189.06627	1.1
189.11281	9.6
203.12842	2.7
209.06053	0.6
215.43698	0.6
215.69856	0.6
237.09830	1.8
253.04997	2.3
271.06070	0.7
291.14340	4.0
307.12775	1.8
333.15506	4.2
351.16571	100.0
352.10406	0.9
352.16882	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	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
66.98238	0.6
69.26644	5.7
80.81164	0.5
98.47948	0.6
109.06203	0.6
365.39838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.9
60.01719	1.0
60.03462	0.5
61.98827	100.0
64.92698	0.5
71.01387	2.7
71.60526	0.5
71.84392	0.4
72.31850	0.5
72.99319	0.8
73.02941	1.2
73.51068	0.5
75.00878	0.9
85.02951	2.2
87.00877	1.5
89.02445	1.4
93.03457	1.5
96.96010	1.2
97.02972	0.5
99.00890	1.2
101.02461	1.8
101.06047	3.1
102.06434	0.9
111.00919	0.6
111.04556	0.7
113.02474	1.5
113.14457	0.5
119.05031	0.6
131.07130	0.7
132.04549	1.8
135.04518	3.7
149.86298	0.5
158.06155	0.8
161.04610	0.5
164.04784	0.5
167.03517	0.8
173.04555	4.5
176.03571	0.7
179.03497	3.4
191.03810	0.9
191.05573	4.5
193.12175	0.4
204.06664	0.7
205.05066	1.2
213.81036	0.5
221.08551	0.5
233.04584	1.2
241.34843	0.5
248.05711	0.6
261.40820	0.5
293.16293	1.6
308.13123	0.7
352.07123	0.5
352.13135	2.9
352.17157	2.3
353.08670	2.3
353.12714	1.5
353.16721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
62.10436	0.6
73.98210	0.5
79.95737	8.3
80.96527	1.1
91.33981	0.6
95.95233	5.1
96.96004	85.8
138.97070	0.7
140.62067	0.6
147.44650	0.6
152.00235	3.5
194.92743	1.0
194.95509	0.8
200.28339	0.7
216.93326	0.6
284.37350	0.6
308.18945	2.6
340.22409	0.6
352.21606	100.0
352.91382	0.9
353.22037	9.9
369.04453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.0
61.98819	2.6
70.12293	0.9
70.47858	1.2
70.48183	2.3
71.01379	8.9
72.99305	2.0
73.02936	5.0
75.00860	2.5
85.02946	2.9
85.23897	1.0
87.00865	1.3
87.04497	1.1
89.02447	6.1
93.03439	1.3
94.77827	1.0
96.95998	3.8
101.02454	5.0
113.02419	2.2
115.03993	1.1
119.03467	1.4
123.04517	6.1
131.06197	2.1
131.07117	4.8
135.04535	4.4
146.04839	12.7
147.05637	63.6
148.05991	3.0
153.05571	10.1
161.04521	1.3
161.07191	39.9
162.07439	2.3
167.10689	1.1
173.04565	1.2
174.04240	2.1
174.05611	1.2
175.05115	60.7
176.05437	4.1
179.03447	3.3
189.06680	40.0
189.90918	1.1
190.06999	1.7
191.05669	11.8
194.92702	1.4
215.08105	1.3
219.04048	7.2
233.05687	10.9
237.09795	1.5
260.40292	1.2
309.10840	2.4
315.10776	4.1
325.10074	1.3
353.09842	100.0
354.10165	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	354.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08542	0.7
79.95731	7.3
81.73351	0.6
142.06616	100.0
143.06982	7.1
158.06113	4.1
186.05643	2.1
195.80707	0.7
211.87288	0.7
222.02275	50.5
223.02612	3.8
238.01747	5.6
258.72028	0.9
266.01389	3.5
354.06494	16.4
355.06897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01383	6.2
61.98817	3.9
69.50039	4.4
69.50443	2.3
69.93173	0.9
70.60613	1.0
71.01375	3.6
72.10291	0.8
72.99318	1.9
73.02942	3.8
75.00866	2.2
80.41973	0.9
83.01383	3.4
85.02950	4.1
87.00889	3.6
96.71220	0.8
96.96008	2.3
98.92675	1.1
99.00811	1.1
101.02415	1.1
115.00363	6.5
161.06055	4.6
163.04031	1.1
164.04828	1.4
174.01685	56.5
175.02446	6.1
175.03891	1.6
179.07094	3.2
193.01436	1.1
193.05045	1.1
205.04935	1.0
209.08179	1.3
233.25163	1.0
235.06068	1.1
237.07646	2.5
265.07242	7.3
295.08148	13.8
296.08466	1.3
355.10312	100.0
356.10745	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
56.56222	0.4
59.01376	8.8
61.98846	0.6
67.54890	0.4
69.76234	2.2
71.01389	4.4
73.02938	0.5
85.02956	1.9
87.00878	0.6
89.02451	3.1
96.96029	0.8
97.02952	0.4
101.02437	2.2
113.02447	2.1
119.03508	1.2
132.02165	11.9
133.02530	0.7
134.03734	8.1
137.06163	0.5
147.04462	0.6
149.06067	1.9
151.04033	0.9
160.01648	65.8
161.01984	3.7
161.04593	0.4
174.54349	0.4
175.03986	100.0
176.04352	5.8
177.01953	0.5
191.07115	1.9
193.05037	19.4
194.05280	1.0
202.02817	0.8
207.06563	0.6
217.05057	4.8
235.06111	3.4
265.07092	1.0
295.08069	1.9
355.06152	0.8
355.10339	9.8
355.14197	0.9
356.10477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01365	2.1
61.95603	1.0
61.98827	1.9
63.21184	1.2
69.48756	3.2
69.49186	5.0
72.12363	1.2
76.56172	1.1
84.13283	1.3
85.02960	1.3
104.89017	1.2
109.02955	1.7
111.00857	1.5
122.03720	11.0
127.07637	2.3
135.04523	28.3
136.01624	2.9
136.04819	1.8
147.08171	3.1
149.06053	1.2
149.09715	8.7
151.07640	3.0
154.02773	3.0
161.09727	9.3
163.07603	3.9
163.11282	62.0
164.08414	16.8
164.11588	3.0
165.09204	6.3
177.09198	82.1
178.09970	25.3
179.10767	80.9
180.11122	4.8
183.10179	2.2
191.10796	12.8
193.08682	7.2
197.37018	1.1
265.12186	2.3
280.14761	4.2
298.15720	55.3
299.15982	3.8
307.16928	2.5
309.22104	1.3
312.13861	1.6
313.21750	1.5
321.18527	1.5
337.17627	2.6
337.21722	54.9
338.21927	8.1
340.20404	97.6
341.20776	13.0
355.22754	100.0
356.19147	2.1
356.23071	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	355.285
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
56.25318	0.3
57.03440	0.4
59.01368	0.5
61.98826	0.5
70.97431	1.1
79.16267	0.3
89.55901	0.3
104.55781	0.4
107.83268	0.3
265.25403	0.7
291.26935	0.8
293.28479	65.4
294.28790	8.3
311.29547	1.7
337.27429	18.1
338.27820	2.7
355.28488	100.0
356.28860	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	356.0983
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
52.60571	0.3
53.31223	0.3
59.01379	2.1
69.24860	2.8
71.01376	1.0
74.12165	0.3
76.31958	0.3
85.02958	0.8
93.85652	0.3
96.81075	0.3
98.19901	0.5
101.02435	0.6
106.06622	100.0
107.06952	4.0
108.04539	0.3
108.08190	5.9
113.02420	1.6
118.06632	0.6
120.08185	0.7
121.75459	0.3
130.06654	0.7
131.03764	1.5
132.04482	0.3
134.06114	0.4
146.06096	0.9
150.05602	51.4
151.05975	2.0
164.07162	9.3
165.07433	0.7
174.05623	1.0
192.06660	6.3
193.06989	0.5
194.04575	29.1
195.04935	1.8
236.05594	4.4
242.09215	0.3
246.01205	0.3
254.78333	0.3
266.06537	0.4
285.11243	0.3
296.07730	3.9
341.10284	1.3
356.09744	10.0
357.10156	0.9
372.11957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78286	0.3
55.94363	0.3
61.98841	0.8
69.61587	2.4
81.41048	0.4
85.02937	0.6
85.48798	0.3
86.49918	0.4
89.86672	0.3
98.19858	0.4
107.03757	0.9
108.04553	100.0
109.04182	0.6
109.04884	4.2
120.99644	0.5
123.04501	0.4
132.04526	0.5
150.05597	93.7
151.05948	3.9
181.68257	0.3
295.99191	0.4
356.09967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55736	0.4
56.98030	1.1
59.01375	5.6
61.53729	0.5
61.98827	100.0
70.10488	1.8
71.01381	3.6
71.80907	0.6
72.96223	0.5
74.99100	0.7
83.01391	1.0
85.02962	0.7
85.06604	0.8
86.90919	0.5
89.02431	3.9
96.96010	1.4
101.02444	2.0
108.04547	3.8
113.02427	0.9
118.98123	0.8
119.03470	0.6
120.99644	0.5
123.04533	3.6
126.91027	0.5
131.07129	5.7
134.02475	1.2
135.04491	0.6
150.05568	4.5
151.04013	1.4
153.05565	4.6
162.03223	1.1
163.04057	0.6
171.60184	0.5
174.01651	1.1
180.04196	1.5
191.17392	0.6
193.01195	0.7
194.01730	1.1
195.03018	1.5
195.06619	2.6
211.94548	0.5
215.56055	0.6
251.07675	1.1
293.12411	17.0
294.12869	1.8
301.07401	0.7
356.10489	3.3
356.14493	0.8
357.07922	0.7
357.11874	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	356.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83614	0.4
52.83128	0.4
59.01368	0.9
59.88217	0.5
61.98827	100.0
70.45956	0.7
70.46318	1.4
94.42377	0.5
95.55761	0.4
190.05136	0.6
193.55865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0612
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.69844	0.2
52.13436	0.3
57.11612	0.2
59.01379	0.3
64.69129	0.3
65.52070	0.3
70.53696	0.3
77.03953	0.3
79.59718	0.3
79.95729	0.5
93.03466	0.5
98.19855	0.7
112.68063	0.3
121.02949	100.0
122.03284	4.5
144.04468	0.3
144.57611	0.3
144.97537	0.3
149.06087	0.4
165.01910	1.4
179.04947	0.3
180.05777	1.1
181.06583	6.1
182.06854	0.3
192.52745	0.3
225.05556	5.3
226.05835	0.5
313.07153	8.1
314.07388	1.1
314.10632	0.3
357.06125	41.3
357.13489	1.2
357.26529	0.7
358.06458	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	357.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54879	1.8
59.01378	7.2
70.71973	4.4
70.72310	1.6
71.01382	4.2
75.00877	2.0
85.02944	3.7
87.00874	23.9
89.02440	3.9
99.00875	4.2
101.02469	3.7
105.01929	25.1
119.03511	2.0
123.04556	2.2
133.43912	2.5
139.34630	1.6
147.03020	4.0
158.38933	1.6
165.04042	100.0
166.04343	3.4
177.01945	6.0
195.02962	3.1
222.51147	2.0
225.04465	1.9
294.37537	1.8
297.11917	4.7
357.08411	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	357.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11631	1.5
54.55148	1.8
57.30030	1.5
57.42060	1.5
58.70646	1.6
59.01377	3.9
62.28716	1.4
64.52502	1.5
64.59858	1.6
68.85616	1.5
70.26227	1.5
71.01383	3.4
71.34975	2.9
75.00848	2.4
85.02959	2.2
87.00875	23.8
89.02436	2.0
90.72114	1.4
99.00866	4.5
101.02454	3.2
103.09115	1.6
105.01930	20.3
113.02470	1.5
121.02982	2.2
142.09688	1.9
147.02992	2.3
165.04031	100.0
166.04395	3.6
357.09924	3.3
369.02338	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	357.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.4
55.26233	0.4
58.00587	0.7
59.01382	10.8
71.01373	6.4
71.13458	0.7
72.99303	0.6
83.01391	1.1
85.02945	2.1
87.00871	1.5
89.02441	3.8
93.03487	0.9
95.01392	1.2
95.05060	0.6
96.95989	0.6
101.02425	2.8
105.03453	1.6
108.02206	0.6
108.04557	1.0
109.02925	0.5
113.02448	2.1
116.05036	1.2
119.03513	0.8
121.02942	2.2
122.03711	1.4
123.04524	14.4
124.04858	0.7
132.02141	0.6
133.02950	14.0
135.04514	0.6
136.01720	0.6
137.02441	0.8
149.02448	5.2
150.03206	2.8
150.05661	0.7
151.04010	10.2
151.05875	1.0
152.04276	0.6
153.05554	0.9
161.02438	0.8
164.04768	1.5
165.01909	2.8
165.05571	5.3
165.06897	0.7
177.01920	100.0
178.02255	5.9
180.04237	1.3
187.77164	0.5
194.15192	0.5
195.01183	0.9
195.02983	19.3
195.04765	0.8
195.06491	2.4
196.03267	0.9
210.44728	0.5
224.24739	0.5
268.02823	0.6
299.07587	0.9
299.68268	0.4
357.08228	61.6
358.08813	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	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.01004	0.5
55.01862	0.6
57.03445	1.0
58.00576	1.2
59.01378	34.8
60.01696	0.6
61.98801	1.1
68.03889	0.5
69.24252	1.4
69.24653	4.0
71.01376	17.9
72.99313	1.3
73.02948	0.5
83.01378	2.1
85.02950	2.8
87.00857	0.9
89.02448	18.5
91.42419	0.5
95.01393	2.0
96.96021	1.2
101.02447	11.3
108.02166	0.9
113.02444	6.6
119.03499	7.8
120.99654	3.6
123.04524	0.8
124.01606	0.6
134.03731	1.8
135.04485	0.7
137.02438	1.1
143.03496	1.1
149.04532	0.7
151.03969	2.1
152.07178	2.3
152.90488	0.6
153.35213	0.6
161.02411	2.6
162.03215	64.4
163.03766	4.9
177.05557	100.0
178.05920	6.2
179.03513	1.0
179.05566	1.0
180.04259	7.9
194.05817	0.8
195.06601	14.2
209.04520	0.7
254.59969	0.6
357.07898	0.9
357.11966	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	357.1188
Annotation	Junipetrioloside A
Peak:m/z	Relative Intensity
55.01871	2.9
57.03429	2.3
58.00586	1.9
58.29959	0.7
59.01376	51.0
61.98817	2.1
68.99826	1.0
69.03455	1.3
71.01376	54.4
71.61482	0.8
72.01719	1.0
72.99293	2.7
73.02943	11.3
74.21496	0.7
75.00861	1.5
79.95722	1.4
83.01382	6.6
85.02949	19.1
87.00864	3.2
89.02438	31.5
90.02771	0.7
93.03454	23.9
94.03783	0.9
95.01374	5.5
96.96014	4.3
97.02962	1.3
99.00854	4.1
99.86816	0.8
101.02441	34.8
102.02779	1.3
108.02165	1.2
110.51069	0.7
111.24599	0.8
113.01698	1.6
113.02444	22.0
117.30433	0.9
119.03499	12.7
120.03806	1.0
121.02920	1.4
123.04460	1.2
125.02462	1.7
129.01955	0.9
131.03436	1.1
133.10211	0.8
136.01637	2.8
137.02435	68.9
137.09760	1.0
138.02779	2.7
139.55368	0.8
143.03529	2.3
147.04454	1.1
149.04643	0.9
153.05528	0.9
159.02917	2.0
161.04538	15.7
174.20389	0.8
177.09201	8.9
179.01794	0.7
179.05608	3.2
183.10284	1.6
191.03410	1.0
195.06624	1.0
195.10228	3.2
221.04501	1.8
235.16280	0.7
237.09821	1.4
239.09297	1.8
261.03912	1.0
281.06604	2.0
281.93939	0.8
303.05136	1.2
308.50583	0.7
321.15549	4.8
357.11847	100.0
357.15356	4.9
358.12091	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.00585	1.3
59.01377	34.6
69.38059	6.7
69.38592	0.7
71.01002	1.1
71.01380	21.4
72.99294	2.2
73.02943	1.0
83.01390	1.7
84.04572	0.9
85.02938	3.9
87.00842	1.3
89.02439	18.1
95.01369	2.3
96.95994	2.2
101.02435	12.9
108.02192	1.2
111.93462	0.8
113.02434	7.8
119.03507	7.7
120.99677	4.2
121.00374	0.8
123.00881	1.1
134.03708	2.1
143.03473	0.9
151.03999	2.6
152.07147	4.4
153.05568	1.4
161.02408	2.0
162.03214	64.4
163.03867	4.2
177.05553	100.0
178.05898	6.0
179.05539	1.7
180.04301	8.1
181.04817	0.9
194.05756	1.3
195.06599	17.0
223.05908	0.9
269.04465	0.9
285.07254	1.0
357.07959	1.2
357.11887	3.3
358.11874	0.8
375.41098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.9
61.98817	1.7
69.77132	2.5
71.01381	1.9
73.02966	0.7
83.01376	0.5
85.02956	1.0
87.00901	0.7
89.02445	1.2
93.03457	3.2
96.96022	0.7
98.20659	0.4
101.02466	1.3
108.02175	4.4
108.04559	9.3
109.02940	1.8
109.04885	5.4
113.02444	1.0
116.05078	0.8
123.04532	2.0
131.46127	0.5
132.04567	0.5
133.04912	0.6
135.04526	100.0
136.04860	5.3
137.06166	0.6
150.05608	6.0
150.06865	15.6
151.04031	0.6
151.05980	7.1
151.07257	1.1
152.01117	2.3
152.06079	0.5
153.01994	0.8
153.05608	0.8
161.04555	1.4
162.03261	0.5
165.05571	0.5
167.27917	0.4
169.28349	0.4
176.03468	0.8
177.03915	1.3
177.05547	1.1
178.05087	1.6
193.08707	0.8
195.03064	0.5
195.06635	1.7
328.71066	0.6
357.08084	3.4
357.11838	2.5
358.06055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	52.7
61.98826	100.0
62.98557	4.1
64.49586	3.8
64.91995	3.2
71.01392	36.8
71.57439	4.6
75.00869	6.2
80.93222	3.4
83.01393	4.5
85.02957	10.1
87.00878	5.9
88.04047	4.3
89.02465	34.7
99.00874	3.9
101.02449	26.5
108.02174	10.1
113.02417	14.9
118.51820	3.2
119.03482	14.7
123.04528	6.2
131.03493	3.3
135.06647	18.3
160.06174	21.7
161.04515	7.7
164.69226	3.4
165.04019	8.0
173.35548	3.8
179.05598	10.6
179.58916	3.7
195.02814	4.3
212.65758	4.0
297.11893	91.8
298.12286	6.1
333.27023	4.2
335.20004	3.8
357.08609	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07495	0.5
55.01870	0.8
57.03444	0.6
59.01376	100.0
60.01721	0.8
68.52212	0.6
71.01377	8.2
73.02950	2.5
83.01397	1.6
85.02953	3.5
87.00913	1.0
89.02431	1.0
95.01403	0.8
96.95998	1.5
98.20680	1.1
99.00883	1.4
101.02451	4.5
107.31355	0.7
107.82303	0.6
111.14256	0.6
113.02418	3.8
125.09649	0.9
143.03496	0.7
159.02963	0.9
161.04562	3.8
173.11913	0.7
188.38101	0.7
285.20981	0.9
297.12045	0.6
315.18204	1.7
348.55692	0.7
357.13605	2.1
357.19376	3.4
357.26489	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	358.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78455	0.4
59.01379	2.9
61.08476	0.4
67.73396	0.4
70.62113	1.3
71.01389	2.1
85.02943	1.1
85.53674	0.4
89.02437	1.0
95.01343	0.5
96.96004	0.9
101.02456	0.8
108.08186	100.0
109.08509	4.0
113.02442	1.8
119.04953	0.4
120.08199	1.3
124.04070	0.7
132.08208	2.1
134.06126	0.8
135.02913	0.7
135.04520	0.8
136.07584	0.6
147.03278	2.6
148.04115	0.7
148.07687	2.2
152.07159	70.1
152.59174	0.5
153.07510	3.4
163.03963	0.6
164.07169	1.0
166.08719	16.0
167.09059	1.2
175.03941	2.3
175.95551	0.5
176.07159	1.1
179.07068	0.9
180.04347	0.6
180.07904	0.8
190.06340	0.9
191.07202	1.1
194.08202	8.8
195.08553	0.8
196.06137	65.1
197.06438	3.1
205.08630	1.5
208.07410	1.0
223.09718	2.3
227.04533	1.0
238.07182	10.8
239.07402	0.8
243.07709	3.9
255.07761	1.1
268.08118	0.8
271.10892	0.9
280.08182	0.5
298.09280	6.4
299.09308	1.1
315.09778	0.9
344.12485	0.5
358.11353	9.4
358.15533	0.8
359.08554	5.7
359.15265	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	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78065	25.3
54.27218	27.9
59.01379	100.0
66.11778	23.0
68.98550	23.6
71.01371	27.7
71.32176	26.0
75.47729	22.6
80.27247	27.0
89.02453	30.9
139.55513	24.0
298.27875	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	18.1
61.98827	7.3
68.15656	2.2
71.01383	8.5
71.13840	3.7
73.02941	2.3
74.15974	2.1
74.99149	1.9
83.01378	2.4
85.02912	3.6
89.02448	4.7
93.03460	9.6
96.96021	14.6
99.00882	10.4
101.02463	5.0
109.02934	10.4
110.67389	2.2
113.02427	3.5
117.03443	5.2
118.98049	3.7
119.03481	2.4
119.04993	6.2
120.99662	8.2
124.15339	2.1
131.05000	6.1
132.05814	3.7
133.06494	3.9
135.04500	3.3
138.05553	2.7
140.01112	2.7
143.04993	4.0
145.03018	3.4
145.06590	4.5
147.04510	39.6
149.06102	3.9
152.04868	2.4
153.05475	2.6
157.06557	3.4
159.04480	5.5
160.05244	2.2
161.06056	6.7
169.06552	6.4
173.06030	12.6
175.03999	9.4
175.07626	3.1
177.05565	4.9
178.02686	4.7
182.19426	2.2
187.07634	23.3
189.05585	29.3
191.07094	8.7
196.03758	9.9
201.05606	11.4
203.03430	4.3
205.05052	12.7
219.06595	24.8
220.07019	2.3
221.04538	19.6
235.06061	3.0
240.04300	3.0
241.04950	7.2
255.06612	3.1
261.07620	6.2
263.05563	41.7
264.06021	3.4
279.08682	6.4
299.09338	2.6
313.10690	2.9
323.07697	100.0
324.08069	14.1
344.12540	6.9
359.04599	21.7
359.08893	11.1
359.14645	20.7
371.16217	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	359.098
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.95853	0.7
59.01388	3.3
68.65681	0.8
71.01366	1.9
71.51316	0.7
71.51665	0.7
72.99306	0.9
79.75579	0.6
83.01379	0.7
89.02433	0.8
93.81384	0.7
96.95992	3.2
99.04446	0.7
101.02390	1.0
109.02932	4.6
109.06606	0.7
113.02402	1.6
120.99609	1.8
123.04572	1.1
124.01640	0.7
137.02406	0.9
138.03207	6.8
146.81154	0.7
151.03986	6.6
152.04787	22.6
153.05569	24.3
154.05859	1.1
159.04491	2.1
159.10394	0.7
161.06100	1.3
165.05579	1.3
166.02634	0.9
173.06036	1.1
176.66975	0.7
178.02695	38.0
179.03235	2.4
182.20143	0.7
189.05466	1.4
191.07166	0.9
196.03746	94.4
197.04224	6.2
198.04980	0.7
199.15016	0.7
240.04216	1.2
241.04977	3.3
255.06641	2.7
269.08282	0.9
295.41721	0.8
299.09256	2.6
313.07379	1.4
313.10822	2.8
329.10333	2.0
341.08755	3.7
344.08914	1.2
344.12509	5.7
345.12796	1.0
359.09866	100.0
359.14902	15.0
360.10245	11.2
360.15146	1.5
377.73157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.30152	1.1
55.01878	3.0
57.03438	3.6
58.00592	3.3
59.01376	100.0
61.98820	5.2
70.16826	5.1
71.01377	72.2
72.01727	1.4
72.97539	2.5
72.99307	6.6
73.02946	7.5
83.01384	5.9
85.02942	19.2
87.00864	5.7
89.02443	42.0
89.53424	1.1
90.69653	1.3
95.01376	5.9
96.96023	2.3
98.20564	1.6
99.00871	2.6
101.02439	42.6
108.04565	6.3
109.02954	3.1
109.04874	4.6
110.05038	1.1
113.02442	25.8
116.05016	1.2
119.03497	19.0
119.05009	2.6
120.99659	3.9
121.02943	7.7
121.06584	1.5
122.03726	7.5
123.00890	2.2
123.04525	2.0
125.02396	2.5
131.03464	2.4
135.04512	1.5
136.05296	2.6
137.02441	5.4
137.06085	1.9
137.99553	2.6
138.03194	3.1
138.05571	2.3
139.00406	3.2
139.04045	1.5
139.07666	1.8
143.03497	3.5
149.04698	1.3
150.05583	4.3
151.05945	3.1
153.01952	6.5
153.05508	6.0
154.02734	1.7
155.03383	1.5
161.02464	2.8
161.04602	5.9
161.05811	1.4
163.03957	1.8
165.05525	3.0
166.02649	1.2
179.05666	2.8
179.07126	7.5
181.01439	3.9
182.02199	4.4
182.05849	16.2
183.06441	1.2
189.16061	1.2
193.03471	1.4
196.03770	5.0
197.00909	1.3
197.04533	30.9
197.08165	46.4
198.08562	2.7
211.06094	4.8
239.05605	21.5
240.06027	1.2
249.84302	1.3
269.06577	2.6
299.07764	3.8
299.11304	5.5
327.10849	37.0
328.11111	4.9
344.07614	3.0
359.09729	66.1
359.13602	30.1
360.10034	6.4
360.13873	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.20370	0.4
58.30379	0.4
59.01375	5.2
60.26685	0.5
61.98824	1.0
70.87011	1.2
71.01379	2.8
75.00843	0.6
82.02881	0.4
85.02953	1.2
89.02428	1.4
93.03445	0.6
95.01381	3.9
96.95985	0.5
99.04560	0.5
101.02419	1.3
102.98585	2.1
113.02431	0.7
114.20634	0.4
119.04976	0.5
121.02943	0.6
123.00881	38.5
123.04533	3.1
124.01191	1.3
125.02439	0.5
133.02942	0.6
137.02419	1.2
137.06070	1.0
138.03224	50.6
139.03552	2.7
140.01135	0.5
148.34961	0.6
153.05568	17.5
154.05826	0.7
155.03474	1.4
161.04593	0.7
163.04115	0.6
164.04849	0.6
166.99841	11.8
177.01961	0.6
179.07101	1.6
182.02202	37.6
183.02534	2.1
197.04541	100.0
197.08174	2.9
198.04877	6.0
203.21291	0.5
211.05960	0.5
239.05566	0.6
320.32504	0.5
359.09863	3.7
359.13666	0.7
360.06055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01877	3.2
57.03443	3.3
58.00585	4.1
59.01375	97.7
60.01694	1.1
61.04676	1.2
61.98825	3.6
66.67695	1.1
69.56032	5.5
69.56441	1.7
71.01378	80.5
72.01710	1.4
72.56061	1.0
72.97517	1.2
72.99300	5.7
73.02949	8.0
74.02483	1.1
81.03458	1.7
83.01380	4.4
85.02937	20.9
85.50822	1.1
87.00873	9.1
89.02438	52.0
89.69912	0.9
95.01385	4.9
96.96024	1.1
97.02934	1.5
98.02471	1.4
99.00891	2.9
101.02436	40.5
107.05017	2.0
108.02143	1.1
108.04550	3.4
109.02963	6.5
109.04879	1.2
109.06590	3.8
113.02447	29.4
116.05044	1.3
119.03505	21.6
119.05014	1.8
120.99631	3.4
121.02995	1.1
121.06576	3.1
122.03740	2.4
123.00912	1.3
123.04533	3.1
125.02430	4.5
129.01918	1.2
131.03459	2.1
135.04549	1.9
135.08144	2.5
137.02425	1.4
137.06094	2.0
137.99542	3.1
139.00365	1.6
139.07617	5.0
143.03482	2.3
145.06589	4.2
147.04514	2.9
149.04564	1.8
149.06023	2.8
150.05624	1.1
151.03978	1.4
153.01933	9.6
153.05576	1.8
154.02696	2.2
159.06407	1.0
161.02429	4.2
161.04536	3.7
163.04004	1.3
163.07654	3.1
165.05531	7.8
165.09221	1.2
167.03535	2.2
179.05681	1.8
179.07118	12.1
182.05850	8.6
183.06544	2.6
193.08664	4.7
197.00955	2.4
197.04510	5.0
197.08188	28.2
198.08577	1.9
237.07668	2.1
239.05544	2.4
299.07587	1.1
299.11307	1.5
327.10812	100.0
328.11176	9.6
344.07367	1.2
359.09622	24.6
359.13550	24.0
360.10367	4.1
360.14227	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	360.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01376	11.5
61.90110	0.5
61.98827	1.1
63.96227	0.5
68.50046	0.4
70.20711	1.3
70.21061	0.9
71.01369	2.2
72.99303	1.3
74.99084	0.6
87.00887	0.8
89.02468	2.3
96.96007	5.0
98.20583	0.5
101.02447	1.6
102.98565	0.5
108.02165	8.0
109.02970	1.1
113.02441	1.3
119.03505	0.9
119.69998	0.5
120.99624	2.3
123.04482	1.0
130.51590	0.4
130.85489	0.5
138.01962	100.0
139.02324	3.2
151.02760	0.8
151.03960	0.5
161.04636	0.7
169.01411	4.1
169.34822	0.5
179.05692	0.5
181.08658	0.7
184.03726	3.3
193.05043	0.7
199.06116	3.1
224.76489	0.5
237.09308	0.9
264.85358	0.5
317.11340	0.8
342.09744	2.7
360.11185	3.2
360.15228	0.7
361.01999	0.5
361.10205	1.7
361.15054	4.8
361.18903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52555	0.5
57.03451	0.5
59.01376	16.2
61.98818	0.9
71.01375	6.8
71.41687	0.9
72.99287	1.0
85.02939	1.4
89.02437	7.4
95.01405	0.6
95.05009	1.4
96.96005	4.0
96.96936	0.9
101.02423	3.8
113.02442	3.4
118.06610	0.7
119.03485	2.4
120.04549	1.0
121.05285	0.5
134.06099	1.6
135.03345	0.6
136.07671	48.5
137.06052	1.7
137.08005	1.8
138.03241	0.6
141.35800	0.5
153.91338	0.5
179.05553	0.6
180.06647	100.0
181.06998	5.2
301.08978	0.9
350.39426	0.6
360.08746	0.8
360.13000	12.2
361.13077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98826	20.6
70.54070	1.0
71.01376	7.1
71.60812	1.5
75.00855	1.3
85.02924	2.7
86.64420	1.0
89.02451	4.8
96.95993	7.3
101.02448	4.1
102.28869	1.0
111.08135	1.8
113.02450	2.7
119.03489	2.6
119.04998	1.9
122.03725	5.3
123.00961	1.2
123.04529	4.9
124.04845	3.2
134.06020	1.4
137.05095	2.1
137.06085	26.9
138.01949	1.3
138.03258	1.0
138.05606	33.7
139.05942	1.6
140.01170	5.4
141.01498	3.6
149.02437	3.9
151.03886	1.0
155.03485	6.4
156.03781	5.0
159.03003	1.1
161.04587	1.4
163.03999	2.8
164.04730	2.2
165.01814	1.3
165.05042	1.3
179.05684	1.3
180.07584	1.9
181.05167	6.2
197.08070	1.1
199.06154	2.3
217.00462	1.3
271.03815	1.1
287.06787	1.3
300.10913	1.7
301.10706	1.7
360.13672	3.8
361.09747	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	361.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.2
61.98819	3.3
69.41834	1.7
71.01386	13.4
71.34077	2.8
72.97514	3.3
73.40108	1.9
78.95903	48.3
83.01370	3.1
85.02915	2.2
89.02454	3.7
96.96001	81.3
96.96957	100.0
99.04445	2.0
101.02449	8.6
111.00852	2.2
113.02448	7.9
121.02936	2.8
123.00878	56.1
124.01635	7.5
125.02449	8.6
137.02397	3.7
137.06084	5.3
138.02214	3.5
138.03227	41.9
139.04044	15.3
149.02426	2.9
151.04010	2.8
153.01941	2.9
154.02209	1.8
161.04527	18.2
163.04004	2.7
169.01405	8.0
181.05087	6.5
191.05452	3.2
193.05090	2.5
202.30481	2.0
211.02446	10.2
271.04578	11.1
281.10269	1.9
301.09286	22.7
302.09756	2.5
361.07657	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	361.0928
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.31036	0.9
53.75864	0.8
59.01362	2.9
61.98808	1.6
71.01367	1.0
72.99306	14.3
73.02904	0.8
73.59734	0.7
75.00889	1.3
85.02950	1.5
87.00844	0.8
93.03448	0.9
96.96002	2.2
119.05035	1.3
120.99638	6.0
127.07581	0.8
132.34738	0.8
142.01697	0.8
149.19835	0.8
151.11301	2.2
181.06604	1.7
193.06526	6.4
195.10236	1.8
199.07808	1.0
207.08130	10.2
209.06056	1.9
211.07631	3.1
219.08136	13.6
220.08426	1.6
223.07602	2.6
224.08360	1.3
225.09190	9.7
226.09477	0.9
227.07152	1.3
235.07602	7.7
236.07913	1.0
237.05595	1.8
237.09200	29.6
238.09476	2.7
241.08641	3.0
253.08676	24.2
254.09024	3.3
255.06537	2.5
255.10393	2.1
256.07315	0.9
263.07114	7.6
269.08078	4.1
279.06473	1.2
281.08151	18.6
282.08499	2.3
297.07693	6.7
299.09238	8.6
300.09500	1.1
307.06055	1.9
315.08725	54.5
316.09201	7.0
317.02173	0.9
317.10214	1.3
325.07104	6.2
343.08191	38.9
344.08481	4.1
361.09268	100.0
361.61801	1.0
362.09528	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	361.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	49.9
61.98816	2.4
62.40588	1.3
69.70594	8.8
71.01377	12.4
72.97519	2.9
73.02945	4.2
85.02950	4.5
87.50642	1.3
89.02431	3.3
95.01385	5.1
96.96040	6.7
96.96963	4.1
99.00854	2.7
101.02441	8.8
113.02450	9.0
121.02949	3.3
122.27367	1.4
123.00878	100.0
123.04549	1.7
124.01729	10.2
125.02415	1.3
133.96790	1.4
137.02403	5.0
137.06073	2.6
138.03224	83.0
139.04028	29.8
143.03583	1.8
149.02457	3.0
151.04034	2.7
159.02974	2.5
161.04556	30.2
162.04884	2.0
166.02701	3.4
168.07741	1.5
181.05084	9.1
181.06552	1.4
193.05103	3.8
233.57411	1.7
239.40410	1.5
297.20111	1.7
301.09253	47.6
302.09619	3.5
352.28500	1.4
358.74246	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	361.114
Annotation	Procumboside
Peak:m/z	Relative Intensity
55.01885	1.1
57.03439	0.6
58.00598	1.2
58.92419	0.5
59.01380	24.4
59.51404	0.5
61.98832	8.7
66.72972	0.6
69.85875	3.1
71.01381	16.5
72.99287	1.4
73.02937	0.8
73.41637	0.5
74.99105	0.6
85.01157	0.5
85.02931	3.2
87.00915	1.3
89.02440	18.2
95.01371	1.7
96.96017	7.0
101.02440	10.1
104.84840	0.6
109.06618	0.7
111.08150	8.8
113.02435	6.0
119.03508	9.3
122.03739	23.1
122.04637	1.2
123.00925	0.9
123.04602	0.9
125.02432	1.3
126.84373	0.6
131.03468	0.8
135.08105	0.8
135.52666	0.5
137.06081	100.0
138.06421	5.1
143.03481	1.1
145.02953	1.2
149.02559	0.6
149.04521	1.0
154.02704	0.7
155.07169	2.8
161.04587	2.4
163.04019	1.0
177.09222	0.7
179.05626	2.9
181.05052	21.2
182.05426	1.0
193.05144	0.8
199.06129	8.4
213.38654	0.6
234.96059	0.6
317.12527	1.1
318.25345	0.6
323.56296	0.6
350.28452	0.6
361.11255	7.7
361.14856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	1.6
61.98815	2.2
68.30267	1.2
70.85144	3.3
73.69209	1.3
77.31231	1.3
81.83124	1.4
93.11281	1.4
99.87522	1.3
104.56487	1.3
116.32462	1.5
192.09612	1.7
194.65126	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	362.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69373	0.6
56.70936	0.7
59.01377	100.0
60.01705	1.0
61.98827	5.6
70.46232	2.4
71.01392	1.5
73.02936	0.7
79.01108	0.6
85.02967	0.7
87.00877	0.8
89.02443	1.5
96.96003	8.9
101.02438	1.1
104.51102	0.6
113.02468	0.9
115.11202	0.6
117.29690	0.6
123.00843	0.8
125.02451	0.9
140.07169	86.2
141.07518	4.1
161.02457	1.0
161.04588	0.8
169.01440	0.7
179.05293	0.7
191.03485	0.9
229.01469	0.9
300.99826	2.0
302.12457	3.0
362.02792	1.3
362.52878	0.7
363.03595	1.6
363.12161	0.9
363.16519	1.0
365.18546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41821	0.7
58.00571	1.3
59.01379	100.0
61.98542	1.0
61.98827	6.5
69.30887	7.8
71.01002	1.4
71.01382	22.5
72.99294	1.5
73.02956	1.2
74.99105	1.0
75.72066	0.8
78.95920	1.0
79.95731	1.0
82.46198	0.9
83.01374	1.1
85.02959	4.0
87.00869	5.4
89.02443	32.2
90.02757	1.7
95.01385	2.2
96.96012	49.9
99.00857	1.3
101.02438	14.0
113.02431	10.2
119.03519	10.8
122.06116	34.6
123.00874	2.6
125.02428	1.2
131.03459	1.4
137.02420	1.6
138.05562	1.3
139.00302	1.1
140.00966	1.1
140.07047	0.9
143.03502	4.5
145.02946	1.0
149.04482	1.3
151.02582	4.9
161.02377	1.1
161.04538	7.5
163.04016	1.0
179.05595	16.2
180.06714	1.5
181.06979	1.3
182.07216	1.4
182.99306	1.2
183.06490	1.0
183.99669	1.6
191.03453	1.3
195.06615	2.3
204.03883	0.9
275.02106	1.7
300.99646	1.7
362.02899	2.3
362.07965	2.9
362.52960	1.4
363.03976	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	363.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38814	0.2
55.51312	0.2
56.56184	0.2
59.01377	2.9
61.98824	0.8
66.32525	0.2
69.09509	0.2
69.96268	0.8
71.01380	0.4
73.02934	0.3
79.95747	1.7
85.02944	0.2
87.00869	5.5
89.02460	0.4
96.82400	0.2
96.96006	100.0
97.95937	0.5
98.20652	0.3
101.02503	0.4
122.97537	0.9
135.04539	0.4
136.05284	0.4
151.07655	0.3
161.06036	0.2
166.96556	0.4
182.09854	0.2
191.05913	0.2
195.06610	5.1
197.72504	0.2
208.08925	0.2
283.08212	2.5
284.08441	0.2
303.14105	0.2
342.22284	0.2
363.03864	9.4
363.16602	1.2
364.04327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1293
Annotation	Pyridaben
Peak:m/z	Relative Intensity
57.03438	4.4
58.00583	1.6
59.01096	2.8
59.01372	33.3
61.31964	1.4
68.99812	1.9
69.26002	16.0
71.01376	27.2
71.03648	1.5
72.99287	10.4
73.02945	4.1
75.00867	30.9
76.07971	1.5
82.02979	10.9
82.67227	1.4
83.01414	2.2
85.02944	38.7
87.00417	1.7
87.00866	11.3
87.23293	1.5
89.02428	10.2
95.01388	9.2
95.05043	2.5
96.96008	4.7
99.00884	15.8
102.27709	1.6
103.00348	1.8
109.96087	1.5
113.02441	49.3
113.06081	51.6
114.06445	1.9
115.00330	3.8
115.22253	1.6
117.01925	6.8
129.01942	2.8
136.04051	8.2
164.03502	13.0
175.02504	4.5
190.08731	3.4
191.86003	1.7
194.04570	5.5
196.06215	4.6
202.02777	1.7
205.07010	2.3
217.06381	1.8
231.05110	3.3
231.07591	2.0
233.09280	8.3
244.09970	2.1
249.06136	45.5
250.06529	2.7
267.07178	94.2
268.07520	3.8
271.07281	1.9
287.10333	31.9
288.10748	2.8
319.12909	3.0
331.09344	15.7
332.09494	1.7
345.11618	2.2
363.12872	100.0
364.13171	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00586	0.6
59.01376	100.0
60.01716	1.3
61.98826	14.7
69.36393	3.5
71.01378	12.7
72.99305	1.9
73.02943	6.6
75.00882	0.5
75.08334	0.4
79.95726	1.7
82.38673	0.4
83.01378	1.1
85.02937	3.0
87.00869	4.9
89.02438	15.6
91.68341	0.5
95.01395	1.2
96.96005	64.8
97.06585	4.0
98.19857	0.8
99.00887	0.7
100.51044	0.4
101.02436	7.0
109.02943	0.5
111.00878	0.6
113.02463	4.9
119.03493	5.4
119.05015	0.5
120.99641	1.3
122.06038	0.5
123.04562	0.7
123.05678	0.5
125.02422	1.4
134.06113	0.5
140.07181	0.5
141.05551	2.8
143.03461	1.2
149.04576	0.6
153.09219	1.3
154.03352	0.5
160.83975	0.4
161.04561	2.6
161.19789	0.6
163.04037	0.7
165.05557	1.0
167.03365	0.5
169.64928	0.4
171.10210	0.8
173.04491	0.5
174.01561	0.5
178.05058	0.8
179.05600	3.3
183.06508	0.5
183.10193	1.2
195.06601	2.5
197.08159	0.6
201.11293	1.2
215.09207	5.1
257.12885	0.6
276.11737	1.0
283.08133	1.5
319.12762	0.5
340.80991	0.5
363.03937	6.0
363.07828	0.7
363.12494	4.2
363.16458	7.3
364.09937	1.1
364.16754	1.1
379.67850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.2
70.60320	1.0
71.01397	1.1
72.90473	0.3
73.02961	0.8
77.64140	0.3
78.07651	0.4
80.30492	0.3
87.00895	0.4
89.02429	0.7
92.42950	0.4
93.93531	0.4
101.02451	0.8
101.33130	0.3
113.02438	0.8
132.56912	0.3
138.53281	0.3
139.11243	0.3
158.64417	0.4
201.11349	1.0
206.03087	0.4
318.90039	0.4
322.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.181
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
55.59487	0.6
59.01381	4.0
60.70494	0.5
64.72428	0.7
69.96167	0.6
71.01381	0.7
71.61571	1.3
73.02429	0.6
87.85122	0.6
96.96014	2.7
103.02305	0.8
111.45704	0.6
137.09691	2.3
165.05559	1.7
165.09169	1.1
177.55937	0.6
241.15952	35.8
242.16295	3.9
255.17488	3.4
257.19098	17.4
258.19424	2.0
275.20129	4.4
276.20532	0.7
283.16995	3.4
301.18063	49.2
302.18420	7.2
319.19086	6.1
345.16977	14.1
346.17380	2.6
362.79855	0.7
363.18106	100.0
364.18451	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51963	0.5
59.01377	8.8
59.68948	0.5
61.98828	100.0
71.01376	3.3
71.58560	0.6
72.97538	0.7
73.02937	1.2
74.60004	0.5
75.00890	1.0
75.47974	0.5
83.01391	1.7
85.02493	0.5
85.02962	1.9
87.00887	0.8
89.02458	2.2
95.01425	0.7
96.95998	9.5
98.20205	0.5
98.95559	0.5
99.00877	0.9
101.02448	3.4
109.03002	0.6
113.02461	2.0
115.04008	0.7
119.03539	0.8
123.04527	0.8
124.01222	0.9
124.04038	0.6
126.27941	0.5
127.00391	1.2
134.31699	0.5
141.05553	0.5
142.05113	2.2
149.34470	0.6
151.02606	2.6
152.03004	0.6
153.01967	1.6
169.01495	1.0
179.05635	0.8
191.04063	0.7
191.05568	3.1
210.99170	0.9
249.05861	0.7
301.05844	0.8
304.10260	1.3
364.03271	1.1
364.09183	0.7
365.01678	0.8
365.10477	4.0
365.14932	1.0
384.43768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.997
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
59.01374	2.1
61.98812	0.4
63.02372	0.3
65.00326	0.6
71.61738	0.3
79.95744	0.5
83.01373	0.6
96.96008	9.8
107.01400	1.3
113.02460	0.3
133.02942	8.4
134.03290	0.6
142.29146	0.2
149.02420	1.7
151.00359	4.8
169.06522	0.3
175.03992	2.5
185.06093	0.3
198.03217	0.3
199.04041	1.7
201.01939	0.9
215.03517	0.4
217.05034	1.2
224.04771	0.3
229.05069	0.4
239.03455	0.3
241.04996	1.2
243.02986	0.6
257.04486	0.3
285.04025	100.0
286.04352	9.7
364.99646	7.7
365.06638	0.3
365.12192	0.4
365.16321	4.6
365.20499	0.4
366.00031	0.8
366.16370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94490	1.0
59.01374	40.2
61.98819	3.9
67.24409	1.1
67.38525	0.9
69.03461	1.5
69.41183	5.6
69.41595	2.7
71.01373	16.9
72.99313	2.8
73.02934	1.5
73.04846	1.0
79.95729	7.5
80.96507	5.9
81.03453	2.9
83.01366	1.3
85.02942	9.7
87.00878	2.6
89.02437	6.4
92.50298	0.9
94.98074	1.2
95.01370	2.8
96.96008	82.2
98.95582	4.7
99.00894	1.5
101.02435	6.5
107.01363	1.7
108.02179	20.3
109.02956	45.4
110.03278	2.0
111.04539	1.1
112.04025	1.4
113.02478	5.6
116.05051	3.8
118.06674	1.0
119.03485	2.6
120.99725	1.0
122.06100	1.1
122.97575	3.1
123.00873	2.3
123.04477	1.6
123.27297	1.2
125.02417	2.7
125.06084	1.3
131.03482	1.3
135.00879	3.4
138.05629	2.2
138.97064	3.5
143.03545	1.4
143.25500	1.2
146.06114	2.0
146.38940	1.1
148.04030	2.9
150.05621	1.5
150.97070	4.8
153.01930	97.1
154.02246	4.6
160.04033	100.0
161.04572	3.8
162.05618	5.7
166.96504	1.1
167.03484	1.8
178.05095	10.8
179.05545	2.0
184.06131	2.9
191.05576	1.7
203.09190	1.7
204.02980	4.3
209.71402	1.1
210.99170	68.7
211.99591	2.5
242.11829	3.2
252.09099	1.4
267.11337	4.0
285.12393	6.7
291.97745	1.1
305.12369	7.2
305.28125	1.3
321.02872	4.3
329.11444	9.5
342.58881	1.1
347.00552	9.6
347.12424	3.3
365.01791	80.8
365.13977	6.8
365.18188	2.3
366.02094	6.3
366.08261	20.8
366.12851	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	365.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01371	4.5
62.17016	0.7
67.01880	0.8
69.90695	2.7
70.09452	0.6
71.01376	5.7
73.02917	1.2
80.29597	0.6
85.02950	10.1
87.00864	2.9
93.03455	3.2
96.96002	6.7
97.90740	0.7
98.95597	0.9
99.00852	4.1
101.02424	1.3
107.34671	0.7
108.02157	1.3
109.02944	3.1
111.00854	2.5
111.04551	1.7
112.98801	10.9
113.02444	1.6
114.98568	0.8
115.00374	0.9
116.12286	0.7
120.75925	0.7
127.03990	2.3
129.01917	1.6
129.05608	0.7
131.88939	0.9
142.99843	9.4
150.05481	1.0
153.01895	3.8
155.03465	1.1
160.04016	12.2
171.02969	1.0
173.00932	9.4
173.04504	6.1
191.05589	100.0
192.05937	4.0
199.04208	0.8
210.99077	3.4
217.05171	2.5
365.01840	4.7
365.08823	11.5
366.08289	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	365.0874
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
58.72867	0.4
59.01374	2.6
61.98830	0.7
63.01896	0.5
69.23525	4.7
71.01382	1.0
73.02937	0.8
75.25971	0.4
81.47823	0.4
85.02970	0.5
86.25924	0.4
96.96013	1.1
101.02440	0.6
107.26560	0.4
113.02440	0.5
140.16121	0.5
145.02950	0.6
147.04431	0.5
157.02986	0.6
158.03723	16.1
159.04521	6.8
161.04497	0.6
171.04575	2.2
201.01945	1.1
201.05637	2.7
202.02701	100.0
203.03177	8.4
213.05446	2.4
215.03441	0.6
231.06660	0.6
245.04457	1.6
274.76620	0.4
275.05399	2.1
283.41428	0.5
305.15891	0.8
365.08713	56.3
366.08939	6.5
366.12842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62895	0.6
55.01878	0.6
57.03453	1.2
57.10333	0.5
58.00584	0.9
59.01376	100.0
60.01712	1.0
61.98837	1.5
68.53283	0.5
71.01378	16.1
72.99298	1.5
73.02940	5.2
74.99109	1.5
75.00867	1.2
76.24115	0.6
83.01395	1.5
83.05016	1.1
85.02942	8.0
87.00871	1.2
89.02440	9.1
95.01383	1.5
96.96014	3.1
97.06564	0.6
99.00873	1.4
101.02441	12.0
109.02938	0.7
113.02435	5.2
113.03020	0.5
116.05036	0.6
119.03510	2.4
120.99638	1.3
121.02915	0.7
122.06116	0.7
122.61757	0.7
123.04500	1.0
125.02463	1.2
126.97902	0.7
136.99156	0.6
143.03479	1.6
148.79523	0.6
154.09927	0.6
155.10808	1.6
157.08711	1.0
159.02994	0.8
160.03990	1.1
161.04533	4.7
179.05603	0.8
185.11807	8.2
202.10201	0.7
203.12865	10.3
203.14630	0.9
204.13292	1.0
237.09897	1.1
251.11284	1.0
289.07117	0.9
305.15988	10.0
306.16269	1.1
321.06311	1.1
347.17267	2.1
365.08923	2.7
365.13760	2.2
365.18143	55.4
366.18631	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03462	0.7
58.00590	0.6
59.01378	26.7
60.01711	0.5
65.45000	0.5
69.33777	4.1
70.85313	0.5
71.01382	12.6
71.05028	0.6
72.99310	1.2
73.02939	2.2
81.54270	0.5
83.01385	1.8
85.02942	4.0
86.30350	0.5
87.00879	1.4
87.04507	2.5
88.25214	0.5
89.02441	9.1
95.01363	1.1
96.96007	1.0
99.00857	1.0
101.02442	10.5
101.06085	5.2
109.23469	0.5
113.02420	4.6
119.03493	3.4
127.11258	1.7
129.05513	0.8
155.10762	1.3
157.12337	10.4
158.12665	0.8
161.04576	1.4
185.11813	1.3
187.05833	0.5
187.13400	0.5
199.13362	1.1
203.12863	26.9
204.13225	2.2
245.13837	1.2
365.18152	100.0
366.14294	0.9
366.18524	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	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46318	21.1
59.01381	100.0
64.33386	21.5
66.69046	18.3
70.90043	43.8
88.89330	20.1
96.87562	24.0
163.73567	20.6
210.09964	21.5
210.52179	22.0
222.07338	23.1
223.72705	19.9
283.26465	93.3
365.26816	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	366.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
62.29000	0.3
69.40817	2.2
70.01441	0.2
79.95735	7.2
80.96529	0.4
96.95988	1.2
102.51791	0.3
114.67131	0.3
128.05067	0.4
130.06554	0.3
142.06615	100.0
143.06969	6.0
158.06133	4.1
186.05630	1.1
204.07024	0.3
218.61571	0.3
222.02277	49.6
223.02621	3.4
233.92178	0.3
238.01768	4.4
260.03159	0.3
266.01297	2.5
366.06525	13.1
367.07083	1.4
367.21310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52261	0.2
70.15183	0.7
95.83212	0.2
98.80561	0.2
104.56991	0.2
116.05060	3.5
117.05444	0.3
132.04568	0.2
135.74855	0.2
159.03233	0.3
160.04034	100.0
161.04384	6.2
169.06316	0.2
204.03008	4.2
205.03287	0.4
366.08276	20.3
367.08624	2.4
367.12601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.19923	0.3
61.98827	100.0
62.98533	0.5
70.62007	0.6
70.62354	0.5
71.01392	0.5
72.99324	0.9
75.80845	0.4
89.02431	0.9
90.92086	0.3
96.95998	2.7
101.02457	0.4
109.45966	0.3
115.21214	0.3
117.01900	0.8
125.06115	0.4
126.88183	0.3
142.99832	1.1
149.06107	0.4
167.07141	0.6
173.00923	1.0
174.01704	1.0
178.44666	0.3
186.04338	0.3
206.29700	0.3
221.86433	0.3
225.07712	0.8
262.04285	0.3
271.08231	0.4
287.05655	0.5
304.61807	0.3
313.12936	0.4
340.18094	0.4
366.06924	0.4
367.14453	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	366.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03442	1.6
58.00587	1.4
59.01377	48.5
59.52183	0.6
60.01718	1.1
69.63668	3.3
70.35314	0.7
71.01376	13.3
71.11410	0.6
72.99291	3.4
73.00404	0.5
73.02946	1.4
74.99100	0.8
75.00870	3.7
81.03455	0.6
83.01399	2.0
85.02931	3.7
87.00870	2.9
89.02441	8.9
95.01384	1.5
96.96007	2.5
98.20605	1.3
99.00872	2.1
101.02435	6.6
102.02798	1.0
102.98566	0.9
109.02958	0.6
113.02444	4.8
116.05059	8.7
117.05383	0.7
119.03490	4.0
120.99617	0.9
123.04514	1.5
125.02429	8.7
128.05042	1.9
129.01979	0.7
130.06616	2.4
142.06612	100.0
143.06967	6.1
144.04440	0.7
145.02957	0.8
149.04390	1.1
151.00330	1.3
158.06091	10.8
160.07658	0.6
161.04579	1.6
163.03957	0.6
167.03493	8.2
168.03835	2.9
177.05534	0.9
186.05586	47.6
187.05930	4.2
187.07578	1.0
191.03436	2.0
192.03732	0.7
193.03319	1.1
198.02864	0.6
201.05542	0.9
203.10233	0.7
203.12929	1.2
204.06624	29.3
204.13133	1.9
205.06960	1.6
215.07013	0.8
231.10146	0.8
237.06068	1.0
243.06599	1.7
246.07664	2.6
251.13017	0.6
259.05988	7.4
287.05585	15.1
288.44144	0.6
307.17581	2.1
329.08789	1.9
330.09116	1.1
366.11887	85.5
366.18329	5.8
367.01199	1.5
367.12164	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	366.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	1.0
61.98837	1.0
68.02526	1.0
68.17336	0.6
69.85416	1.8
96.71200	0.5
109.21013	0.4
222.01045	0.5
223.09021	1.5
236.87135	0.4
361.95975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13144	0.6
57.03446	5.5
58.23878	0.4
59.01367	1.6
61.98815	0.7
63.02389	1.6
65.00318	3.1
73.16949	0.6
79.42853	0.5
81.03457	1.8
83.01378	5.0
93.03450	1.1
95.04388	0.6
96.96017	1.6
107.01376	2.8
109.02949	1.3
121.02884	0.5
123.04556	1.0
124.01665	1.2
125.02439	60.4
126.02785	1.9
131.05046	1.2
133.02960	1.8
135.04550	1.0
151.00351	8.4
152.01169	4.7
153.01897	1.7
159.04559	1.1
165.01952	0.9
172.05298	0.5
173.06052	3.1
177.05569	6.3
178.99837	4.4
180.00621	0.7
197.06041	0.7
199.07610	2.4
200.04749	0.6
201.05551	5.3
207.12811	0.6
213.05554	0.8
215.07138	4.0
217.01459	0.9
219.06682	1.3
241.04951	1.2
241.74672	0.7
243.06619	10.8
247.06007	0.7
259.06082	48.4
260.06418	4.3
269.04526	1.5
273.31033	0.6
287.05588	100.0
288.05902	11.3
367.01227	11.5
367.14130	0.8
368.01584	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	367.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01368	1.3
63.02398	1.0
65.00328	2.8
69.96796	2.5
80.89835	0.4
81.03450	1.5
83.01379	4.1
86.84847	0.5
93.03455	0.8
98.19992	0.8
107.01386	2.9
109.02944	1.6
123.04520	0.7
124.01656	1.1
124.14310	0.4
125.02443	59.4
126.02780	2.1
131.05061	0.9
133.02950	2.0
134.03773	1.2
135.04515	0.9
137.02470	0.5
139.00351	0.4
149.06010	0.5
151.00351	7.8
152.01173	5.2
153.01877	1.9
157.06624	1.1
158.65221	0.5
159.04459	1.1
165.01961	1.0
172.05315	1.0
173.06111	3.9
177.05583	6.9
178.99866	3.6
180.00520	0.9
199.03972	0.5
199.07631	1.8
200.04797	0.7
201.05577	6.2
203.03448	1.3
205.12308	0.8
213.05647	0.9
215.07100	4.3
219.06609	1.6
241.05153	1.1
243.06586	7.9
244.06940	0.9
259.06085	47.6
260.06387	4.8
269.04507	2.0
287.05594	100.0
288.05933	10.0
367.01279	10.6
368.01627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19543	0.7
52.54100	0.7
55.91272	0.7
56.16967	0.7
59.01375	2.0
63.02380	1.0
65.00317	7.4
65.76031	0.7
70.98409	1.2
70.98738	1.3
74.48109	0.8
83.01382	3.1
91.10857	0.8
96.95996	1.8
105.16794	0.8
107.01380	15.8
108.01701	0.9
109.02969	2.1
125.02456	5.2
135.04512	64.6
136.04834	3.8
137.02431	3.8
141.26509	0.9
146.03674	1.2
151.00357	100.0
152.00706	4.6
153.01918	1.3
164.01109	1.5
165.01924	13.9
172.05286	3.4
177.01971	1.0
179.10747	0.9
199.07533	1.1
201.09189	22.3
202.09552	1.8
203.97627	0.9
269.04434	1.7
287.05582	64.2
288.05859	5.4
304.13339	0.9
367.01257	41.8
367.11642	5.1
367.17792	1.1
368.01663	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	367.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01374	2.4
63.02385	1.6
65.00320	8.0
71.60567	0.3
75.00870	0.4
79.95721	0.6
80.96532	0.3
81.03446	0.4
83.01374	3.5
93.03458	0.4
96.96021	1.5
97.06588	0.4
97.70743	0.3
101.02428	0.3
102.98590	0.4
107.01386	16.7
109.02921	2.4
111.85123	0.3
119.05043	0.5
125.02451	5.4
135.04518	69.7
136.04829	3.7
137.02438	2.2
138.64484	0.3
146.03700	0.6
151.00359	100.0
152.00687	4.6
155.10854	0.3
157.96402	0.3
161.02374	0.8
164.01151	0.9
165.01892	5.1
169.01402	0.9
172.05273	0.8
177.01938	0.6
179.03493	0.6
187.07622	1.1
199.07578	0.7
201.09166	4.5
215.00217	0.4
229.08713	1.0
236.97772	0.4
256.57245	0.4
269.04547	0.4
282.13043	0.4
287.05591	45.0
288.05960	4.3
323.12717	0.6
367.01230	57.5
368.01514	5.7
368.12250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45361	2.5
57.03448	3.5
58.00595	2.6
58.52176	2.0
59.01376	85.5
60.01743	2.6
61.98832	13.6
70.31849	5.5
70.32202	5.8
71.01380	50.3
72.99305	6.3
73.02944	13.8
75.00871	4.2
81.03458	4.1
83.01373	7.9
83.05019	3.6
85.02952	43.7
87.00875	12.1
89.02449	34.8
93.03446	8.0
95.01379	7.7
96.96001	7.4
99.00880	11.2
99.04524	8.3
101.02436	32.0
108.02163	6.2
108.04547	3.5
109.02955	7.6
110.02471	44.2
113.02448	27.3
115.41142	2.3
117.05567	6.0
119.03492	7.6
122.06089	6.1
123.00883	11.4
125.02424	17.7
127.04005	11.4
131.03450	3.4
136.07639	2.7
137.90991	2.2
139.00366	5.0
145.05054	6.0
146.51154	2.8
148.98631	3.9
150.05583	23.0
151.00348	11.5
151.03937	2.4
151.05951	6.3
152.03523	73.7
159.03000	4.6
160.03990	9.1
161.04517	33.8
168.00598	3.9
169.01410	38.7
173.04514	18.6
174.96468	3.1
179.05597	5.4
194.04547	7.6
205.07210	11.8
211.02487	11.6
215.05585	5.0
220.32690	2.7
221.06654	8.0
249.06154	8.6
249.09709	6.4
261.09793	4.8
271.04575	7.6
289.09375	5.6
307.10382	36.1
312.10876	8.2
313.11340	7.1
314.08463	3.5
326.47052	2.6
330.11743	18.7
331.06647	100.0
331.12469	13.9
332.06940	8.3
335.09766	32.8
336.10071	4.5
349.11905	2.9
367.07922	4.6
367.12393	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	367.08
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95160	7.5
59.01384	100.0
61.98822	54.9
71.01374	40.9
71.54951	15.8
73.02943	18.2
75.56461	9.0
85.02966	11.3
87.00854	20.0
87.32166	7.9
89.02457	42.1
96.96005	83.2
101.02460	13.5
113.02424	23.7
117.97548	7.8
119.03471	13.4
123.04512	20.9
139.00388	20.2
154.02682	29.8
161.04285	16.4
167.03561	10.3
169.05057	23.1
175.51616	9.2
281.11835	8.2
283.17786	8.1
297.31509	8.1
307.13773	11.9
345.00427	8.7
356.28336	10.5
367.03305	23.2
367.10986	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86598	4.0
59.01107	5.1
59.01381	90.6
61.98831	33.0
70.33649	14.5
71.01383	72.2
72.99266	6.5
73.02935	16.8
83.01360	7.3
85.02937	22.5
87.00875	6.5
89.02440	47.7
91.94477	4.2
95.01373	6.1
96.95998	24.3
98.95581	5.2
99.00861	8.9
101.02423	39.6
105.01868	5.4
109.02931	5.9
110.82264	4.8
113.02420	25.7
115.23176	4.1
119.03502	15.4
119.05033	25.1
131.03511	4.6
131.07193	5.8
132.04562	4.9
138.05620	6.7
139.04033	6.0
143.03476	4.7
147.04509	4.3
151.07632	8.9
152.07141	12.9
159.05606	16.8
161.04590	22.0
161.05875	4.2
162.05563	4.9
179.05577	10.4
187.05109	6.3
220.06166	16.9
221.10216	8.8
235.11853	21.5
247.07173	10.4
305.11200	4.4
307.09573	9.8
307.13943	4.6
367.11386	100.0
367.15866	27.5
367.19705	9.0
368.11990	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	367.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
57.03442	2.2
59.01379	59.8
60.01704	0.9
67.01873	1.1
68.99796	2.1
69.03441	1.4
70.57970	1.4
70.58305	1.4
71.01384	18.7
72.99294	4.6
73.02946	10.0
75.00877	15.6
78.89830	0.9
83.01360	1.5
85.02946	20.3
85.31984	1.0
87.00875	7.8
89.02444	7.4
93.03443	1.2
95.01397	6.2
99.00874	8.8
99.04517	2.5
101.02453	2.5
103.00373	2.2
104.02975	0.8
111.00829	1.0
113.01707	1.8
113.02447	25.2
114.02753	1.1
115.00341	1.1
117.01939	2.7
117.05578	35.3
118.05856	1.0
119.47569	1.0
121.06583	0.9
129.01888	2.1
139.91733	0.9
144.69157	1.1
157.01349	1.0
160.04039	15.6
161.04393	18.3
169.01381	1.4
175.02463	3.0
205.07230	1.4
231.05075	4.0
249.06149	54.4
250.06448	3.2
267.07159	5.5
309.08325	7.6
349.11401	5.6
367.08850	5.0
367.12439	100.0
368.12766	8.8
375.66696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.4
61.98827	100.0
70.84412	2.3
96.95987	3.5
98.20713	4.5
103.82597	2.5
132.66312	2.4
136.47467	2.2
295.42072	2.9
367.21097	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	367.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
57.48861	0.4
59.01377	100.0
60.01723	0.7
61.98817	0.8
69.55776	0.9
69.56179	2.3
71.01389	2.8
72.57766	0.4
72.99328	0.5
73.02953	1.2
85.02962	1.5
89.02438	0.7
96.96016	1.6
99.00887	0.5
101.02451	3.8
102.98585	1.0
112.64279	0.4
113.02455	1.1
123.04536	0.4
125.02467	2.1
133.02965	0.6
138.05629	1.5
141.02110	0.4
149.04317	2.9
161.04521	2.7
167.03505	1.2
187.07637	0.7
193.03217	2.1
193.37216	0.4
208.51033	0.5
237.02415	1.4
259.06195	1.7
287.05548	3.3
305.11450	0.9
307.17621	10.7
307.20947	0.7
308.17993	1.2
323.11496	0.5
367.10324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03442	1.6
58.50960	0.6
59.01377	100.0
59.63798	0.6
60.01719	1.3
61.98827	0.9
65.00309	0.7
71.01380	6.0
71.59404	1.0
71.59758	0.7
72.99317	1.2
73.02943	1.7
74.99087	1.2
75.00871	0.9
81.03448	0.7
81.71053	0.6
83.01394	1.8
85.02970	3.3
87.00900	1.5
89.02445	4.3
96.96030	2.5
96.97603	0.6
99.00862	1.0
101.02458	5.5
105.50011	0.6
111.00919	0.8
113.02438	3.2
119.03522	1.5
119.04995	0.8
120.60188	0.6
123.04552	1.6
125.02427	12.1
125.03306	0.9
136.99205	1.2
142.06641	5.2
143.03654	0.7
143.06964	5.2
147.04471	0.6
149.04356	1.0
151.00433	1.7
152.01190	1.2
158.06129	0.9
161.04564	2.7
163.04007	1.4
163.45061	0.7
167.03528	4.7
167.07152	0.7
171.21541	0.6
175.23372	0.7
177.01849	0.7
177.05577	1.1
178.99902	1.1
186.05676	1.9
187.05919	2.3
187.07530	1.3
187.11331	1.6
191.03539	1.3
193.03314	0.9
201.05531	1.1
204.06636	1.3
204.11464	0.9
205.07050	1.5
205.12366	1.7
205.79762	0.6
233.11879	1.1
243.06700	1.8
259.06119	8.9
287.05588	18.7
288.06100	2.0
307.17603	8.7
307.20490	0.9
308.18076	0.9
313.13016	1.6
329.08920	1.8
353.10626	0.6
367.01419	2.6
367.12677	6.9
367.18280	0.8
368.12802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95727	6.4
80.96545	0.3
81.03342	0.3
98.20661	1.0
100.88781	0.3
107.26231	0.3
109.99599	0.3
128.05000	0.4
142.06615	100.0
143.06972	5.3
158.06107	4.8
186.05626	1.4
222.02278	51.7
223.02559	3.4
238.01785	5.0
239.02141	0.4
266.01248	3.2
368.08029	17.2
369.08273	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	369.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41630	0.5
57.03440	2.1
57.26744	0.5
59.01376	3.2
61.98830	1.5
69.03439	0.5
69.60454	3.7
71.01372	1.5
72.99302	1.5
73.02962	1.1
79.95732	5.1
80.96503	1.2
81.03436	3.0
81.52376	0.5
83.01383	3.0
85.02958	1.5
85.76222	0.5
87.00874	0.9
93.03446	2.3
95.01328	0.6
95.04990	3.4
96.96003	7.5
97.02934	6.3
99.00846	0.9
99.04507	0.7
101.02455	0.7
108.02185	0.8
109.02948	23.1
111.04478	0.9
113.02393	0.6
120.99642	1.7
121.02983	4.2
123.00887	0.8
123.04525	16.2
123.94554	0.5
124.01697	0.7
124.04847	0.6
125.02442	19.1
135.04527	1.7
137.01447	1.0
137.02443	14.8
137.03497	0.8
138.03186	0.8
139.03998	3.5
142.06606	1.4
145.02893	0.8
146.03654	1.0
147.04492	0.8
149.02435	6.5
150.03159	0.9
151.03999	16.9
152.04398	0.6
157.06538	0.7
159.04512	2.6
160.05260	1.1
161.02415	1.3
161.04709	1.1
161.06003	4.9
162.03224	1.5
163.04001	2.0
164.01184	3.9
164.04924	1.2
165.01923	6.4
165.05548	1.1
167.03490	2.0
171.73276	0.6
173.02382	0.6
173.06093	0.8
174.06845	0.6
175.02638	0.7
175.03931	2.6
175.07640	1.5
177.05521	1.0
179.03488	6.4
185.06064	1.0
187.03999	5.3
188.04779	4.4
189.05345	0.6
190.05098	1.2
191.03496	0.7
192.00647	2.4
199.07562	0.8
201.05612	1.5
202.06326	2.3
203.07126	15.3
204.07445	0.7
205.01425	0.7
205.05055	9.8
206.02267	1.5
206.05324	0.7
206.08087	0.6
207.02940	3.5
217.08672	0.7
221.08176	3.0
227.07123	2.0
230.99661	9.6
231.02892	0.7
235.58305	0.6
245.08150	19.5
245.10667	1.1
246.08583	1.9
247.06073	1.3
250.75180	0.6
259.99585	1.1
271.06085	0.9
278.00507	1.1
289.07159	37.4
290.07526	3.2
339.08725	1.1
354.11130	0.8
369.02808	100.0
369.11615	3.5
370.03107	11.0
370.11740	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	369.3006
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.03441	0.5
59.09987	0.4
59.22272	0.5
61.98790	0.5
62.14651	0.4
70.54829	1.3
81.56722	0.4
91.54811	0.4
184.99290	0.4
204.98796	0.4
305.28467	1.1
307.30026	67.1
308.30389	8.4
325.31061	1.8
351.29001	18.6
352.29196	1.6
369.30038	100.0
370.30408	13.8
370.34344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
60.48671	0.4
61.98827	100.0
68.57741	0.5
69.15178	0.5
69.50518	3.5
70.22582	0.5
70.52666	0.4
71.01376	3.7
72.99326	0.5
73.02945	1.2
75.00883	0.6
79.95735	0.7
83.01392	1.5
85.02963	1.6
87.00873	0.6
89.02419	2.6
93.03453	1.9
95.01421	0.5
96.96005	3.9
97.85345	0.4
99.00851	0.5
99.08156	1.8
101.02409	2.7
103.00377	1.2
108.02188	0.6
109.02972	0.9
113.02482	1.9
119.03540	1.2
120.99586	0.6
121.02998	0.9
123.04518	1.4
127.07606	0.6
133.02870	0.5
135.82648	0.6
137.02435	4.6
139.26671	0.5
142.06602	5.4
145.08714	5.3
149.02403	1.2
150.02814	1.5
151.04004	0.7
163.03902	0.5
164.04787	1.8
165.05177	1.9
167.03456	0.5
171.58301	0.5
179.07120	1.0
179.10696	0.5
180.07501	1.0
208.55246	0.6
222.02318	4.5
223.06108	0.9
224.06476	0.6
238.23631	0.6
289.07043	1.1
291.12708	1.4
300.02600	0.5
304.06915	1.1
307.13965	15.3
308.14270	0.9
370.12448	2.0
371.08231	1.1
371.13425	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04736	0.6
59.01368	1.4
65.26852	0.5
66.98534	0.5
71.01376	1.4
71.59118	0.7
85.02948	7.7
87.00871	2.2
90.92403	0.5
93.03452	2.3
109.02933	0.6
111.04508	1.6
122.70092	0.5
123.76751	0.5
127.04011	1.4
157.36330	0.5
173.04486	0.8
179.05661	0.9
191.05598	100.0
192.05946	4.0
219.27708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30732	0.8
52.95365	0.8
55.01884	1.5
57.03439	0.9
58.00585	3.4
59.01376	91.9
60.01702	1.6
61.97540	0.9
69.57336	5.4
71.01378	44.3
72.99313	4.3
73.02928	1.6
74.78458	0.7
75.78228	0.8
83.01389	4.4
85.02962	9.1
86.87672	0.9
87.00865	1.4
89.02440	54.3
90.02772	1.5
91.05520	2.2
95.01386	3.4
96.96010	0.9
99.00813	0.9
101.02440	30.3
113.02441	16.3
119.03499	24.6
131.03470	2.5
143.03435	2.0
147.08168	1.6
149.04515	1.3
161.04558	1.1
163.51794	0.8
166.25212	0.8
179.05571	3.2
209.04576	1.0
209.08208	1.8
243.58226	0.9
371.13422	100.0
372.13745	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	371.1344
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01870	1.8
57.03443	2.0
57.53384	0.8
58.00591	3.5
59.01376	94.7
60.01713	1.1
69.46287	5.7
71.01378	41.4
72.99303	2.9
73.02945	1.6
76.52892	1.1
83.01390	3.1
85.02943	9.7
87.00854	0.9
89.02439	55.9
91.05529	2.0
95.01373	3.6
101.02434	29.3
113.02438	16.9
119.03493	23.3
131.03491	0.8
143.03496	2.3
144.15930	0.8
145.13622	0.9
147.08197	2.1
149.04506	1.8
161.04526	1.9
179.05583	3.2
273.64786	0.9
292.44226	0.9
371.13419	100.0
372.13837	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	371.1346
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
55.82950	0.2
57.03438	0.8
58.99597	2.3
59.01148	0.2
59.01376	2.7
65.00296	0.4
69.74352	0.2
71.01372	0.9
71.61659	0.4
73.02925	0.2
79.95721	1.1
81.03452	4.6
83.01376	2.0
83.05007	0.3
89.02428	0.3
96.96001	0.6
99.00830	0.3
99.08157	0.5
101.02445	0.4
101.06078	0.7
102.98587	15.3
103.98898	0.4
107.01379	0.8
108.02219	0.3
120.99637	0.8
121.02924	0.4
122.03731	2.0
123.08149	2.1
125.02436	7.2
125.06072	3.8
126.02824	0.3
135.11813	0.3
141.09207	0.3
142.06609	11.3
149.02446	0.6
151.00363	1.5
151.01363	0.2
163.00706	1.8
164.01089	0.3
165.09192	26.1
166.09528	1.8
167.03406	0.3
176.04791	0.3
179.10745	1.3
191.07098	0.8
197.71930	0.2
209.08165	100.0
210.08488	6.6
222.02269	5.7
223.09721	0.3
233.08110	0.8
238.01746	0.7
241.12726	0.3
251.09235	0.9
266.01367	0.4
288.01111	0.2
311.54459	0.3
341.10294	0.3
356.12662	0.3
371.07819	0.5
371.13913	1.3
371.24503	0.4
372.02045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2072
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.90042	0.4
51.21701	0.4
55.01876	8.2
57.03442	7.6
58.00594	2.4
59.01376	62.1
59.85188	0.4
60.01703	0.7
65.85862	0.4
69.03452	0.5
69.99337	0.5
69.99610	2.0
71.01376	100.0
72.01723	1.9
72.99302	3.5
73.02940	30.5
74.03268	0.4
75.00867	1.5
81.03445	0.5
83.01381	16.5
84.02165	0.7
85.02945	47.2
86.00130	0.9
86.03288	1.6
87.00870	3.9
89.02438	28.2
90.02812	0.7
95.01376	7.6
96.95996	0.8
97.02974	2.2
99.00874	14.6
101.02436	83.1
102.02766	2.3
102.55286	0.5
111.00893	1.3
113.02441	42.3
114.02791	1.2
115.04025	0.6
119.03492	10.1
123.08157	0.7
125.02470	2.2
129.01927	1.9
131.03470	1.2
136.05365	0.5
137.09714	1.0
143.03473	5.3
149.04565	0.5
149.09648	0.5
159.02988	10.9
159.04276	0.9
160.03345	0.7
161.04543	55.0
162.04865	2.8
165.12868	0.5
179.05585	1.6
179.10796	1.8
205.03513	1.3
209.15446	10.9
210.15826	1.0
235.96500	0.5
248.03023	0.4
248.34138	0.5
341.10272	0.9
356.12585	0.7
371.15848	1.9
371.20685	61.5
372.21054	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30071	0.9
59.01365	6.0
61.98804	1.9
69.52106	1.0
71.01349	0.9
80.33263	1.0
83.01376	11.0
121.02948	3.7
136.05275	3.5
136.48483	0.8
291.26807	5.2
297.73788	1.0
309.27988	24.2
310.28247	2.9
318.26331	1.0
325.27441	34.0
326.27658	4.5
335.25943	1.2
353.26953	2.6
356.12604	1.5
371.15015	6.1
371.27991	100.0
372.28284	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	372.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15244	0.5
59.01380	3.9
59.28442	0.6
61.98819	1.3
69.26008	5.8
71.01385	2.2
89.02437	1.2
90.51593	0.5
96.95995	1.7
101.02449	1.1
103.04263	0.9
104.05057	26.1
105.05370	1.3
105.55452	0.5
108.02173	1.0
110.00114	0.8
110.07996	0.6
111.00785	0.6
113.02434	0.9
114.67296	0.6
120.04556	2.7
122.06087	1.7
123.00904	0.8
123.04503	3.8
123.14507	0.6
125.02456	1.4
134.06116	1.2
137.99568	1.1
139.00348	1.5
148.04036	56.3
149.04376	2.9
150.05576	1.0
151.04004	0.7
152.01125	1.0
153.01930	9.3
153.05554	4.0
154.02698	1.1
160.04010	2.3
161.02390	0.7
162.05573	0.9
166.05081	100.0
167.03452	1.5
167.05467	4.8
168.04250	4.5
169.01468	1.1
169.05096	2.5
176.03574	1.1
178.02690	0.9
188.03426	1.5
193.05083	1.4
201.18138	0.6
206.04568	9.6
210.04068	85.5
211.04359	5.7
224.05620	18.9
225.05983	0.6
252.05118	29.3
253.05415	1.8
269.29910	0.5
282.06232	2.9
302.16766	0.6
312.07220	2.3
315.10849	0.9
372.09277	3.3
373.07559	5.7
373.11600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91867	1.1
58.00588	1.9
59.01377	40.0
61.98831	8.8
67.89745	1.2
71.01382	17.9
72.99299	3.5
75.00898	1.9
81.03500	1.6
83.01385	3.8
85.02943	5.2
89.02435	14.7
95.01356	2.7
96.96002	3.7
101.02437	13.7
102.98614	1.3
107.01380	1.6
108.02174	8.1
109.02944	2.8
110.00093	5.4
110.17083	1.1
111.00868	2.8
112.29456	1.1
113.02441	8.0
119.03463	5.3
120.62204	1.1
121.02975	2.3
123.00832	4.1
123.04530	12.8
124.01640	2.7
125.02446	9.7
135.04454	1.3
136.01627	2.3
137.02409	1.8
137.99588	7.0
138.03214	1.6
139.00398	10.1
140.01016	1.2
149.02458	1.2
150.03166	4.6
151.00345	3.3
151.03972	5.1
152.01143	15.9
153.01930	84.9
153.05531	3.2
154.02689	10.9
165.05528	1.3
166.02705	3.4
166.05040	2.3
167.03470	28.2
168.04280	40.9
169.05045	22.6
177.05486	1.5
178.02686	14.8
179.03342	2.2
181.01070	1.1
181.05035	3.8
187.50920	1.3
193.05048	32.3
194.02251	1.3
194.05498	1.7
209.04521	8.5
211.02481	11.8
211.04282	2.4
211.06078	3.6
221.04478	1.8
253.03508	2.9
304.96732	1.8
308.29211	1.2
313.05743	1.8
341.08908	1.2
358.05121	2.7
372.95627	3.7
373.07675	100.0
373.11349	5.8
374.07910	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	373.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26227	1.1
54.25112	1.1
59.01369	3.0
59.20267	1.3
66.96101	1.1
69.03452	12.1
69.69493	5.6
71.05017	32.5
75.02412	1.2
79.05907	1.1
91.59882	1.1
93.03423	1.3
96.96008	4.8
104.27324	1.2
107.05058	1.9
111.44761	1.2
121.02969	16.0
124.37324	1.2
134.03717	10.3
142.65999	1.3
147.00870	4.2
147.08122	1.9
149.09702	6.3
151.00711	2.6
153.02341	1.8
161.14883	1.1
177.09193	7.7
190.99876	1.2
202.23280	1.1
221.08165	100.0
222.08517	5.0
227.42732	1.2
373.09515	4.5
373.21985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72145	0.4
59.01379	5.0
61.98829	4.3
63.42266	0.4
70.63574	1.1
71.01388	1.4
72.99329	1.1
75.00871	0.6
82.00587	0.7
83.01404	0.6
84.63808	0.3
85.02947	2.1
87.00859	0.4
89.02460	0.8
96.96009	0.6
101.02441	0.9
108.02167	0.4
109.02997	0.4
110.00089	7.3
111.00900	1.3
113.02448	3.2
119.03466	0.4
121.02982	0.4
122.03787	0.4
123.00909	0.8
124.01642	0.7
125.02451	6.3
126.02818	0.4
134.03741	0.9
136.01685	0.7
136.47722	0.4
137.02452	0.5
137.06085	0.4
137.99591	10.6
138.03172	0.5
139.00372	8.2
139.03969	0.5
140.01147	0.9
151.00266	0.7
151.04016	1.2
152.01143	2.3
153.01930	100.0
154.02718	10.8
155.03444	1.6
161.02495	0.4
166.02707	1.7
167.03484	8.3
168.04266	50.6
169.05052	24.1
170.05392	1.4
178.02701	0.5
178.99840	0.4
179.03447	0.8
181.05084	1.0
181.08801	0.7
191.03389	0.4
193.05028	1.2
196.03777	0.4
209.04517	1.2
209.21385	0.4
211.06171	1.8
211.09804	0.5
221.04561	0.5
226.71291	0.4
281.06683	0.8
331.10388	0.5
346.65280	0.5
367.65466	0.4
372.95602	0.9
373.07462	0.7
373.11389	3.6
373.14859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1136
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01865	0.7
57.03443	0.3
59.01100	0.4
59.01377	5.5
60.20155	0.3
60.65503	0.3
65.00305	0.5
67.01868	0.9
68.99798	0.4
69.03448	0.7
69.78510	1.6
71.01379	5.2
72.99292	1.0
73.02930	2.0
75.00861	0.3
79.01871	0.9
81.03476	0.3
82.95380	0.2
83.01396	1.9
85.02937	2.7
86.00092	0.3
87.00864	0.6
89.02422	0.9
95.01374	2.3
96.96017	0.8
97.02947	0.7
99.00860	1.0
101.02427	4.0
102.98602	0.4
107.01379	2.9
110.00091	0.6
111.00880	3.2
112.64841	0.3
113.02439	1.9
119.03465	0.4
120.99608	0.5
123.00878	13.4
123.04456	0.3
124.01704	1.4
125.02438	11.9
126.02724	0.3
127.00352	1.2
132.34775	0.3
136.98822	1.6
139.00368	6.1
139.07648	0.5
140.01155	4.5
141.01924	1.7
150.03314	0.3
151.00357	11.3
151.03944	0.4
152.00699	0.7
152.07185	0.3
153.01891	1.0
154.02742	0.3
154.99794	0.4
159.02934	0.4
159.06372	0.3
161.04526	1.0
163.03935	0.4
167.03532	0.5
168.00618	4.9
169.01407	16.2
170.01746	0.5
181.05029	0.3
193.04973	0.3
193.08658	1.0
209.04555	0.3
211.02339	0.4
211.09753	0.7
221.10356	0.4
243.07011	0.4
253.03506	0.3
313.05612	0.8
340.78470	0.3
373.11328	100.0
374.11649	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	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65574	0.3
52.64046	0.3
59.01381	4.0
61.62666	0.4
61.98835	0.6
70.61015	0.6
70.61355	0.4
71.01382	1.2
72.99301	0.5
73.02927	0.4
75.91632	0.3
82.00588	0.6
85.02952	1.9
87.00869	0.5
89.02480	0.4
96.96049	0.4
101.02454	0.4
105.86858	0.4
110.00091	8.0
111.00906	1.2
113.02452	2.8
123.00883	0.6
124.01640	0.8
125.02446	6.2
136.01625	0.5
137.02434	0.6
137.99580	9.3
138.03183	0.4
139.00377	7.9
140.01122	1.0
151.00380	0.4
151.03981	0.9
152.01149	2.4
153.01932	100.0
154.02707	10.4
155.03477	1.8
166.02679	1.9
167.03479	5.8
168.04271	48.5
169.01440	0.7
169.05055	25.2
170.05403	1.4
178.07509	0.4
179.03539	1.0
181.05054	1.0
181.08636	0.8
191.03448	0.5
193.05023	0.4
196.03690	0.4
205.47287	0.3
209.04468	0.8
211.06099	1.0
228.33118	0.3
231.64560	0.3
241.26608	0.4
281.06650	0.8
301.50058	0.3
331.10263	0.4
350.26303	0.3
372.95679	0.5
373.11398	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	373.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86639	0.9
54.14253	1.0
55.01873	4.0
57.03468	2.5
58.00587	2.0
59.01379	32.1
70.91546	2.4
71.01384	24.4
72.99306	1.7
73.02944	8.3
74.02810	0.8
79.95762	1.3
82.95401	1.6
83.01393	7.7
85.02953	11.5
86.00106	1.7
87.00885	4.5
89.02450	9.9
92.93997	1.0
93.69398	0.8
93.84995	0.8
95.01395	1.9
96.95997	1.2
97.02914	1.0
99.00880	2.1
101.02438	25.1
111.00896	1.6
113.02451	7.5
119.03520	3.7
120.99660	5.4
123.04550	1.4
137.02457	2.5
138.03134	0.9
140.84308	0.9
149.09662	1.0
150.03230	2.3
151.04045	3.4
152.04720	1.2
152.07191	5.7
159.03043	2.1
161.04608	3.5
163.04030	2.8
164.04778	1.8
165.05579	1.8
178.06401	1.4
181.05037	18.3
181.06543	1.1
182.05751	1.3
183.85834	0.9
196.07394	22.9
197.07979	3.2
204.06670	0.9
207.10310	1.1
211.09734	41.6
212.10158	2.2
225.07811	1.0
235.74440	1.0
249.06920	1.7
251.09312	2.8
252.09615	1.2
279.03131	1.2
327.08890	2.7
329.11404	1.3
329.15280	1.1
341.10199	1.0
343.08359	1.7
358.10709	3.7
358.13504	1.6
359.11166	1.3
373.15073	100.0
374.15491	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	373.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29012	1.0
59.01378	100.0
61.98849	1.3
69.50806	4.3
69.51232	3.9
71.01379	26.6
72.99308	2.1
73.02945	25.2
75.00864	1.2
82.95423	1.3
83.01381	8.4
85.02946	6.0
87.00854	2.0
89.02438	11.7
89.29789	1.1
95.01371	1.4
96.96006	5.8
98.20586	2.3
99.00842	2.1
101.02439	25.0
113.02457	11.4
119.03484	4.6
120.99650	1.3
131.03465	3.8
134.05995	1.4
137.02452	2.3
143.03552	2.7
149.04509	2.7
155.03441	1.2
161.04501	5.7
163.04041	2.1
173.11783	1.8
179.05588	1.8
199.47676	1.1
219.06627	1.1
220.93478	1.1
228.51694	1.4
311.10107	1.5
319.73300	1.1
335.17157	9.4
373.09525	2.4
373.14474	1.4
373.18692	3.2
374.13785	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	373.1861
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.29012	1.0
59.01378	100.0
61.98849	1.3
69.50806	4.3
69.51232	3.9
71.01379	26.6
72.99308	2.1
73.02945	25.2
75.00864	1.2
82.95423	1.3
83.01381	8.4
85.02946	6.0
87.00854	2.0
89.02438	11.7
89.29789	1.1
95.01371	1.4
96.96006	5.8
98.20586	2.3
99.00842	2.1
101.02439	25.0
113.02457	11.4
119.03484	4.6
120.99650	1.3
131.03465	3.8
134.05995	1.4
137.02452	2.3
143.03552	2.7
149.04509	2.7
155.03441	1.2
161.04501	5.7
163.04041	2.1
173.11783	1.8
179.05588	1.8
199.47676	1.1
219.06627	1.1
220.93478	1.1
228.51694	1.4
311.10107	1.5
319.73300	1.1
335.17157	9.4
373.09525	2.4
373.14474	1.4
373.18692	3.2
374.13785	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	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33499	0.8
59.01377	100.0
60.01715	1.6
61.98831	2.1
69.49983	5.4
71.01375	10.1
72.99321	0.9
73.02951	3.1
74.99102	1.0
83.01386	1.1
85.02959	5.1
87.00861	0.8
87.57002	0.8
89.02428	1.6
93.28208	0.9
95.01424	1.2
96.96001	5.2
99.00890	1.7
99.85323	0.7
101.02446	6.5
111.00883	0.9
113.02438	5.9
123.00872	6.9
129.74471	0.9
130.71004	0.7
138.03215	11.3
143.03494	0.7
143.73158	0.8
153.04433	1.2
153.05580	9.8
159.02992	1.3
161.04553	14.9
300.99823	1.3
339.07404	1.8
375.04291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11113	0.3
55.01896	0.6
58.00628	1.6
59.01377	3.6
61.98853	1.0
67.08361	0.4
69.53287	2.6
71.01379	4.2
73.02969	1.2
83.01392	0.5
85.02953	2.3
87.00860	3.1
89.02480	1.1
95.01428	0.6
96.96023	0.7
98.19847	0.4
99.00864	0.6
101.02464	2.6
105.03433	0.6
108.02298	0.4
111.00892	0.8
113.02435	2.5
116.74671	0.4
117.03419	0.6
121.02944	2.9
122.03751	1.3
123.04589	0.5
124.04103	0.6
129.01993	0.4
133.02919	0.4
136.04073	0.6
137.02454	0.7
141.01932	0.4
145.02956	2.9
146.03772	0.7
147.04507	0.9
149.02432	37.2
150.03217	47.5
151.03549	2.6
153.01912	0.3
153.05574	0.4
159.02934	0.6
161.02501	3.0
161.04506	4.0
162.03212	3.3
163.03981	1.4
164.04785	16.5
164.06166	0.8
165.05554	100.0
166.05891	5.6
177.05479	1.8
180.04234	3.7
195.06610	18.6
196.06908	1.2
207.06581	0.6
316.10294	0.5
327.07538	0.5
327.10785	5.7
328.10721	0.4
331.33170	0.4
355.69357	0.4
375.01630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03443	3.3
58.00587	3.4
59.01378	90.2
61.98825	2.1
69.03451	1.6
71.01379	49.2
71.59879	1.0
72.99295	4.6
73.02944	10.2
74.99126	1.7
75.00881	2.2
79.95732	2.4
80.96518	2.3
83.01382	7.8
83.01844	1.4
85.02949	24.8
86.00106	1.3
87.00882	6.4
89.02443	31.8
93.03437	1.7
95.01392	2.9
96.96011	4.6
97.02929	1.8
99.00887	3.1
101.02441	39.0
108.32581	0.9
109.02917	1.1
109.06677	1.2
111.00871	1.3
113.01709	1.7
113.02451	23.0
113.64719	0.9
119.03500	15.0
119.05031	1.3
120.99696	2.2
123.04537	1.3
125.02469	1.9
125.09718	1.3
129.01935	1.2
131.03539	1.5
136.99117	1.3
137.04776	0.9
143.03493	3.0
149.04510	1.6
152.07150	5.5
153.07545	5.4
153.09218	5.2
159.03001	2.1
161.04527	14.3
163.04036	1.1
164.03418	1.1
169.12303	1.1
177.09198	6.9
178.88632	1.1
179.05617	6.1
179.07016	1.0
199.99556	1.0
213.11450	1.0
243.04071	1.9
249.07141	1.5
249.57239	2.7
255.08861	3.6
257.05466	1.2
258.06192	1.1
259.07288	2.8
271.07245	1.5
287.01743	1.2
287.10480	5.4
287.13168	1.1
315.14316	2.1
331.09161	3.0
331.17670	1.3
342.10934	1.5
357.15546	21.5
358.15790	1.8
374.60699	3.0
375.13031	3.7
375.16565	100.0
376.17038	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	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
55.08552	1.0
57.03435	2.1
58.00584	3.7
59.01376	100.0
71.01378	56.7
72.01715	1.7
72.99302	3.9
73.02936	5.8
83.01392	4.3
85.02947	15.6
87.00878	3.3
89.02439	62.7
90.02753	1.3
95.01384	5.6
96.95989	2.6
99.00879	2.3
101.02440	45.2
102.66987	1.0
113.02442	23.6
119.03495	34.0
120.03899	1.1
125.02448	1.2
126.74213	1.0
131.03508	2.9
140.49953	1.1
143.03474	3.2
149.04552	1.6
161.04538	6.4
169.12302	1.1
177.09206	1.6
179.05582	8.3
195.10228	1.2
213.05554	1.9
213.11273	1.5
244.86366	1.1
331.17740	3.1
333.56345	1.1
357.15610	11.4
375.16553	92.7
376.16821	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	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.2
61.98820	1.6
71.01379	10.9
71.59795	2.2
80.91689	4.3
114.62787	1.3
123.00898	1.4
134.11743	1.2
164.08525	1.5
172.14836	1.3
174.99298	2.7
177.09224	3.3
190.09891	1.2
192.11575	8.1
193.12173	1.4
205.12308	3.9
217.00275	17.4
218.09381	3.0
220.14671	43.9
221.15443	100.0
222.15877	7.9
236.10512	98.1
237.10728	8.1
243.56448	1.3
293.17566	47.5
294.17889	5.2
318.09711	4.0
375.17783	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01498	0.4
59.01358	0.4
64.75889	0.4
68.03719	0.4
73.19318	0.5
74.49666	0.4
74.99065	2.2
91.02216	0.7
93.00125	0.8
113.80365	0.4
143.05397	0.5
149.01006	0.8
159.08463	10.2
160.08743	0.5
161.06395	3.1
192.98148	0.7
193.75748	0.4
206.99641	0.5
209.01250	2.2
217.07100	1.0
275.05875	1.0
277.07541	1.8
289.07458	1.8
291.09079	98.4
292.09201	13.3
309.10165	0.6
348.12564	0.4
357.13858	1.8
359.15320	100.0
360.15515	17.2
360.20117	0.9
375.18460	9.5
376.18579	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	375.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03830	0.4
71.69052	0.4
74.99073	2.5
93.00127	0.9
98.19897	0.9
143.05379	0.8
149.00906	1.1
159.08458	12.6
160.08890	0.4
161.06421	2.8
180.49817	0.5
192.98116	0.7
209.01299	2.7
217.07156	1.4
261.04321	0.9
274.03915	0.5
277.07523	1.8
289.07480	1.5
291.09088	94.8
292.09238	13.6
309.10162	1.0
319.10632	0.4
343.12421	0.5
357.13812	2.2
359.15329	100.0
360.15488	17.4
375.18475	10.5
376.18671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78901	0.3
55.01864	1.0
57.03435	0.8
58.00579	1.7
59.01379	42.8
60.01704	0.5
69.32193	1.1
69.32607	2.3
70.00208	0.4
71.01380	21.9
72.01724	0.5
72.99329	1.7
73.02935	1.0
83.01381	1.7
85.02949	4.8
87.00869	0.7
89.02441	17.9
91.68182	0.3
95.01374	1.7
96.96005	1.7
98.95592	1.1
99.00866	0.7
101.02440	14.3
102.02807	0.6
104.72331	0.4
113.02444	8.9
119.03500	6.5
131.03461	0.5
135.82664	0.4
138.15430	0.3
154.08569	0.3
161.04546	0.4
183.13911	0.8
195.13893	10.3
195.95699	0.4
196.14227	0.9
213.14955	3.8
222.90367	0.4
357.19122	0.8
375.20200	100.0
376.20538	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	375.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54369	49.2
53.74949	47.8
55.72575	49.9
59.01357	77.8
64.80066	50.2
69.24967	47.9
71.57747	57.7
72.68947	53.3
73.54272	58.7
77.50285	53.7
108.45346	57.4
122.36044	52.5
163.11266	100.0
339.23404	72.8
355.45834	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	377.225
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16976	3.7
71.58993	4.9
111.68882	3.7
120.55308	4.1
122.03702	17.5
135.04515	11.9
136.01698	4.5
164.43950	3.4
317.93057	3.6
332.15897	3.7
341.24789	100.0
342.25256	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	378.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98826	100.0
62.52647	0.3
69.56373	0.3
70.32223	1.1
71.01385	0.7
72.01754	0.3
82.47093	0.3
85.02981	0.4
88.40115	0.3
88.53687	0.3
89.02433	0.6
96.96016	0.4
99.04561	0.3
101.02460	0.4
123.04558	0.5
129.05563	0.9
129.43295	0.3
138.05655	0.5
153.05621	0.8
180.03474	2.1
284.67477	0.3
327.96841	0.3
334.97211	0.3
338.25348	0.3
341.10931	0.4
342.08588	0.7
377.53503	0.4
379.12222	0.8
379.16498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0129
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
59.01369	2.2
69.36988	3.4
69.37407	1.6
96.96030	1.3
98.19910	1.2
131.94557	0.5
159.97243	2.3
163.48642	0.6
182.64441	0.6
227.03482	35.8
228.03764	2.9
255.02974	44.2
256.03571	9.0
257.04083	0.6
284.03241	56.5
285.03690	4.1
299.05588	100.0
300.05923	9.7
379.01279	13.0
379.20633	0.6
380.01559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08122	4.5
59.01365	23.5
62.17360	4.9
67.18755	5.2
69.94597	24.7
71.01390	43.7
73.02962	8.4
85.01005	11.0
85.02966	11.2
86.23669	5.6
87.00882	6.9
89.02433	26.8
96.96006	28.9
96.96931	9.7
98.20222	14.7
99.00900	28.2
101.02431	13.9
111.00886	12.9
112.98814	76.1
113.02445	8.8
119.03458	8.7
129.01924	10.7
141.00395	6.1
142.99867	58.0
145.01453	9.3
173.00900	73.3
173.02414	9.3
175.04568	9.6
179.05653	6.5
191.03650	14.5
205.03430	5.9
217.03072	9.8
217.05579	12.6
231.03139	8.6
233.04819	8.9
259.06628	7.2
318.60825	5.2
319.05200	11.4
319.08813	46.9
341.10782	47.9
342.11160	5.5
371.09924	6.5
379.07104	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	379.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08122	4.5
59.01365	23.5
62.17360	4.9
67.18755	5.2
69.94597	24.7
71.01390	43.7
73.02962	8.4
85.01005	11.0
85.02966	11.2
86.23669	5.6
87.00882	6.9
89.02433	26.8
96.96006	28.9
96.96931	9.7
98.20222	14.7
99.00900	28.2
101.02431	13.9
111.00886	12.9
112.98814	76.1
113.02445	8.8
119.03458	8.7
129.01924	10.7
141.00395	6.1
142.99867	58.0
145.01453	9.3
173.00900	73.3
173.02414	9.3
175.04568	9.6
179.05653	6.5
191.03650	14.5
205.03430	5.9
217.03072	9.8
217.05579	12.6
231.03139	8.6
233.04819	8.9
259.06628	7.2
318.60825	5.2
319.05200	11.4
319.08813	46.9
341.10782	47.9
342.11160	5.5
371.09924	6.5
379.07104	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	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01574	1.2
57.03448	1.8
59.01107	1.9
59.01378	30.8
60.01691	1.9
60.99299	12.5
61.98822	4.5
69.03432	2.3
69.84586	4.9
71.01377	12.0
72.99283	1.6
73.02943	12.9
74.54579	1.2
79.95745	1.5
83.01374	6.8
85.02937	4.4
87.00866	2.8
87.04491	1.6
88.98802	100.0
89.02433	8.7
95.25154	1.2
96.96008	6.5
97.02942	1.6
99.04519	2.9
101.02429	13.5
102.55560	1.4
109.02956	2.0
112.69508	1.3
113.02433	17.1
114.02753	1.4
117.04797	2.3
117.05582	33.6
118.05882	1.3
119.03465	3.6
119.60826	1.1
120.99634	2.6
123.04508	2.5
131.03439	1.9
137.02394	2.0
138.05623	2.3
154.12332	1.3
155.10757	14.9
157.08646	1.7
159.06577	4.9
161.04607	2.5
164.03403	1.3
170.11801	2.7
171.10201	4.8
181.08713	8.7
189.07700	4.1
196.06133	1.6
198.11395	1.6
199.09799	2.5
199.11624	1.3
216.12355	1.8
217.05023	1.5
217.08830	2.1
217.10809	34.9
217.12714	2.2
218.11107	1.4
245.08115	1.6
257.10229	2.8
259.11737	6.3
265.58246	1.2
268.30176	1.5
289.07126	3.4
309.89398	1.3
319.13770	1.8
341.10913	2.6
343.14188	1.7
361.02310	2.8
378.17593	5.3
379.03204	2.0
379.17236	12.8
379.23270	8.3
380.17767	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	379.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.3
59.01377	100.0
61.98816	14.4
71.01381	23.6
71.60620	3.7
72.99296	5.2
73.02937	6.8
75.00866	4.8
79.95733	7.0
80.05056	19.1
84.95125	5.6
85.02944	9.0
87.00823	3.7
88.21066	2.2
89.02438	24.0
93.29006	2.3
95.01386	3.2
96.63117	2.4
96.96010	58.3
97.02907	2.8
98.95587	6.7
98.96454	3.6
99.00874	3.0
101.02438	16.2
104.05048	4.9
110.97545	2.5
112.04012	4.0
113.02457	11.4
119.03481	8.7
120.99654	57.2
121.05365	3.1
122.06124	19.0
123.04514	3.0
124.04032	5.1
124.07664	6.4
131.03535	3.0
132.04559	19.8
134.06181	3.0
135.04482	5.8
137.05968	2.5
138.05586	3.1
140.07140	3.3
148.04037	31.2
150.05597	23.7
150.06700	4.3
151.05862	2.4
160.04027	2.5
161.02417	8.2
161.04597	14.5
163.07576	3.7
165.05571	3.8
166.04901	2.1
176.03545	6.9
178.05055	5.1
179.05582	5.6
180.07919	3.4
181.05083	2.6
181.08627	17.8
184.06128	4.7
192.03024	23.8
194.04568	46.7
195.04846	2.7
199.09761	3.3
200.07210	4.8
212.10783	6.1
212.63011	2.6
229.13353	2.8
230.11824	4.8
231.11336	7.0
240.09122	4.1
246.82738	2.2
255.11354	18.4
256.11731	2.8
273.12384	12.4
297.03314	3.0
299.10397	3.4
319.13968	11.7
341.10773	10.4
343.09357	12.8
343.13419	13.8
361.10406	23.4
378.56488	15.3
379.06757	7.5
379.11353	61.8
379.15833	20.3
380.11542	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	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	1.4
57.03442	1.9
58.00593	4.5
59.01376	100.0
60.01705	1.1
61.98827	0.7
69.03443	0.5
70.86354	0.8
71.01378	73.2
72.01722	0.9
72.99302	4.8
73.02940	6.3
74.99082	0.6
75.00890	0.9
81.03465	0.4
83.01388	4.7
85.02947	15.3
87.00887	3.7
87.04539	0.4
89.02441	92.3
90.02768	1.8
95.01387	4.2
96.96003	2.5
97.03001	0.9
97.06567	0.8
99.00880	3.7
101.02439	48.1
102.02802	1.8
111.00908	0.4
113.02444	28.6
114.02763	1.0
115.03996	0.5
119.03498	32.4
120.03803	0.6
120.99628	1.4
125.02439	1.8
129.01964	0.9
131.03496	54.3
132.03813	1.4
136.99040	0.6
137.02483	0.4
143.03488	7.6
149.04550	12.7
157.08655	1.3
161.04553	10.5
179.05602	23.6
180.05983	0.9
182.02202	0.4
191.05600	11.9
191.07352	0.6
191.19444	0.4
192.05925	0.4
197.04521	0.8
199.09660	0.6
213.49867	0.4
217.05048	0.7
221.06407	0.4
247.11850	14.6
248.12152	1.2
260.37689	0.4
265.09183	0.4
319.13736	0.5
341.10696	0.8
379.10928	1.5
379.15753	3.3
379.23431	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	379.197
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01859	0.7
57.03437	0.9
59.01377	70.6
60.01716	0.5
71.01378	12.4
71.61673	0.6
72.01706	0.5
72.99293	0.5
73.02951	5.7
75.00868	0.6
83.01376	2.3
85.02945	7.0
89.02444	1.9
91.34030	0.4
95.01375	0.8
96.96015	1.2
97.02945	0.5
99.00877	1.8
101.02436	13.0
102.02810	0.5
104.25012	0.4
113.02441	5.6
119.03529	0.8
126.58738	0.5
143.03566	0.5
161.04582	3.7
175.15343	0.5
187.07590	0.9
199.13298	2.0
231.10210	0.9
319.17511	4.2
320.18011	0.6
361.18640	8.5
362.18805	1.1
377.23645	0.5
379.19675	100.0
380.15292	0.8
380.20059	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	379.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03995	0.5
55.01869	1.4
57.03451	1.6
59.01378	87.2
60.01711	1.2
64.36491	0.4
66.79700	0.4
69.27161	1.5
69.27579	2.5
71.01379	12.9
72.99326	0.9
73.02940	5.3
81.21393	0.5
83.01395	2.9
85.02947	6.8
86.00105	0.6
87.00876	1.3
88.99989	0.5
89.02435	2.6
95.01398	1.0
96.83929	0.4
96.95982	2.3
97.02966	0.7
98.19751	0.4
99.00876	2.6
101.02444	11.7
113.02445	5.0
114.64216	0.5
119.03515	0.7
125.02398	0.5
129.01895	0.5
143.03413	0.6
153.12842	0.4
159.03009	1.0
160.96242	0.4
161.04539	3.7
183.06471	0.4
187.07697	1.1
187.85229	0.4
199.13406	1.9
199.15128	0.5
231.10399	0.6
319.17554	4.9
320.17703	0.7
361.18576	9.1
362.18881	0.8
379.19696	100.0
380.20020	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	380.156
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03458	0.8
58.00597	0.6
59.01378	19.4
61.98830	8.2
63.99237	0.5
70.85513	0.6
70.85847	0.9
71.01377	30.6
71.05017	6.7
72.99306	1.0
73.02936	2.2
75.00828	0.5
83.01378	1.2
85.02949	3.8
87.00869	1.1
88.04045	4.6
89.02445	9.0
90.71481	0.4
94.04313	0.4
95.01379	1.5
96.95998	1.5
99.00892	0.5
99.04520	2.0
99.68529	0.4
101.02448	9.0
113.02425	5.3
116.03588	0.4
116.07201	0.9
119.03481	3.2
120.99659	0.8
125.02399	0.4
128.07211	2.1
128.08047	0.4
129.05566	0.7
131.01756	2.1
131.03418	0.5
131.35399	0.4
137.02477	0.6
138.05588	0.8
143.03526	0.6
146.08221	59.0
147.08597	1.9
151.00487	0.6
161.04536	1.5
169.01457	0.8
180.03459	2.2
200.09297	1.0
217.00281	0.6
218.10350	0.8
218.85497	0.4
241.45143	0.4
252.98848	0.5
263.11423	1.0
299.07712	0.9
308.13556	5.8
321.15497	0.7
362.14438	1.4
380.15591	100.0
381.16025	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	381.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04399	0.3
57.55706	0.4
59.01364	0.8
63.02394	2.8
65.00318	5.3
67.98554	0.4
71.35886	0.7
74.43478	0.4
81.47913	0.3
83.01376	4.3
96.95973	0.8
107.01385	12.0
108.02171	4.6
109.02454	0.5
109.53783	0.4
122.25298	0.4
123.04551	1.8
124.12469	0.4
127.31609	0.4
128.00990	0.4
134.03723	14.2
136.01672	3.0
149.06061	14.6
150.06459	0.7
151.00356	37.0
152.00687	1.5
164.01143	6.0
165.01906	1.5
165.10710	0.4
169.01418	1.1
174.03207	1.0
177.01897	6.0
196.00139	2.0
199.03987	0.6
201.01947	1.0
217.21599	0.4
217.23917	0.4
242.05807	0.6
257.08224	0.5
285.04037	0.7
286.04865	2.1
301.07138	100.0
302.07474	11.9
356.33038	0.4
381.02802	22.8
382.03018	2.3
387.14822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
58.00580	0.9
59.01379	21.6
61.98826	10.8
64.27172	0.6
69.03453	1.5
71.01004	1.3
71.01380	21.2
71.05008	0.6
71.12304	1.3
72.01713	0.9
72.89834	0.6
72.99316	3.0
73.02927	2.2
75.00871	11.7
83.01373	0.9
85.02947	22.3
86.33794	0.7
87.00874	10.3
87.02739	4.0
87.04514	8.9
89.02431	8.2
95.01371	3.6
96.96014	7.2
98.95578	1.2
99.00874	5.6
101.02438	2.9
102.89386	0.7
102.98574	1.4
103.00376	2.2
112.01682	1.0
113.02444	36.4
114.02757	1.0
115.00385	1.7
117.01926	1.9
119.03537	1.0
120.99628	1.0
125.02431	2.1
129.01930	1.7
131.01721	2.6
131.03490	13.2
132.04549	2.3
134.04701	1.3
149.61989	0.6
157.01439	0.8
158.06111	9.9
158.23952	0.6
161.04512	1.4
169.01398	4.5
175.02504	1.9
176.03503	13.9
181.07727	1.4
202.05139	3.8
207.05031	1.0
210.99207	1.7
249.06104	6.7
261.08768	2.9
267.07187	100.0
268.07581	5.6
280.24057	0.6
283.04953	1.2
301.05615	2.1
321.11856	1.4
321.15500	1.2
381.01196	2.3
381.10110	8.9
381.14447	1.9
382.07574	1.9
382.11688	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	381.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65886	1.0
59.01382	5.1
61.98816	2.0
65.98692	0.9
69.91323	2.8
69.91735	1.7
71.01373	3.4
72.00909	2.5
72.04556	1.4
73.02934	1.1
75.00891	1.0
85.02956	1.8
87.00854	1.2
89.02448	2.6
92.05061	2.0
96.95999	2.8
98.20354	2.7
100.03989	1.5
101.02457	1.7
104.35222	0.9
113.02418	1.8
116.05058	4.1
128.05115	1.6
130.06644	1.5
131.01721	1.0
131.03732	2.9
132.04558	9.1
133.46091	0.9
142.06604	1.3
143.06081	1.4
144.04549	7.6
154.06580	1.9
155.06087	1.5
156.06923	6.7
157.05330	1.1
157.07677	7.3
158.04898	2.0
158.06042	6.4
159.05606	2.2
160.04033	9.6
167.06140	12.5
169.07700	4.9
170.06073	2.5
171.09276	9.0
172.04037	1.4
172.09514	1.4
173.07167	10.3
176.07144	1.4
179.06070	1.2
180.06888	1.3
181.07703	56.7
182.06075	2.4
182.07982	4.4
187.08774	3.1
188.05844	2.0
197.07204	4.2
199.08757	31.7
200.09094	2.3
201.06647	4.6
202.04964	1.3
213.06648	1.2
217.09834	2.7
219.07622	1.2
226.05113	3.2
243.07718	22.0
244.07996	2.0
249.06247	1.3
261.08780	100.0
262.09085	6.7
273.08810	3.7
291.10059	1.5
363.12064	4.4
381.12988	25.4
382.12915	2.1
399.88440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	4.7
59.96708	2.3
61.84421	1.3
61.98825	1.7
71.57523	2.2
73.54938	1.5
74.99065	22.7
75.96207	1.7
77.97665	1.3
91.02202	42.3
92.02168	1.8
93.00133	10.8
109.82051	1.5
117.65381	1.8
159.08458	100.0
160.08638	3.3
161.06390	10.9
184.40373	1.7
184.47581	1.7
198.77626	1.4
201.50955	1.4
299.40240	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	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
56.43665	1.4
57.03436	4.4
58.00581	1.7
59.01376	100.0
60.01686	1.8
61.98828	14.7
69.77088	4.8
69.77495	3.3
71.01377	55.8
72.99318	6.0
73.02945	31.1
75.00873	21.4
79.95738	11.7
80.96507	12.1
83.01369	6.6
83.05016	4.0
83.59013	1.8
85.02947	23.9
85.73045	1.3
87.00874	16.0
87.04513	47.2
89.02438	27.5
93.03445	1.4
95.01369	4.2
96.95992	14.3
97.02937	8.1
99.00876	5.2
99.04549	2.3
101.02434	29.5
101.06085	2.9
102.56016	1.5
103.04009	70.3
103.50758	1.5
104.04337	2.1
109.02930	2.2
113.02431	22.1
115.04011	33.1
115.05499	6.6
116.05053	2.0
117.01962	1.9
117.05556	6.7
119.03442	8.9
120.99620	3.7
125.02429	6.0
127.03909	1.4
129.01886	2.0
130.06599	8.0
131.03531	1.9
131.07120	3.6
132.04553	23.9
136.07724	3.3
137.02455	2.6
138.05580	4.1
143.03508	3.8
144.04558	1.8
145.05063	29.5
149.02415	2.1
149.04558	2.2
151.04099	2.2
157.05110	1.4
158.06100	86.3
159.10219	2.7
160.04005	3.9
161.04523	19.5
169.01404	6.5
174.05528	5.3
175.06081	5.2
176.03476	2.2
176.07077	1.5
177.01938	5.6
179.05585	2.2
202.05087	41.3
210.99173	3.7
217.00311	2.4
219.12241	2.6
220.06178	8.8
237.06084	5.9
249.06136	14.0
257.12827	2.8
259.84830	1.6
262.07513	2.1
299.14642	1.4
321.15524	47.5
322.15945	4.5
381.01151	4.9
381.08545	12.5
381.13879	79.1
381.17776	13.1
382.11209	63.9
382.18304	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	381.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00768	0.4
50.49285	0.4
50.79563	0.4
59.01376	100.0
59.82043	0.4
60.01718	1.0
61.98829	0.9
64.28358	0.4
68.50124	0.4
70.87160	0.9
71.01376	4.3
73.02942	2.1
75.00885	0.4
78.95904	1.1
79.95763	1.2
80.96526	1.2
85.02967	1.9
87.00860	0.8
90.62918	0.4
91.52461	0.6
96.96009	4.0
99.00867	0.8
101.02450	3.9
111.00878	0.5
113.02467	1.9
117.85566	0.4
146.64180	0.4
149.25391	0.4
152.99579	1.4
159.38351	0.5
161.04590	2.9
161.05844	0.5
176.08479	1.6
186.64513	0.5
191.42496	0.5
215.70561	0.5
219.13901	1.0
321.19122	14.9
322.19724	1.2
375.94659	0.5
381.11438	2.2
381.15860	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97340	0.5
60.09475	0.4
69.74368	1.5
69.74771	0.9
79.95738	6.3
80.96529	0.5
96.95994	1.6
142.06610	100.0
143.06966	4.6
158.06105	3.9
186.05591	2.1
222.02269	47.3
223.02612	2.7
238.01776	5.7
266.01166	3.8
268.83081	0.5
287.97763	0.5
312.51773	0.5
375.05161	0.4
382.09659	17.0
382.14661	0.9
382.20035	0.5
383.10165	2.2
383.19836	0.5
385.24500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09904	0.5
54.40051	0.6
55.01867	0.7
55.81683	0.6
57.11917	0.6
58.25864	0.5
59.01101	1.1
59.01377	11.8
61.98820	1.2
62.50907	0.6
65.99876	0.5
66.22305	0.5
69.49021	4.4
71.01378	7.9
72.99300	1.7
73.02962	1.4
75.00867	16.9
75.17542	0.6
76.01189	0.6
85.02948	2.6
87.00871	15.3
89.02426	4.1
99.00885	0.6
101.02453	5.3
110.51933	0.6
113.02464	2.8
115.05534	6.2
116.05073	2.9
119.03502	1.3
125.02450	0.9
130.06601	8.5
132.04549	27.2
136.23112	0.6
144.04570	1.3
146.06107	0.9
157.05296	1.1
158.06102	100.0
159.06454	6.2
161.02451	2.4
161.04500	0.7
174.05605	4.8
176.03525	6.0
202.05084	43.9
203.05386	3.3
220.06139	8.0
237.06107	7.8
249.06137	11.5
250.06438	1.1
262.07153	2.1
272.46198	0.6
274.59622	0.5
285.04092	0.7
303.05063	1.1
322.15955	0.6
323.17023	1.1
353.16064	0.8
382.11411	70.5
383.11737	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	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01745	0.5
52.95571	0.5
55.01867	0.8
59.01378	9.9
67.14199	0.6
70.01781	3.0
71.01376	7.5
73.02942	1.5
75.00457	1.3
75.00867	18.8
81.74808	0.6
83.01379	1.0
85.02946	2.9
87.00866	17.2
87.01366	1.1
89.02434	3.8
95.01376	1.0
99.00928	1.0
101.02448	3.9
101.27294	0.7
113.02419	3.3
115.05557	6.0
116.05052	2.9
117.01933	1.1
119.03475	1.5
130.06619	7.3
132.04547	28.2
133.04887	1.3
144.04546	1.4
146.06059	0.9
157.05363	1.1
158.06099	100.0
159.06464	6.0
174.05569	4.8
200.63348	0.6
202.05083	47.2
203.05440	3.7
220.06134	8.4
221.06456	1.0
237.06136	8.4
249.06165	11.6
250.06528	1.6
258.95355	0.6
262.07071	1.8
311.08328	0.8
382.11392	74.3
383.11835	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63984	0.8
59.01375	100.0
60.01701	1.3
61.21058	0.9
61.98804	1.8
71.60414	0.9
91.54531	0.8
92.67438	0.8
239.31676	0.8
322.27283	1.3
383.07764	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	383.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22964	1.0
57.03442	8.3
59.01364	2.2
60.71613	0.9
65.00326	3.2
66.53218	0.9
67.01916	0.8
69.56368	6.8
71.01395	2.0
83.01380	4.9
89.02439	1.5
95.01396	2.2
99.00902	0.9
107.01397	4.2
109.02981	2.7
113.02470	1.2
121.02972	2.0
123.00883	24.3
123.04511	5.7
124.01672	18.7
125.02442	100.0
126.02794	2.4
137.02449	2.6
147.04546	2.5
149.02437	5.4
150.03206	3.4
151.00340	12.6
151.04007	7.3
152.01198	7.5
153.01952	15.8
161.02492	1.4
161.06110	1.2
163.04022	1.9
165.05602	1.7
171.04578	1.5
174.03221	3.4
175.03995	17.8
176.04309	1.2
177.01947	24.0
177.05550	19.3
178.02295	1.7
178.06026	1.4
178.99866	11.9
180.00557	1.1
181.01421	3.9
187.04013	1.2
188.04816	2.1
189.05588	3.4
191.03520	3.9
193.05090	2.4
199.04010	9.5
201.01991	2.4
203.07086	4.5
213.05548	2.1
217.05042	13.2
220.07426	3.8
221.08185	11.1
231.06674	2.2
233.50595	1.2
241.05092	7.3
243.03011	1.6
257.04684	1.0
259.06152	5.3
275.05569	6.8
285.04025	73.6
286.04346	7.6
303.05078	95.4
304.05411	9.0
334.62799	1.2
383.00757	30.6
383.13654	4.5
384.01013	2.8
384.13965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74234	0.4
58.87570	0.4
59.01378	3.5
60.51018	0.4
61.98826	1.3
69.97790	1.2
69.98198	0.9
71.01363	0.7
72.99313	0.6
79.95737	0.8
80.96515	0.6
85.02955	0.9
87.00814	0.6
89.02411	1.1
95.01415	0.4
96.96019	3.0
101.06052	1.4
125.02417	1.1
131.03639	0.5
135.08174	1.3
137.02431	1.0
142.06609	3.8
154.00929	0.7
158.06107	7.0
165.01724	0.5
173.02431	1.0
174.05626	1.2
179.01672	1.1
189.01881	1.1
191.38734	0.5
202.05058	3.3
217.01399	1.0
220.06163	1.4
221.08389	0.9
222.02263	1.4
238.01732	0.6
245.00888	23.2
246.01221	1.5
249.29068	0.5
251.07523	3.3
273.00385	73.3
274.00739	7.3
282.00763	0.7
288.02737	100.0
289.03033	8.5
295.06674	0.6
300.99863	2.3
303.05066	76.8
304.05472	7.6
304.11874	1.7
341.19669	1.1
383.00760	23.8
383.12695	1.1
383.17447	1.3
384.01059	1.8
384.07483	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	383.0769
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01361	2.8
62.62644	0.9
71.01376	1.6
71.60266	1.1
87.00840	0.9
96.96017	1.3
143.07043	1.0
152.61192	1.0
195.08191	1.5
227.03416	1.5
241.05153	1.4
249.05653	1.5
251.07053	1.4
252.04379	1.6
252.22041	1.0
253.05080	1.2
265.04944	1.2
267.03146	1.6
267.06412	1.8
269.04318	1.1
272.03360	1.3
277.05054	1.2
279.06589	1.4
281.08157	1.4
295.06201	1.8
297.03836	1.3
300.02759	1.5
309.03995	2.6
309.07629	3.0
319.02664	1.2
323.05478	1.7
325.03397	3.2
326.04285	1.6
327.08673	4.4
337.07159	2.7
339.05121	4.9
340.05606	4.9
353.06628	4.0
354.03632	1.6
354.07510	7.1
355.08163	26.1
356.08594	3.2
365.06598	2.3
383.07687	100.0
383.20560	2.6
384.07980	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	383.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06516	0.3
59.01371	1.1
59.70765	0.3
60.24269	0.3
70.07326	1.0
71.01370	1.0
73.02923	0.4
85.02946	7.1
87.00862	1.5
93.00217	0.3
93.03445	2.4
94.92953	0.3
97.02853	0.4
105.20273	0.3
109.02930	0.8
111.04520	0.6
113.02419	0.5
122.09434	0.3
127.04039	1.6
133.05042	1.5
140.52940	0.4
145.84398	0.4
171.03131	0.6
173.04529	0.8
191.05597	100.0
192.05927	4.3
197.41481	0.3
198.55031	0.3
234.27867	0.3
249.06143	1.3
261.98746	0.3
383.12018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
64.50676	0.3
67.01892	0.3
69.48444	2.2
71.01375	0.9
81.03454	0.3
85.02946	8.3
85.14722	0.3
87.00864	1.7
93.03467	2.5
98.20594	0.5
109.02980	0.6
111.04498	0.8
127.03999	1.6
173.04543	1.2
191.05598	100.0
192.05948	4.1
201.28198	0.3
249.00163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1344
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
51.03854	0.9
59.01372	20.0
61.98792	0.8
66.40027	1.0
68.99791	1.2
69.77653	2.4
69.78086	3.2
71.01374	14.7
71.05036	0.9
72.99294	1.0
73.02928	1.8
83.01360	2.0
83.05038	1.5
83.76041	0.9
85.02960	5.2
89.02439	10.9
93.03449	26.5
95.01372	2.3
96.96013	1.3
101.02418	8.8
108.02151	2.2
113.02456	5.9
119.03487	2.4
121.02927	2.1
123.00816	1.0
124.01632	1.2
136.01662	5.8
136.07672	18.5
137.02432	63.9
138.02791	2.9
151.04021	1.1
161.04634	1.0
164.46675	1.0
171.11943	0.9
178.08716	12.2
179.03477	5.9
180.03876	1.2
200.30728	0.8
203.10760	1.9
209.04568	1.7
221.04553	1.0
221.11893	1.1
239.05513	4.4
281.06638	1.5
305.69467	0.8
383.13416	100.0
384.13800	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	383.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03691	0.6
50.20544	0.7
59.91233	0.6
59.95500	0.6
63.75495	0.7
67.81921	0.7
70.30540	1.2
70.30933	1.4
98.19949	0.7
100.88025	0.6
127.06963	0.7
319.00705	0.8
321.31601	63.8
322.31985	9.2
339.32727	2.0
365.30588	17.7
366.30933	2.2
383.31644	100.0
384.31958	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	385.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03431	1.4
57.44229	1.0
58.00567	1.0
58.13159	0.8
59.01376	35.3
61.98825	6.3
62.05784	0.7
69.97832	2.9
71.01001	1.2
71.01379	20.3
72.99284	2.1
73.02937	2.6
76.51139	0.7
83.01381	1.5
85.02956	5.6
87.00878	2.1
87.04450	0.7
89.02438	21.9
89.03935	1.2
91.01856	0.8
93.03461	1.2
95.01381	1.7
95.05023	1.6
96.95997	2.6
98.20579	0.8
99.00853	1.3
101.02444	13.7
105.03448	1.9
108.02198	0.8
109.02213	1.3
109.02949	25.1
113.02445	8.2
116.88509	0.7
117.03528	1.3
119.03500	9.4
119.05010	1.4
121.02941	2.7
123.04516	16.7
123.08235	0.7
124.04795	0.9
125.02411	1.8
131.03488	1.3
131.04993	0.9
133.02951	6.7
134.03725	2.6
135.54161	0.8
137.02396	1.5
143.03481	1.1
145.02914	1.6
147.04535	3.7
149.02408	2.7
150.03160	1.1
151.04002	12.4
159.04463	1.4
161.01276	0.9
161.02431	4.2
161.04550	4.4
161.05714	0.9
161.09689	1.2
162.03149	3.4
163.03998	1.2
167.88885	0.8
173.02364	1.4
174.01724	1.8
174.03143	1.0
175.04010	0.8
176.01120	2.2
176.04645	0.9
177.01918	39.2
178.02162	1.7
179.05530	3.0
183.08151	0.8
183.61098	0.7
185.03860	0.9
187.03998	7.2
187.11278	8.3
188.04807	2.8
189.01917	44.1
189.05493	1.6
190.02698	16.2
190.09995	1.7
191.03491	4.5
201.53787	0.9
203.03433	1.6
203.10689	1.5
204.03998	0.8
204.11426	1.6
205.04945	0.8
205.12361	8.4
216.00598	10.3
217.01396	14.8
218.01996	2.8
219.03012	7.3
222.01636	3.4
227.07062	3.9
229.08629	4.3
231.02968	3.3
232.03748	2.2
233.11894	4.1
253.04918	1.2
264.04294	1.5
265.04831	1.8
269.08286	1.1
277.14355	2.4
281.04514	14.5
282.04959	2.4
288.35339	0.8
297.07678	12.6
298.07843	1.5
323.05490	1.9
341.06625	100.0
341.38107	0.8
342.06946	9.0
385.05560	11.0
385.11200	4.6
385.18784	1.7
386.05872	2.6
386.10880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29256	0.9
59.01373	8.8
61.98828	2.0
66.60374	0.7
69.48843	4.7
71.01373	6.2
71.01705	0.9
71.73262	0.8
72.99293	1.7
73.02952	2.4
73.21328	0.8
74.99081	0.8
75.00857	2.2
83.01378	3.0
83.04983	0.9
85.02941	3.5
85.56509	0.7
87.00854	3.3
89.02440	2.7
89.03970	1.7
91.01883	1.2
93.03445	1.5
95.01375	1.1
95.05003	3.4
96.96000	5.9
99.00882	1.3
101.02425	3.4
103.05546	2.1
105.03446	1.7
108.02179	0.9
109.02209	1.5
109.02946	24.7
111.00911	1.0
113.02442	1.3
114.98607	1.3
115.00364	3.5
117.03465	2.6
118.98101	1.1
119.03502	1.3
119.04988	3.2
120.99595	1.1
121.02928	3.3
122.03777	0.9
123.04525	23.2
125.02409	2.1
133.02928	6.9
135.00778	0.8
136.99103	1.0
137.02425	1.0
137.06155	0.9
139.03990	0.9
145.02925	3.5
147.04523	7.3
149.02452	6.6
150.03204	1.3
151.03989	12.2
153.01891	0.9
153.62781	0.8
159.04488	2.9
159.06429	1.4
161.02461	5.7
162.03168	1.5
162.06828	0.9
163.03995	2.3
163.07608	1.1
164.04764	3.9
165.05348	0.8
173.02444	0.8
174.01683	26.5
175.00397	1.1
175.02411	3.7
175.03938	1.7
176.01118	1.6
177.01909	33.4
178.02315	1.9
179.03467	1.8
179.07127	1.8
180.07870	2.0
181.08664	2.3
187.03946	1.8
189.01917	99.3
190.02663	21.9
191.03465	18.3
192.03807	1.5
194.05721	0.9
201.01869	1.7
203.03453	8.0
205.05006	2.0
208.03712	2.0
209.08104	1.7
216.00586	13.9
217.01390	48.9
218.01926	6.0
219.02971	19.0
220.03207	1.3
223.06094	8.1
223.09593	1.2
231.02930	16.6
232.03545	1.3
233.04538	1.3
239.02220	1.8
239.09178	1.5
246.01656	1.8
261.03961	1.3
267.08578	1.1
295.08289	3.9
297.07849	0.9
305.03024	1.6
323.05353	1.8
325.09149	5.8
341.06619	100.0
342.06946	10.4
385.05841	7.5
385.11331	51.5
386.11508	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	385.1138
Annotation	Axitinib
Peak:m/z	Relative Intensity
59.01366	4.2
61.17048	0.7
62.69179	0.7
68.59085	0.7
69.36459	6.0
71.01381	1.9
72.99287	1.5
73.02934	3.2
75.00851	2.7
83.01371	1.9
85.02931	3.6
87.00855	2.9
101.02449	1.2
113.99609	0.9
115.00352	6.7
141.32457	0.7
152.04755	0.8
174.01675	52.3
175.02463	6.5
179.03494	1.9
209.08154	2.5
224.06732	0.9
239.09299	1.3
251.09294	1.0
265.07074	0.8
267.08655	3.5
295.08255	7.0
295.84851	0.8
296.08398	0.9
325.09232	10.5
326.09576	0.9
385.11359	100.0
386.11734	10.0
396.98196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21992	2.3
57.03433	11.4
65.29510	2.5
69.46778	21.0
81.03453	8.8
83.01382	11.1
93.03448	3.8
95.05016	6.1
97.02934	7.5
99.04486	4.2
107.05042	4.7
109.02940	8.8
111.04560	3.5
121.02920	4.8
122.03737	8.8
123.04501	3.4
125.02442	71.4
133.02885	3.2
135.04573	4.4
137.02438	100.0
138.02791	4.3
139.04027	3.8
146.03764	22.3
149.06018	4.4
150.03258	4.2
151.04002	4.0
158.00206	2.8
159.04488	6.7
164.01140	32.1
165.01923	74.3
166.02312	3.0
167.03497	40.6
168.03853	2.9
172.05234	7.3
173.06050	14.8
174.03168	7.6
174.06764	7.5
175.07637	39.5
176.04733	7.9
177.01959	8.9
179.03499	22.2
181.05118	3.2
187.04012	4.5
187.07631	6.7
188.04492	3.4
189.09166	5.1
190.02792	4.7
191.03407	3.5
200.04659	7.2
201.05478	4.5
201.09184	9.9
203.07133	23.0
204.04297	3.9
204.07497	4.2
205.08656	11.1
212.04738	4.3
217.08688	24.3
225.05495	6.0
226.06143	5.7
229.08684	31.8
230.08910	3.3
239.10771	7.4
240.07744	3.0
241.08589	3.5
247.09825	7.9
247.59393	2.7
251.06903	3.1
255.10118	8.6
257.12195	3.4
268.07388	4.4
270.08948	3.3
281.11841	8.9
283.09555	7.4
297.11227	4.4
299.12750	9.6
323.12827	29.4
341.09869	3.7
341.13770	5.1
367.11798	68.1
368.12201	9.4
385.12906	43.7
386.13162	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	385.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.5
59.01367	5.9
59.72968	0.9
67.01900	1.2
69.03448	3.0
70.45255	2.6
71.01376	1.8
71.09062	0.9
73.62700	1.1
74.95536	0.8
77.03948	1.1
81.03465	5.7
83.01380	11.4
85.02946	1.5
92.69765	0.9
93.03448	4.8
95.01362	1.9
95.05000	6.2
97.02938	8.6
97.06573	1.0
99.04510	5.5
107.05009	3.0
108.02200	1.0
109.02948	9.0
111.04451	1.2
111.88348	1.2
121.02972	7.4
121.06582	1.1
122.03755	5.2
123.04501	3.6
124.01624	2.9
125.02444	63.0
126.02776	2.1
131.05005	1.7
135.04500	4.0
137.02440	100.0
138.02832	3.7
139.03989	2.8
146.03729	19.7
147.04523	2.6
149.02437	2.9
149.06042	3.3
150.03207	7.3
151.04018	7.0
157.06628	1.1
159.04488	5.9
160.05214	1.7
161.02379	2.5
161.06042	2.1
161.09692	2.9
163.00391	1.3
164.01141	26.6
165.01924	74.0
166.02356	2.8
167.03488	31.0
167.04912	1.6
168.03876	1.8
172.05267	4.6
173.06067	14.6
174.03242	8.2
174.06824	5.7
175.04115	5.4
175.07631	38.2
176.04764	8.1
176.07971	1.7
177.01924	9.4
177.05144	1.0
177.09192	1.7
179.03484	18.8
179.10771	7.9
185.06117	2.1
186.06812	1.7
187.03964	4.0
187.07587	6.7
188.04710	3.2
188.08215	1.5
189.05510	2.3
189.09123	5.3
190.02664	5.1
191.03429	2.7
191.07068	2.4
199.07605	3.1
200.04781	7.6
201.05487	6.5
201.09232	9.0
202.06262	4.0
203.05385	1.7
203.07115	19.1
203.10732	1.3
204.04326	4.7
204.07809	1.3
205.08670	8.9
209.06013	1.4
211.03952	2.3
211.07678	2.6
212.04797	1.6
213.09171	2.5
215.07069	3.0
216.07950	2.1
217.05200	1.3
217.08653	16.6
223.09668	6.6
224.08376	1.3
225.05487	4.1
226.06282	3.9
227.07037	1.7
227.10757	1.6
229.08670	31.2
230.09047	3.1
237.09189	1.4
239.07156	2.9
239.10715	4.3
240.07762	3.3
241.08746	4.6
244.07286	1.9
245.08141	1.4
247.09723	15.9
251.07132	1.4
252.07848	2.2
254.09419	1.6
255.10286	4.6
257.11847	3.0
265.08588	1.8
268.07333	2.8
269.08072	1.4
270.08832	2.3
273.11353	2.3
279.10251	2.0
281.11841	6.3
282.12106	1.6
283.09760	5.4
288.06293	2.7
294.08868	3.8
295.09726	1.7
295.13107	1.5
297.11304	5.0
299.12854	8.3
299.77280	1.3
301.10712	2.3
305.11639	1.1
323.09116	2.0
323.12863	25.9
324.13223	2.3
325.10672	2.0
341.10291	2.3
341.14026	4.3
349.10745	3.1
367.11819	65.1
368.12183	7.7
385.07938	2.4
385.12866	42.7
386.13159	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	385.1291
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
57.03440	2.6
58.88661	0.6
59.99757	0.6
66.27414	0.5
69.02379	0.7
69.02760	0.6
69.03455	2.1
73.44126	0.6
75.40768	0.6
77.03979	1.0
78.11460	0.6
81.03499	0.7
83.01382	11.4
93.03445	3.7
95.01385	0.7
95.05029	1.1
97.02949	3.2
98.20716	1.8
102.88909	0.6
107.05033	1.1
108.02151	1.1
109.02948	6.4
120.92198	0.7
121.02943	5.1
122.03744	15.5
124.01655	2.6
125.02443	13.3
135.04485	1.2
137.02435	100.0
138.03099	4.1
139.03978	1.4
139.21988	0.6
143.82864	0.6
146.03700	0.9
147.04524	0.8
149.02419	4.0
150.03217	8.2
151.03963	2.8
154.02742	3.4
159.04489	2.0
159.70905	0.6
161.02477	2.3
162.03192	0.7
164.01132	8.8
165.01921	87.8
166.02342	5.0
167.03523	2.1
173.06062	2.0
177.01906	0.8
179.03479	7.8
180.03827	0.8
183.04463	0.9
186.03217	0.6
191.17409	0.7
201.05557	3.5
201.09242	0.9
216.97267	0.6
219.06409	0.7
225.05513	1.3
226.06334	1.2
230.36411	0.7
233.90816	0.6
243.06631	1.7
245.04599	0.6
259.06125	1.9
269.04489	3.2
270.05276	1.4
287.05597	7.6
288.06369	32.5
289.06760	3.1
323.12866	0.7
367.11911	2.2
385.12900	23.7
386.13065	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
59.01375	50.1
69.03430	2.5
69.62482	7.5
71.01373	24.4
81.03468	3.5
83.01386	10.0
83.05022	1.7
85.02961	8.5
87.00897	2.9
89.02447	25.7
95.01398	3.6
97.02963	3.7
99.04507	1.9
101.02429	16.0
109.02943	6.1
111.04591	1.8
113.02448	19.4
117.03446	3.3
119.03484	8.4
119.22240	1.9
120.05807	4.1
121.02970	3.4
121.10291	2.0
122.03771	2.6
123.04540	2.0
125.02438	21.0
133.10226	5.3
135.04523	2.8
135.11813	12.8
137.01442	2.9
137.02451	45.4
139.03983	2.5
143.08702	2.4
145.02972	7.1
146.03699	5.6
146.07385	5.0
149.09711	3.5
150.03217	9.8
151.04012	2.6
152.04839	2.6
158.15918	2.1
159.04514	2.1
159.08116	2.0
159.11723	4.1
161.09708	43.1
162.10042	5.6
164.01164	5.6
165.01918	25.1
167.03488	6.2
172.05302	3.0
173.06033	3.9
174.03256	3.5
175.04022	2.9
175.07637	9.9
177.01978	3.4
179.03534	7.2
179.05589	4.0
179.10762	100.0
179.95056	2.2
180.11072	5.5
187.03989	2.9
187.07597	2.9
188.04805	1.7
190.06335	1.9
200.04762	2.1
201.05582	2.9
201.09151	6.7
203.07140	5.3
203.10750	14.7
204.04234	2.0
205.08653	2.8
217.08716	6.1
221.11826	3.9
223.09758	67.8
224.10072	2.8
227.07150	2.3
229.08693	9.1
241.08752	2.2
247.09669	8.6
281.11807	2.5
288.06555	2.3
299.12927	2.1
301.03513	6.0
302.03717	2.0
309.80978	1.6
323.12646	4.8
367.11722	12.7
385.12549	15.5
386.13428	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77075	1.3
55.80944	1.2
57.03443	3.4
58.00588	1.5
59.01377	33.8
61.98835	2.7
63.82939	1.5
69.25940	6.7
69.26366	6.0
71.01379	29.5
72.99314	2.3
73.02943	5.0
75.00853	2.3
75.32021	1.5
77.08387	1.2
79.95754	1.5
80.96540	2.9
83.01388	4.1
83.05024	1.7
85.02948	11.6
87.00864	2.1
89.02444	17.7
93.03452	10.2
95.01403	3.3
95.05029	1.8
96.96014	7.1
97.02943	1.9
98.20623	3.3
99.00862	2.2
101.02450	15.2
102.98595	3.5
107.05019	1.4
109.02933	2.1
113.02451	18.0
119.03500	5.9
120.05775	2.3
120.99649	4.4
121.02964	4.8
125.02469	7.1
125.06078	1.8
133.10231	2.9
135.11787	14.6
136.01640	1.9
137.01443	2.8
137.02446	37.0
143.03555	1.4
146.03767	3.0
146.07355	2.2
150.03214	6.1
152.04764	1.8
159.08139	3.1
159.11755	3.3
161.04567	3.5
161.09714	23.8
163.11392	1.5
164.01138	1.7
165.01903	7.9
167.03409	2.2
173.05988	1.6
174.03178	2.0
175.07594	3.9
175.11217	1.5
177.12910	2.8
179.05698	2.7
179.10760	100.0
180.04207	1.9
180.11095	6.0
187.09685	2.0
190.70189	1.3
193.12280	1.8
203.07176	2.5
203.10724	8.7
204.11118	1.6
205.08681	3.5
205.12386	2.2
221.08539	1.8
221.11795	5.1
223.07559	2.5
223.09752	51.8
224.10085	3.7
247.09709	2.7
256.48929	1.6
261.07043	4.5
265.10852	3.8
297.11136	1.3
367.11844	4.1
385.15247	41.0
386.10226	4.9
386.15256	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06958	1.0
57.03438	5.6
59.01373	23.6
69.03449	4.2
71.01378	10.4
71.61790	1.8
73.02955	2.7
80.02679	1.2
81.03440	2.2
81.07099	1.5
83.01367	6.8
83.05016	2.2
85.02946	6.6
87.04494	1.7
89.02435	9.9
93.03460	2.5
95.01365	3.2
95.05016	3.5
96.30328	1.2
97.02949	6.4
101.02437	7.3
107.04974	1.6
109.02953	6.2
111.04492	1.9
113.02448	10.7
114.02751	1.2
119.03502	4.2
121.02993	3.0
122.03688	1.6
123.04485	2.0
125.02431	27.6
126.02726	1.9
133.10190	3.1
135.04486	1.9
135.11789	16.5
137.02434	55.0
138.90280	1.2
139.04033	1.6
146.03731	6.4
146.07347	1.8
149.02466	1.3
149.06085	1.3
150.03206	7.7
151.04042	2.2
158.06058	1.2
159.04477	2.4
159.06425	1.8
159.08165	1.4
159.11780	3.1
161.02396	1.6
161.04564	2.9
161.09700	14.3
162.10075	1.8
163.11215	1.5
164.01141	8.4
165.01920	28.7
167.03528	9.9
170.74962	1.4
172.05302	2.6
173.06017	4.3
174.03166	2.9
175.03955	3.6
175.07632	13.1
175.11107	1.5
176.04710	1.9
177.01970	2.4
177.09262	1.6
177.12796	1.9
179.03537	12.1
179.10756	100.0
180.11076	7.4
185.00772	1.7
185.06134	1.4
187.03998	1.5
187.07607	4.9
188.04759	2.1
189.05479	1.4
190.02667	1.3
191.03488	2.0
199.07541	2.4
200.04773	3.0
201.05550	1.5
201.09215	8.8
203.07097	7.0
203.10728	9.0
204.04344	1.5
204.11148	1.6
205.08649	3.4
213.09096	1.7
217.08720	5.9
219.10236	1.7
221.11783	2.9
223.07538	3.0
223.09737	62.2
224.10089	4.7
227.06996	1.4
229.08670	10.7
233.11887	1.9
247.09793	8.3
255.10272	2.3
265.10724	3.9
268.07260	1.6
281.11807	2.8
299.12936	2.5
323.12936	7.8
326.07620	1.7
341.14023	1.7
367.11743	18.3
368.11874	2.2
385.12659	21.7
386.13147	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80770	1.3
55.01857	2.3
57.03447	13.1
58.00593	2.4
59.01376	100.0
64.37724	1.4
66.67356	1.4
69.03449	7.0
69.46822	9.7
69.47236	3.5
71.00993	2.8
71.01379	38.6
72.99303	3.0
73.02934	8.1
75.86267	1.5
81.03457	4.3
83.01364	8.9
83.05011	1.7
85.02949	16.6
87.00871	3.1
89.02448	17.2
93.03452	3.5
93.41901	1.6
95.01378	5.5
95.05029	3.5
96.96000	2.4
97.02934	6.2
99.00867	3.6
99.04520	2.5
101.02444	18.2
101.50674	1.6
102.98579	2.1
107.05024	3.6
108.31133	1.6
109.02926	7.4
111.04514	1.8
113.02427	16.7
117.03535	1.5
119.03487	7.9
119.05017	9.2
121.02948	4.4
122.03739	3.1
123.04562	2.8
124.01651	2.7
125.02439	33.5
135.04510	4.8
135.11792	10.7
137.02434	77.6
137.09679	1.5
138.02794	3.3
139.04065	2.4
143.03470	2.5
145.02931	2.8
146.03734	8.3
146.07230	1.5
147.04533	2.0
148.68692	1.5
149.02441	1.6
149.06013	1.9
150.03242	8.3
151.00351	1.4
151.03979	4.3
159.03090	2.1
159.04456	3.6
159.11768	3.8
161.02432	1.6
161.04517	6.9
161.09702	8.9
163.04048	2.1
163.11269	10.6
164.01129	13.4
165.01917	42.8
165.09119	1.7
166.02309	2.3
167.03470	12.6
172.05283	6.0
173.06013	5.1
174.03194	4.8
174.06822	2.8
175.03969	2.9
175.07610	15.6
176.04756	2.1
176.07867	2.1
177.01903	4.4
177.09236	2.5
179.03493	14.0
179.10759	62.2
180.11105	3.3
181.12321	21.5
182.12572	1.8
185.00911	1.9
185.06079	2.9
186.06718	2.0
187.03989	2.1
187.07608	6.2
187.11252	4.5
189.05383	1.8
189.12798	4.6
190.02640	2.1
190.06342	2.0
190.10008	4.6
199.07639	2.6
200.04755	4.0
201.05527	2.7
201.09193	17.1
202.06219	2.4
202.09659	1.7
203.07104	9.2
203.10783	10.1
204.11369	2.6
205.08699	6.0
205.12312	6.3
209.05913	2.0
217.08658	6.2
219.10307	2.3
223.09744	42.5
223.13167	1.6
224.10104	4.0
226.06227	1.7
229.08673	14.6
239.69299	1.5
247.09694	12.0
247.13354	2.4
265.10898	2.8
271.02505	4.1
281.11826	4.8
283.09579	2.5
297.11319	2.2
299.12701	3.2
300.02780	3.9
301.03586	2.2
304.06009	2.5
316.17599	1.6
323.12915	6.7
324.12952	2.3
325.12930	3.1
341.10245	1.7
341.13934	2.1
349.10687	2.2
367.11810	22.6
368.12094	3.4
385.12708	26.5
386.09048	3.4
386.13535	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39191	1.9
57.03445	2.4
59.01378	41.6
64.67317	2.0
70.29043	8.6
71.01375	26.4
73.02930	3.4
83.01385	2.7
85.02940	7.2
89.02433	25.8
95.01408	3.8
101.02431	11.5
105.89012	2.2
107.05018	2.0
109.02910	3.1
113.02450	17.3
119.03502	5.8
120.05792	3.4
125.02439	9.0
133.10213	5.8
135.11777	20.5
137.02428	20.1
138.61436	2.0
146.03772	3.8
146.07384	6.0
149.09795	2.8
150.03165	6.2
159.11797	3.2
161.04480	3.2
161.09709	40.2
162.10037	3.4
164.01138	3.2
165.01945	14.5
167.03551	5.4
172.05322	2.8
173.06119	2.4
174.03168	2.8
175.07628	2.6
179.03510	4.7
179.05574	5.0
179.10757	100.0
180.11092	5.5
183.50461	2.3
201.09183	9.7
203.10719	14.1
205.08771	2.2
217.08765	2.1
221.11847	5.3
223.09731	68.8
224.10075	3.5
229.08589	4.0
247.09683	5.4
265.10858	3.0
298.02066	2.2
323.12875	2.9
367.11829	6.4
385.13196	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98712	0.3
55.01883	1.8
57.03447	5.6
58.00589	1.4
59.01376	100.0
60.01720	0.7
63.98341	0.5
65.53321	0.4
67.01866	0.4
69.03451	2.0
69.51889	2.3
71.01376	35.5
72.01706	0.6
72.99316	1.5
73.02943	8.1
75.00899	0.6
80.91698	0.5
81.03464	1.0
83.01382	5.5
83.05018	0.6
85.02948	14.6
86.00122	0.5
87.00883	3.7
89.02438	13.3
95.01389	2.9
95.05034	0.8
95.44231	0.4
97.02952	1.8
99.00877	3.6
99.04517	0.7
101.02436	19.3
102.98627	0.4
107.05015	1.9
109.02950	0.8
111.00871	0.4
111.08174	1.2
113.02442	13.1
114.02831	0.5
119.03512	4.7
119.04961	2.2
125.02439	5.5
129.01962	1.0
135.04544	1.5
135.08159	0.7
137.02441	10.1
137.09761	1.1
139.11272	0.5
143.03474	0.9
145.02943	0.6
146.03770	1.2
147.08192	0.5
148.05304	0.7
149.02496	0.6
150.03233	1.5
151.03989	0.5
151.11331	0.7
152.75009	0.4
153.12810	0.6
159.03011	1.7
159.04564	0.4
161.04549	6.1
161.05898	0.6
161.09705	1.8
163.04004	0.9
163.11284	13.5
164.01227	1.0
164.11627	0.8
165.01935	5.3
165.09157	2.7
165.12840	0.4
167.03514	1.3
171.08203	1.0
172.05370	1.2
173.06044	0.6
173.09734	0.4
174.03253	1.0
175.07642	1.8
176.04730	0.7
177.09259	0.4
179.03499	2.0
179.05623	0.7
179.10750	3.4
181.12331	27.7
182.12691	1.6
183.10271	0.7
185.06259	0.5
187.07658	0.8
187.11272	4.4
188.11586	0.6
189.09235	0.6
189.12846	5.4
190.09970	5.8
191.10498	0.6
199.07759	0.6
200.04886	0.4
201.05670	0.5
201.09171	2.0
203.07231	1.5
203.10854	1.1
204.11485	1.2
205.08882	0.6
205.12309	8.3
217.08803	1.1
219.10364	0.9
221.11980	0.4
223.09789	1.7
223.13446	1.7
229.08617	1.8
229.12299	0.9
242.94705	0.5
247.09665	2.1
247.13426	2.2
271.02698	0.7
287.05597	0.5
300.02670	0.8
304.06842	0.8
323.13083	0.7
324.06775	0.5
367.11746	2.9
385.13162	3.3
385.18341	0.8
386.09430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03452	2.2
58.00588	3.8
59.01376	100.0
60.01708	1.2
67.38892	0.7
68.99832	0.7
69.51438	1.5
69.51845	3.8
71.01378	86.6
72.01720	1.6
72.99307	5.1
73.02946	10.6
83.01389	5.5
83.69869	0.8
84.02208	0.7
84.74925	0.7
85.02945	23.5
85.03455	1.2
87.00871	14.1
89.02438	91.9
90.02802	1.3
95.01370	5.1
96.96014	1.1
97.02953	1.0
99.00881	4.1
101.02438	54.2
102.02787	1.5
102.79620	0.7
102.98648	0.9
109.02978	1.8
111.00921	2.3
113.02447	36.7
114.02773	1.0
119.03500	43.0
123.04488	1.8
123.08231	1.1
123.57365	0.8
125.02454	1.6
129.01978	2.9
131.03519	3.4
137.02458	2.8
137.04924	0.9
137.09665	1.4
143.03487	6.4
147.08255	0.9
149.04581	3.3
149.09746	1.2
151.04039	1.0
159.02992	3.5
159.08092	0.7
161.04544	14.4
161.05922	1.2
161.09756	3.9
171.08148	1.7
175.07689	1.7
175.11336	1.0
176.08385	4.9
177.01933	3.1
179.05597	11.5
179.07036	1.2
187.11267	35.4
188.11693	1.8
189.01984	3.7
189.09238	2.6
190.02652	1.7
190.09944	7.1
203.10788	1.7
204.11555	11.0
205.12312	35.5
206.12746	2.9
215.10789	2.7
216.00415	0.9
217.01379	1.4
219.03058	0.9
219.10236	1.0
233.11810	20.4
233.13979	1.3
234.12195	1.4
239.05725	1.3
259.13336	4.3
277.14447	9.2
281.04572	1.2
304.06940	2.6
325.09311	0.8
341.06586	8.9
342.06897	1.0
347.24457	0.8
385.11191	3.6
385.18774	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	385.1864
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	3.0
57.03452	2.2
58.00588	3.8
59.01376	100.0
60.01708	1.2
67.38892	0.7
68.99832	0.7
69.51438	1.5
69.51845	3.8
71.01378	86.6
72.01720	1.6
72.99307	5.1
73.02946	10.6
83.01389	5.5
83.69869	0.8
84.02208	0.7
84.74925	0.7
85.02945	23.5
85.03455	1.2
87.00871	14.1
89.02438	91.9
90.02802	1.3
95.01370	5.1
96.96014	1.1
97.02953	1.0
99.00881	4.1
101.02438	54.2
102.02787	1.5
102.79620	0.7
102.98648	0.9
109.02978	1.8
111.00921	2.3
113.02447	36.7
114.02773	1.0
119.03500	43.0
123.04488	1.8
123.08231	1.1
123.57365	0.8
125.02454	1.6
129.01978	2.9
131.03519	3.4
137.02458	2.8
137.04924	0.9
137.09665	1.4
143.03487	6.4
147.08255	0.9
149.04581	3.3
149.09746	1.2
151.04039	1.0
159.02992	3.5
159.08092	0.7
161.04544	14.4
161.05922	1.2
161.09756	3.9
171.08148	1.7
175.07689	1.7
175.11336	1.0
176.08385	4.9
177.01933	3.1
179.05597	11.5
179.07036	1.2
187.11267	35.4
188.11693	1.8
189.01984	3.7
189.09238	2.6
190.02652	1.7
190.09944	7.1
203.10788	1.7
204.11555	11.0
205.12312	35.5
206.12746	2.9
215.10789	2.7
216.00415	0.9
217.01379	1.4
219.03058	0.9
219.10236	1.0
233.11810	20.4
233.13979	1.3
234.12195	1.4
239.05725	1.3
259.13336	4.3
277.14447	9.2
281.04572	1.2
304.06940	2.6
325.09311	0.8
341.06586	8.9
342.06897	1.0
347.24457	0.8
385.11191	3.6
385.18774	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	385.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.4
61.03921	0.6
61.98825	100.0
67.80222	0.6
71.58691	1.4
130.08720	4.2
144.58398	0.7
166.68126	0.7
219.92137	0.7
259.59177	0.6
287.22211	1.2
322.20279	2.2
341.71274	0.7
385.08530	2.6
385.22565	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	386.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22479	0.3
57.35326	0.3
59.01376	9.5
61.98827	100.0
69.32929	2.3
69.33331	0.7
71.01378	4.0
73.02954	1.3
78.59714	0.3
78.95909	0.7
79.95761	0.5
80.96529	0.3
83.01389	0.6
83.05076	0.4
85.02971	1.1
87.00875	0.6
89.02436	3.0
93.03465	1.0
95.01373	0.5
96.96005	13.5
96.96985	1.4
97.55545	0.3
99.00891	0.4
99.04528	0.5
99.05659	0.3
101.02452	2.3
102.98594	0.7
109.02956	1.0
112.75301	0.3
113.02441	1.7
119.03488	1.2
119.04236	0.3
119.05042	0.6
120.99658	0.7
123.04542	0.5
125.02433	0.7
137.02423	2.8
149.02502	0.7
149.05922	0.3
149.32217	0.3
150.06876	1.3
151.07335	1.0
151.11351	0.5
152.01198	0.6
152.08159	0.4
153.01950	1.5
161.04558	0.5
162.06824	1.5
163.04033	0.6
163.07414	1.5
163.11252	1.6
164.04785	0.4
164.08072	0.7
165.05283	0.6
167.03513	1.0
174.01796	0.4
175.00366	1.1
176.00699	1.7
179.05653	0.5
180.04265	0.4
180.07925	2.5
181.05090	0.5
181.08467	4.2
182.05746	0.5
182.09009	2.2
183.06636	0.4
184.68733	0.3
190.02705	3.7
191.03029	5.2
205.05066	4.6
206.05383	8.4
207.10156	0.5
223.06110	1.0
224.06503	1.6
239.09355	0.9
248.06494	0.6
261.07193	0.4
262.04468	0.5
269.82364	0.3
326.13480	0.3
386.11545	2.5
387.12958	5.8
387.16815	6.0
392.27240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1294
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.01871	1.0
57.03438	1.6
58.00587	1.7
59.01377	39.6
61.98822	4.1
67.13328	0.5
69.45380	2.3
69.45802	2.8
71.01379	21.5
72.99299	2.3
73.02939	2.2
74.17130	0.6
75.00822	0.6
83.01376	1.7
85.02943	4.4
87.00852	1.4
89.02440	24.4
90.39039	0.7
90.78122	0.7
93.03456	1.4
95.01394	2.2
95.05003	1.1
96.96011	1.7
99.00939	0.9
101.02425	14.8
103.03986	1.3
113.02434	7.8
119.03503	10.0
120.99641	1.0
121.02939	1.7
123.00880	2.2
124.01673	1.3
125.02441	13.8
131.03458	0.7
137.02455	4.1
139.04083	0.8
143.03459	0.8
149.02454	4.2
161.04579	1.3
163.11292	2.1
177.01915	30.4
178.02415	2.0
182.35504	0.6
191.03519	0.7
192.04266	48.2
193.04681	3.0
207.06607	100.0
208.06937	5.4
212.22531	0.7
225.04021	1.1
225.07628	4.6
226.07979	0.9
239.05545	1.2
239.09236	1.4
313.12845	1.1
319.30258	0.9
351.16434	1.5
387.12360	5.4
387.17117	7.2
388.17151	1.0
390.64795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03440	1.2
59.01377	100.0
60.01705	1.2
64.53616	0.6
68.83191	0.6
69.76073	0.6
71.01380	16.1
72.01714	0.7
72.99320	1.5
73.02936	4.1
75.00893	1.4
79.86051	0.5
79.95755	1.8
80.96526	2.2
83.01377	2.0
85.02943	6.3
86.87019	0.6
87.00869	0.9
89.02454	3.7
95.01381	1.2
96.96037	0.7
97.02985	0.7
99.00904	1.8
101.02429	9.4
102.98621	0.8
111.03541	0.6
113.02458	8.5
113.76224	0.5
119.03486	1.3
120.99611	0.8
137.09708	2.7
143.03539	0.7
147.08195	0.9
149.06082	2.1
158.44272	0.7
159.02982	1.4
161.04549	19.9
161.05870	1.0
165.09200	47.6
166.09499	3.1
179.03627	0.7
221.09749	0.9
225.15056	1.1
261.07059	1.0
261.57346	2.0
262.07840	1.0
298.56418	0.6
311.10297	0.9
386.60681	1.3
387.11844	1.2
387.20386	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	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
56.04214	0.5
57.03445	2.5
58.00594	3.8
59.01377	100.0
60.01708	1.0
60.46801	0.5
69.03452	0.6
69.88198	2.0
69.88607	1.0
71.01379	55.5
72.01716	0.8
72.99300	4.0
73.02946	9.7
75.00889	0.8
83.01379	4.7
85.02952	17.8
87.00880	5.9
87.04515	1.2
89.02440	53.0
90.02799	0.5
95.01392	4.4
96.95998	1.6
97.02931	0.9
99.00880	3.1
101.02438	42.8
102.02769	1.5
102.98583	0.8
103.04030	0.7
108.02191	1.2
113.02449	21.6
119.03496	23.3
122.03710	2.6
125.02413	1.2
129.01988	0.8
131.03493	2.0
135.04529	4.7
137.02440	0.7
137.09729	1.4
143.03506	4.8
148.05301	1.2
149.04562	1.8
149.06053	4.3
151.11264	2.5
153.01949	1.9
153.12886	1.2
159.02939	1.7
161.04544	14.1
162.04784	0.8
163.07315	0.6
163.11285	2.5
167.07123	31.5
168.07436	1.7
179.05586	7.0
181.12312	0.7
183.06422	0.5
185.03912	0.6
185.30223	0.5
189.12833	2.7
191.70947	0.6
193.08525	0.6
195.06589	2.7
195.10216	0.5
204.22322	0.6
207.13896	1.9
221.09648	0.8
225.14957	13.5
226.15170	0.9
297.17102	1.1
312.12115	3.2
313.12894	71.8
314.13306	6.1
327.14340	0.6
339.14282	0.6
387.16455	67.3
387.20367	5.3
388.16699	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	387.202
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
54.45498	0.3
55.01875	4.3
57.03448	5.2
58.00592	3.6
59.01376	81.3
60.01707	0.9
61.68228	0.4
61.98820	0.5
63.06704	0.4
69.03453	0.9
70.96519	0.4
71.01377	100.0
71.06331	0.4
71.60550	0.8
72.01711	1.3
72.99302	4.8
73.02941	25.7
75.00874	1.5
75.08502	0.4
81.03439	0.5
83.01376	11.4
84.02177	0.7
85.02946	39.3
86.03287	1.2
87.00871	8.2
87.04516	2.4
89.02438	51.0
90.02772	0.5
95.01383	8.7
95.05020	0.7
96.96000	1.5
97.02932	2.0
99.00872	10.2
99.04491	0.6
101.02437	74.6
102.02769	1.7
102.98632	0.5
111.00923	0.5
112.94067	0.4
113.02441	44.0
114.02779	0.9
115.04015	0.6
119.03490	19.5
120.99660	1.1
121.06533	0.4
125.02443	2.7
129.01932	1.8
131.03517	2.2
135.08153	1.7
137.09705	6.4
143.03477	6.0
145.05070	0.6
149.04544	1.7
149.09724	0.4
149.84743	0.4
151.11256	7.3
152.11598	0.6
153.12837	5.2
159.02998	8.6
161.04541	45.6
162.04884	1.5
179.05598	5.9
181.12317	2.4
191.03485	0.5
195.13800	0.4
205.03525	1.3
207.13947	1.3
211.77603	0.4
223.13290	0.6
225.14943	48.4
226.15244	3.9
256.17929	0.4
271.06094	1.2
273.85709	0.5
297.17123	1.3
343.08249	1.1
371.70663	0.4
372.82178	0.5
387.07025	1.0
387.20172	57.3
388.20529	8.8
406.21106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34140	0.4
53.71020	0.4
55.01876	3.0
57.03445	2.5
58.00593	3.6
59.01377	100.0
60.01703	1.3
69.26572	4.1
69.26891	0.6
71.01379	74.8
72.01704	1.5
72.99303	4.1
73.02943	9.4
75.00873	0.6
80.98692	0.4
83.01384	6.2
85.02947	20.8
86.03285	0.5
87.00857	3.7
89.02441	75.7
90.02775	1.5
95.01389	5.4
97.02917	0.6
97.50246	0.5
98.20627	1.0
99.00874	3.8
101.02439	52.3
102.02763	1.0
102.64979	0.4
103.03963	0.4
111.00868	0.5
113.02445	30.9
114.02772	1.1
119.03498	32.0
125.02449	1.2
129.01912	1.0
131.03508	3.5
136.05243	1.1
143.03496	5.6
149.04562	2.1
152.08409	8.0
153.09096	1.1
159.02977	3.1
161.04547	16.1
162.04779	0.6
163.11302	0.8
179.05600	10.7
198.97743	0.4
207.13899	0.8
210.12553	1.3
225.14944	11.1
226.15291	0.9
267.74777	0.4
358.54846	0.4
382.23074	0.5
387.20206	63.5
388.20547	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	4.9
59.01378	57.7
61.98836	2.9
62.69401	3.1
71.01366	8.6
71.04999	7.7
71.58551	4.8
72.24896	3.1
85.02923	4.7
89.02441	5.0
90.95029	2.7
97.06573	8.8
101.02422	4.3
102.98629	4.2
109.34776	2.8
113.02446	4.7
120.99616	12.5
123.08099	4.3
125.09718	52.6
127.11251	3.1
133.65651	3.1
149.23163	2.9
151.07558	3.2
173.11818	33.6
187.09761	6.0
213.07619	13.5
221.19089	35.1
222.19417	4.4
249.72435	3.5
265.18054	26.2
283.19180	39.8
284.19501	4.6
343.21252	100.0
344.21353	9.5
369.19144	26.4
370.19357	3.6
387.20163	59.6
387.24728	3.7
388.20505	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	387.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03459	2.6
58.00594	3.8
59.01376	100.0
60.01713	1.7
64.00816	0.4
69.03468	0.9
69.76404	2.2
71.01377	58.3
72.01727	0.6
72.99303	4.4
73.02947	8.5
74.94411	0.5
75.00862	1.1
81.03443	0.8
83.01380	5.3
84.02129	0.4
85.02946	16.3
86.00120	0.4
87.00867	5.9
89.02440	53.2
90.02792	0.7
95.01382	4.4
96.96021	1.4
97.02918	0.9
98.19923	0.8
99.00867	2.7
101.02438	41.4
102.02785	1.0
103.04018	0.9
108.02200	1.0
113.02444	24.0
118.51302	0.4
119.03490	24.7
122.03757	2.3
123.04508	1.3
125.02446	1.3
129.01898	0.7
131.03508	2.0
133.10104	0.5
135.04524	3.8
137.02513	0.5
137.09683	1.4
143.03493	4.8
148.05327	0.8
149.04651	2.1
149.06065	2.8
151.11272	3.4
153.01939	2.3
153.12845	1.5
159.02975	1.4
161.04539	14.9
163.11266	2.7
167.07123	27.2
168.04301	0.5
168.07468	1.5
176.71649	0.4
179.05586	7.9
179.07086	0.4
183.06644	0.5
185.03693	0.5
185.54045	0.5
189.12813	3.0
195.06602	1.7
207.13875	1.6
221.09613	0.6
225.07805	0.5
225.14940	11.6
226.15279	0.7
297.17020	1.4
312.12183	2.2
313.12900	57.0
314.13272	5.3
339.14389	1.1
369.15393	0.6
387.16434	56.3
387.20346	5.4
388.16739	7.2
388.20648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.3
57.03446	8.2
58.00587	2.3
58.86294	0.5
58.99600	1.1
58.99881	0.5
59.01377	53.1
60.01712	1.0
61.44103	0.6
66.93696	0.5
67.01896	1.0
67.41767	0.5
68.99815	0.9
69.03457	1.5
69.34603	5.4
71.01379	100.0
71.05033	0.8
71.99075	0.6
72.01709	1.7
72.99315	5.7
73.02943	31.0
74.99065	0.8
75.00866	4.0
79.95737	3.7
80.96507	6.3
81.03471	0.9
83.01392	11.8
83.05043	1.0
84.02181	1.7
85.02948	48.1
85.16755	0.7
86.03312	1.3
87.00871	9.0
89.02439	21.7
94.98083	1.6
95.01394	7.2
96.96017	2.3
97.02943	2.0
99.00883	13.3
99.04518	0.7
101.02439	67.4
102.02792	1.5
102.98584	4.8
111.00883	1.8
111.04440	0.6
113.02445	40.6
114.02795	1.7
115.00360	7.7
119.03491	6.4
120.99669	1.5
121.06607	1.0
122.99088	0.6
125.02477	3.5
129.01955	1.6
137.02434	1.0
137.09679	3.7
143.03496	5.7
151.11308	0.7
152.08478	0.8
159.02992	10.6
160.03995	0.7
161.04555	48.9
161.13327	3.3
162.04883	1.7
164.98611	1.5
165.05547	0.6
165.09200	1.4
167.03494	1.4
167.10884	0.6
168.00629	0.7
169.01428	0.9
175.02502	0.9
179.03535	0.8
179.05626	2.0
179.10809	1.5
181.08804	0.8
189.12866	2.4
191.07034	0.7
193.03488	1.2
205.03601	1.5
207.13937	1.6
221.09798	1.5
225.00670	0.9
225.14946	7.6
249.06088	0.9
249.14987	3.7
251.05681	0.8
251.16586	0.8
253.06100	0.6
261.06943	2.7
261.57288	5.3
262.07233	2.0
265.08649	0.7
267.15997	3.2
281.09225	0.7
299.04486	1.4
300.04803	0.8
311.10367	2.9
314.46039	0.6
327.14459	0.9
343.08289	0.8
351.18222	0.8
355.09467	1.1
386.60614	4.5
387.13177	5.4
387.20206	74.6
387.60867	1.0
388.13464	0.5
388.15320	0.9
388.20459	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29771	25.2
54.02132	21.1
57.05975	24.2
59.01369	100.0
71.30241	21.7
71.57808	35.1
71.71523	20.2
73.72051	26.4
74.85307	26.2
94.03608	27.0
106.08654	27.4
111.00814	22.2
116.42558	24.7
167.21097	23.5
201.33351	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98846	0.2
70.74780	0.5
79.95726	6.9
121.02927	0.4
128.05063	0.4
142.06612	100.0
143.06958	5.1
158.06094	3.9
165.57335	0.2
186.05598	1.0
222.02274	57.5
223.02602	3.6
225.16849	0.3
238.01794	4.5
239.02106	0.3
266.01282	3.5
267.01410	0.5
285.78806	0.3
388.04865	6.4
389.05203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0874
Annotation	Hibiscetin 3,8,3',4'-tetramethyl ether
Peak:m/z	Relative Intensity
50.32141	0.7
55.71367	0.7
59.01105	1.2
59.01381	15.2
61.98825	1.3
67.01910	0.9
68.13448	0.6
69.03443	1.0
69.35378	5.4
71.01375	5.6
71.05018	0.6
72.99310	1.0
73.02946	1.6
74.04897	0.7
74.99107	0.8
79.95753	0.9
85.02947	1.9
86.23421	0.6
87.00875	1.1
89.02445	5.3
95.05025	0.6
96.96015	4.5
97.02947	0.8
98.95588	4.0
99.00866	2.0
101.02426	2.9
109.02947	1.1
111.00890	2.1
113.02415	2.0
115.04010	7.0
119.03500	1.9
120.99635	1.7
124.01648	2.2
125.02436	2.5
135.98398	0.8
137.02434	1.6
138.55429	0.6
139.03986	0.9
143.07019	1.0
147.04497	1.2
159.04550	1.6
161.04503	0.6
173.04587	1.2
173.06007	1.0
175.03987	2.1
177.01926	1.7
179.05621	0.8
179.10721	0.6
183.04520	0.9
185.06067	1.3
189.02028	0.8
190.02702	2.2
191.03430	1.8
191.07135	0.8
201.05573	0.9
202.02707	1.4
203.03494	24.0
204.04222	4.0
206.04353	0.7
207.10353	0.8
211.04083	2.0
215.03540	1.1
226.02696	0.9
227.03465	11.5
228.04243	1.5
229.05035	35.4
230.05573	2.8
231.06624	0.9
234.96391	0.7
240.03880	0.6
243.03006	3.0
245.08144	0.9
253.05052	1.3
255.02890	0.8
255.06560	3.0
255.10239	1.6
256.03741	2.6
256.07379	0.8
271.06189	3.1
271.09723	10.4
272.10248	0.8
273.04309	4.4
273.07712	4.2
273.11313	13.8
274.11646	1.0
283.06155	1.8
283.09763	4.6
285.07602	0.9
295.10806	2.1
297.07391	1.0
299.09238	10.8
300.09744	1.8
301.07230	2.6
301.10837	7.4
302.11154	0.8
309.07700	0.9
313.07190	0.8
313.11835	1.4
317.10287	1.5
325.17639	0.7
326.03259	0.6
326.07782	0.7
327.08710	11.2
327.12503	1.2
328.09274	1.6
329.10397	2.1
343.11926	1.3
344.08847	1.4
345.09854	6.1
357.10995	1.3
359.11349	8.9
371.07339	0.9
374.13654	7.1
389.08746	100.0
389.16296	19.7
390.09064	12.6
390.16696	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98018	0.3
55.01874	0.7
57.03439	0.5
58.00587	0.4
59.01378	10.0
65.00316	0.4
67.01871	0.7
69.03436	0.7
71.01377	8.2
71.13853	0.5
72.01675	0.4
72.99301	1.3
73.02942	3.4
74.99085	0.5
75.00871	0.4
79.01897	1.0
81.03465	0.4
83.01391	1.9
85.02947	4.2
87.00877	1.0
87.81863	0.4
89.02435	4.0
93.03420	0.3
95.01371	2.4
96.95979	0.9
97.02920	0.7
99.00844	0.8
101.02441	7.0
107.01372	4.0
110.00101	0.3
111.00886	2.6
113.02437	3.2
119.03468	1.5
120.99632	0.4
123.00881	15.8
124.01668	1.1
125.02443	16.4
126.02760	0.7
127.00361	0.8
136.98804	1.6
137.02458	0.4
138.99319	0.4
139.00371	6.0
139.03925	0.4
140.01181	3.4
141.01945	2.1
149.06093	0.3
151.00368	13.9
151.04042	0.4
153.01907	0.8
154.99910	0.6
155.69588	0.3
158.30896	0.3
159.02925	0.4
161.02461	0.5
161.04546	1.0
167.03378	0.3
168.00664	3.9
168.08200	0.3
169.01427	21.1
170.01738	0.9
177.23192	0.3
179.03439	0.9
179.05580	0.4
181.04945	0.3
194.05841	1.0
209.04836	0.4
209.08211	2.8
211.02417	0.4
227.09157	0.4
248.78416	0.3
253.03595	0.3
271.04626	0.5
300.99640	0.3
313.05640	1.7
353.96545	0.3
389.10846	100.0
390.11163	9.5
390.16199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1088
Annotation	Sagitol
Peak:m/z	Relative Intensity
50.25356	0.3
53.99291	0.3
55.01862	0.6
57.03452	0.3
58.00554	0.5
59.01379	10.1
61.98819	0.8
64.77393	0.3
67.01884	1.1
68.99806	0.3
69.03448	0.4
70.13064	1.0
71.01003	0.6
71.01382	8.6
72.99296	1.1
73.02950	2.0
74.99089	0.3
75.00877	0.4
78.86680	0.3
79.01885	1.2
83.00630	0.3
83.01376	1.6
85.02943	3.9
87.00875	0.7
89.02439	4.8
95.01384	2.6
96.96046	0.5
97.02953	0.7
98.20585	0.5
99.00854	0.7
101.02438	5.8
107.01389	3.8
111.00896	2.1
113.02448	3.6
119.03505	2.0
123.00884	14.2
124.01727	1.4
125.02442	15.6
125.08009	0.3
126.02818	0.5
127.00375	1.1
136.98799	1.1
137.02426	0.8
139.00363	5.7
140.01151	3.3
141.01958	2.0
143.03529	0.3
151.00363	12.5
151.01575	0.7
152.00708	0.4
153.01846	0.5
161.02412	0.7
161.04588	0.6
166.05067	0.6
167.03459	0.4
168.00626	3.6
169.01411	20.1
170.01782	0.6
176.04694	0.4
179.03487	1.1
194.05782	0.9
209.04469	0.4
209.08183	3.1
210.08559	0.4
211.02371	0.4
214.01532	0.3
227.09120	0.5
253.03401	0.4
270.85181	0.3
300.99786	0.4
307.82513	0.3
313.05606	1.8
329.94720	0.3
389.10855	100.0
390.11200	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	389.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
56.98042	0.7
57.03446	1.5
58.00601	4.1
59.01377	100.0
60.01704	0.8
61.42314	0.6
61.98830	5.3
69.58315	4.4
71.01379	62.4
72.01723	1.1
72.99305	4.8
73.02943	3.9
75.00884	2.3
83.01395	3.3
85.02948	12.2
87.00875	3.5
89.02442	82.3
90.02798	2.0
95.01378	4.6
96.96013	2.0
99.00880	1.4
101.02435	36.1
105.03433	1.0
109.02956	1.0
111.00993	0.7
113.02447	26.7
119.03500	33.4
120.99641	0.9
123.00884	2.5
123.04538	1.0
125.02452	3.1
131.03529	2.1
133.03009	1.1
137.02428	7.2
139.67583	0.6
143.03511	5.0
145.02988	0.7
149.04558	2.2
151.00417	1.2
151.04044	2.4
152.04823	3.1
161.02466	12.4
161.04524	4.1
167.07146	1.2
169.01436	2.8
176.04776	11.0
177.01787	0.7
179.03539	21.6
179.05620	6.3
179.07031	1.1
180.03873	0.8
191.07121	5.0
194.05823	27.4
195.06265	1.7
197.04640	1.3
209.08179	66.1
210.08443	4.0
212.06882	5.7
227.09233	13.2
389.09995	5.5
389.15018	10.3
390.15195	1.4
408.21277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47985	1.0
53.78539	0.9
55.01873	3.4
57.03441	2.7
58.00591	1.6
58.27329	0.9
59.01378	48.5
61.98820	6.5
65.34353	0.9
69.81374	3.9
71.01381	49.6
71.13251	0.9
72.99294	3.1
73.02946	13.5
75.00872	11.3
83.01384	8.1
83.12191	1.0
84.08568	0.9
85.02943	20.9
86.92221	1.0
87.00864	7.6
87.20399	1.0
89.01925	1.8
89.02443	21.5
95.01393	3.3
96.96015	5.3
97.02976	1.1
98.20586	1.4
99.00867	5.7
101.02441	38.9
107.05098	1.0
109.02941	4.9
110.06244	0.8
113.02441	19.1
119.03493	10.0
125.02442	2.2
131.03471	4.0
134.03764	1.1
137.02444	39.0
138.03084	2.1
140.01067	1.7
143.03458	2.5
149.06145	1.0
151.03999	2.0
152.04805	21.1
153.01936	0.9
153.05582	4.5
154.99849	1.1
159.03015	1.4
161.02438	1.3
161.04567	9.2
167.07129	5.8
169.01450	2.2
169.02890	1.0
170.02226	3.0
178.02612	1.1
179.03549	3.8
179.05588	2.5
181.01431	1.2
184.02200	1.2
184.03746	5.7
185.04599	1.0
193.05087	2.1
194.05800	4.8
197.04500	3.7
199.04321	1.7
207.06532	1.0
209.08170	8.4
212.06889	33.6
213.07251	1.9
221.06628	1.9
227.09241	100.0
228.09547	4.3
237.06151	9.1
301.00015	1.2
329.12238	1.3
345.10815	1.7
389.14529	86.9
390.14734	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.02298	0.6
57.03449	1.1
59.01374	11.7
71.01369	7.4
71.05032	0.7
71.60551	1.0
72.99287	0.8
73.02954	1.3
74.21851	0.7
80.18684	0.7
85.02954	2.4
89.02448	6.0
91.25191	0.6
95.01349	1.2
96.96008	3.7
99.00835	0.7
101.02434	4.0
109.02921	1.1
111.08154	1.7
113.02446	4.8
119.03508	0.9
121.02164	0.6
123.58549	0.6
137.02440	0.9
149.02368	0.9
161.04527	1.9
165.12842	20.5
166.13197	1.2
169.12370	0.8
171.10274	0.7
179.05544	0.9
183.13889	67.9
184.14276	4.6
195.40439	0.6
197.15462	2.1
201.11145	0.6
207.13885	1.7
209.11942	3.0
225.15102	1.1
227.12874	100.0
228.13174	7.5
235.67957	0.6
247.08531	0.8
251.12863	4.8
259.13715	1.9
269.13922	2.2
283.83130	0.7
290.07452	1.4
291.07745	3.0
293.13974	0.7
329.16013	1.1
345.26471	2.0
347.24438	2.0
371.11337	0.7
371.24719	0.8
389.08823	0.6
389.15939	2.2
389.17725	2.7
389.25458	9.1
390.25705	1.2
397.68524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73084	0.4
55.01875	7.1
55.96981	0.3
57.03444	5.3
58.00591	1.8
59.01377	46.9
60.01719	0.8
64.09089	0.4
67.01860	0.4
68.99821	0.4
69.03450	1.0
71.01378	100.0
72.01707	2.0
72.99306	3.1
73.02943	33.9
74.03283	1.0
75.00874	1.6
81.03467	0.5
83.01383	14.8
84.02191	0.9
85.02947	46.1
86.00086	0.6
86.03274	1.0
87.00874	4.7
89.02441	19.6
95.01385	7.6
96.96010	1.2
97.02969	2.4
98.19939	0.9
99.00874	12.5
101.02437	73.6
102.02764	2.2
109.02962	0.5
110.29375	0.3
111.00880	1.1
113.02445	43.6
114.02789	1.4
114.06444	0.4
115.04005	1.2
119.03492	6.8
120.99731	0.5
125.02447	3.2
129.01921	2.0
131.03473	0.9
131.08672	0.6
135.98338	0.7
137.09715	0.6
139.00374	0.6
143.03485	5.9
145.05070	0.5
147.11803	2.8
149.04512	0.7
151.03963	0.5
159.02975	11.9
161.04546	63.0
162.04883	2.4
162.68744	0.4
165.04016	0.5
166.06345	1.3
179.05659	2.4
179.10823	0.5
181.08691	1.2
191.07077	0.5
197.11830	0.8
205.03510	1.1
209.04472	0.4
227.16524	3.4
241.10773	0.9
283.71631	0.4
300.99875	0.7
359.11609	0.4
378.26025	0.4
389.21786	63.6
390.17337	0.7
390.22165	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	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	68.2
61.98810	18.6
69.42973	100.0
78.27912	12.4
101.55334	11.8
177.01546	11.8
226.10638	13.9
249.30452	14.0
383.07007	13.2
405.50439	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	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18880	1.1
55.40157	1.1
59.01376	100.0
70.61958	3.6
86.89371	1.2
108.81110	1.2
344.10803	1.1
362.56607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95905	0.6
55.83894	0.5
59.01377	100.0
60.01701	0.8
60.57462	0.4
61.98826	0.7
68.92346	0.4
80.96526	1.1
83.70097	0.4
92.55199	0.4
103.25311	0.4
114.87269	0.5
164.98625	0.4
182.42410	0.5
197.11809	0.6
202.85052	0.5
230.79514	0.5
231.50491	0.4
255.23421	1.1
389.19272	1.2
389.69226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03435	2.1
58.00569	2.2
59.01376	74.9
71.01012	1.9
71.01379	35.1
71.61792	1.3
71.62175	1.5
72.02149	3.4
72.52772	1.2
72.99301	2.3
73.02956	7.6
75.00877	1.5
77.86633	1.2
79.54248	1.2
80.02646	1.2
83.01373	3.7
85.02946	7.0
87.00882	1.8
89.02432	17.6
93.07063	5.4
95.01364	2.4
95.04501	1.8
95.05022	22.3
96.95996	6.0
97.02901	1.3
97.06573	1.3
99.00861	2.3
99.08133	2.9
101.01880	1.6
101.02446	18.2
108.02126	3.3
109.02931	2.1
109.06572	8.6
111.00927	1.3
111.08105	3.2
113.02447	11.1
113.06087	30.1
119.03501	6.6
123.00845	1.2
123.08138	8.0
125.02383	2.3
125.06025	3.4
127.07636	34.4
129.01985	1.2
133.01367	2.6
137.06071	100.0
138.06369	4.6
143.03445	2.2
147.04465	1.3
149.02359	1.5
155.05905	1.9
155.07126	34.1
156.07355	2.5
161.04562	7.8
163.51436	1.4
167.07143	11.3
170.63177	1.1
185.06151	1.6
185.07965	1.3
186.24525	1.4
229.14381	4.2
275.01752	3.4
275.08905	1.4
281.73825	1.3
295.10287	10.5
300.99786	3.5
331.17517	5.9
361.25659	1.5
381.51956	1.8
382.01974	2.9
391.03140	2.8
391.15851	93.0
391.27109	20.0
392.16177	9.3
392.27228	3.3
399.66919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47228	0.4
55.01875	0.7
57.03445	1.1
58.00618	0.6
59.01377	100.0
60.01710	1.6
60.50248	0.4
60.87038	0.4
61.98837	2.7
63.27948	0.4
63.96234	1.3
65.17583	0.4
69.03467	0.6
71.01380	17.5
71.05018	0.6
71.59407	0.4
72.99290	2.2
73.02944	7.9
73.98325	0.4
74.99097	1.7
75.00860	0.4
79.95727	0.7
81.03462	0.4
82.95412	5.2
83.01374	3.2
83.05029	0.5
85.02937	4.4
87.00904	1.1
87.04559	0.9
88.35087	0.4
88.98822	0.5
89.02441	11.3
93.03467	0.5
95.01393	1.5
96.96027	3.0
97.02966	0.5
99.00906	1.6
101.02441	14.5
107.01425	0.4
108.02190	1.7
109.02994	0.7
111.00882	0.7
112.39989	0.4
113.02444	6.7
117.97316	0.7
119.03490	4.2
120.99658	1.2
121.02978	0.6
122.99391	0.4
123.00880	2.6
123.04531	1.1
124.01656	1.3
125.02441	2.9
131.03513	0.8
135.98360	4.8
136.99187	1.1
143.03502	1.5
147.04567	0.5
149.02498	0.7
149.04628	0.4
150.03194	1.0
151.04012	0.6
153.05527	0.6
159.02946	0.6
161.04550	6.0
163.03964	0.6
165.05566	0.8
167.03456	0.5
167.10739	0.7
169.01437	1.8
169.08632	0.4
179.05547	2.6
187.13402	4.4
195.06572	0.9
201.01987	0.6
201.06622	0.7
203.03406	0.5
216.08928	2.8
229.01480	0.7
229.10826	1.0
244.08430	2.0
271.06143	1.0
271.15543	0.5
272.06918	1.2
275.01923	1.8
286.08420	0.5
287.09216	2.6
300.99860	3.7
317.10342	4.4
331.17606	6.8
343.11862	1.4
349.18616	10.2
350.19028	1.0
361.12952	1.8
381.51752	0.4
390.52655	0.9
391.02985	1.4
391.14069	2.0
391.19656	3.0
391.53137	0.8
392.19971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.0
61.98852	0.7
62.65225	0.5
64.80803	0.4
71.01379	7.0
72.99315	0.6
73.02942	1.3
79.34901	0.5
85.02945	2.4
89.02436	7.2
93.03444	5.8
95.01374	1.4
99.00881	0.7
101.02439	5.1
108.02171	6.6
109.02958	8.5
113.02418	3.6
119.03502	3.5
123.00880	0.7
137.02438	12.6
143.03467	0.9
147.04562	0.5
161.04561	1.5
162.19299	0.5
179.05646	1.7
281.06659	12.0
282.06870	0.8
310.15768	0.4
331.17526	1.4
391.10321	16.6
392.10495	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.9557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89307	0.2
59.01369	2.2
61.98824	0.3
63.00803	0.2
69.72643	0.5
69.73056	0.7
69.92278	0.2
71.01365	0.4
73.02941	0.2
73.57410	0.2
73.77186	0.2
75.00919	0.2
75.05856	0.2
76.48115	0.2
79.39581	0.2
85.02960	0.2
96.96004	0.7
101.02431	0.2
113.02403	0.3
120.99564	0.2
145.02980	0.2
157.02957	0.6
169.02899	0.3
173.02405	0.4
185.02434	1.5
187.00299	0.4
199.00375	0.4
200.01097	0.2
201.01920	0.8
213.01901	2.2
214.99742	0.6
226.99852	2.0
229.01405	1.0
230.01700	0.2
230.99307	0.5
241.01421	1.3
251.91377	0.2
252.44516	0.2
254.99303	3.0
257.00842	1.4
260.31912	0.2
268.00119	1.2
282.98831	4.3
283.99576	5.3
285.00394	9.6
286.00726	0.8
290.28189	0.2
310.98389	2.4
311.99063	0.6
312.99860	100.0
314.00211	9.4
314.04041	0.2
392.95490	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	392.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78236	0.7
59.01146	0.6
59.01380	6.5
69.65420	1.2
69.65833	3.5
70.50177	0.7
71.01396	1.5
72.68264	0.8
77.92030	0.7
81.01262	0.7
81.18348	0.7
82.60012	0.7
85.02923	1.4
96.96012	3.8
98.10340	0.7
98.20610	1.5
101.02454	1.4
113.02454	1.2
116.73277	0.7
123.08068	0.7
126.15538	0.8
132.53670	0.8
146.37244	0.6
245.98163	0.8
254.99307	23.2
255.99675	2.3
268.00064	1.1
270.01660	1.2
282.98819	44.3
283.99326	4.8
285.00446	3.3
297.00366	0.9
298.01157	97.5
299.01456	9.5
312.99863	33.4
313.03525	100.0
314.00226	2.9
314.03864	9.9
345.03607	0.7
392.99384	4.7
393.15656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24791	4.5
54.60672	3.7
55.84768	3.4
55.96318	4.0
56.29186	4.5
57.03451	13.6
59.01379	100.0
61.64860	3.8
61.98835	43.2
69.55991	30.4
71.01383	34.5
71.05020	4.3
72.99289	6.8
73.02953	24.0
74.99110	15.3
75.00880	7.0
80.05061	5.0
83.01389	5.8
83.05016	10.9
84.95132	13.3
85.02946	16.2
87.00883	11.2
87.04504	13.3
89.02452	15.0
93.03458	4.3
95.05021	6.0
95.87904	3.8
96.96021	29.9
98.20613	8.1
101.02453	14.3
101.82915	4.0
107.94633	3.8
109.02938	4.2
113.02437	15.2
119.03557	5.6
120.99650	9.4
122.06111	6.3
125.02491	7.1
131.03525	4.0
131.07164	6.3
134.03691	4.2
134.16977	3.7
135.04524	4.9
136.99170	12.0
148.03944	5.9
150.03181	7.1
150.05588	9.1
153.05373	4.0
154.14896	3.5
161.04591	8.6
165.05545	9.8
169.01408	6.7
171.10281	10.5
179.07117	16.0
182.05830	20.2
185.03876	10.8
187.13396	5.7
192.03072	11.9
193.06194	5.5
194.04475	5.4
195.06610	9.0
197.04634	4.8
197.08299	9.0
213.11360	6.8
217.14359	5.6
251.09276	4.6
261.13446	13.8
343.09189	4.8
361.10431	6.0
375.11697	6.3
391.27200	5.1
393.12564	63.9
393.17004	17.9
393.28757	83.2
394.28818	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	393.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59123	0.2
55.01869	1.3
57.03440	1.6
58.00594	4.4
59.01376	100.0
60.01710	1.1
61.98827	0.8
69.03458	1.7
71.01379	57.4
71.05030	0.3
71.59797	0.2
72.01707	0.7
72.99311	6.2
73.02943	26.2
74.03272	0.3
75.00872	1.4
81.03465	0.7
83.01385	5.3
83.05013	0.5
84.02180	0.3
85.02946	18.0
86.00092	1.5
87.00327	0.5
87.00869	9.8
87.04505	2.9
88.01205	0.3
89.02441	57.9
90.02772	0.7
93.03440	0.3
95.01392	2.6
96.96011	0.7
97.02942	1.5
99.00876	1.4
99.04515	1.1
101.02438	61.6
102.02794	1.0
103.00368	0.9
103.04008	18.9
104.04353	0.6
105.01939	0.3
109.02950	0.6
113.02444	14.8
114.02779	0.3
115.04009	5.6
119.03500	22.7
120.03819	0.4
120.99683	0.4
123.00861	0.4
125.02441	4.3
127.04018	1.9
131.03497	10.7
133.05020	0.3
143.03488	15.1
145.05066	7.1
149.04549	1.2
161.04546	3.5
163.06113	52.0
164.06425	1.7
165.05486	0.4
169.01434	1.3
170.01743	0.3
171.10313	0.5
173.04478	0.3
179.05602	8.1
205.07156	29.6
206.07500	1.2
247.08150	0.3
247.11884	2.1
261.13409	1.2
265.09219	2.7
300.99780	0.9
302.00171	0.7
307.10394	0.2
333.15732	1.3
392.53790	0.3
393.12589	0.4
393.17438	7.0
393.25299	0.3
394.17712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01377	100.0
60.01754	0.5
61.98827	1.3
66.37157	0.5
71.01376	7.5
71.60084	0.7
72.99340	0.7
73.02944	2.1
73.34310	0.4
75.00873	0.7
83.01421	0.9
85.02943	2.8
87.00884	0.8
87.04481	0.6
89.02433	5.8
95.01400	0.5
96.96036	2.0
99.00922	0.7
101.02423	5.0
102.29484	0.4
103.00379	0.5
109.02949	0.5
113.02430	2.8
114.85043	0.5
119.03513	1.9
120.99640	0.6
125.02473	1.1
131.03535	1.4
143.03516	0.5
143.04723	0.5
153.09247	1.9
158.48709	0.5
160.01691	0.6
161.04585	1.7
169.01398	1.0
171.10265	0.7
175.03941	0.6
179.05641	1.0
193.04947	0.5
261.13599	0.6
300.99570	0.5
333.15518	24.9
334.16013	2.1
357.11688	0.6
393.13080	1.6
393.17349	1.5
393.21634	2.5
394.17380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25179	0.4
54.63221	0.4
59.01377	100.0
60.01735	0.7
61.98829	8.1
65.86203	0.4
66.51159	0.4
66.55849	0.4
71.01379	5.6
71.06561	1.0
72.99326	0.9
73.02922	2.0
74.99120	0.5
79.95745	1.6
83.01404	1.0
85.02958	1.7
87.00889	0.6
89.02425	2.1
95.01310	0.4
96.73045	0.5
96.96013	3.9
99.00880	0.5
101.02438	3.3
111.00870	0.4
113.02421	2.0
115.07675	0.5
119.03530	0.7
119.99245	0.4
120.99679	0.7
125.02465	1.3
150.03262	0.6
159.03012	0.5
161.04526	3.3
166.35533	0.4
167.03577	1.3
167.07181	1.7
168.03903	0.9
169.01431	2.4
171.10297	0.7
175.86232	0.4
179.07130	0.7
182.05925	0.8
191.03604	0.5
197.08237	0.5
217.09171	0.5
246.09084	0.5
261.13379	0.8
273.11774	0.6
313.12906	3.6
317.11288	0.5
330.09177	0.9
333.19156	5.0
333.22089	0.4
393.08591	4.5
393.12476	0.6
393.16953	1.5
393.28979	0.8
394.29156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01722	1.5
61.98835	4.4
71.01378	5.3
71.59750	0.6
72.99310	1.0
73.02935	1.1
74.99093	0.7
75.00874	3.1
75.53693	0.5
79.69701	0.4
85.02944	1.1
89.02450	5.4
90.98630	0.6
93.40328	0.5
96.96017	1.5
101.02415	2.5
106.06618	8.2
107.06949	3.3
110.02435	1.1
113.02461	1.8
119.03500	2.3
119.82481	0.6
137.02502	0.5
143.03497	1.0
150.05598	6.8
151.05977	2.7
161.04575	1.2
164.07135	1.2
165.07483	0.5
179.05647	2.0
181.90765	0.5
194.04709	0.9
333.19022	2.3
356.09756	4.5
357.10239	3.8
393.12158	0.8
393.17331	2.0
393.21964	2.6
393.28638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01722	1.5
61.98835	4.4
71.01378	5.3
71.59750	0.6
72.99310	1.0
73.02935	1.1
74.99093	0.7
75.00874	3.1
75.53693	0.5
79.69701	0.4
85.02944	1.1
89.02450	5.4
90.98630	0.6
93.40328	0.5
96.96017	1.5
101.02415	2.5
106.06618	8.2
107.06949	3.3
110.02435	1.1
113.02461	1.8
119.03500	2.3
119.82481	0.6
137.02502	0.5
143.03497	1.0
150.05598	6.8
151.05977	2.7
161.04575	1.2
164.07135	1.2
165.07483	0.5
179.05647	2.0
181.90765	0.5
194.04709	0.9
333.19022	2.3
356.09756	4.5
357.10239	3.8
393.12158	0.8
393.17331	2.0
393.21964	2.6
393.28638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34171	38.7
59.09562	36.1
61.98813	100.0
75.81857	41.4
96.96008	66.0
146.53560	46.4
175.14432	48.9
210.73926	40.5
308.59033	46.8
400.25095	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	394.971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53165	0.3
64.00571	0.4
83.14705	0.3
98.20662	0.6
114.31452	0.3
130.29095	0.3
169.94499	0.3
200.01097	0.4
216.00673	1.3
242.99182	0.5
244.00238	0.7
299.99084	53.6
300.99387	5.0
315.01434	100.0
316.01788	9.9
316.05417	0.2
394.97006	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	395.0075
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
51.11948	0.3
59.01277	1.6
69.43101	2.7
71.01297	0.6
79.95642	0.5
84.46000	0.4
96.95885	2.3
102.98478	0.5
108.02084	0.9
135.00716	0.6
148.01552	0.9
151.00256	0.7
163.00284	0.5
179.10727	0.5
199.03845	0.4
216.04115	0.4
223.47693	0.4
226.02507	0.5
227.03326	1.4
243.02966	5.9
244.03172	0.5
254.02310	1.9
255.02962	19.0
256.03372	1.8
271.02454	41.6
272.02881	3.6
298.00992	0.7
298.98572	0.5
299.01636	0.7
299.99069	14.3
300.02658	100.0
300.99576	0.8
301.03006	9.1
315.01413	16.5
315.05008	93.7
316.01761	1.3
316.05368	9.5
395.00757	22.2
395.13675	1.2
395.20950	0.7
396.01123	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	395.0076
Annotation	Tamarixetin 3-O-sulfate
Peak:m/z	Relative Intensity
59.01379	1.9
61.98803	0.4
65.28019	0.4
71.01377	0.7
71.61585	0.7
85.02914	0.5
89.02443	0.5
96.95988	1.8
109.02914	0.4
123.00872	0.6
135.00809	0.6
142.06584	0.8
162.99156	0.4
163.00365	2.5
188.04799	0.6
189.12764	0.9
190.99844	0.8
199.03893	0.5
200.01158	0.8
216.04158	0.9
222.02364	0.5
225.42516	0.3
226.02728	5.3
227.03404	1.9
233.11795	1.2
240.13364	0.4
242.99208	0.5
243.02965	13.0
244.00015	1.1
244.03275	1.0
254.02194	5.6
255.02924	3.5
271.02451	59.9
272.02896	7.2
299.99091	55.2
300.02728	54.9
300.99408	4.9
301.03055	4.9
303.48099	0.4
315.01425	58.3
315.05096	100.0
316.01727	4.6
316.05405	9.8
375.04504	0.4
395.00748	17.7
395.21109	0.4
396.00839	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	395.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.7
59.01377	73.7
61.60127	3.1
61.98828	45.1
69.74693	2.9
71.01373	47.4
71.58726	4.4
71.59127	3.9
72.99303	5.6
73.02933	26.0
75.00878	9.0
79.95744	4.1
81.71052	2.8
83.01379	9.1
83.05024	7.5
85.02931	16.2
87.00855	8.0
87.04507	12.7
89.02438	36.6
95.01384	5.4
96.96008	100.0
97.02946	4.4
99.00878	4.8
99.04514	4.3
101.02437	39.5
101.06081	7.0
109.02929	11.8
111.04550	3.0
113.02453	30.4
113.06095	3.3
115.03962	5.0
117.05571	25.5
118.53540	2.9
118.97989	3.6
119.03474	10.3
123.04516	5.2
127.04002	5.9
131.03510	3.8
137.02351	3.8
138.03143	4.5
145.05061	5.0
149.04553	4.4
151.03984	6.7
153.01976	16.6
159.06586	8.3
161.04558	10.0
169.01329	4.4
172.03812	3.0
179.05540	9.8
197.04506	8.5
202.71965	3.2
230.41046	2.8
233.10207	7.4
240.97966	5.3
241.00229	57.7
263.11252	8.2
267.07190	13.4
315.07175	7.5
335.13348	10.9
335.17096	8.8
395.02744	56.6
395.11337	14.2
395.15701	51.0
396.02939	5.7
396.16144	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	395.1555
Annotation	Mirabegron
Peak:m/z	Relative Intensity
54.73130	0.6
55.01858	1.0
57.03439	0.9
59.01376	33.7
61.98810	2.1
66.71215	0.5
69.03442	2.9
69.72287	3.8
71.00996	1.2
71.01376	22.4
71.05027	0.6
72.99277	0.7
73.02941	42.2
73.25845	0.6
75.00869	1.6
81.03443	1.1
83.01382	18.4
84.86030	0.6
85.02943	4.8
87.04508	8.7
89.02439	5.2
95.01385	0.8
96.96026	0.9
97.02930	2.9
98.19888	1.3
99.00913	0.7
99.04514	1.4
99.08134	1.1
101.02436	31.7
103.04003	1.1
111.00926	0.7
113.02444	18.0
115.04006	5.9
117.05571	65.6
118.05900	1.9
119.03499	2.3
125.02458	0.8
127.04054	0.7
131.03508	3.6
133.04974	1.0
143.03436	1.0
145.08678	3.1
159.06618	15.9
161.04576	1.9
179.05695	0.8
189.07585	5.2
197.08203	0.8
203.44507	0.7
219.08644	1.9
230.00539	0.6
239.09129	1.4
249.06168	1.1
261.89014	0.7
335.17258	0.9
337.11411	2.2
395.15500	100.0
396.15799	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	396.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98824	0.5
62.56504	0.2
64.92014	0.2
66.81034	0.2
69.57557	0.7
69.57969	0.9
69.72877	0.2
73.33337	0.2
79.95736	6.4
80.96502	0.3
84.99456	0.3
96.96040	0.7
106.06627	0.4
114.92144	0.2
128.05045	0.3
129.05583	0.3
142.06616	100.0
143.06970	5.0
150.05569	0.4
155.18826	0.2
158.06107	4.3
163.00336	0.2
186.05618	1.5
191.05589	0.6
222.02286	48.1
223.02582	2.8
238.01787	5.0
239.01987	0.3
266.01239	4.2
281.90363	0.3
298.64557	0.3
299.99057	2.7
300.99435	7.3
301.99606	0.7
315.01486	1.9
316.01779	9.0
317.01978	0.8
396.07529	19.4
397.07733	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	397.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44522	0.5
59.01382	3.5
61.98829	2.8
67.01866	1.8
68.99479	0.6
68.99823	2.7
69.03440	1.0
71.01374	1.1
71.60480	0.7
72.99304	0.5
73.02934	1.0
75.00835	0.6
77.32444	0.4
81.03444	1.5
83.01376	4.2
85.02942	2.0
87.00868	0.5
89.02434	0.9
93.03426	1.9
95.01363	0.8
96.95998	2.7
97.02946	7.1
99.00864	0.7
101.02415	0.6
109.02950	10.6
109.92549	0.6
111.00880	2.4
113.02437	0.8
120.99644	1.3
121.02965	3.3
123.00869	1.4
123.03722	0.8
123.04527	8.3
125.02454	6.2
135.04498	1.2
137.02463	3.7
137.09700	1.3
139.03992	4.7
145.02928	1.2
146.86211	0.6
147.04474	1.5
149.02428	13.5
150.03198	0.9
151.00322	1.1
151.04016	6.6
152.01144	1.2
153.01935	6.9
159.04532	1.7
160.05334	0.8
161.02426	0.8
161.06029	2.1
162.03137	0.7
163.00345	4.0
163.03958	1.4
164.01106	1.1
165.01920	17.3
165.05571	0.6
166.02628	3.1
167.03450	2.3
175.03906	1.3
175.07571	1.6
177.01883	0.6
177.05489	0.7
179.03436	2.6
187.03941	1.7
188.04697	1.4
189.05495	0.7
189.09146	0.8
190.02725	0.7
192.00629	1.6
193.01404	3.8
193.08698	1.1
194.02148	0.6
195.02995	3.8
199.09761	0.7
201.05630	0.7
202.06422	0.8
203.03662	0.5
203.07149	7.0
205.05061	6.0
207.03026	3.4
207.10173	0.6
208.03508	0.5
212.04877	0.5
213.05479	1.2
215.03363	0.5
217.08665	0.6
221.08043	1.0
227.07153	1.1
229.05045	2.8
230.05815	1.6
231.03003	1.2
231.06563	4.1
235.09741	3.6
244.97562	4.7
245.08092	5.0
247.03719	0.9
247.06099	10.9
248.06566	0.6
249.06050	1.6
255.06569	1.1
256.35416	0.5
257.04718	0.5
273.07596	2.2
289.07166	4.4
299.05643	0.6
299.99069	1.5
301.99704	0.8
315.01431	1.6
315.04987	0.6
317.06619	100.0
318.06967	9.3
332.25406	0.5
397.02295	38.9
397.10980	1.7
397.15424	1.1
398.02560	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	397.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76109	0.7
57.03432	0.6
59.01367	2.6
61.98838	5.1
68.06456	0.7
69.70315	4.3
71.01374	1.6
73.02961	1.2
74.99093	0.8
83.01409	0.7
85.02940	5.9
87.00864	2.3
89.02448	1.6
93.03473	3.3
96.95982	1.6
109.02948	1.2
111.04533	1.3
113.02390	0.7
119.52772	0.9
127.03996	2.2
137.02458	0.8
141.00430	0.9
157.03560	0.8
167.01942	0.8
191.05595	100.0
192.05925	3.4
211.01025	1.1
218.82083	0.7
241.00533	1.6
249.06274	1.3
250.99255	0.7
293.00098	2.5
336.99332	0.8
362.02783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68499	0.5
57.88932	0.4
58.84629	0.4
59.01372	1.7
62.71305	0.4
66.69465	0.4
69.44102	0.6
70.97841	0.9
71.01362	1.4
72.44064	0.4
83.04988	0.5
85.02937	9.0
87.00854	1.7
91.52360	0.6
93.03443	2.2
106.04911	0.5
109.02942	1.0
111.04498	0.8
111.57341	0.5
127.04003	1.5
173.04573	1.0
186.80925	0.5
187.87688	0.5
191.05591	100.0
192.05907	3.5
249.06158	0.8
303.68243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1865
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
50.07076	0.4
52.38086	0.4
56.87903	0.4
58.00587	1.8
59.01381	9.0
61.98819	4.4
70.80431	0.4
71.01382	3.2
71.58642	0.8
73.02938	1.0
85.02956	1.4
87.04505	4.9
89.02464	0.6
95.05051	0.5
95.60798	0.4
96.60393	0.5
96.96017	0.9
99.09599	0.4
101.02434	2.0
107.04883	0.5
108.09638	0.5
109.02963	0.5
113.02455	1.6
113.06082	6.8
119.03493	0.6
119.04974	1.2
120.99651	1.0
137.09717	3.8
161.04579	1.9
165.05534	1.7
181.08653	0.5
189.12840	1.1
191.03632	0.4
191.05588	0.8
191.14418	1.7
199.09694	0.5
217.16010	0.8
219.02989	0.7
219.17590	0.8
229.15831	0.4
235.05986	0.7
239.14360	0.8
243.17627	2.4
257.15430	12.7
257.18033	0.9
258.15805	1.6
261.11292	7.8
262.11685	0.9
271.17099	0.8
273.18604	8.7
274.19012	0.6
275.16510	3.3
289.18185	1.0
291.19620	2.4
309.20602	3.5
317.17545	0.9
335.18597	37.6
336.19077	4.0
337.18680	4.2
338.18756	0.6
353.19653	5.3
354.20135	0.7
361.16580	1.6
379.17581	13.7
380.17825	1.1
397.18655	100.0
398.18979	12.6
405.77698	0.6
424.96701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0718
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
55.24498	0.5
56.81548	0.4
59.01368	1.6
61.34597	0.4
61.98827	1.3
65.00644	0.4
69.38967	3.9
71.01367	0.7
73.67764	0.5
85.21131	0.4
96.95982	2.3
123.00909	1.0
137.02434	0.6
145.03026	0.5
151.00429	0.9
152.01088	0.6
177.01973	1.2
189.01912	1.1
190.02713	2.0
192.00656	0.5
193.01404	3.5
201.01855	0.7
202.02690	1.6
205.01408	1.3
209.09692	0.6
214.02782	0.6
217.01274	0.6
218.02173	2.2
221.00890	5.6
224.04649	0.6
225.05585	0.5
227.03555	1.5
228.00653	1.3
229.01408	1.2
230.02179	0.9
231.02925	0.8
235.03922	1.0
238.06316	0.6
241.01402	0.9
241.05006	0.7
242.02161	2.0
243.02858	1.1
245.00853	1.4
246.01517	1.0
251.03513	0.8
253.05075	1.4
257.00830	2.1
258.01685	2.6
259.02463	1.6
263.03522	0.6
263.07227	0.6
267.02917	0.8
267.06879	0.6
269.04733	0.6
270.01639	0.8
271.02356	1.0
271.09772	0.5
273.00421	1.8
274.01181	26.5
275.01514	2.4
279.02966	2.0
280.03659	0.8
281.04578	1.5
281.08264	1.3
282.01382	0.6
282.05051	0.6
283.02454	2.0
283.09738	0.9
284.03354	2.0
286.01236	1.2
287.02008	2.2
288.02380	0.7
293.04556	0.9
294.05109	0.7
295.02533	0.5
297.03824	0.8
299.01999	3.7
299.09143	0.6
300.02621	1.9
307.02554	0.7
308.03217	1.9
309.03934	1.3
309.07700	3.6
310.08081	0.9
311.09293	0.6
312.02740	2.0
322.04846	0.6
323.05743	1.1
325.03339	2.5
326.04276	1.7
327.08789	1.1
337.07083	4.8
338.07813	1.4
340.05524	0.7
355.08200	100.0
356.08560	12.3
399.07175	14.1
399.20401	0.7
400.07629	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	399.1291
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
50.21692	0.4
50.90952	0.4
54.41520	0.4
55.01867	0.8
57.03444	0.5
58.07666	0.4
59.01380	6.6
61.98848	0.3
63.52386	0.3
67.01872	0.6
68.99817	0.5
70.43613	1.4
71.00997	0.6
71.01381	8.7
71.05009	1.3
72.99298	0.4
73.02955	2.3
73.06578	0.4
73.75633	0.3
75.00874	0.5
79.56287	0.3
81.03448	0.8
82.96810	0.4
83.01373	1.3
83.05030	1.3
85.02947	4.7
87.00839	0.4
89.02424	1.8
91.01876	0.8
93.03446	2.3
95.01362	1.9
97.36119	0.3
99.00861	0.9
101.02443	4.4
101.06084	2.0
102.84551	0.3
106.36761	0.4
107.01399	2.5
108.02190	1.1
109.02949	28.7
109.17760	0.4
110.03303	0.9
111.00887	2.1
113.02444	2.9
119.03499	0.4
123.00886	3.4
123.04499	0.5
124.01662	1.9
125.02435	1.3
135.00854	2.9
135.04472	0.5
137.02435	4.1
139.00377	0.7
152.01164	4.3
153.01929	45.6
154.02242	2.0
159.02911	0.5
161.04514	0.6
163.03932	0.5
165.02057	0.4
177.04019	0.6
193.04915	0.5
195.02927	3.4
237.03973	0.6
255.05038	2.6
297.06140	0.8
399.12903	100.0
400.13205	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	400.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.3
59.01377	16.0
61.98822	1.4
68.02516	0.7
68.79301	0.8
69.47620	0.7
70.86923	0.9
70.87249	1.4
71.01375	14.7
71.02293	0.6
72.99309	18.4
73.02943	0.9
73.79491	0.7
83.01369	1.0
85.02952	2.5
86.64265	0.7
87.00869	1.0
88.92588	0.7
89.02436	9.3
92.05065	6.4
96.96037	1.2
101.02423	4.8
113.02420	2.5
116.05052	0.9
119.03510	1.9
120.04537	3.0
125.02463	1.2
128.05064	15.5
130.06622	82.7
131.03752	5.0
131.06967	3.8
132.04584	1.3
133.06610	2.4
144.04564	2.9
146.06105	22.8
147.06444	1.1
148.04079	4.1
148.07695	3.6
158.06113	16.0
159.06371	0.9
169.01396	1.0
172.03993	3.6
174.05560	2.8
176.07152	25.4
177.07523	1.2
179.05603	1.8
220.06128	44.9
221.06473	2.1
231.02948	0.8
275.01944	1.6
300.99933	2.3
341.10760	5.0
377.53528	1.2
391.53430	1.1
400.12454	100.0
401.12851	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	401.1087
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
57.03425	1.0
58.00597	1.9
59.01098	1.6
59.01374	21.9
61.98835	1.1
69.03432	1.7
69.81688	4.4
71.01375	33.8
72.01710	1.3
72.99318	1.9
73.02939	15.8
81.03450	1.0
83.01399	1.1
85.02951	11.1
87.00871	60.3
89.02437	19.9
95.01425	1.7
96.96044	1.3
97.02943	1.8
99.00880	1.6
101.02451	11.0
109.02951	2.6
113.02444	6.0
119.03487	5.4
121.02965	1.1
123.00888	1.7
127.03980	1.5
129.01996	0.9
131.03477	4.7
143.03502	1.2
149.04576	1.4
151.00356	8.5
161.02466	2.2
161.04552	1.9
163.03879	1.4
164.04747	1.9
166.02695	22.0
176.04845	1.2
177.01917	1.4
177.59631	1.1
179.05603	7.5
179.07037	2.1
181.05074	18.8
191.03566	2.9
191.07161	1.3
194.05746	1.9
195.02951	1.7
205.04958	1.1
206.05757	1.4
209.08171	2.8
219.03035	1.5
231.03201	1.3
234.05382	1.6
237.07657	1.8
249.07668	2.6
261.07550	1.2
265.07108	2.9
295.08246	3.0
341.10858	29.2
341.14807	1.9
342.11295	1.6
357.11902	1.8
401.10858	100.0
402.11038	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
68.99799	1.9
70.58065	2.5
71.01382	8.9
72.99313	1.5
73.02932	3.5
85.02936	4.7
87.00876	46.6
89.02434	8.1
96.95998	1.4
101.02429	6.4
111.00875	2.1
113.02438	4.6
119.03508	2.9
121.02948	2.7
123.00868	3.9
123.04585	1.7
125.70198	1.3
125.85171	1.3
135.04433	1.5
137.02524	1.2
138.03197	1.4
144.80496	1.1
149.02422	4.2
151.00348	3.0
153.05580	1.7
161.02434	7.3
163.03987	16.7
164.04785	12.2
165.05568	2.8
166.02657	8.0
173.02524	1.4
175.03986	2.7
176.04773	8.0
177.01900	4.0
177.05481	2.4
178.06360	16.0
179.03487	6.5
179.05585	3.8
179.07100	26.3
180.07417	1.7
181.05099	7.1
190.02802	2.4
190.06360	1.3
191.03482	16.4
191.07100	5.6
192.04213	3.7
193.05075	8.7
193.08661	3.4
194.05832	9.0
202.06310	2.0
203.03494	6.3
204.04166	2.6
205.05013	5.7
206.05772	5.0
207.02921	2.2
207.06642	2.8
208.07394	1.8
209.08142	7.1
218.05829	3.0
219.03008	5.5
220.03780	2.3
221.04492	3.7
221.08138	6.0
221.51945	1.3
222.05173	1.6
231.02992	3.2
234.05296	3.8
235.06067	1.4
237.07651	5.0
238.04869	3.1
242.87653	1.3
247.02505	6.5
247.06056	4.3
249.07613	5.0
250.04747	1.7
251.09151	1.5
261.42297	1.3
262.04745	7.8
265.07150	53.9
266.07520	4.9
277.07169	23.9
278.07550	1.8
295.08194	61.1
296.08502	5.0
325.09174	2.4
337.09207	2.6
341.10880	15.3
355.10333	17.8
356.10565	2.8
383.09714	7.5
401.10843	100.0
402.11172	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56650	1.9
59.01376	59.4
61.98819	2.6
68.23613	2.3
69.58497	2.0
71.01377	38.3
71.34021	3.2
71.34355	2.3
72.99300	3.7
73.02930	3.1
85.02956	7.2
87.00871	15.3
88.38003	1.7
89.02438	50.9
95.01376	2.4
96.13506	1.9
101.02434	22.2
113.02444	16.9
119.03484	20.6
131.03493	2.4
134.70047	1.8
143.03459	3.5
161.04535	5.7
164.04715	3.4
179.05602	24.0
179.07098	4.9
180.07620	2.0
181.05080	2.3
191.05563	4.3
193.05058	2.2
194.05969	2.1
265.07135	11.7
325.09125	4.1
341.10825	100.0
342.11160	9.4
345.91937	2.1
401.10873	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
56.99831	0.3
57.03445	4.3
58.00593	1.6
59.01376	39.7
61.98827	1.6
67.01893	0.4
68.99807	0.5
69.03450	1.4
69.25761	3.4
71.01379	71.1
71.05023	0.8
72.01729	1.3
72.89465	0.3
72.99295	2.8
73.02943	28.3
74.03265	0.4
75.00873	1.3
77.29281	0.3
80.83985	0.3
81.03463	0.7
83.01384	13.7
83.05054	0.3
84.02180	0.5
85.02946	38.2
86.00092	0.5
86.03292	0.8
87.00873	3.1
89.02435	11.7
90.98540	0.4
93.03458	0.8
95.01392	4.9
95.05038	0.5
96.95997	1.1
97.02957	2.6
99.00876	11.9
99.04494	0.9
101.02437	61.4
102.02782	1.4
107.05042	0.8
109.02965	1.0
111.00893	1.3
113.02446	30.3
114.02749	0.4
119.03489	1.4
119.05027	0.4
120.99659	0.6
121.02892	0.6
121.06564	0.6
123.00864	0.7
123.04515	1.2
125.02456	3.2
129.01942	1.4
131.03494	24.0
132.03835	0.4
135.04529	0.5
135.47098	0.3
137.02457	1.4
139.00381	0.8
143.03497	5.1
149.02408	0.7
150.06894	0.6
151.03970	0.7
151.11255	1.5
153.01881	0.4
153.03038	0.7
159.02991	7.9
159.04308	0.3
161.04547	56.7
162.04848	2.1
163.04016	0.8
165.01868	0.4
165.05576	0.6
167.07114	0.5
177.05556	0.3
177.09166	1.0
179.00119	0.4
179.05621	1.7
179.07074	0.7
181.05055	1.4
195.04147	0.8
195.10313	1.6
205.03500	1.5
221.08205	0.4
239.09290	1.5
263.77795	0.4
269.10278	100.0
270.10611	7.1
313.07019	0.7
313.12927	0.9
341.10800	3.8
345.20081	0.3
401.14145	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	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
58.00593	1.6
59.01378	44.2
69.47845	7.3
71.01377	17.5
71.05016	4.3
72.99300	2.3
73.02940	6.8
75.00872	1.0
79.71835	1.0
83.01376	2.5
85.02937	8.9
87.00875	12.2
89.02435	15.6
93.03454	3.5
95.01379	2.0
95.05040	1.4
98.20615	2.0
99.04506	2.2
101.02436	8.7
103.03996	1.7
106.04286	1.3
109.02983	3.2
113.02425	6.5
116.05039	1.9
119.03519	4.2
120.87630	1.4
121.02880	1.1
121.06586	3.4
122.03748	4.1
123.00896	4.5
123.04513	3.5
124.01673	2.5
135.04559	2.9
135.08298	1.2
137.02426	7.5
138.05542	1.0
139.04019	4.3
146.03699	1.2
147.04543	2.8
149.06033	5.7
151.11250	6.4
153.01888	1.2
153.05547	3.9
160.04015	3.6
162.03305	1.5
164.01216	1.3
165.01936	3.4
167.07129	53.5
168.07487	3.0
176.30254	1.1
177.09178	2.8
179.10779	2.7
193.08688	3.8
195.10275	6.2
217.08807	1.3
219.10262	1.5
221.11838	1.3
235.09879	1.5
236.32277	1.1
237.11365	1.0
239.09218	5.3
262.07233	2.3
269.10577	1.1
283.08191	1.5
295.11884	1.7
313.12900	100.0
314.13214	9.1
319.19714	1.1
321.13419	3.1
322.09393	3.9
339.14478	12.4
341.10870	4.7
353.12448	4.0
357.15561	3.8
365.12381	13.0
383.13464	12.7
401.14508	81.1
402.04587	11.0
402.09460	1.6
402.14584	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	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
57.03439	3.0
58.00592	4.7
58.46024	1.6
59.01376	99.2
64.60165	1.5
65.63974	1.5
69.03458	3.5
69.42178	9.0
69.42589	3.9
71.01379	59.2
71.05022	41.1
72.05341	1.5
72.99300	5.9
73.02928	11.9
79.05548	2.2
79.95728	1.8
81.03443	2.1
83.01368	10.0
85.02940	12.9
87.00894	5.4
87.04507	2.1
89.02436	59.9
93.03455	4.4
93.07076	2.8
95.01373	4.1
95.05014	14.6
95.28590	1.7
96.96007	4.7
97.02949	3.0
97.06566	3.5
98.19841	3.7
99.00868	2.3
99.04515	25.7
100.60787	1.5
101.02444	32.8
106.04241	9.2
107.05029	2.0
109.02930	4.5
109.06602	2.2
113.02445	24.0
119.03493	21.4
119.05026	1.9
121.02949	3.8
121.03759	1.6
121.06590	39.7
121.07423	3.4
123.00878	3.3
123.04523	6.2
123.08202	1.9
125.02451	8.2
129.45483	1.7
131.70581	1.8
133.10246	3.4
135.04529	1.7
135.08171	10.0
137.02441	3.9
137.09604	1.7
138.01955	4.0
139.00410	2.0
147.04556	2.2
149.04568	1.9
149.09714	5.0
151.03992	4.1
151.11275	100.0
152.11617	5.7
153.01956	3.0
159.08090	3.1
161.04539	6.5
163.03944	2.1
163.07616	3.8
165.05560	9.1
175.11285	3.2
177.09209	33.6
178.09447	2.0
179.05583	8.7
195.10251	83.0
196.10625	4.1
203.07135	3.4
205.05084	2.2
209.11792	2.0
219.10228	13.9
221.08200	3.2
221.11743	3.2
235.08003	3.2
237.11343	4.1
239.09213	72.7
240.09595	4.6
256.07376	1.6
297.05835	1.7
304.05826	3.3
341.10886	6.0
401.12576	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21366	1.9
51.34605	1.7
55.01862	4.2
57.03442	3.3
58.00587	3.7
59.01377	100.0
59.81698	1.7
69.03445	4.3
70.49033	1.9
70.91188	3.0
70.91541	2.9
71.01379	63.6
71.05019	29.3
72.99303	3.8
73.02936	15.7
75.00871	3.1
77.06857	1.9
83.01387	6.9
83.05007	2.0
85.02947	27.3
87.00873	5.9
87.04502	2.2
89.02438	56.8
90.02841	2.0
90.98572	2.0
93.03481	4.3
93.07119	2.5
95.01388	4.7
95.05019	10.4
96.96001	3.3
99.00883	3.9
99.04512	21.8
101.02441	42.2
106.04221	4.7
109.02961	5.3
111.00858	6.3
111.23916	1.8
112.44168	2.1
113.02438	31.7
119.03477	20.4
119.04951	1.6
121.02991	2.4
121.06606	27.2
121.72660	2.1
122.03761	2.5
125.02431	2.0
131.03462	3.0
133.10298	2.1
135.08151	7.1
137.02431	6.3
137.03387	1.9
138.06935	2.1
139.00360	6.6
143.03484	6.0
149.04588	2.2
149.09644	3.3
151.07695	3.4
151.11275	73.1
152.11606	3.7
153.01901	2.2
159.03026	2.4
159.08049	2.5
161.04553	16.8
163.07690	2.7
165.05557	7.8
165.09174	2.0
167.07056	3.2
175.11279	3.3
177.09213	29.7
179.05583	7.8
187.07623	3.9
195.10254	58.8
196.10544	4.3
203.10794	8.9
219.10274	9.6
221.11818	6.6
233.68631	2.1
235.08197	2.4
237.11298	4.4
239.09239	40.4
240.09535	4.1
242.57538	2.0
269.10309	15.8
269.32071	1.8
270.10748	2.3
289.07172	3.0
295.74573	2.0
313.12863	5.5
341.10889	4.0
361.58868	2.0
369.28580	1.9
400.94150	2.0
401.14722	29.9
402.04309	4.0
402.08658	6.0
402.13745	2.2
419.83032	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	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
57.03439	5.0
58.00586	3.8
59.01378	92.4
60.01715	1.6
69.03452	2.7
71.01382	100.0
71.05013	3.8
71.60233	2.7
72.99309	4.4
73.02943	14.4
81.03454	1.7
83.01389	8.1
85.02948	28.2
87.00861	6.9
87.04508	8.5
89.02444	63.7
93.03436	1.4
95.01391	9.5
95.05038	3.1
96.95988	5.0
97.02943	2.8
99.00887	7.2
99.04517	2.6
101.02439	47.6
109.02953	5.0
111.00910	1.7
113.02448	37.2
117.05585	2.2
119.03500	22.2
120.99634	1.7
121.06605	4.8
122.03722	1.5
123.00879	2.3
123.04529	3.9
124.16165	1.2
125.02441	3.5
125.05968	1.9
129.01906	1.9
131.03471	2.3
135.08144	2.0
137.02452	7.7
137.06090	2.9
138.06876	9.9
142.06642	1.9
143.03491	5.8
147.04482	1.4
149.02275	1.5
149.04440	2.1
151.03992	2.2
151.07637	7.5
151.11272	8.5
153.01920	1.9
153.09233	14.9
159.03032	6.5
161.04552	49.6
162.04924	1.7
164.01149	1.8
165.01898	4.6
165.05531	1.6
165.09218	16.5
166.09526	1.6
177.09198	2.6
179.05611	12.9
179.10744	12.4
187.07617	1.9
188.08408	8.9
195.10258	6.2
202.09990	16.7
203.10782	97.0
203.12811	10.7
204.11093	6.2
217.08737	1.6
220.10999	3.5
221.11806	45.4
222.12161	2.4
234.78578	1.5
235.09758	1.5
239.09264	9.8
239.12956	1.7
245.11705	3.0
293.13864	2.0
303.04898	1.6
341.10898	9.2
366.11517	1.4
371.29211	1.5
383.17212	11.3
401.12973	14.7
401.18372	2.0
402.13333	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	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14940	0.2
55.01858	0.5
57.03444	0.6
58.00587	1.1
59.01377	13.5
69.03452	1.9
70.87912	0.4
71.00998	0.3
71.01379	4.8
72.99293	0.8
73.02944	6.5
75.00864	0.5
75.84261	0.2
81.03431	0.2
81.49014	0.2
83.01382	0.7
83.91248	0.2
85.02946	5.8
86.00086	0.4
87.00867	3.0
87.04507	0.3
89.02439	2.0
93.03421	0.3
96.96016	0.5
97.02970	0.4
99.00876	0.2
99.04510	0.3
101.02423	2.8
103.04004	0.6
108.02158	0.3
109.02937	0.8
113.02429	0.5
117.06783	0.2
119.03468	0.5
121.02946	2.1
122.03710	1.6
123.04519	0.6
125.02421	0.3
126.03253	0.2
131.79048	0.2
135.04517	5.1
137.02434	0.5
137.06213	0.2
143.03473	0.2
147.04703	0.2
148.05278	1.1
149.06071	1.7
151.04018	0.5
151.11183	0.3
153.01855	0.2
161.04549	0.7
163.03842	0.2
164.04764	0.6
165.05537	0.3
166.06337	19.3
167.07118	6.2
168.07457	0.4
179.05550	0.4
179.07120	0.7
179.10724	0.3
181.08688	26.0
182.08965	1.5
195.06609	2.3
210.26372	0.2
211.07899	0.2
217.59540	0.2
221.11758	0.5
239.09285	0.5
249.09718	0.2
251.09242	0.3
312.12134	4.3
313.12726	0.3
327.14447	100.0
328.14807	8.9
341.10910	0.6
401.12689	1.3
401.18076	3.3
402.13260	0.3
402.18082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
58.00574	1.2
59.01377	43.5
61.98831	0.8
69.62447	3.9
71.01380	24.3
71.05021	1.7
72.01706	0.8
72.99306	1.7
73.02935	1.3
77.25997	0.5
82.84062	0.5
83.01379	1.8
85.02955	5.8
87.00868	1.7
89.02438	27.8
90.02780	1.1
95.01369	1.6
96.95998	2.3
98.20635	0.8
99.04492	0.8
100.04879	0.7
101.02440	16.2
106.75658	0.6
113.02441	12.5
116.05063	18.7
117.05423	1.2
119.03502	9.9
119.22958	0.6
121.06577	0.7
122.06864	0.8
123.04494	0.7
125.02438	1.0
128.04990	0.6
131.03474	1.1
137.02478	1.5
141.11430	0.6
143.03525	1.3
149.04604	0.7
151.11279	1.2
152.11650	1.2
160.04031	33.9
161.04433	4.2
165.01932	1.0
178.09462	0.7
179.05592	2.1
190.13644	0.6
195.10205	1.0
196.10565	2.0
202.05084	18.2
203.05391	0.7
232.06091	3.1
239.09297	1.1
240.09624	2.1
241.10904	0.8
241.14348	0.8
259.01254	2.7
262.07178	18.9
263.07513	1.3
322.09283	38.4
323.09668	3.0
395.33334	0.7
402.04953	100.0
403.05319	9.4
403.14767	0.9
403.19672	2.7
409.36411	0.7
414.25296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83859	0.3
57.90346	0.2
59.01397	0.4
73.33028	0.3
79.95730	6.9
80.96536	0.4
93.70357	0.2
96.96050	0.5
98.20742	0.5
110.87351	0.3
116.05109	0.3
121.02952	3.5
122.03282	1.6
128.05070	0.6
130.06586	0.4
142.06613	100.0
143.06956	5.5
158.06105	4.6
186.05557	0.8
204.06635	0.6
222.02277	54.4
223.02574	2.9
238.01775	5.7
239.46121	0.2
266.01270	3.7
267.01547	0.5
272.20053	0.3
314.07602	1.2
358.06314	0.5
402.06186	9.4
402.44217	0.3
403.06601	0.9
419.98483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.8
61.98827	100.0
64.71232	2.8
69.86353	10.4
74.60191	2.4
75.82093	3.0
83.53849	2.2
90.80160	2.3
94.00166	2.2
100.92628	2.4
105.63144	2.4
140.64880	2.5
147.73476	2.8
163.11264	4.3
192.61839	2.6
222.24269	2.7
339.23178	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	403.1033
Annotation	Apuleirin
Peak:m/z	Relative Intensity
54.77085	0.4
57.03430	1.0
59.01384	3.3
61.98827	6.1
69.03453	1.3
71.01363	0.9
73.02929	1.9
83.01400	2.6
93.03442	0.8
95.05003	0.7
96.95995	1.7
101.02441	0.8
109.02971	2.4
115.03987	2.4
119.04984	0.5
121.02927	1.0
122.03724	0.6
123.04519	0.6
125.02445	7.5
133.02953	0.7
137.02441	17.8
137.03499	1.0
145.02930	0.7
146.03679	1.2
147.04524	1.0
149.02452	0.6
149.06058	0.6
150.03244	2.6
151.03944	0.9
155.04903	0.7
158.06087	0.8
159.04501	1.2
161.02406	1.7
161.06035	0.8
164.01114	1.4
165.01936	7.0
167.03433	1.3
173.06078	1.1
174.03200	1.6
175.03972	3.3
175.07573	2.7
176.01097	1.4
177.01939	3.8
179.03476	2.0
179.07118	0.8
183.04536	0.9
187.04019	1.2
187.07660	1.2
188.04736	0.7
189.01933	4.9
189.09225	0.7
190.02612	1.8
191.03374	0.8
200.04771	1.7
201.05466	1.3
201.09221	0.9
202.02658	1.5
203.03490	9.6
203.07147	2.6
204.04256	7.1
205.01389	1.4
205.08633	0.7
211.03915	1.6
212.04747	0.9
213.05684	0.9
214.02756	0.9
215.03487	1.2
215.06987	0.7
216.04317	0.7
217.01367	0.8
217.04959	0.6
218.02148	0.7
219.06482	1.4
224.04555	0.6
225.05533	2.1
227.03493	7.3
227.07121	0.6
227.10768	0.6
228.04172	2.3
229.01373	0.8
229.04965	3.6
229.08665	1.8
230.05629	0.5
239.07170	0.7
240.04207	0.6
241.05019	2.7
241.08549	0.7
242.02155	0.9
242.05826	1.6
243.02943	0.6
243.06592	1.4
247.06158	2.9
247.09743	2.6
253.05197	0.6
253.08759	1.0
254.05788	0.9
255.02838	2.7
255.06686	1.2
255.10184	0.9
256.03641	1.9
256.07004	0.7
257.04489	1.8
257.08047	1.5
261.00214	0.7
262.04858	1.5
265.05029	0.9
265.10760	1.0
269.04550	1.7
269.07755	0.6
270.05231	2.1
271.06046	2.4
271.09729	3.3
275.05603	0.8
280.03815	1.2
281.08292	2.4
283.06107	1.2
283.09662	1.7
285.03940	2.6
285.07547	1.4
287.05582	8.9
288.06305	2.0
289.06995	0.6
297.07620	1.3
298.04587	0.6
299.05768	0.8
299.09198	14.1
299.12585	1.2
300.09558	1.8
301.07330	1.0
309.07706	1.5
323.12808	1.5
325.07181	1.2
327.08722	23.8
328.09103	1.8
331.08389	0.7
331.11758	3.7
341.13785	0.6
343.08081	5.7
343.21359	0.9
357.09744	1.1
359.11343	2.7
367.11761	4.3
371.07779	5.4
375.10748	6.3
385.12939	4.6
386.13135	0.8
403.10248	100.0
403.22989	3.7
404.10535	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	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95720	0.3
55.01871	0.6
57.03444	0.5
59.01379	6.5
61.98828	1.6
67.01880	0.8
68.74468	0.3
68.99825	0.4
69.03467	0.4
69.42486	2.3
71.01381	7.1
72.99296	0.6
73.02946	2.1
78.95900	0.5
79.01879	1.0
83.01378	1.7
85.02953	3.5
87.00867	0.9
89.02431	2.6
95.01379	2.4
95.77683	0.3
96.22816	0.3
96.96007	1.1
97.02946	0.8
99.00857	0.6
101.02445	5.2
107.01388	3.7
109.02962	0.6
110.00127	0.3
111.00871	3.0
113.02452	2.6
114.85041	0.3
119.03469	0.8
122.65184	0.3
123.00882	13.9
124.01766	1.6
125.02441	15.6
126.02798	0.3
127.00350	0.7
136.98820	2.2
137.02454	0.4
139.00346	5.7
140.01170	3.9
141.01979	2.0
150.06834	0.7
151.00359	12.4
152.00688	0.6
153.01917	1.0
154.99855	0.4
161.04518	0.7
162.06856	0.6
163.04007	0.4
163.07605	0.6
168.00648	3.2
169.01421	20.8
170.01793	0.8
179.05522	0.4
180.07936	1.8
181.05077	0.5
181.08717	3.3
186.76100	0.3
192.54578	0.3
211.02443	1.1
223.02441	0.5
223.09778	0.3
253.03470	0.4
271.04611	0.9
313.05591	1.8
315.39130	0.3
329.12106	0.4
343.13947	0.5
403.12405	100.0
404.07718	0.6
404.12769	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	403.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.46408	0.3
57.03433	0.5
58.02949	0.7
59.01102	0.5
59.01379	8.5
61.98809	0.9
65.00333	0.3
67.01884	0.7
68.58845	0.3
68.99775	0.4
69.03475	0.3
69.96674	1.3
71.01377	6.9
72.99284	0.7
73.02941	2.6
74.02464	1.9
79.01884	1.3
82.02975	0.4
83.01404	1.7
85.02953	3.7
86.02467	0.7
87.00870	1.0
87.04501	1.0
87.05647	0.5
89.02453	2.5
95.01392	2.1
97.02935	1.1
99.00861	0.8
99.05638	1.6
101.02444	5.4
102.05591	0.3
103.75718	0.3
107.01395	3.0
109.02936	0.3
111.00862	2.0
112.04012	0.3
113.02449	3.5
117.97282	0.6
119.03479	1.1
123.00883	14.7
124.01701	1.5
125.02444	14.7
126.02803	0.5
127.00356	0.9
127.05158	0.3
128.03548	5.1
129.86755	0.3
136.98795	1.4
138.06848	0.5
139.00371	5.5
139.03963	0.3
140.01170	3.1
141.01926	1.7
141.06721	0.4
141.11414	0.3
143.03537	0.5
143.04605	6.4
145.06207	0.4
151.00368	13.0
151.03951	0.4
152.00772	0.3
153.01939	0.5
153.06699	0.5
153.09181	0.9
160.00685	1.9
161.04570	0.9
163.03960	0.4
167.03452	0.6
167.04660	0.5
168.00630	3.4
169.01410	21.6
170.01736	1.2
177.03351	0.6
179.04637	1.1
181.05023	0.4
185.05656	0.4
210.08832	0.9
211.02556	0.7
241.14447	0.6
254.07765	2.0
271.04605	0.7
272.08856	2.9
288.06659	1.3
306.07660	9.7
313.05685	1.6
402.29993	0.3
403.12424	100.0
404.12772	9.0
404.18399	0.6
404.20322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
59.01376	58.9
61.98827	16.0
65.22682	1.4
71.01373	10.9
71.29941	2.8
72.99282	1.8
73.02953	1.4
83.01382	2.3
85.02925	2.4
86.01260	1.2
87.00880	1.9
87.68495	1.2
89.02454	7.0
92.15933	1.5
93.03435	2.8
95.01373	4.4
96.96013	7.3
101.02416	4.9
105.01910	2.2
108.02144	6.6
109.02969	2.2
111.00857	3.7
113.02448	3.6
119.03465	3.6
121.02946	3.4
123.00877	100.0
123.04509	3.8
124.01694	24.0
125.02463	6.1
137.02457	11.4
138.03221	58.2
139.00331	3.3
139.04005	75.3
140.04332	3.2
144.40256	1.4
149.02435	2.7
151.03934	1.7
152.01109	9.4
153.01854	1.7
155.20866	1.3
161.04433	1.6
167.03497	16.7
169.01379	4.3
169.04935	1.6
171.09161	1.5
179.03354	2.0
181.04999	5.6
193.01437	2.8
193.04973	2.0
203.05615	3.7
208.03740	6.2
223.06107	16.7
241.07126	2.4
254.93430	1.3
271.04590	2.0
283.08179	3.0
292.73221	1.2
343.10355	18.9
344.10400	1.7
383.94934	1.8
403.12509	30.8
404.12680	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	403.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03425	2.9
55.01852	3.5
58.00560	3.1
59.01379	73.9
61.98828	82.2
71.01385	50.2
71.58497	3.8
72.87303	2.7
72.99288	6.8
73.02917	11.3
74.99065	3.8
75.00836	3.4
78.95874	8.5
83.01384	6.1
85.02935	16.3
87.00848	4.4
89.02440	50.5
93.03449	6.0
95.01369	6.7
96.96010	45.3
101.02438	33.9
107.01335	3.0
108.02107	4.5
109.02245	2.8
109.02940	54.3
109.06487	3.1
111.00796	3.7
111.02781	2.6
113.02454	20.2
115.90117	2.5
119.03496	16.3
120.99594	3.7
121.02895	3.2
121.93042	3.3
123.00880	19.3
123.04448	3.0
124.01591	5.4
125.02451	28.1
134.04591	3.0
136.98962	4.9
137.02464	20.4
139.00288	11.8
140.01044	3.3
149.05949	3.9
149.09657	4.7
151.00363	13.8
153.01860	9.5
159.02991	5.0
159.84070	2.7
161.02403	5.5
161.04427	12.8
161.09654	2.8
168.00648	4.8
169.01404	24.6
179.03363	5.3
179.05498	3.5
179.07034	2.6
179.10660	6.4
180.07884	3.4
180.97595	2.6
181.08571	5.6
223.05972	3.4
241.10619	6.2
274.12729	2.7
318.67926	2.6
343.13681	4.2
373.18713	19.6
379.89987	2.9
385.07175	3.3
403.04245	5.4
403.12131	100.0
403.15997	12.6
404.12540	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
57.03435	4.0
58.00584	2.8
59.01377	100.0
60.01720	1.6
61.01845	1.1
61.98829	13.7
67.01862	1.5
69.33441	7.9
69.33864	2.9
69.86852	1.1
71.01377	70.2
72.99305	5.0
73.02944	12.2
73.63676	1.2
75.00882	1.7
78.95907	1.2
83.01402	7.2
84.13484	1.1
84.14015	1.2
85.02940	23.6
87.00899	6.2
89.02440	63.7
90.02748	1.6
91.21514	1.1
92.99677	1.0
94.74818	1.1
95.01375	6.1
96.96007	5.3
97.02934	1.8
98.19930	2.5
99.00861	2.9
99.05658	1.5
101.02435	44.5
102.64487	1.1
105.06145	1.1
107.01380	2.2
107.05035	2.8
109.02949	12.8
111.00842	2.4
113.02440	31.6
119.03493	23.9
119.04830	1.4
123.00872	11.4
125.02431	14.2
128.03542	2.9
131.03494	3.2
135.04472	1.3
139.00349	4.6
140.01158	2.5
141.01895	2.1
143.03485	5.9
143.04622	5.0
145.06563	4.5
147.60773	1.1
149.04559	2.4
151.00339	12.7
152.03635	1.2
152.08395	3.6
153.01936	3.9
153.09164	2.2
155.10777	3.8
159.03006	3.0
160.00682	1.7
161.04507	15.0
163.07600	3.9
166.06357	2.6
168.00627	3.6
169.01404	16.3
179.05618	10.0
180.07903	2.8
181.08710	22.8
205.12354	4.1
223.09798	2.4
223.13335	7.4
241.14485	11.8
247.08165	4.5
254.07793	1.4
271.04568	2.0
272.08871	2.1
293.08780	1.1
306.07639	5.3
343.13980	30.5
344.14310	2.4
373.18665	2.1
385.18542	2.8
403.12372	84.9
403.19662	56.3
404.12643	9.0
404.20352	7.1
406.66754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Ascleposide A
Peak:m/z	Relative Intensity
51.58465	1.0
53.13227	1.0
55.01867	2.8
57.03435	3.9
58.00582	3.8
58.68866	1.0
59.01377	100.0
60.01689	1.3
61.98822	6.8
69.68632	6.3
71.01377	75.9
72.01678	1.1
72.99303	5.3
73.02941	9.0
74.02460	2.2
77.33549	1.1
78.95916	2.0
83.01389	6.2
85.02945	22.1
87.00874	4.7
89.02438	84.1
95.01382	5.7
96.95997	2.5
98.19853	1.4
99.00858	4.3
99.05649	2.1
101.02438	48.4
102.02771	1.5
104.15032	0.9
107.01370	1.3
109.02942	16.2
111.00843	2.0
113.02442	31.3
119.03493	40.2
123.00871	6.1
125.02439	10.0
128.03522	4.8
131.03465	3.9
139.00362	3.5
141.01889	1.4
143.03458	5.5
143.04611	6.9
145.06468	1.5
149.04483	4.0
149.09767	1.3
151.00290	5.8
152.08434	3.6
153.01958	1.9
153.09241	2.0
155.10770	4.1
159.02914	1.7
160.00690	3.0
161.02380	1.2
161.04552	13.4
163.07596	2.3
168.00636	1.6
168.07837	1.2
169.01396	7.4
175.03975	1.1
179.05661	16.1
179.10774	1.7
181.08607	1.4
184.90181	0.9
187.11308	2.1
203.10789	1.3
205.12340	9.9
210.08823	1.3
223.13394	9.7
226.12038	1.3
241.06999	1.3
241.14433	11.3
247.08197	4.1
254.07803	2.2
268.71439	1.2
272.08777	3.9
288.06464	1.6
306.07578	13.2
373.18576	2.9
385.18741	8.2
389.71271	1.1
403.12369	45.2
403.19644	57.2
404.12592	4.7
404.19864	6.6
425.85553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63857	0.3
59.01368	1.1
60.55322	0.3
61.98828	100.0
70.49003	1.0
71.01377	0.9
73.23140	0.3
87.00893	0.4
89.02444	0.7
96.95990	0.7
101.02457	0.5
111.22240	0.3
119.03509	0.5
119.04996	2.0
163.03928	1.4
177.01958	1.2
192.04251	0.7
195.06607	0.6
207.06677	0.4
241.00249	0.9
387.87097	0.3
405.08905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45233	0.2
50.58958	0.2
55.07648	0.2
61.98826	100.0
69.43899	0.9
69.44330	1.1
71.60196	0.3
73.29539	0.3
115.80296	0.2
137.88861	0.3
191.05641	0.5
330.52237	0.3
381.57526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03436	3.9
58.00591	1.1
58.02967	9.9
59.01377	42.5
60.01704	1.0
61.69926	1.0
61.98825	13.5
66.03470	1.1
69.24158	6.5
69.24582	3.3
70.02944	1.2
71.01381	27.9
72.00918	1.8
72.01721	1.9
72.99301	2.1
73.02944	4.0
74.02468	19.6
81.04555	1.2
82.02981	2.3
83.01360	2.3
84.04539	1.0
85.02942	7.6
86.02466	6.9
86.99108	1.9
87.00874	3.2
87.04525	1.7
87.05627	4.9
89.02443	23.8
89.02999	1.1
90.00199	2.4
90.02773	1.0
95.01394	2.3
95.02464	1.1
96.96009	1.0
97.04059	2.2
99.00877	1.5
99.05631	19.0
101.02448	17.0
101.07167	2.4
102.02827	1.4
102.05592	1.7
109.04045	2.3
109.07767	1.5
111.05621	1.5
112.04060	1.9
113.02444	10.1
113.03566	1.3
119.03512	11.1
123.05668	2.3
125.03564	1.9
125.06046	1.1
126.14118	0.9
127.05142	3.6
128.03537	49.6
131.03444	1.2
131.04640	1.4
135.05624	4.1
141.06691	4.3
143.03575	2.7
143.04608	65.9
144.04999	1.2
145.06148	2.8
146.04604	4.7
149.04570	1.0
153.06709	3.8
153.09166	3.7
154.09489	2.1
155.01682	1.4
159.06619	1.3
160.00729	17.0
161.04555	9.5
162.04906	1.6
166.09830	2.7
167.04572	5.6
167.08241	1.7
167.10764	1.3
171.03993	1.3
177.03387	6.6
179.04471	9.3
179.05969	1.6
179.54890	0.9
181.06139	1.2
185.05678	1.5
197.05753	2.0
206.08255	2.0
210.08838	11.6
228.10045	1.5
241.14366	1.3
242.07927	2.1
242.14743	2.2
243.15968	3.0
248.82088	1.0
249.09814	2.4
250.10083	2.2
254.07793	20.2
272.08887	33.4
273.09216	2.4
273.24820	0.9
288.06549	10.2
306.07626	100.0
307.07870	7.3
330.49402	0.9
387.28070	0.9
403.19412	1.3
404.13202	2.9
404.20023	19.5
405.21234	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	405.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01379	6.1
61.98829	1.4
69.58767	0.8
69.59171	1.5
71.01385	2.7
73.02959	0.6
78.48380	0.3
79.95718	3.0
80.96527	1.4
83.01405	0.5
85.02952	1.3
87.00873	1.2
89.02446	1.5
93.03471	0.9
96.96007	22.4
101.02440	3.2
113.02426	1.6
119.05021	100.0
120.05350	4.1
125.02430	0.3
138.97052	1.7
139.11232	0.3
143.03561	0.5
150.97060	0.7
156.01184	0.3
161.04512	1.8
163.03998	58.8
164.04323	2.7
165.09166	1.3
166.96553	1.1
176.75069	0.3
180.98074	0.4
183.10240	6.5
190.34984	0.3
222.99310	0.4
223.42934	0.3
241.00214	57.1
242.00522	2.4
243.16118	0.3
251.96603	0.3
334.92160	0.4
405.04837	11.0
405.13150	1.1
405.21683	0.8
406.05273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.42581	0.6
58.00594	0.7
58.02977	0.8
59.01378	100.0
60.01709	1.0
61.98818	1.2
69.49476	4.3
70.27142	0.5
71.01380	13.4
73.02951	2.4
74.02472	1.4
83.01373	1.2
85.02937	5.5
87.00883	0.9
89.02438	8.5
94.52316	0.5
94.73473	0.6
95.01397	0.8
96.68163	0.5
96.95990	2.9
98.70145	0.5
99.00873	0.8
99.05659	1.4
101.02439	8.6
102.98592	0.7
109.03001	0.6
110.00082	0.6
113.02441	6.6
119.03491	3.8
120.99731	0.5
125.02519	0.6
128.03523	3.7
128.14252	0.5
129.03934	0.8
131.03494	0.5
131.32434	0.5
137.99638	0.7
143.03578	1.4
143.04643	4.4
144.05017	1.0
153.01936	18.7
153.03131	1.1
155.07182	0.5
159.03001	1.4
160.00705	0.9
161.04555	11.9
161.05875	0.9
163.04073	0.5
168.04259	19.9
169.04660	1.2
170.85654	0.6
179.05696	1.7
183.06604	22.0
184.06972	0.8
210.08841	0.9
211.09457	0.7
217.72893	0.6
241.12094	0.6
254.07950	0.6
255.08130	0.7
272.09070	1.5
273.09216	1.7
306.07773	2.3
307.07962	4.5
308.07336	1.2
345.12207	1.0
387.19952	0.7
405.13168	1.8
405.21527	2.8
406.16956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69223	0.4
58.00588	1.9
59.01376	3.6
61.98827	3.6
63.99212	0.4
66.84737	0.4
67.01891	0.4
68.92117	0.4
71.01382	5.1
71.14052	0.6
71.14381	0.7
72.99301	0.5
73.02930	1.5
75.00867	0.7
76.32175	0.4
81.65992	0.4
83.01397	0.9
85.02943	2.5
87.00869	5.6
88.98812	1.0
89.02420	1.8
89.10075	0.4
95.01380	0.8
96.96007	3.3
99.00861	0.8
101.02438	3.8
105.55203	0.4
111.00865	0.8
113.02446	3.0
114.05595	1.5
115.16964	0.4
119.05019	11.2
121.02914	0.5
123.00890	1.5
125.02415	1.2
129.01852	0.8
136.01625	2.2
137.02454	1.6
139.00333	0.4
144.74757	0.4
149.02429	2.4
150.03091	0.7
151.00334	1.2
151.04016	2.7
152.04762	0.9
157.69252	0.4
159.02994	0.6
161.04535	3.4
163.03996	7.2
164.01146	4.3
165.01913	26.8
165.05576	1.6
166.02281	1.6
169.01428	1.3
177.01903	12.2
178.02618	0.8
179.03484	52.0
180.04263	31.7
181.04587	1.0
192.04265	4.7
193.05045	1.3
194.03967	0.5
194.05811	21.1
195.06607	100.0
196.06956	5.5
207.06656	1.4
210.05327	2.3
225.07664	21.7
226.08040	1.4
237.07652	0.6
241.00215	6.9
249.06148	1.7
300.99979	0.5
357.11911	8.4
358.12225	0.8
405.05075	1.2
405.10126	7.5
406.14041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.42581	0.6
58.00594	0.7
58.02977	0.8
59.01378	100.0
60.01709	1.0
61.98818	1.2
69.49476	4.3
70.27142	0.5
71.01380	13.4
73.02951	2.4
74.02472	1.4
83.01373	1.2
85.02937	5.5
87.00883	0.9
89.02438	8.5
94.52316	0.5
94.73473	0.6
95.01397	0.8
96.68163	0.5
96.95990	2.9
98.70145	0.5
99.00873	0.8
99.05659	1.4
101.02439	8.6
102.98592	0.7
109.03001	0.6
110.00082	0.6
113.02441	6.6
119.03491	3.8
120.99731	0.5
125.02519	0.6
128.03523	3.7
128.14252	0.5
129.03934	0.8
131.03494	0.5
131.32434	0.5
137.99638	0.7
143.03578	1.4
143.04643	4.4
144.05017	1.0
153.01936	18.7
153.03131	1.1
155.07182	0.5
159.03001	1.4
160.00705	0.9
161.04555	11.9
161.05875	0.9
163.04073	0.5
168.04259	19.9
169.04660	1.2
170.85654	0.6
179.05696	1.7
183.06604	22.0
184.06972	0.8
210.08841	0.9
211.09457	0.7
217.72893	0.6
241.12094	0.6
254.07950	0.6
255.08130	0.7
272.09070	1.5
273.09216	1.7
306.07773	2.3
307.07962	4.5
308.07336	1.2
345.12207	1.0
387.19952	0.7
405.13168	1.8
405.21527	2.8
406.16956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.00579	1.4
59.01375	5.8
61.98826	23.3
70.12252	1.3
70.12666	0.9
71.01382	7.2
72.99287	1.0
73.02934	1.2
74.99084	1.0
79.95718	0.8
80.96501	1.4
85.02953	2.4
87.00872	4.9
89.02444	4.2
91.21564	0.6
95.01376	1.1
96.96004	9.9
99.00874	0.8
100.44693	0.5
101.02435	4.1
103.85596	0.7
103.92055	0.5
111.00871	0.7
113.02431	3.2
119.03504	1.9
119.05019	34.5
120.05340	1.1
123.00845	0.9
123.04527	0.6
129.01938	0.6
136.01665	1.5
137.02414	1.7
138.03210	0.6
149.02448	1.9
151.04005	1.8
153.05556	0.6
161.02376	0.5
161.04541	2.9
163.03996	22.6
164.01152	4.2
164.04282	0.9
165.01906	29.8
166.02283	1.2
169.01439	0.7
171.94769	0.5
177.01912	9.9
178.02336	0.7
179.03482	49.2
180.04257	31.5
181.04596	2.0
185.05653	0.5
188.27013	0.5
191.03445	0.6
192.04256	4.2
193.04848	1.7
194.05820	17.1
195.02901	2.0
195.06601	100.0
196.06958	5.2
207.06531	1.0
207.69223	0.6
210.05304	2.2
225.07657	15.4
226.07999	0.7
241.00208	18.3
249.05994	0.7
300.99850	1.5
345.10727	0.9
357.11890	9.9
358.12192	0.6
388.07443	0.5
405.04919	3.8
405.09933	1.3
406.13397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00909	0.4
55.70766	0.5
69.85873	1.4
69.86268	0.8
72.38346	0.4
72.55028	0.5
73.42544	0.6
79.84476	0.6
85.23948	0.5
89.06606	0.5
97.64886	0.5
98.16674	0.5
98.20045	0.9
132.02145	1.1
134.91226	0.5
156.02153	2.2
160.01625	1.7
172.01588	1.0
173.79143	0.5
184.01604	4.4
200.01138	4.8
212.01152	4.1
216.00548	0.8
226.57285	0.6
228.00583	4.0
240.00620	14.1
241.00780	0.6
254.99402	1.4
256.00092	3.3
282.98804	1.4
283.99570	9.4
311.99091	100.0
312.99442	7.0
327.01428	87.6
328.01788	7.8
361.75601	0.5
406.11130	0.6
406.97083	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	406.971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19836	0.5
58.43886	0.5
69.91924	2.3
94.18004	0.4
98.20557	0.6
100.50861	0.5
102.31535	0.5
104.11924	0.5
124.17122	0.5
131.01109	0.5
132.02171	0.7
133.72858	0.4
144.02223	0.5
156.02147	2.3
160.01624	1.0
163.00285	0.5
172.01668	0.7
176.01108	0.5
181.02855	0.5
184.01645	2.1
188.01033	0.5
200.01158	2.2
212.01109	2.2
228.00613	2.1
240.00653	8.2
241.00856	0.8
254.99318	0.8
256.00162	2.0
282.98779	0.9
283.99579	5.5
311.99091	79.1
312.99426	9.3
327.01425	100.0
328.01782	10.1
406.97192	7.5
407.97623	0.8
413.41702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80082	1.1
59.01373	9.5
61.98809	1.8
65.99837	2.2
69.36314	9.9
71.01366	2.0
82.02982	9.1
83.01378	1.8
85.02930	1.5
89.02438	2.1
96.96011	1.8
101.02409	2.3
109.02937	5.4
113.06054	6.8
119.77457	1.2
125.02394	1.3
131.03529	1.3
136.04005	1.3
146.06200	1.4
153.01968	4.6
160.07652	3.0
162.04335	1.5
164.03558	4.9
183.09576	1.4
187.05104	1.5
188.07124	3.8
189.03029	2.2
190.01389	1.7
191.04657	1.8
199.05281	1.3
200.07156	1.5
202.08759	3.7
204.05316	1.7
214.04988	2.0
215.04463	2.9
215.08134	1.5
216.05289	4.0
216.06885	3.2
216.10242	3.0
217.02620	6.1
217.06119	10.0
218.06792	2.7
227.08284	1.8
228.06754	3.2
229.06038	9.7
230.03360	3.0
230.06812	4.0
231.07704	14.9
232.08426	6.5
241.06152	3.7
242.03302	3.0
243.04060	19.7
243.07767	3.5
244.04839	15.9
244.07120	1.8
244.07631	1.5
244.09775	15.5
245.09227	7.1
248.09248	2.5
249.05217	2.4
256.04861	7.1
257.05661	18.1
257.08456	1.7
257.09320	1.3
258.06274	6.3
259.07211	47.7
259.10803	7.4
260.07254	2.2
269.09354	4.0
271.07202	25.2
272.07654	4.5
275.06989	1.3
285.08813	5.2
287.10345	75.6
288.08667	6.1
288.10999	4.5
291.09799	13.2
298.05905	1.8
303.09827	1.7
313.08267	100.0
314.08536	8.8
317.07651	1.4
331.09317	61.0
332.09424	3.6
335.08707	2.9
345.10858	8.1
357.07288	3.4
363.12079	1.6
375.08328	24.4
376.08597	2.4
381.93411	1.7
389.09906	7.2
407.10855	81.3
408.11252	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	407.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.3
59.01387	9.6
65.99848	1.9
71.01368	3.6
71.04510	2.6
73.02954	2.1
82.02990	12.5
83.01389	1.6
85.02949	2.0
86.66322	1.1
89.02460	2.6
92.88470	1.3
96.95984	1.5
101.02460	3.5
109.02961	4.9
113.02437	1.6
118.09433	1.3
120.99521	1.4
125.02441	6.3
136.04037	1.8
149.02452	1.4
153.01941	5.6
160.07695	2.6
162.04356	2.8
162.05571	1.6
164.03539	6.4
164.37157	1.3
174.05649	1.5
178.06775	1.3
179.03476	2.5
182.35101	1.4
186.05510	2.3
188.07205	2.5
189.06761	1.8
190.01422	1.2
191.04660	1.8
194.04608	1.7
201.03072	1.3
202.08760	3.8
206.46732	1.4
215.08058	1.7
216.05403	5.5
216.10181	1.4
217.02510	7.2
217.06157	8.1
218.06911	2.2
227.12856	2.4
228.06732	3.2
229.05951	7.6
230.03319	3.3
230.06912	4.3
231.07774	14.1
232.08562	3.5
241.06108	3.8
242.03458	3.3
243.04071	17.8
243.07751	4.7
244.04831	16.5
244.09842	11.0
245.09367	6.9
245.17560	2.2
248.09283	3.0
249.66084	1.3
254.06775	1.6
255.03481	1.4
256.04886	6.9
257.05649	18.4
257.08447	2.0
258.06339	7.6
259.07239	44.8
259.10843	7.8
260.07407	3.4
269.09344	3.1
271.07193	23.6
272.07861	2.9
276.12323	2.1
285.08871	3.6
287.10355	70.5
288.08478	4.6
288.10947	4.8
291.09891	11.8
297.05484	1.5
303.09869	1.7
313.08289	100.0
314.08575	7.5
317.07947	2.2
319.12994	1.9
324.69266	1.4
331.09344	55.9
332.09766	4.3
335.08975	3.1
345.10944	9.1
357.07144	2.7
375.08347	22.2
376.08627	2.3
389.09924	4.8
407.10910	78.9
407.19366	3.4
408.11063	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	408.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02870	0.3
71.60184	0.6
86.17926	0.3
89.27679	0.4
113.72089	0.4
163.16559	0.3
202.02878	0.5
212.01053	0.6
212.23665	0.4
229.01201	0.4
240.00641	0.7
258.01584	1.5
270.98804	12.7
271.99240	0.8
283.99557	2.4
285.00415	7.2
286.01190	4.1
297.00156	0.4
298.98291	26.5
299.98749	2.0
311.99112	3.9
312.99857	16.3
314.00641	31.8
315.01013	2.3
327.01422	5.5
328.01767	0.5
329.02982	100.0
330.03271	9.1
408.98444	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	408.9867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68723	0.3
61.24678	0.3
63.88097	0.3
70.11493	1.2
77.64963	0.4
105.18951	0.4
148.25302	0.3
207.07446	0.3
242.99339	1.4
258.01724	0.7
270.98813	33.1
271.99124	3.9
283.99594	1.4
285.00366	1.9
286.01135	2.0
298.98300	54.6
299.98648	6.2
312.99863	4.0
314.00662	70.5
315.00967	5.5
329.02994	100.0
330.03314	6.0
408.98672	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	408.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11507	1.3
95.63544	0.3
99.70699	0.4
126.30935	0.3
133.32918	0.3
202.02594	0.5
220.98741	0.4
230.02043	0.4
234.45615	0.3
242.02301	0.4
242.99214	0.4
258.01566	1.7
270.98804	11.8
271.01624	0.8
283.99536	2.8
285.00369	9.2
286.01132	4.1
297.00354	0.7
298.98309	26.7
299.98694	1.8
311.99219	1.7
312.97040	0.3
312.99872	15.9
314.00641	31.7
315.01053	2.0
327.01501	2.2
329.03000	100.0
330.03329	9.7
364.91119	0.4
408.98468	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	409.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.8
59.01376	10.7
61.98824	4.9
65.91281	0.5
71.01382	4.6
71.14685	1.0
72.99301	1.3
73.02955	1.1
75.00859	1.3
78.88211	0.5
79.95746	0.7
85.02934	1.6
87.00883	0.9
89.02436	4.5
93.03442	2.3
95.01385	0.7
95.04998	0.6
96.96002	5.4
101.02447	3.1
102.59007	0.7
113.02442	1.7
119.03447	1.1
119.04999	0.8
121.02941	4.8
122.03729	8.3
123.04502	1.1
125.02437	1.5
131.03511	0.8
133.02991	1.0
134.03717	0.7
136.01654	2.0
137.02454	1.2
139.04030	1.0
149.02434	35.7
150.03220	58.6
151.03719	3.7
160.04034	0.9
161.04465	2.7
164.04796	8.9
165.05559	100.0
166.05865	5.0
180.04359	3.0
182.02031	0.7
187.09822	0.8
195.04819	1.2
195.06609	22.4
197.04544	1.5
210.99159	1.7
213.07700	2.8
256.07648	0.9
257.08270	0.6
263.11282	1.5
285.07730	5.0
286.08420	6.9
287.08789	0.8
295.10306	1.6
301.10803	13.0
302.11224	1.2
349.14972	2.3
361.12903	38.2
362.13181	3.8
409.07993	1.8
409.15073	4.8
410.15189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97224	0.4
53.29817	0.4
55.01889	0.4
59.01377	18.4
61.28949	0.4
61.98828	3.5
69.03462	0.7
71.01380	7.7
71.59386	0.7
72.99312	0.8
73.02950	2.4
74.99096	0.8
75.00867	0.7
83.01385	1.3
85.02953	3.1
87.00902	1.3
87.04526	1.3
89.02436	5.6
93.03448	2.5
95.01420	1.0
96.96010	10.8
97.06601	1.0
98.95629	0.5
99.00879	0.7
101.02435	5.7
103.04015	0.9
103.67526	0.4
109.02971	0.6
111.04522	0.6
113.02441	3.3
115.07692	0.6
119.03516	1.9
119.05048	1.3
121.02952	2.6
122.03736	8.6
123.04546	0.8
124.01713	0.5
125.02445	2.2
126.02809	0.7
129.05608	0.5
131.03520	2.7
133.02940	1.0
135.04515	0.5
135.21800	0.4
136.01653	0.7
136.99188	0.6
137.02428	1.2
143.03500	1.0
145.02963	0.4
149.02431	11.8
149.03592	0.6
149.04390	0.5
150.03217	64.1
151.03558	2.6
159.06650	0.7
160.04037	0.5
161.04561	3.7
163.06140	0.8
164.03616	0.4
164.04825	2.7
165.05557	100.0
166.05890	5.4
179.05605	1.4
180.04250	2.9
185.06082	0.5
187.09695	1.0
188.57259	0.5
193.03528	1.1
195.06610	39.1
196.06963	1.8
210.18611	0.4
210.99132	0.6
213.07671	1.1
225.31371	0.5
241.00096	0.4
248.09235	1.3
263.11255	1.3
271.10751	1.0
275.01981	0.5
280.41397	0.5
285.07593	0.6
286.08398	1.5
289.11215	2.6
289.13965	0.5
290.47458	0.4
295.10242	2.8
301.00522	0.5
301.10834	2.9
301.13727	0.5
306.34918	0.4
315.09772	1.0
349.14838	1.3
349.18594	4.7
361.12921	5.2
403.43732	0.5
409.06165	4.7
409.13293	3.7
409.17331	0.6
410.06186	0.5
410.14111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15086	3.7
59.01369	12.5
61.98816	7.4
69.56949	11.8
69.57352	9.8
71.01342	6.8
79.95731	32.4
80.96512	4.4
96.96011	7.2
101.02407	7.7
113.02496	3.7
115.18856	3.4
121.02910	13.9
127.03993	6.9
145.02866	3.0
147.04445	6.9
159.04485	4.4
160.04028	20.6
161.04802	7.6
162.05606	8.0
240.04129	5.3
269.08176	55.8
270.08527	3.6
271.09753	7.0
281.08093	10.4
283.09982	3.9
285.12479	3.9
299.09219	49.6
314.00580	5.1
314.11591	81.2
315.11774	7.8
329.02890	5.5
329.10550	6.9
329.14175	85.5
330.14200	9.7
409.09729	100.0
409.19589	9.8
410.09943	8.2
427.54065	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03436	2.0
58.00586	2.0
59.01379	100.0
61.98842	6.2
69.03451	0.9
69.29644	2.3
69.30066	5.2
71.01381	35.3
72.99306	3.4
73.02941	13.9
83.01393	2.9
85.02953	11.8
87.00877	3.2
87.04525	1.9
89.02445	36.3
95.01396	1.7
96.96008	4.2
97.02963	1.7
99.00894	2.0
99.04519	1.1
101.02439	26.0
101.06073	0.9
103.03980	0.9
105.08870	0.9
112.62703	0.8
113.02442	18.6
115.04031	2.0
117.05576	1.8
119.03509	14.5
125.02446	3.3
131.03484	1.5
135.98376	1.2
136.99084	1.5
143.03500	3.6
147.04497	1.9
149.04507	1.6
158.07237	2.4
159.03041	1.7
159.05681	1.1
161.04541	12.7
165.05627	1.2
179.05614	11.2
186.06749	2.3
187.13373	3.3
188.08290	1.2
211.09792	1.7
246.08858	2.5
267.07236	3.8
279.27679	0.8
286.23367	0.9
297.76965	1.0
306.10898	3.6
327.10501	1.5
349.18640	30.4
350.18948	2.4
366.13004	3.7
373.11325	2.0
409.07687	2.2
409.12714	7.7
409.17184	5.0
410.12582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06450	0.8
55.01878	1.1
56.84636	0.9
57.03438	1.0
59.01376	100.0
59.22305	0.9
60.01688	1.4
61.98814	3.1
69.50782	0.8
69.65031	6.0
71.01377	30.7
72.99308	2.9
73.02940	6.9
75.00874	1.9
81.60339	0.9
83.01370	3.6
85.02941	9.3
87.00865	2.2
87.04494	1.9
89.02442	29.8
95.01353	1.8
96.96000	3.6
97.02956	1.4
99.00848	2.4
101.02441	26.8
101.06091	6.8
103.03998	3.6
106.04184	1.1
109.02943	2.0
113.02455	14.6
117.05550	1.6
119.03496	16.7
120.99628	1.0
125.02438	7.7
131.03465	2.1
131.07132	1.2
134.32323	0.9
137.73537	1.0
143.03477	3.7
149.04506	1.5
150.03168	3.1
153.01952	1.6
159.10255	1.8
161.04527	13.7
165.05573	1.8
179.05573	9.5
179.07074	1.8
183.01166	2.3
187.13425	4.8
200.89748	0.9
249.06248	0.9
277.04904	0.9
295.10434	4.3
297.05792	1.0
298.01221	1.0
321.04187	7.4
349.18619	36.3
350.18918	2.8
409.11911	1.8
409.16986	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45530	0.8
55.01870	1.3
57.03434	1.8
58.00594	1.3
59.01377	100.0
61.98819	3.8
69.03441	1.1
69.47358	5.9
71.01379	33.5
72.99285	2.9
73.02945	9.1
74.03244	0.9
74.99075	1.0
75.00875	1.8
83.01383	4.7
85.02953	8.9
87.00862	3.0
87.04488	2.3
89.02440	31.3
95.01370	2.7
96.96001	4.4
97.02979	0.9
99.00855	3.1
101.02437	25.7
101.06081	12.0
102.02786	0.9
103.03992	5.7
109.02933	2.5
113.02438	16.8
115.03961	1.4
117.05595	2.2
119.03498	16.9
119.05001	1.2
120.99643	1.0
121.02934	1.0
123.04506	1.5
125.02441	10.8
131.03496	2.8
131.07115	1.8
136.99110	1.0
137.02434	1.9
141.00130	1.7
143.03462	4.2
145.05031	1.7
149.02423	1.4
150.03177	2.3
150.88667	1.0
153.01944	1.7
159.10280	4.6
161.02460	2.0
161.04543	13.4
164.01004	1.1
165.01912	1.3
165.05525	3.4
167.03551	0.8
179.05608	12.2
179.07080	2.0
183.01180	1.8
187.13368	3.0
192.00513	0.9
192.42947	0.8
249.06293	1.0
249.14108	0.7
271.02878	1.0
289.07034	1.3
291.18439	1.1
295.10318	3.5
321.04318	9.1
349.18640	34.7
350.18979	4.6
409.06433	2.0
409.11588	3.3
409.16882	9.6
409.24634	1.7
410.12650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0235
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01364	1.2
59.16608	0.6
60.01530	0.5
63.92256	0.5
69.86468	2.7
69.86864	1.3
71.01375	2.4
72.99310	1.0
73.02937	1.4
74.93372	0.5
75.00884	0.7
76.61034	0.5
79.95715	3.0
80.96513	2.1
83.01405	1.0
85.01028	0.8
85.02943	1.9
87.00867	1.1
93.82854	0.8
96.96007	100.0
98.19942	0.7
99.00873	1.2
101.02433	1.6
111.97601	0.6
112.98746	0.7
113.02430	0.8
125.01509	1.2
125.02439	24.0
126.02769	0.7
129.03651	0.8
133.05098	1.2
150.96973	0.8
157.01427	0.7
166.96600	1.0
168.00656	0.6
169.01413	40.4
170.01744	1.2
171.01112	0.7
182.39526	0.6
191.03726	0.7
222.98941	0.6
233.04782	0.8
241.00226	71.9
242.00537	1.9
263.05832	2.3
331.06656	6.9
367.03366	1.3
379.06824	0.9
411.02429	79.4
411.09445	12.8
412.02670	4.9
412.09747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0236
Annotation	Turgorin
Peak:m/z	Relative Intensity
54.93768	0.5
58.38532	0.4
59.01375	0.6
69.11869	0.5
69.45439	2.7
69.45849	0.9
71.01372	0.8
73.81832	0.5
79.95748	2.6
80.96512	2.5
85.02924	0.7
87.00858	1.0
89.53167	0.6
96.96005	100.0
97.02965	0.7
101.02426	1.6
107.01334	0.5
113.02451	1.0
125.02444	22.3
126.02737	0.6
133.05165	0.5
138.97079	0.5
150.97025	0.4
158.30022	0.5
166.96556	0.8
167.03468	0.9
168.00690	0.9
169.01410	38.7
170.01741	1.7
171.44894	0.5
222.99162	1.2
241.00212	73.7
242.00549	2.3
272.91812	0.5
331.06683	6.5
362.22736	0.5
367.03027	0.6
411.02344	80.2
412.02692	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	411.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.1
71.01382	2.1
71.57555	0.8
73.02953	0.9
77.61101	0.7
79.95737	1.8
80.96518	2.9
83.01379	1.0
85.02966	1.2
87.00871	1.7
96.96008	100.0
101.02435	1.0
106.95123	0.6
113.02433	1.5
117.01949	1.2
125.01507	1.4
125.02438	22.8
126.02766	0.8
133.05064	1.6
137.77362	0.6
138.97115	0.8
139.72926	0.7
159.02835	0.6
168.00665	0.9
169.01425	40.9
170.01793	2.0
241.00218	71.3
242.00499	3.0
331.06625	6.9
332.07062	0.7
342.33459	0.6
395.76483	0.8
396.34933	0.7
411.02356	76.9
411.14362	1.5
412.02783	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	411.1659
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01860	1.3
57.03437	1.5
58.00587	1.4
59.01377	54.3
60.01720	0.8
61.98822	0.6
68.03416	0.5
68.78045	0.5
70.61861	1.2
70.62199	0.6
71.01379	26.9
71.03018	0.5
72.01730	0.6
72.99312	3.3
73.02933	1.2
78.90475	0.5
83.01374	2.5
85.02940	6.8
87.00851	1.2
89.02440	23.9
95.01369	1.5
96.96010	1.8
99.00903	1.0
101.02438	16.3
113.02450	10.3
117.61918	0.5
118.18237	0.6
119.03495	7.9
121.02940	0.6
133.02950	0.6
134.03670	0.7
137.02440	0.7
143.03398	0.5
146.03751	0.8
147.04504	1.2
149.06052	0.6
158.03703	1.5
159.04507	3.6
159.08136	0.6
160.05196	0.5
172.05328	3.1
173.06050	5.4
174.06749	0.7
175.07500	0.6
177.01997	0.5
179.05551	1.3
187.04018	4.6
187.07619	23.0
188.08044	1.7
190.06343	0.5
201.05577	6.5
201.09225	0.7
202.06337	35.8
203.06804	2.4
203.10750	1.6
204.04268	0.6
204.07878	0.6
213.09233	1.5
216.07800	2.9
220.07466	0.7
231.10234	46.8
232.10455	3.4
240.95845	0.6
241.00313	0.8
249.11295	1.4
268.54501	0.5
281.71323	0.5
323.07504	0.9
382.12497	1.5
411.16571	100.0
412.16931	12.6
432.97650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79242	0.5
58.43969	0.6
59.01377	100.0
60.01691	1.0
60.65073	0.4
98.19864	1.3
123.53842	0.5
141.09209	0.8
191.42393	0.5
411.31415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79521	0.4
58.37401	0.5
59.01376	100.0
60.01708	1.5
62.01430	0.5
89.91224	0.6
99.57839	0.5
103.71402	0.5
177.00244	0.5
224.55164	0.6
411.31329	1.6
427.47546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.7
58.00581	1.6
59.01103	1.9
59.01376	26.0
61.98830	5.6
67.01849	1.3
68.99795	2.0
69.03403	1.9
69.59723	7.8
71.00997	2.0
71.01376	31.6
72.99297	4.6
73.02940	12.6
74.68373	1.1
75.00872	14.5
79.95723	1.1
83.01373	2.5
85.02950	28.2
87.00875	9.5
89.02441	10.8
91.03999	0.9
93.03450	20.5
95.01390	6.4
96.96002	1.4
98.19877	2.0
99.00874	10.6
100.91678	0.9
101.02435	6.6
103.00350	1.8
103.04031	2.2
108.02204	1.2
111.00903	2.0
113.02445	36.5
114.77692	1.0
115.00341	1.9
117.01894	1.6
117.03437	2.8
119.05019	42.5
120.99635	2.7
129.01886	2.4
131.03508	6.5
135.04539	2.0
136.01646	2.5
137.02435	48.1
138.02766	2.3
145.02959	18.5
146.03302	1.4
146.30240	1.0
157.01321	2.1
161.04518	1.1
163.03995	36.4
164.04314	1.3
175.02504	2.2
179.03514	11.8
207.04971	1.6
209.04530	1.7
209.08107	2.3
229.64172	1.1
231.04922	1.8
237.07623	3.9
239.05556	3.7
249.06140	20.9
267.07202	100.0
268.07452	4.7
281.06647	18.8
282.06842	1.3
355.10233	2.3
413.10776	95.1
414.11078	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62262	0.2
55.01889	0.3
57.03434	0.7
59.01376	100.0
60.01710	1.1
67.83820	0.3
69.29776	2.9
71.01376	6.1
71.37376	0.3
73.02955	1.8
82.01258	0.3
83.01389	1.3
84.35409	0.3
85.02946	3.8
87.00886	0.5
89.02437	2.2
90.26305	0.3
96.88446	0.3
96.96005	1.4
99.00899	1.3
101.02433	4.8
103.20562	0.3
103.90775	0.3
113.02419	2.4
116.84898	0.3
119.03517	0.6
151.11258	0.8
159.03020	0.4
160.91559	0.3
161.04546	2.2
165.59142	0.3
169.01447	0.4
195.10260	1.7
209.15483	0.9
272.99545	0.9
274.99615	0.4
297.00610	0.5
298.98260	0.4
300.98773	1.9
314.00809	0.6
316.01120	1.5
318.01648	0.4
329.03104	0.9
331.03555	3.8
333.04147	1.0
353.19775	2.1
371.20663	5.9
371.24963	0.5
372.21194	0.8
375.16269	0.5
413.04892	0.3
413.22061	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01705	1.5
71.43741	1.1
89.67503	0.6
98.07952	0.6
118.12371	0.6
123.65424	0.6
147.99803	0.7
268.10123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64928	0.6
51.40839	0.6
56.27561	0.7
56.65737	0.6
59.01374	100.0
60.01691	1.2
60.40459	0.6
71.17145	1.0
127.46919	0.7
162.16525	0.7
173.24910	0.6
176.35416	0.6
188.48651	0.6
194.55025	0.7
194.57820	0.6
227.69263	0.7
245.78235	0.6
326.30676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
68.48679	0.5
70.75792	0.5
71.01376	2.1
85.02940	0.5
86.14315	0.6
87.00935	0.7
89.02451	1.6
96.95999	1.9
98.19857	1.2
101.02452	0.9
107.01329	0.5
111.98485	0.5
113.02422	0.6
121.06643	0.6
125.02434	2.9
135.21451	0.8
138.09219	0.9
151.00371	1.4
153.01900	1.0
158.63454	0.6
169.01460	1.0
186.80286	0.6
189.01871	0.8
192.00648	0.6
199.04195	0.6
202.02530	0.8
211.03879	0.8
214.02718	0.9
217.01398	1.1
218.02138	0.6
225.05560	0.7
226.02774	0.8
227.03494	9.5
227.07008	0.9
228.04074	1.1
228.07878	0.8
229.01476	0.9
229.05061	0.6
230.02205	0.8
230.99345	1.7
232.00092	2.4
233.00630	0.7
239.03487	0.8
240.04266	1.0
241.05081	2.2
243.02779	0.8
243.06572	1.6
245.00876	9.2
246.01512	1.3
253.01350	1.1
254.02177	1.5
255.02946	3.2
255.06479	3.7
256.03760	1.8
256.07227	0.8
257.04556	2.2
265.05228	0.7
267.03040	0.8
267.06381	0.7
268.03833	0.6
269.00980	3.4
269.04370	3.5
271.02451	3.4
271.06085	1.5
271.09619	0.8
273.04004	0.9
280.03918	0.8
281.00983	1.1
281.04480	0.6
281.08148	0.7
282.01807	0.9
283.02451	2.0
283.06085	5.6
283.09207	0.8
284.03745	0.8
284.06836	3.3
285.00427	6.4
285.03653	1.0
285.07297	0.7
293.08994	0.7
295.02640	2.6
296.03244	1.1
297.04050	2.1
297.07626	1.0
298.04727	0.9
299.01950	6.6
299.05609	2.2
299.09250	2.2
300.02420	0.8
300.06027	0.9
301.03543	4.7
301.06677	0.9
302.04092	1.1
309.07785	1.4
310.04810	0.7
311.02084	0.9
313.03448	1.4
324.02631	1.0
325.03580	1.2
325.07111	1.3
327.04965	3.4
327.08710	7.0
328.05637	1.0
343.08264	2.0
353.02859	1.5
353.06604	2.5
356.08841	0.8
366.80823	0.6
371.07678	29.6
372.08154	3.3
397.05591	6.2
398.05960	1.1
415.06665	100.0
416.06903	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	415.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
58.00590	0.4
59.01376	4.8
65.08601	0.3
67.01877	1.1
69.03444	0.5
69.44223	1.3
69.44640	1.4
71.01376	4.1
71.05025	0.6
72.99287	1.0
73.02926	1.1
75.00845	0.5
79.01891	1.7
83.01373	1.4
83.05022	0.6
85.02951	2.3
87.00865	0.5
88.87105	0.3
89.02438	1.2
95.01373	2.7
97.02926	0.7
98.19900	0.6
99.00847	0.7
101.02428	2.1
101.06075	1.0
107.01379	5.6
111.00881	3.5
113.02416	1.3
123.00886	15.9
124.01686	2.8
125.02442	19.8
126.02773	0.9
127.00341	0.9
136.98770	1.7
139.00360	5.6
140.01178	3.5
141.01958	2.3
151.00356	8.9
152.00612	0.4
153.01952	0.8
167.03511	0.5
168.00627	3.6
169.01414	20.0
170.01707	0.6
177.03987	1.1
178.52200	0.4
179.03337	0.5
181.05104	0.5
211.02399	1.8
213.59679	0.3
223.02448	0.3
271.04514	1.3
313.05652	1.4
415.12408	100.0
416.12756	11.5
416.18472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06858	0.8
59.01376	11.7
71.01381	11.7
71.35753	1.2
71.36071	0.8
72.99291	0.9
73.02933	2.9
80.59509	0.7
83.01361	2.3
85.02951	4.5
85.42065	0.7
89.02448	4.0
90.38132	0.8
92.02681	1.1
93.03454	40.1
94.03785	1.0
95.01378	2.8
99.00890	1.2
101.02448	8.6
101.32580	0.9
105.01908	1.1
107.05007	2.3
108.02159	1.7
109.02915	1.0
113.02437	5.0
119.03458	1.1
121.02957	1.2
135.04498	2.5
135.48499	0.8
136.01653	24.8
137.02438	100.0
138.02750	4.1
149.02376	3.3
151.03992	10.9
153.01941	1.5
161.04497	3.6
179.03485	82.4
180.03784	3.3
181.05023	1.4
181.50604	0.8
195.03033	2.3
209.04527	15.1
239.05598	55.1
240.05884	4.2
255.05061	3.0
269.10309	6.6
278.05655	0.8
295.10358	8.9
299.07739	5.0
415.12378	75.8
416.12704	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.0
69.03445	1.7
69.53220	9.1
71.01371	9.6
73.02937	7.1
84.82153	1.3
85.02945	7.0
87.00873	73.2
88.87682	1.3
89.02428	5.8
91.61337	1.3
101.02412	4.3
109.03053	1.4
113.02422	1.7
123.04537	13.8
131.03450	1.7
135.04500	3.1
137.02432	3.6
149.04538	3.5
153.05560	18.9
166.06323	14.3
167.07175	2.8
173.55394	1.4
179.03490	4.7
181.08676	17.7
191.05557	1.8
193.08588	1.4
207.67413	1.5
239.05470	1.6
262.34174	1.5
312.12204	3.5
327.14471	31.3
328.14648	2.5
330.41669	1.5
350.51401	1.6
415.07019	3.7
415.16092	100.0
416.16574	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	415.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40870	0.5
59.01376	100.0
60.01715	1.0
71.01376	5.8
71.72475	0.5
73.02950	1.5
78.95916	2.0
80.75439	0.5
83.01403	0.7
85.02940	3.1
86.46845	0.5
87.00883	1.3
88.98822	1.3
89.02456	2.3
93.03477	1.6
95.01378	0.6
96.96029	1.6
96.96994	0.8
98.20749	0.8
99.00847	0.7
101.02438	4.0
108.02170	0.7
109.02950	2.5
113.02445	3.4
119.03556	0.6
119.05035	0.9
121.02951	0.9
123.00890	1.7
123.04585	0.8
124.01655	1.2
125.02464	1.3
125.88891	0.4
131.03497	1.1
135.04515	0.6
137.02446	3.2
138.03230	0.6
139.04047	1.7
142.29846	0.5
150.06831	3.0
151.03960	1.0
151.07666	1.4
152.01201	1.6
153.01973	2.2
161.04558	3.4
163.04028	0.6
169.01372	0.6
175.03973	0.5
179.03477	2.3
181.05069	1.0
191.05594	0.6
194.05865	0.7
195.03003	2.1
209.08128	1.1
211.09721	0.6
227.03487	0.6
239.05656	0.7
255.05003	2.3
283.11816	1.4
299.02155	0.7
353.07056	0.6
364.03824	0.5
371.07776	2.4
397.05902	1.4
415.06778	6.7
415.12509	8.0
416.07004	0.8
416.12595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41770	0.4
57.02145	0.4
59.01373	1.9
59.22260	0.4
61.98821	0.5
63.49354	0.3
66.69108	0.4
68.22652	0.4
69.27660	3.2
69.28084	0.8
74.99095	6.9
75.00873	0.4
77.00663	76.0
78.00973	0.7
101.40202	0.4
113.96024	0.3
128.37552	0.4
147.08127	1.4
149.09657	1.9
161.09746	0.8
162.65079	0.4
163.11273	2.2
187.11253	2.8
265.12256	0.5
279.13861	1.0
280.14703	1.2
307.17075	0.7
309.22284	2.4
321.18634	0.4
322.19308	0.5
337.21704	100.0
338.22052	12.3
373.96036	0.5
415.23096	18.3
415.31689	0.9
416.23489	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	100.0
60.01715	1.2
66.56499	0.4
69.44656	3.3
71.01378	9.7
72.99320	0.4
73.02956	1.6
83.01379	0.7
85.02955	2.4
89.02441	8.1
93.03455	1.3
95.01365	0.8
96.96009	2.5
101.02438	5.1
111.06249	0.3
113.02436	3.4
119.03509	2.6
137.02448	3.3
161.04562	0.6
165.04077	1.1
223.13469	0.8
224.48431	0.4
246.98891	1.0
300.23862	0.5
397.50980	0.4
415.06842	1.5
431.42606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3215
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01362	1.4
61.98811	0.3
62.38899	0.3
64.52493	0.3
70.80419	0.9
83.05004	0.3
95.93401	0.3
146.57779	0.3
152.71793	0.3
202.35841	0.3
223.98344	0.4
353.28284	1.7
415.32135	100.0
416.32498	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	417.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28609	0.5
57.03441	0.7
59.01378	2.0
69.28641	5.3
89.02455	0.7
96.95982	1.4
98.19904	1.3
100.61149	0.5
101.02448	0.6
108.99784	0.5
109.02944	0.7
117.03490	1.2
120.99589	0.6
125.02458	2.5
137.02443	3.4
145.02942	3.7
151.00334	1.8
151.04066	0.6
153.01927	0.6
163.00339	0.9
164.01135	1.9
165.01962	1.3
166.02672	0.8
175.07597	0.9
176.04738	0.8
177.01950	0.9
178.99898	1.0
179.03442	4.5
181.05054	2.2
183.04390	1.1
185.06078	0.9
187.03943	1.1
187.07613	1.2
205.08711	1.2
211.03958	1.9
227.03481	64.1
228.03841	4.6
229.04997	1.4
237.11424	0.8
239.03477	0.7
241.08528	0.7
255.02966	83.2
256.03534	12.1
257.04449	1.0
284.03241	78.7
285.03912	21.5
286.04337	1.7
342.95950	0.6
367.11932	1.9
371.03888	0.6
383.37131	0.6
399.14450	1.4
417.08209	100.0
418.08475	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	417.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
58.99583	1.6
59.01374	48.8
61.10160	1.4
61.98814	6.3
67.01907	3.5
69.03442	3.1
71.00999	2.8
71.01379	38.6
71.04838	3.3
72.97495	2.6
72.99294	5.9
73.02938	9.3
74.99078	2.3
75.00857	4.7
77.17956	1.4
78.25900	1.8
81.03455	1.6
83.01367	5.3
85.02944	12.4
87.00864	5.1
87.04491	2.1
88.98791	1.8
89.02444	29.8
90.20297	1.5
93.03453	25.3
95.01377	4.8
96.96004	14.2
97.02938	4.1
99.00877	4.3
101.02431	19.9
103.00371	1.6
103.04000	7.5
107.01360	5.1
108.02222	2.5
109.02935	6.2
111.00877	3.8
113.02444	19.0
115.04011	2.0
118.98113	2.4
119.03509	7.3
119.04962	1.5
120.99667	7.0
121.02949	3.8
123.00887	27.8
123.04493	10.3
124.01659	4.7
125.02442	48.9
127.00427	2.0
131.03499	3.6
136.01703	1.6
136.98863	1.9
137.02441	59.2
137.06067	2.8
138.03165	6.6
139.00369	6.4
139.03987	1.6
140.01178	2.6
141.01907	2.8
149.02419	2.0
149.04608	2.3
151.00391	14.3
151.04051	3.6
152.04749	3.7
153.01881	5.1
153.05563	1.8
161.04518	4.5
163.03961	1.8
165.05478	2.2
165.09155	1.9
166.06369	2.9
167.03479	11.9
167.07069	7.1
168.00642	8.0
169.01408	62.7
170.01811	2.7
174.02528	2.0
179.03464	5.3
181.05000	7.5
181.08681	3.4
189.09119	2.1
191.03403	1.9
193.08524	1.8
196.03722	2.1
207.10252	2.9
211.02478	24.7
211.06075	13.5
227.09288	1.7
237.11218	2.0
239.05855	2.0
249.06087	4.9
255.08685	9.7
265.09183	5.6
267.07153	2.6
271.04562	30.7
301.09277	4.3
313.05536	3.3
326.46872	1.5
331.06583	2.1
382.11511	1.6
399.09241	6.3
410.18188	1.5
417.10193	100.0
417.14368	42.8
418.09506	8.4
418.14612	4.9
429.10660	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	417.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51978	1.3
55.01874	1.6
56.20721	1.4
57.03441	5.2
58.00588	2.2
59.01378	65.8
61.98836	3.4
65.00336	2.1
67.01863	2.1
68.99812	4.0
69.03448	3.0
70.43951	4.2
71.01378	48.5
72.99292	9.5
73.02945	11.3
75.00877	21.6
77.28237	1.5
81.03477	2.4
83.01369	7.7
84.89723	1.4
84.94638	1.7
85.02944	35.4
87.00880	8.6
87.04517	5.1
89.02438	36.5
91.01904	8.9
93.03454	30.6
95.01404	10.5
96.96009	5.6
97.02945	2.5
99.00879	15.3
101.02439	21.4
103.00354	2.4
103.04007	10.3
107.01398	4.8
108.02149	8.3
109.02950	9.2
111.00877	4.7
113.02448	37.9
115.00392	2.5
115.04025	3.6
117.01955	4.2
119.03494	7.2
119.05032	2.3
121.02940	3.1
123.00878	11.1
123.04520	47.8
125.02459	17.2
127.00280	1.5
129.01906	3.8
131.03487	4.8
135.04539	2.8
136.01668	3.0
137.02437	94.4
138.02824	2.1
139.00362	6.5
139.03922	1.9
140.01117	1.6
141.01945	2.7
143.03580	2.1
149.04507	3.5
151.00406	9.3
151.04004	3.0
152.01105	3.4
153.01923	10.4
158.06165	1.9
161.04579	5.0
163.07387	1.5
166.06328	4.9
167.03488	77.9
167.07101	4.9
168.00710	2.4
168.03847	4.8
169.01419	23.1
175.02502	2.6
179.03493	13.7
179.05588	2.5
180.07928	2.0
181.08698	4.0
191.03630	1.6
192.07898	5.2
195.10274	2.7
197.04509	1.9
207.10204	2.2
209.04716	1.9
211.02486	10.1
211.06079	5.1
225.11343	2.0
226.04782	3.3
227.05605	4.6
231.05028	4.1
237.11316	4.0
239.05569	7.0
241.07089	8.7
249.06133	44.8
250.06551	2.2
255.08719	2.7
255.12340	3.3
265.09290	9.5
267.07217	15.0
271.04584	12.0
307.37350	1.6
313.05862	2.1
355.10480	2.3
369.15701	3.8
375.65765	1.7
385.07404	2.7
387.16595	1.7
388.75613	1.6
399.09491	11.3
399.16504	7.5
417.10199	100.0
417.14453	45.6
417.18213	7.3
418.10538	9.3
418.14694	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03438	1.4
59.01378	14.4
60.01698	0.4
61.98825	0.9
67.01874	0.6
68.99828	0.7
69.03460	0.5
71.01378	17.3
72.99313	1.2
73.02944	5.3
75.00879	0.6
79.01892	0.6
83.01376	2.6
85.02939	7.0
87.00886	1.4
87.04510	0.6
89.02433	3.9
93.03452	9.6
94.03783	0.5
95.01379	2.5
96.96037	0.5
97.02934	0.8
98.20760	0.6
99.00873	2.2
101.02435	9.6
103.04016	0.7
107.01387	2.7
108.02180	0.7
109.02906	2.1
111.00887	1.7
113.02441	6.2
115.03996	0.5
117.05643	0.5
119.03501	1.3
121.02950	17.6
123.00880	11.8
124.01706	0.5
125.02444	12.9
127.00365	0.8
133.05058	4.0
135.04512	1.4
135.06619	1.7
136.01740	0.5
136.98807	2.0
137.02443	23.1
138.02861	0.9
139.00359	4.5
140.01163	2.3
141.01924	1.0
143.03471	0.9
151.00360	8.7
151.03940	0.7
153.01907	0.9
157.05124	0.5
159.02937	1.4
161.04553	7.7
163.04019	0.7
166.06343	79.8
167.06696	2.6
168.00635	3.3
169.01416	14.5
179.03465	2.7
181.08693	69.5
182.09045	3.2
211.02379	0.6
235.08131	2.9
239.05635	1.2
281.06729	1.1
307.44183	0.4
313.05417	0.8
319.20850	0.4
339.08792	0.6
352.42197	0.4
417.13965	100.0
418.14316	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03424	2.1
58.00588	2.3
59.01377	86.9
60.89061	0.8
61.98830	1.7
67.01887	1.2
68.99797	0.9
69.03459	8.1
71.01378	90.8
71.58923	0.9
72.99318	5.1
73.02940	16.2
73.85905	0.8
75.00870	4.0
79.01888	1.6
81.03448	4.1
81.22346	1.0
83.01371	7.8
85.02940	16.0
87.00868	3.6
88.98788	6.3
89.02440	100.0
90.02771	1.1
93.03461	6.1
95.01387	4.3
96.96004	9.7
97.02946	12.2
99.00876	17.9
99.04517	2.4
101.02446	26.9
103.04019	1.4
107.01421	2.3
108.02170	42.4
109.03036	5.4
111.00900	5.3
113.02451	15.6
115.04001	8.1
119.03466	3.0
119.05087	0.9
121.02946	7.3
123.00880	10.3
123.04537	8.6
124.01643	1.5
125.02437	57.1
126.02777	1.5
127.04057	2.1
131.03506	11.0
133.05063	1.5
135.06622	0.9
136.01637	1.2
136.98874	1.1
137.02443	13.8
139.00343	3.9
140.01129	1.7
141.01877	1.0
143.03468	5.8
149.04546	12.8
151.00349	7.1
153.01942	9.8
161.04539	10.8
165.01942	0.9
166.04945	1.8
166.06346	34.2
167.06738	2.1
168.00633	4.5
169.01410	13.8
169.05052	1.7
173.04539	1.0
177.09216	0.9
179.03462	1.1
181.08702	31.3
182.09019	1.5
191.05577	8.3
194.68907	0.9
207.81389	0.8
230.38979	0.9
233.06647	38.4
234.06929	1.4
235.08069	1.7
239.05644	1.1
250.39542	0.9
293.08755	39.9
294.09097	2.1
319.39133	0.9
343.13998	18.7
376.32965	1.0
417.13968	80.9
418.14279	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	417.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01375	1.7
61.98803	0.2
67.01902	0.4
67.35548	0.2
69.03458	0.3
69.54395	1.5
71.01392	0.5
71.30984	0.2
73.60741	0.2
80.45583	0.2
80.70988	0.2
81.03452	0.6
83.01349	0.4
84.02155	0.3
85.02943	0.6
87.30001	0.2
89.02454	0.2
90.69227	0.2
93.03458	0.5
95.01387	1.2
95.05020	0.8
96.96023	0.8
97.02945	0.5
98.95573	0.3
101.02467	0.3
102.98582	0.5
105.03408	0.2
107.05030	0.4
108.02176	0.3
109.02949	4.2
111.00899	0.5
121.02941	1.1
121.06564	0.3
121.07930	0.2
122.03751	0.2
123.00866	3.9
123.04486	1.1
124.01655	0.8
125.02439	3.0
133.02959	0.7
135.04510	0.6
137.02438	17.8
138.02924	0.3
139.00386	0.4
139.04021	1.1
141.01913	0.2
145.02994	0.3
147.04512	0.6
149.02431	1.7
149.06044	0.7
149.30270	0.2
150.03206	0.6
151.00359	27.6
151.03964	2.0
152.01134	2.4
152.04794	3.4
153.05452	0.5
154.02670	0.3
159.04518	0.7
160.05203	0.2
161.02414	0.5
162.03134	0.5
163.04036	1.2
164.01163	0.9
164.04768	0.7
165.01900	2.2
165.05659	0.3
166.02702	67.9
167.03418	5.3
168.03885	0.3
172.79939	0.2
173.02420	0.5
173.06105	0.3
174.03171	0.4
175.03975	1.6
175.07620	1.0
176.01215	0.4
176.04758	0.9
177.01917	4.0
177.05527	0.3
178.02588	0.7
179.03473	2.8
179.07144	0.3
181.05052	100.0
182.05371	4.3
184.03763	1.3
187.03951	0.6
187.07639	0.6
188.04790	0.3
189.05577	0.7
190.02661	0.6
190.06306	1.1
191.03510	1.5
192.04204	1.4
193.05054	1.3
195.03006	1.0
201.05501	0.3
203.03503	0.7
203.07111	0.5
204.04251	0.4
205.05023	1.3
205.08676	2.6
206.05664	0.4
207.06573	1.8
209.04539	0.4
217.05055	0.7
218.05550	0.2
219.06625	0.8
220.07312	0.2
221.04488	0.2
224.03177	0.3
227.03471	0.7
229.08693	0.4
233.08003	0.3
235.06120	0.6
237.11317	0.4
244.07422	0.3
255.03064	1.0
258.08783	0.2
267.06516	0.3
268.07224	0.2
283.09515	0.3
284.03271	0.9
285.03989	0.5
299.05725	0.3
301.07092	0.8
301.10718	0.3
314.07904	0.4
316.09280	0.4
329.10272	0.7
341.10321	0.3
356.12494	0.4
357.09821	0.5
359.11295	2.8
360.11649	0.3
367.11850	1.2
371.14853	1.2
371.24277	0.2
372.08426	0.4
385.12805	0.6
387.10818	18.6
388.11185	1.9
399.14328	0.9
402.13129	12.2
403.13330	1.5
417.15512	39.7
418.15897	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26122	0.8
55.01879	2.8
57.03421	2.1
57.94414	0.8
59.01377	100.0
59.52010	0.7
60.01702	1.2
61.98531	0.8
61.98830	1.3
69.03441	1.1
71.01379	37.4
72.99316	0.9
73.02944	10.7
75.00864	1.3
83.01376	4.8
85.02946	15.6
87.00878	4.2
87.76468	0.8
89.02423	5.0
95.01405	2.6
96.96021	2.7
97.02954	1.3
99.00858	4.9
101.02436	23.5
102.02833	0.8
103.43282	0.7
113.02441	15.7
116.73164	0.7
120.99668	1.0
123.04547	3.1
125.02477	1.4
129.01921	1.2
139.00414	1.7
143.03529	2.7
145.49184	0.8
154.02728	1.1
159.02991	4.3
161.04547	53.4
162.04974	1.5
165.03920	0.8
165.09190	13.3
166.06448	1.0
167.03555	1.6
169.05217	1.1
181.05113	1.4
193.08641	0.9
198.20811	0.8
205.03421	1.3
224.52600	0.8
237.11285	0.9
255.50597	0.9
316.09879	0.8
339.08923	2.0
357.15509	34.0
358.15948	2.8
369.13724	2.1
402.12592	0.8
417.07605	1.9
417.17889	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.6
55.37350	0.8
57.03434	2.4
58.00606	0.8
59.01375	67.2
61.98823	8.8
65.95238	0.7
67.01867	1.0
69.03452	1.4
70.28723	2.9
71.01379	41.5
72.01699	1.0
72.99291	2.5
73.02936	12.1
73.21454	0.8
75.00862	2.2
83.01384	5.0
85.02949	18.4
87.00857	2.7
89.02445	6.0
91.15533	0.9
95.01381	4.0
96.96026	2.7
97.02966	1.1
99.00874	6.8
101.02435	24.3
102.98605	1.9
107.01381	3.4
111.00855	3.3
111.08161	1.9
113.02442	18.2
121.02150	1.2
121.02943	11.4
123.00877	13.4
124.01704	1.5
125.02432	15.9
129.01958	1.1
130.75069	0.9
135.04518	2.8
136.98810	1.1
138.03252	1.0
139.00409	5.9
139.07639	22.8
140.01131	2.5
140.07979	1.3
141.01924	1.7
143.03470	2.6
151.00359	11.9
153.01917	1.4
153.05544	1.3
156.41853	0.8
159.02965	3.6
161.04541	50.8
162.04913	1.3
165.05482	0.8
167.07108	2.4
168.00632	3.2
169.01399	19.9
178.12698	0.8
186.03250	0.9
186.49483	0.8
195.10255	6.2
201.05554	1.5
205.03418	1.0
211.02409	1.4
228.85071	0.9
271.04950	1.1
289.07083	0.9
311.09149	1.1
313.05682	1.8
327.08633	1.0
339.08673	3.6
341.10156	0.9
354.11160	3.9
357.15533	18.2
358.15826	2.0
369.13303	2.5
387.14517	1.8
417.13953	100.0
418.14056	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03442	1.7
59.01377	100.0
60.01714	1.4
61.98829	2.0
65.98489	0.9
67.49984	0.8
69.66386	6.2
71.01381	39.2
72.01733	1.1
73.02942	10.9
83.01378	4.4
83.47890	1.0
85.02947	14.3
87.00853	1.0
89.02442	16.9
90.02766	1.2
91.02882	1.9
94.18613	0.9
95.01392	2.8
96.96001	2.7
97.02965	1.0
98.19970	1.7
99.00868	7.7
101.02443	24.0
102.02747	0.8
107.20660	0.9
111.08152	2.6
113.02441	19.4
119.03470	3.4
125.02432	2.1
127.61259	0.9
131.03465	1.0
139.07643	16.4
143.03487	2.0
149.04507	3.5
150.04832	1.3
151.04929	1.4
154.87120	1.1
159.02966	4.2
161.04549	50.0
162.04953	1.6
165.01895	1.9
167.76830	0.9
179.05606	1.8
181.05145	1.1
195.10239	3.1
219.10324	1.2
269.62686	0.9
344.71890	1.0
352.00897	0.9
357.15475	29.3
358.15787	2.9
396.97546	1.0
417.17130	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	417.213
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01880	1.9
57.03445	1.8
58.00591	0.5
59.01381	18.3
60.48886	0.3
61.98827	1.0
71.01381	19.1
71.60394	0.5
72.99293	1.2
73.02944	13.1
74.02663	0.3
75.00881	0.8
80.96518	0.6
83.01382	3.7
85.02953	11.5
87.00873	2.3
89.02447	5.5
95.01388	2.2
96.96003	1.8
97.02936	0.4
99.00877	2.5
101.02436	13.3
101.06102	0.4
102.02802	0.4
102.98598	0.6
107.05015	0.3
111.00872	0.6
111.08116	0.3
113.02448	7.2
115.02460	0.3
119.03480	1.8
125.02424	1.2
129.01926	0.4
133.02950	0.9
137.02417	0.6
140.22540	0.3
145.05072	0.4
151.00371	0.8
158.06088	0.5
159.02957	0.8
159.06458	0.9
161.04514	1.4
163.11313	0.5
164.01123	0.5
165.02002	0.5
180.00702	0.5
181.12338	6.5
202.05035	0.4
222.53098	0.4
237.15012	1.5
239.03387	0.4
240.04318	1.0
255.06779	0.6
255.16031	2.6
269.08389	0.4
278.92563	0.4
285.04019	11.6
286.04422	1.1
297.07693	0.8
313.07144	0.5
341.06726	3.6
385.07898	0.7
417.09616	2.3
417.21268	100.0
418.21573	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	417.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19834	0.7
59.01374	100.0
60.01714	1.1
71.00520	1.3
89.02127	0.7
131.67694	0.8
143.75806	0.7
417.34149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0981
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
54.00597	1.0
54.64148	1.1
57.03435	1.7
59.01376	15.1
61.98824	25.8
63.22804	1.1
68.99812	1.4
69.03447	2.6
70.13264	3.6
71.01375	7.8
71.49240	1.2
72.99316	1.6
73.02952	2.0
75.00867	1.3
81.03461	6.7
81.82189	1.1
83.01376	14.8
83.05019	8.5
85.02946	3.8
89.02441	3.6
93.03426	2.7
95.01379	2.7
95.05001	3.9
96.96020	2.4
97.02937	12.5
97.06538	1.6
99.00879	3.2
101.02414	3.8
107.05011	2.4
108.02142	2.0
109.02942	30.4
109.77584	1.2
111.00894	2.9
111.04478	1.6
113.02438	3.0
120.99667	2.0
121.02936	10.2
121.04402	1.6
121.06597	1.9
122.03780	7.5
123.00843	2.2
123.04522	60.3
123.08166	2.8
124.04822	2.8
125.02406	5.1
125.06079	20.0
126.02660	1.4
127.03961	5.6
135.04520	7.5
135.08192	2.9
137.02449	3.5
137.06110	1.4
137.09680	3.9
139.04045	6.4
139.07613	2.2
141.01945	1.5
143.07126	4.1
145.02940	4.8
146.03749	3.1
148.05293	1.3
149.02417	14.2
149.06062	3.9
150.03186	3.3
151.03972	16.8
151.07652	2.5
153.01909	2.6
159.04472	5.1
161.02472	7.1
161.04570	3.9
161.06053	11.9
162.03203	5.0
163.00346	5.5
163.04002	5.9
163.07648	5.0
164.01155	1.4
165.01913	2.3
165.05559	7.1
165.09155	2.8
169.01416	2.0
169.05032	7.9
171.02919	1.7
175.03987	4.5
176.01088	1.4
177.01944	5.4
177.05527	4.8
177.09106	1.5
179.03484	2.3
179.05656	1.6
179.07150	4.4
181.08644	1.6
185.05960	1.4
187.03996	4.2
187.06119	3.2
188.04800	1.8
189.01779	1.2
189.05540	5.0
190.04750	1.4
191.03485	10.5
191.07146	3.3
202.06258	1.5
203.07150	6.6
205.01404	5.5
205.05045	17.2
206.05417	1.4
211.06082	1.3
219.03026	1.8
221.08215	3.8
223.06157	6.7
225.07651	1.8
229.04956	2.6
231.02913	3.0
233.04614	1.7
247.06064	7.7
267.05103	4.2
271.09912	2.5
285.07611	2.4
287.12866	9.7
289.11078	2.0
313.10852	3.7
316.10608	1.3
329.06589	10.4
331.12054	3.3
333.09665	1.5
339.08643	5.5
341.06635	9.4
357.09659	4.8
358.10315	2.2
359.11795	1.9
373.12839	2.3
375.10654	8.8
375.14865	1.3
383.07626	3.6
401.08652	95.2
402.08899	9.2
404.14975	2.8
419.09778	100.0
419.14493	7.5
420.10248	9.6
420.14996	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	419.1192
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03432	1.1
59.01377	44.7
61.98827	6.2
67.01871	1.0
69.49830	3.9
71.01377	13.7
72.99304	1.4
73.02564	0.5
73.02933	3.1
74.99091	0.6
78.74110	0.5
79.01891	1.4
80.13265	0.5
83.01382	2.1
85.02948	4.6
87.00876	2.8
87.04552	0.9
89.02438	8.4
95.01389	2.5
95.05015	0.5
96.96012	4.6
97.02937	1.1
99.00890	1.3
101.02431	9.3
105.05589	1.0
107.01384	4.8
109.02972	1.0
111.00900	2.5
113.02454	6.1
119.03497	3.6
120.99638	0.8
121.02935	1.0
123.00878	14.1
123.04506	2.1
124.01734	1.0
125.02440	19.6
126.02778	0.7
127.00339	1.2
131.03450	0.7
135.04530	0.8
136.98802	0.8
137.02446	1.8
139.00362	4.7
140.01180	2.8
141.01952	1.8
143.03508	1.0
143.04562	0.7
149.02393	1.1
149.06084	3.0
151.00357	13.1
151.04041	0.6
153.01961	1.2
161.02386	1.0
161.04539	2.4
163.03992	4.6
164.04770	9.0
165.01958	0.8
165.05566	0.9
168.00620	3.0
169.01413	25.7
170.01857	0.5
177.01855	0.7
178.06364	1.8
179.05595	2.4
179.07103	16.3
180.07494	0.8
181.05046	0.7
197.08334	0.7
209.11761	0.7
211.02507	2.1
271.04510	3.0
289.07022	0.6
307.07916	1.0
313.05576	2.5
323.07932	0.7
333.15698	1.1
341.12344	1.4
345.28064	0.6
359.07819	0.7
359.13159	1.2
401.08926	0.8
419.11938	100.0
420.12186	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	419.1194
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.96341	0.5
57.03440	0.5
58.00586	0.6
59.01380	15.2
61.98834	2.4
66.74743	0.4
67.01884	1.4
67.95867	0.4
69.03435	0.5
70.32560	0.4
71.01377	7.2
71.49269	0.6
72.99323	1.3
73.02942	2.0
74.02471	0.6
75.00869	0.5
78.91880	1.0
79.01886	1.2
83.01389	1.6
83.05007	0.5
85.02962	2.4
85.60209	0.4
87.00868	1.8
88.98798	0.5
89.02434	4.3
95.01386	2.1
96.96017	4.9
97.02938	0.7
99.00891	1.1
99.05608	0.9
101.02448	5.8
105.05585	0.9
107.01389	3.7
109.02938	0.8
110.00138	0.4
111.00889	2.1
113.02431	3.4
117.97295	0.7
119.03484	1.4
120.99601	0.7
121.36822	0.4
123.00888	14.4
123.04539	0.7
124.01672	0.5
125.02446	16.4
126.02810	0.7
127.00298	0.6
127.05128	0.4
128.03548	2.4
136.98819	1.4
137.02437	0.6
139.00378	5.8
140.01129	2.8
141.01915	1.9
143.03609	0.7
143.04559	2.9
151.00359	12.1
151.03926	0.6
153.01906	1.2
160.00746	0.7
161.02518	0.5
161.04573	1.4
163.04002	0.7
164.04829	0.7
165.01871	0.4
168.00656	4.2
169.01419	24.7
170.01700	0.9
175.64243	0.5
177.02000	0.5
177.05606	0.4
179.03365	0.7
179.05759	0.7
179.07124	1.4
182.05756	0.8
197.08086	2.2
210.08780	0.5
211.02406	2.3
254.07814	0.6
258.08975	0.5
271.04684	2.2
272.08972	1.3
275.01871	0.6
284.06625	0.5
300.99887	1.1
306.07568	4.8
313.05698	2.2
359.13397	0.8
391.02966	1.4
401.09225	0.6
419.11923	100.0
420.12158	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.134
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
57.03444	1.0
58.00562	0.7
59.01375	19.0
61.98801	2.4
68.04961	0.6
68.99799	1.1
69.39279	6.3
71.01379	12.5
72.99284	1.5
73.02940	1.6
75.73836	0.7
83.01373	1.4
85.02935	4.1
87.00864	0.9
89.02425	8.0
91.05470	0.7
93.03450	45.7
94.03745	1.1
95.01353	2.0
96.95991	2.0
96.99304	0.9
99.00914	1.4
101.02426	6.3
101.06081	1.0
107.05019	1.4
108.02175	1.9
113.02428	5.2
115.07613	2.6
119.03500	1.7
119.05012	7.5
121.02970	2.0
121.38228	0.7
123.04522	0.8
135.04495	1.3
136.01656	7.9
137.02432	100.0
137.06038	2.1
138.02742	3.6
151.04007	2.4
179.03485	21.2
180.03751	0.9
196.62657	0.8
209.04562	2.7
221.04549	1.1
236.07874	0.9
239.05592	8.4
239.16507	0.9
267.07333	1.3
281.06720	5.6
401.12634	1.0
419.13748	89.3
419.23056	3.8
420.14191	9.7
420.23175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
57.94779	1.0
58.00603	1.2
59.01376	100.0
61.98806	1.8
67.11755	0.9
67.21713	1.1
67.27159	0.9
69.41620	7.6
69.42034	2.4
71.01378	32.0
72.99294	4.5
73.02944	3.7
75.00874	1.6
81.03448	2.4
83.01386	5.3
83.05031	3.2
85.02954	9.7
85.06126	1.0
85.51016	1.1
87.00871	4.6
89.02444	22.3
93.03444	1.9
95.01367	2.4
95.05001	2.1
96.95992	5.2
97.02931	4.6
97.06570	1.2
99.00875	2.2
101.02436	13.9
107.05054	2.0
108.04558	2.1
109.02954	10.9
109.06573	1.7
110.11362	1.1
111.00896	2.9
111.08209	1.4
112.98808	1.7
113.02450	11.9
113.28802	1.2
114.02895	1.3
115.03979	2.8
118.95836	1.2
119.03487	9.9
121.02953	4.0
121.06583	2.3
122.03720	2.8
123.00919	1.8
123.04517	17.6
125.02451	3.2
125.06068	3.9
130.99931	1.5
135.04483	2.7
137.02419	1.9
139.00398	1.4
139.03915	2.0
139.07619	2.4
141.01938	1.5
145.03029	1.2
145.06540	2.6
146.03720	1.4
147.04489	1.6
149.02417	4.0
149.06111	1.2
150.05620	3.3
151.03992	4.9
153.01979	2.0
153.05597	2.0
161.04535	4.7
161.06024	3.3
162.03270	1.2
163.03955	2.1
163.07642	1.2
165.05573	4.5
169.01297	2.0
169.05014	2.3
175.03928	1.4
177.01964	2.5
177.05507	2.3
179.05586	3.7
179.07127	4.9
182.05742	2.0
183.06509	1.7
187.03969	1.7
188.05064	1.3
189.05573	2.1
191.03497	1.5
197.08173	9.4
203.07109	2.0
205.04977	5.3
207.06749	1.3
209.07979	2.0
215.03333	1.4
221.08090	1.8
223.06059	1.7
239.08994	1.3
240.03021	1.0
247.06056	2.1
257.10233	1.5
287.12848	1.7
289.07166	2.2
314.24423	1.3
323.07721	4.0
327.10852	47.5
328.11111	3.9
329.06671	3.0
335.63989	1.3
341.06909	2.5
357.09912	1.4
359.07767	7.5
359.13397	32.4
360.13828	3.6
373.12796	2.0
383.09216	1.3
401.08627	23.7
402.08936	3.0
404.14633	1.8
409.77341	1.8
419.09830	28.3
419.14703	1.6
419.19135	2.7
420.10464	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
57.03433	2.2
58.00579	3.3
59.01377	100.0
61.98827	2.9
63.18268	1.4
69.93733	6.3
71.01378	46.0
72.99304	4.3
73.02950	3.0
74.02503	1.5
75.00867	1.9
78.26784	1.2
80.97094	1.3
83.01381	5.1
85.02957	8.0
86.81550	1.2
87.00864	5.0
89.02441	64.0
89.03001	3.1
89.81921	1.2
95.01373	5.9
96.95995	6.6
97.02934	2.6
99.00865	3.4
101.02441	29.4
109.02942	3.7
112.98797	3.1
113.02444	20.7
114.39233	1.5
115.03981	1.8
117.01300	1.3
118.98109	2.0
119.03497	32.0
120.99654	12.7
121.02923	1.7
122.03706	1.9
123.00838	1.8
123.04510	5.1
125.02415	5.0
125.06080	2.2
127.00361	1.5
131.03500	4.6
137.02405	1.8
143.03491	5.7
145.02873	1.5
146.03717	15.3
149.04578	1.6
149.06001	2.1
150.73024	1.6
151.00406	2.6
151.11349	2.3
152.83789	1.4
161.04564	6.2
161.06062	8.1
161.77312	1.4
164.04776	11.1
169.01402	3.3
173.00975	2.0
177.01895	1.7
179.05591	18.4
179.07124	39.6
182.05836	2.7
197.08203	7.8
221.23976	1.5
224.23564	1.4
249.06142	1.9
289.99683	1.4
300.99796	2.2
327.10934	4.9
358.03763	1.6
359.13477	19.4
359.85321	1.4
380.20743	1.4
401.08801	7.8
419.09955	7.0
430.18942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41442	1.8
57.03451	2.4
58.00595	3.4
59.01379	100.0
60.01703	1.3
61.98828	7.9
69.03445	1.6
70.77262	4.1
71.01381	57.4
72.99300	5.6
73.02958	4.0
74.02486	2.2
78.91866	2.4
81.03466	2.1
83.01395	5.2
84.04573	2.9
85.02942	13.6
87.00871	6.0
88.98823	2.2
89.02442	79.0
95.01401	6.1
96.83927	1.6
96.96003	12.1
97.02972	3.1
101.02437	37.1
107.01382	3.6
109.02935	2.6
111.00873	3.2
113.02451	26.3
119.03506	36.4
120.27355	1.5
120.99628	1.6
121.03021	1.5
123.00853	14.0
123.04533	2.3
125.02463	16.4
127.08784	2.0
128.03543	3.2
129.01929	3.9
131.03499	3.5
135.04544	3.5
135.05519	2.2
139.00317	2.4
141.01974	1.9
143.03481	6.7
143.04642	7.6
149.02478	4.6
149.04599	4.4
151.00354	7.3
151.03978	2.0
153.05511	1.6
161.04529	6.3
164.04794	27.7
168.00578	1.6
169.01399	18.1
177.01884	3.6
179.05598	20.5
179.07138	39.0
180.07520	2.2
182.05852	3.1
197.08154	4.7
210.80634	1.5
211.10800	2.1
239.10295	4.7
257.11472	8.6
267.96924	2.0
300.99942	3.7
306.07687	10.3
359.13361	12.8
391.03159	4.5
401.08905	2.9
419.11768	62.5
419.16791	44.5
420.12268	4.8
420.17343	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	419.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99873	0.5
57.03448	6.3
58.00603	1.6
59.01376	100.0
59.46009	0.5
59.85791	0.6
60.01712	1.3
61.78673	0.6
61.98829	5.8
67.43273	0.5
71.01378	23.2
71.05038	0.7
71.60161	0.5
72.99310	2.2
73.02949	2.9
73.03316	0.5
81.48396	0.6
83.01397	1.8
83.31783	0.6
85.02937	5.6
87.00890	1.6
87.41702	0.5
89.02438	23.9
92.05099	0.6
95.01389	1.4
96.96018	2.4
97.06605	1.5
99.00861	1.2
99.04536	2.8
101.02445	15.1
108.02143	0.6
110.06160	0.5
113.02445	7.9
113.09736	1.3
117.05603	1.3
119.03487	9.5
120.04591	0.7
120.99636	0.8
121.02891	0.6
122.06115	1.2
123.04526	1.1
137.02490	1.4
139.07693	3.0
143.03471	0.7
147.03267	3.1
148.04028	2.7
150.05524	0.7
151.04071	0.6
153.05586	0.8
157.07417	1.4
157.08693	25.7
158.09036	1.0
161.04596	2.4
165.09190	1.1
175.02760	1.7
176.03532	2.9
177.01988	0.6
177.72704	0.6
179.05669	2.0
179.10616	0.6
191.05717	0.7
197.11880	2.0
199.08813	1.2
206.04529	1.2
212.10983	0.7
213.10645	0.7
215.11771	3.1
225.10382	1.3
227.04523	0.8
227.08199	1.2
227.11957	0.6
238.07448	1.1
240.09067	1.6
241.09880	2.3
243.07826	2.3
243.11409	1.3
253.09875	1.8
255.11514	1.8
256.09732	0.7
257.10175	0.9
265.06168	0.8
266.06891	2.7
269.05777	0.8
271.07443	0.7
271.10974	1.7
277.13245	0.8
279.10812	13.2
280.11139	0.8
281.09338	9.3
282.09741	1.0
284.07990	0.7
297.12323	0.9
299.10336	3.6
313.11823	0.9
319.13974	11.0
320.14386	0.9
325.08148	1.2
343.09348	1.4
357.10825	1.0
359.12778	1.1
359.17059	6.7
369.07211	0.9
375.12033	2.0
377.18036	10.0
377.22052	0.9
378.18500	0.8
382.97852	0.7
383.13605	1.3
387.08197	1.2
401.12674	1.5
401.17621	0.7
419.11105	32.2
419.19357	55.3
420.11078	2.8
420.19562	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	420.2752
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
61.67548	0.8
61.98816	2.1
67.15836	0.8
71.57589	1.3
93.03468	1.0
121.02949	100.0
122.03267	4.0
127.87035	2.9
134.96027	0.7
143.61603	0.7
152.75940	0.8
152.99812	0.8
159.67648	0.8
159.86002	4.9
176.82919	1.0
199.89139	0.8
309.61545	0.9
420.27524	69.3
421.27859	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	421.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88949	0.5
55.01875	1.3
59.01384	5.2
61.98832	1.2
65.02122	0.5
68.99835	1.2
71.01376	11.6
73.02942	3.5
75.00874	0.8
83.01376	2.5
83.58650	0.5
84.37759	0.5
85.02946	6.0
87.00893	0.7
89.02464	1.2
93.03457	35.8
94.03814	0.9
95.01390	5.6
96.96010	3.9
96.99326	1.9
97.02955	0.6
99.00870	1.3
101.02438	9.4
107.05038	0.6
108.02196	2.5
111.00899	0.6
113.02451	6.0
120.99650	1.4
121.02962	2.1
121.15889	0.5
123.00883	76.7
124.01667	47.1
124.02622	0.6
125.02434	1.0
135.04526	1.0
136.01671	4.6
137.02441	70.3
138.03241	26.0
138.69658	0.5
139.04012	28.1
140.04330	1.0
147.04547	1.3
149.02478	0.7
151.03995	1.4
161.04553	1.2
167.03564	0.5
179.03468	1.1
181.05072	0.9
191.03525	1.7
209.04637	0.7
221.04546	1.4
224.94058	0.5
238.26447	0.5
239.05626	1.2
259.06241	1.0
281.06653	65.9
282.06888	3.7
312.83011	0.6
345.10910	2.1
385.13040	0.7
421.11349	100.0
422.11548	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	21.3
71.01379	14.1
79.46289	4.2
79.78791	4.4
85.02943	4.5
87.67909	4.1
89.02429	11.2
96.96017	39.2
98.19893	7.6
101.02428	7.1
113.02428	6.5
127.32214	4.0
143.70750	4.2
155.10774	13.0
217.10765	8.5
259.11920	15.2
262.07159	4.0
301.12723	4.8
361.72232	4.5
421.16122	100.0
421.20819	14.7
421.24930	8.2
422.16376	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.61155	2.6
61.98828	5.9
63.58347	2.8
65.88507	3.1
68.76795	2.6
69.51433	16.7
69.51842	5.8
81.44426	3.1
93.94822	2.9
96.96018	10.3
103.44210	3.2
206.65939	2.9
208.07242	2.8
259.15393	3.3
302.84622	2.9
383.13333	3.4
421.16321	100.0
421.24677	5.6
422.16687	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74495	5.3
59.01378	75.9
61.98837	9.8
71.01382	19.5
71.60465	8.2
72.99265	7.5
73.02951	18.8
79.95730	7.1
85.02965	11.3
87.00877	6.5
89.02447	6.8
96.95977	42.4
99.00864	6.6
99.61323	5.6
101.02457	13.5
109.02933	8.0
109.76967	6.7
113.02438	15.4
120.99636	63.0
121.03008	11.0
124.01688	7.0
132.23180	6.4
137.02451	16.5
150.03256	12.6
158.06038	6.9
165.01924	12.9
171.10298	14.3
197.85780	6.5
201.09486	9.3
201.11317	54.3
210.03078	6.2
249.06131	16.2
283.76303	7.0
301.11923	7.5
345.10953	34.9
385.12964	28.4
389.09909	9.0
421.16251	100.0
421.24429	13.9
422.16623	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22731	9.2
59.01371	56.2
61.98826	100.0
63.19084	7.9
71.01371	16.7
74.99090	13.0
79.95746	10.0
80.37739	7.7
80.96564	7.1
89.02412	10.4
89.72985	7.8
91.76406	8.2
96.95989	18.7
98.19836	19.2
113.02438	11.4
120.99694	41.8
125.02441	18.7
148.75253	9.5
158.06087	19.6
165.01871	14.6
165.26230	8.3
172.91783	8.5
196.06119	13.1
255.10115	8.1
283.09775	17.5
311.09219	26.0
326.11588	27.9
341.13895	27.7
345.10501	10.0
358.11374	13.8
385.13071	16.6
404.04276	9.8
421.10840	42.0
421.16183	77.5
421.24136	9.7
422.16147	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52549	6.7
51.27470	7.1
54.41473	6.8
59.01373	24.7
61.98830	49.2
71.01364	9.7
85.47585	7.3
96.96024	40.0
98.20645	18.3
103.61549	7.6
103.96507	8.1
120.45505	7.7
127.29270	8.5
134.77455	7.4
205.20517	7.8
373.37473	7.8
421.16241	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.8
58.00594	0.9
58.02976	2.5
59.01375	18.4
61.98833	4.2
69.03445	1.2
69.69888	3.4
69.70295	1.4
70.02977	10.7
71.01376	7.6
71.05019	14.1
72.99312	1.0
73.02962	2.8
74.02458	0.9
79.95745	1.1
83.01369	1.4
85.02959	3.5
86.86707	0.8
87.00880	1.6
87.04530	1.9
87.05646	6.2
89.02452	5.6
89.02912	0.9
93.03465	1.1
96.96008	24.3
97.04048	1.0
97.06577	1.0
99.00913	1.6
99.04523	5.7
101.02435	4.3
101.06136	0.9
111.04498	1.0
113.02456	3.8
115.05145	2.4
115.07702	1.0
116.07159	1.8
119.03517	1.9
120.99682	1.4
121.03012	0.8
123.00876	1.5
123.04508	1.4
125.02445	1.9
128.03523	3.2
129.05571	1.8
130.03326	8.4
131.03476	0.9
137.02411	4.4
137.09761	1.2
143.04614	3.9
146.08218	76.9
147.05962	3.4
147.08615	2.0
149.02411	1.6
155.10796	3.5
159.03090	1.1
161.04581	1.3
164.04796	1.4
173.11900	1.0
175.00363	3.1
177.53456	0.8
182.00478	1.7
190.02721	12.9
197.05989	0.9
205.05031	16.0
210.08882	1.0
213.06665	1.1
214.06520	1.1
215.06970	2.0
217.12050	15.6
219.19469	0.9
223.06087	3.5
227.08296	1.5
241.05070	1.0
241.09827	3.0
247.06125	1.4
254.07747	1.1
255.11324	1.0
259.06113	1.0
259.11963	4.8
272.08859	1.5
277.12253	100.0
278.12564	6.7
283.10815	6.0
300.99881	2.4
306.07764	6.9
327.09729	4.7
335.05978	2.8
345.10876	1.7
361.18762	1.9
377.14105	1.4
385.11371	9.0
386.11496	1.1
403.11404	2.3
403.23141	2.7
421.11777	2.5
421.16763	8.0
421.25262	6.7
422.16345	1.2
422.24966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09847	0.3
52.55847	0.3
69.39744	0.3
69.50367	1.6
69.50777	0.8
80.91676	1.5
80.96507	0.7
92.09518	0.3
110.98540	0.5
119.58135	0.3
133.44923	0.3
163.11270	100.0
164.11581	5.2
185.02190	0.9
249.31631	0.3
315.19681	0.3
339.23233	70.4
340.23615	7.4
379.21243	0.9
421.22406	2.2
422.22598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91870	0.8
55.01869	1.2
58.99603	9.1
59.01104	1.1
59.01377	14.5
61.98825	65.0
67.39700	0.7
70.24169	2.6
70.24530	1.0
71.01380	10.4
71.01978	0.9
72.99305	1.9
73.02937	2.9
78.91879	0.9
80.91659	2.5
82.25595	0.8
83.01386	0.9
84.04546	1.8
85.02948	4.8
87.00857	7.7
88.04027	1.7
89.02437	7.7
95.01382	1.5
96.96005	10.3
97.01702	1.1
99.00871	1.6
101.02444	8.5
102.98591	48.2
109.02919	1.6
110.79391	0.9
111.00876	1.2
112.04034	13.7
113.02444	5.3
113.30561	0.7
119.03490	3.4
120.99647	100.0
122.00037	1.8
123.00919	1.2
125.02422	2.8
126.05592	3.6
130.05153	1.5
135.04510	2.9
136.04823	2.2
137.02383	1.4
138.05539	2.3
143.03467	1.6
151.04024	1.1
153.01903	0.8
153.80803	0.8
161.02448	0.7
161.04568	4.2
163.04013	1.0
165.01927	0.9
169.01399	3.5
172.04410	1.2
179.03429	3.4
179.05547	1.1
180.03859	2.9
193.03604	4.7
193.53770	0.7
195.06519	1.5
201.11363	0.9
225.07635	1.5
245.00850	1.6
249.06155	3.9
279.10822	2.6
283.04895	35.8
284.05362	1.6
363.16473	2.5
382.05579	0.8
422.13483	1.4
423.09415	7.0
423.17990	1.8
438.38269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02882	1.2
55.59096	1.5
57.03433	2.2
58.02962	5.5
59.01106	2.6
59.01378	43.3
61.98824	11.3
67.74198	1.4
70.34184	4.7
71.01377	15.0
72.99300	1.9
73.02943	3.2
74.02475	14.7
74.99072	2.1
75.00880	1.4
82.02985	2.0
83.05024	2.6
85.02953	3.0
86.02476	7.3
87.00881	1.5
87.05643	2.8
89.02437	11.9
90.00176	1.8
93.03422	2.3
96.96011	7.4
99.00926	1.4
99.05640	14.3
101.02448	10.1
101.06050	2.6
101.07158	1.6
102.05563	2.5
112.57851	1.5
113.02436	6.3
119.03491	5.7
123.00909	2.0
123.05647	2.1
125.02446	7.0
126.23267	1.3
127.05117	1.9
128.03528	34.9
137.02457	4.5
138.05505	1.7
141.06711	4.5
143.04610	53.7
145.05031	5.6
145.06094	2.1
146.04558	5.2
149.02406	4.4
150.03223	4.9
153.06662	3.0
160.00735	13.6
161.04533	1.7
165.05557	6.4
166.02666	2.2
166.09807	2.0
167.04546	4.7
167.08260	2.9
170.89073	1.4
177.01942	2.8
177.03354	5.0
179.04475	8.4
180.04202	1.5
181.04974	2.2
192.04202	6.9
195.06514	3.6
207.06602	22.4
210.08755	9.3
254.07788	12.8
272.08838	19.4
288.06635	9.2
306.07623	100.0
307.07944	6.3
331.11877	3.9
387.12714	3.2
404.14874	2.1
423.09360	2.2
423.18491	4.3
423.26410	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	422.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00882	1.2
57.01177	1.4
57.03450	2.0
57.61996	1.1
58.02975	6.0
59.01376	82.7
61.98823	12.2
62.55702	1.2
64.56387	1.3
69.97833	1.1
70.02969	1.6
70.98686	2.8
71.01385	13.7
72.00874	1.5
73.02935	4.1
74.02464	20.1
74.22108	1.1
76.89551	1.3
79.95738	3.4
82.02981	2.7
83.01356	2.5
83.05003	2.1
85.02946	4.8
86.02455	6.1
87.00858	2.2
87.05634	3.3
89.02440	12.2
93.03481	1.3
96.96007	20.7
97.02925	2.1
97.04073	1.5
99.05623	11.1
101.02430	10.3
101.06077	5.8
101.07181	3.5
102.05595	1.8
109.02995	2.1
109.04034	2.3
112.04053	2.8
113.02440	5.6
113.03148	1.1
115.03955	1.2
119.03484	4.4
120.99625	2.4
121.02996	1.3
124.04005	1.3
125.02412	9.4
125.03384	2.0
127.04063	1.5
127.05159	3.2
128.03531	38.0
131.04523	1.3
134.03752	2.0
135.04552	2.1
135.05637	4.0
136.97154	1.2
137.02405	5.2
138.33768	1.3
141.06708	3.8
143.04616	51.6
145.05037	10.3
145.06194	3.5
146.04552	5.4
149.02432	2.5
149.06036	1.3
150.03114	2.0
153.06627	3.2
155.08195	1.4
160.00726	13.9
160.66061	1.2
161.02414	1.5
161.04446	1.9
163.06133	1.5
163.86130	1.2
165.05510	3.1
166.09947	1.7
167.04605	3.5
167.08313	2.7
169.01437	1.8
177.01886	1.6
177.03352	5.0
179.03310	1.8
179.04579	9.6
181.05032	1.8
182.00346	1.8
185.05678	1.8
195.06615	1.3
197.05647	2.2
205.05057	1.9
210.08830	9.0
210.10458	1.3
218.11343	1.3
227.03349	2.0
228.03888	4.1
244.10536	1.3
254.07771	12.1
260.12134	1.8
260.15866	1.3
267.07199	1.6
271.06152	1.9
272.03033	2.0
272.08810	20.6
282.42938	1.2
285.04010	1.8
286.08228	2.7
288.06516	5.2
295.10278	2.2
301.10822	3.3
305.12189	4.2
306.07639	100.0
307.07922	5.2
316.09000	2.1
335.05731	3.0
360.07993	2.9
378.09143	3.0
404.09967	1.4
404.14786	4.1
422.08011	2.8
423.07809	2.7
423.14664	5.5
423.18668	4.5
423.26218	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	423.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96334	0.9
55.01861	1.2
56.54873	1.2
57.03449	1.5
59.01375	15.7
61.98822	5.8
71.01375	12.5
71.61710	1.6
72.99284	1.3
73.02930	5.1
79.95723	4.3
80.96528	1.2
83.01369	1.2
85.02955	4.6
87.00878	1.9
89.02442	4.4
95.01398	1.1
96.96007	100.0
99.00863	1.7
101.02420	10.2
109.02924	2.3
113.02441	4.5
119.03505	1.1
123.04529	2.1
125.02444	4.0
131.03525	6.1
137.02406	3.0
142.06606	2.0
151.03902	1.2
159.02950	1.5
161.04538	4.7
161.44701	1.1
200.01221	1.5
201.09229	1.6
217.26854	1.1
219.31332	1.2
254.99344	7.3
257.00824	1.5
267.99936	1.2
269.00922	2.2
270.01395	1.2
282.98816	19.1
283.99048	1.5
285.00385	13.9
288.66476	1.1
289.07220	3.3
291.18109	17.7
297.97754	2.2
298.01141	23.9
299.01791	4.4
299.99017	2.3
312.99942	35.4
313.03485	7.1
314.00189	2.3
326.97961	1.6
327.01437	2.7
327.98544	17.0
328.02234	42.5
329.02493	3.8
343.00787	20.0
343.04572	99.7
344.01218	2.2
344.04858	9.7
378.04382	1.1
385.12854	4.7
387.14285	2.1
423.00867	2.4
423.16397	1.8
423.21677	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	423.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.21659	0.4
57.01912	0.4
57.03445	0.7
59.01375	8.4
61.74599	0.4
61.98823	4.6
63.13195	0.3
67.01894	0.9
68.68754	0.3
68.99805	0.6
69.03435	0.9
71.01377	8.5
71.59696	0.7
72.64814	0.3
72.99301	0.7
73.02952	2.0
75.00862	0.6
78.07464	0.4
79.01901	0.9
79.95751	0.7
81.03466	0.7
83.01383	1.5
83.04996	0.4
85.02958	3.6
87.00883	0.8
87.04481	0.4
89.02424	3.3
93.03495	0.4
95.01400	3.2
96.96016	2.0
97.02950	1.1
99.00864	1.1
100.02557	0.3
101.02437	5.0
101.06081	0.5
107.01383	5.3
108.02178	6.1
109.02220	0.7
109.02953	13.1
111.00882	2.2
113.02433	3.8
119.03511	0.8
121.02848	0.5
122.99992	0.7
123.00880	12.7
123.04527	0.8
124.01707	0.8
125.02443	31.3
126.02782	0.8
127.00368	0.9
135.04532	0.5
136.01671	0.5
136.98804	1.4
137.02431	1.2
139.00378	4.7
140.01141	4.0
141.01897	1.6
143.03476	0.5
145.05043	1.1
149.02432	0.8
151.00349	8.5
151.04004	1.6
153.01897	0.7
161.02493	0.5
161.04562	0.7
163.04024	0.9
165.01941	0.7
165.05569	0.7
166.99614	0.4
168.00636	4.3
169.01418	42.0
169.64763	0.5
170.01735	1.4
179.03421	0.9
179.05621	0.4
180.04269	0.9
187.57930	0.4
189.01917	0.6
195.02930	0.4
195.06598	1.2
197.08101	0.7
211.02480	0.9
223.02504	0.7
225.07645	0.8
241.03427	0.6
245.00938	1.1
246.01671	0.5
261.04230	0.6
271.06088	0.8
284.67532	0.4
297.06131	0.8
301.10748	1.1
309.11899	0.4
313.05624	8.6
314.05862	0.8
347.08578	0.4
363.16623	3.1
387.12869	0.5
408.06882	0.5
423.09326	100.0
424.09592	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.093
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
55.01880	0.6
57.03440	0.4
59.01374	2.7
61.98824	0.5
63.45712	0.3
67.01895	1.1
68.99828	0.3
69.03456	0.6
70.59889	0.6
70.60244	0.9
71.01373	6.0
72.63507	0.3
72.99318	0.7
73.02942	1.6
79.01897	0.9
81.03444	0.4
83.01385	1.3
85.02942	3.2
87.00874	0.6
89.02431	0.9
95.01377	2.3
97.02946	1.0
99.00865	0.6
101.02435	3.1
107.01385	6.0
108.02171	6.8
109.02950	16.3
110.00118	0.3
110.03279	0.5
111.00872	2.3
113.02457	2.6
123.00880	14.0
123.04569	0.4
124.01685	1.4
125.02441	32.9
126.02802	0.9
127.00383	0.6
136.98814	1.6
137.02441	0.6
139.00368	5.8
140.01184	3.4
141.01913	1.5
151.00359	11.0
151.03976	0.4
153.01889	0.4
154.99840	0.3
157.53748	0.3
161.04599	0.5
163.03951	0.4
165.01799	0.4
168.00616	3.7
169.01413	43.9
170.01744	1.8
179.03355	0.3
200.81387	0.3
211.02475	1.3
222.81920	0.3
223.02463	0.6
241.03477	0.5
253.03552	1.0
297.06201	0.5
313.05627	7.7
314.05948	0.6
423.09286	100.0
424.09631	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1118
Annotation	Shogasulfonic acid B
Peak:m/z	Relative Intensity
52.71887	0.3
55.06654	0.3
58.92498	0.3
59.01368	0.9
70.19081	0.5
70.19420	0.3
70.49474	0.8
70.49800	0.4
71.01373	1.0
73.02952	0.4
77.42057	0.3
79.95734	47.9
80.96516	3.5
85.02947	0.7
86.30396	0.3
93.03455	0.6
96.96014	0.5
101.02453	0.9
109.02929	2.5
121.02943	7.7
122.03741	6.7
123.04540	2.9
124.01682	0.6
129.57376	0.3
134.10783	0.3
135.04495	1.5
136.05289	0.8
137.02449	1.1
147.04442	0.4
149.06050	0.7
154.02715	0.4
160.89088	0.3
161.04649	0.5
161.06070	1.7
163.04016	1.4
173.06107	0.7
177.01889	0.5
177.05592	0.4
185.52252	0.3
190.06357	1.6
191.07120	4.0
203.07133	0.8
260.78607	0.4
291.18103	1.2
299.12839	0.9
312.99902	0.5
313.10748	2.4
327.12280	0.8
328.13132	30.0
329.13504	3.1
343.04486	0.9
343.15457	37.5
344.15796	4.1
393.73166	0.4
408.08728	1.0
423.11172	100.0
424.11478	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	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.6
61.98827	9.3
70.04745	12.2
75.68771	3.4
75.96473	2.9
76.29410	2.8
94.89021	3.1
96.95956	4.1
98.19819	3.3
120.99648	10.0
165.05559	5.6
167.07108	7.7
201.41608	3.5
313.12991	20.3
377.80920	3.6
387.16412	23.1
423.17899	100.0
424.18207	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	423.1788
Annotation	WF 10129
Peak:m/z	Relative Intensity
50.02950	7.8
59.01359	26.2
61.98819	8.4
69.52452	27.3
69.52885	25.5
71.85163	7.1
77.95022	7.0
84.80743	8.3
96.95968	7.4
124.12856	7.2
139.04448	8.3
184.20476	9.3
190.06389	7.5
253.65036	6.8
285.11658	7.7
364.35468	8.2
423.17792	100.0
424.18237	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	425.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01379	7.7
61.98833	3.5
65.67033	0.4
71.01372	4.9
71.13620	0.5
71.13931	0.6
72.99299	0.9
73.01183	0.5
73.02947	1.6
74.99089	1.2
75.00857	1.2
78.95919	0.7
79.95729	3.1
80.96496	1.6
83.01395	1.2
85.02934	3.1
87.00883	2.4
88.98807	0.9
89.02430	3.3
95.05047	0.5
96.96006	100.0
97.02919	0.6
99.00870	0.6
99.04462	0.4
101.02440	4.4
107.04974	0.6
109.02930	1.7
113.02444	2.8
117.97314	0.4
119.03460	0.6
123.04507	1.0
124.01669	4.8
125.02436	2.2
127.33541	0.4
129.05577	0.6
131.03487	1.4
133.05051	0.7
137.02449	1.7
138.03075	0.5
139.03998	2.6
143.03534	0.7
145.03018	0.5
149.02490	0.6
150.97072	0.6
151.04025	2.0
161.02437	0.5
161.04550	2.0
163.04004	0.9
165.01933	0.6
166.02740	0.8
166.96483	0.7
168.00626	8.5
169.01233	0.9
170.56891	0.4
175.03998	1.5
177.01894	0.6
179.05591	0.8
181.05083	0.9
183.02962	14.7
184.03221	0.5
187.04025	1.4
222.99042	0.9
233.10268	2.8
241.00215	80.2
242.00500	2.6
245.08528	1.0
249.06142	0.8
255.02982	1.5
256.03653	0.9
257.04507	0.5
273.04065	0.6
299.04626	0.5
339.08734	0.8
343.10416	0.5
345.08200	1.5
365.14355	1.1
365.18121	1.6
389.10739	2.6
407.07617	6.8
408.07855	0.8
425.03912	50.5
425.15894	2.4
426.04422	4.9
426.09775	0.5
437.62070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0909
Annotation	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Peak:m/z	Relative Intensity
59.01376	7.1
59.81566	0.5
61.98811	1.5
65.59312	0.5
69.97746	1.9
69.98161	0.8
71.01353	1.7
73.71527	0.5
79.95738	5.6
80.96488	1.3
90.54707	0.5
91.66287	0.5
92.74479	0.5
96.96005	6.8
99.92638	0.6
108.02165	0.8
109.02908	1.1
113.02429	0.8
120.99594	1.7
121.02970	4.6
123.04514	0.6
134.03712	0.5
135.04538	0.6
137.02422	0.7
145.02913	1.6
146.03667	0.9
147.04515	1.3
149.06032	1.2
165.01775	0.5
166.06369	0.9
167.07118	3.0
169.01390	0.8
173.40637	0.5
178.06320	0.6
179.07074	2.1
191.07088	0.9
203.12878	4.1
211.07567	0.8
225.05504	0.9
227.07141	2.2
232.32193	0.5
237.05576	1.4
240.04300	1.5
241.04903	1.5
241.91902	0.5
250.82468	0.6
251.07207	1.5
253.04932	1.2
253.64319	0.5
255.06610	13.9
256.07050	1.3
256.11105	2.6
257.11292	0.6
266.09378	0.6
267.06586	2.0
267.10205	0.8
269.08173	9.3
270.08749	1.6
282.08887	1.5
283.09647	5.0
284.10413	3.8
285.11093	0.8
295.09729	3.1
296.10507	5.8
297.11157	1.8
298.08365	0.7
299.09210	4.5
300.09998	57.1
301.10385	4.6
310.08365	2.4
311.09216	10.4
312.10019	16.7
313.10666	2.9
315.12357	100.0
316.12656	8.6
327.12332	21.6
328.12634	1.6
345.13525	1.1
365.21796	1.8
395.08026	34.3
396.08408	3.6
407.08240	2.6
425.09091	67.4
425.18652	4.2
426.09439	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	425.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
57.62374	1.3
59.01377	24.7
60.01701	1.3
61.98828	11.7
71.01380	15.9
71.59914	2.0
72.00903	20.3
72.99313	2.5
73.02957	2.8
74.99089	2.1
75.00858	1.5
75.44368	1.4
79.95715	2.9
82.95428	2.1
83.01376	7.1
83.05019	2.2
85.02955	6.3
87.00867	2.5
89.02434	10.8
95.01373	2.1
96.96005	18.7
97.02954	3.6
99.00880	1.9
100.00401	85.5
100.04032	6.2
101.02438	12.1
107.05027	5.7
109.02958	16.6
113.02449	6.5
119.03471	2.3
120.99702	1.9
121.02953	3.3
123.00902	1.6
123.04542	12.8
124.01649	1.9
125.02435	19.9
131.05040	3.1
133.02962	3.9
135.04533	3.9
136.01692	1.8
136.07765	2.6
137.02423	22.2
138.05614	2.7
138.62050	1.4
139.04016	2.4
141.01970	1.6
144.03018	100.0
145.03242	2.0
147.04555	1.7
149.02412	6.9
149.06113	1.6
150.03223	2.3
151.03993	25.2
152.01132	5.3
159.04535	4.2
161.02434	4.3
161.04567	3.4
163.03992	5.6
165.01967	7.9
166.02716	8.6
167.03465	12.4
169.01405	2.8
175.03981	20.4
177.01906	18.6
179.03452	1.7
179.05696	1.6
179.07141	3.8
180.04271	2.1
181.05031	11.8
186.31857	1.3
187.03993	11.3
189.01932	1.7
189.05505	3.0
192.04320	7.0
193.05051	3.8
199.04080	1.7
200.77870	1.5
203.06960	1.7
207.06612	22.8
211.04066	3.5
213.05597	2.8
214.02800	2.3
215.03455	2.1
217.05028	3.4
227.03455	3.0
228.04382	3.0
229.05040	6.0
231.06506	1.9
243.02965	3.8
247.06102	1.9
253.05032	2.2
255.02994	16.7
255.06468	3.8
256.03714	8.0
257.04471	5.3
269.08255	2.8
273.03973	8.3
281.04556	6.3
283.02332	2.6
284.03079	1.3
285.04083	5.0
293.10364	1.6
293.16068	6.4
296.59244	1.4
297.04068	1.9
299.99103	2.3
300.09967	14.0
300.99930	2.8
311.09241	2.5
312.09927	2.8
315.08896	1.4
315.12326	22.1
319.12830	1.8
327.12253	4.4
327.26007	1.6
339.08670	11.8
365.17801	7.0
381.09674	4.8
387.12723	3.2
395.07849	9.1
407.07687	91.5
408.07916	9.1
425.08963	28.4
425.15097	3.8
425.19940	5.6
426.09311	2.6
442.14136	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	425.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66165	4.6
58.99589	6.4
59.01375	84.2
61.98829	97.0
63.55688	5.6
69.58532	18.6
69.58958	13.3
71.01376	31.4
73.02934	9.3
79.95731	5.4
83.01378	9.4
85.02934	15.1
89.02436	21.8
95.01368	6.3
96.96008	41.7
97.02943	10.7
98.20551	9.9
99.00853	6.3
101.02431	17.4
101.06060	10.2
102.98575	13.1
107.01385	6.1
109.02939	12.9
113.02434	17.6
120.99624	16.0
121.03006	6.7
123.00899	6.7
123.04455	6.1
124.01662	9.1
125.02441	48.3
134.03699	10.2
135.04520	11.1
137.02419	10.6
139.04013	12.5
141.01889	9.0
149.02478	7.1
149.06065	17.7
150.03210	20.1
151.00282	6.7
151.03966	21.2
161.02449	6.1
161.04613	7.3
165.05510	8.9
169.01428	45.0
175.03969	5.9
177.01924	12.2
183.87347	5.0
190.76762	5.6
197.04500	9.1
211.02452	23.7
227.57382	6.0
255.06508	15.4
256.10944	5.5
269.08197	6.9
270.98834	7.2
271.04617	15.2
273.51523	5.7
275.01703	5.3
293.16187	9.4
298.98193	17.9
299.99057	65.6
300.09964	42.0
300.99762	37.1
311.09164	8.9
312.10031	17.8
313.05722	6.3
315.12350	85.6
327.12271	12.6
363.11914	8.6
395.08105	33.2
425.01889	9.4
425.09775	100.0
425.19855	50.6
426.10419	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	425.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	29.8
61.98812	10.6
71.14640	14.0
71.14997	11.0
73.02917	11.1
78.77065	7.2
79.95740	9.5
84.96128	8.5
95.01334	8.4
96.95995	39.8
101.02425	11.2
134.94547	7.8
140.36378	8.7
177.01820	11.6
251.43626	8.8
323.61292	8.9
376.02356	12.5
425.09222	19.8
425.18893	100.0
426.19037	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	425.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	16.9
68.12963	3.4
70.44991	9.3
71.01376	16.7
73.02942	7.6
79.95724	6.9
83.01370	6.3
85.02943	8.3
89.02447	6.9
93.03429	5.1
96.96011	51.4
97.02901	4.2
99.00868	4.3
100.25559	3.9
101.02436	6.7
106.48830	3.4
109.02946	12.8
113.02451	9.1
113.06071	14.1
118.17435	3.4
119.05066	4.6
122.03746	23.3
123.04514	33.6
125.02430	10.4
131.37987	3.7
135.04538	5.4
137.02452	18.1
143.57570	3.7
151.04019	7.5
161.02348	5.4
161.04575	5.2
161.06030	4.0
165.01938	4.6
172.69263	3.8
205.05060	5.0
225.05600	16.7
286.98199	9.5
289.07147	11.6
314.97827	8.6
317.17590	5.0
330.00198	18.9
339.59283	5.4
345.02551	27.1
348.25500	3.4
367.00159	4.2
398.84134	4.6
403.13135	9.2
403.63040	3.9
425.12814	19.3
425.19321	100.0
425.62842	9.1
426.19626	10.7
430.61240	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	425.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66285	3.1
57.03450	4.5
59.01377	20.4
59.13277	2.9
60.50601	3.1
61.98828	6.4
69.48045	2.7
69.48338	24.3
71.01385	12.6
73.02946	4.6
79.95737	5.6
81.76736	3.3
83.01385	6.6
85.02972	6.5
95.04990	4.1
96.96007	33.0
99.00858	4.1
101.02450	9.6
109.02923	7.3
113.02461	8.9
121.02917	4.3
122.03773	3.8
123.04473	8.7
125.02409	5.3
134.03709	8.2
135.04539	4.2
137.02454	8.9
145.02911	6.2
149.06113	7.8
151.03989	4.2
155.10698	3.8
161.02470	3.8
161.04608	6.3
161.06143	5.1
165.01944	5.2
175.96747	38.8
176.97061	21.8
177.96437	90.0
179.07158	7.6
217.97711	28.5
218.98157	25.2
219.97501	100.0
247.88165	3.4
286.98581	4.6
289.07153	18.0
299.98663	4.1
306.40518	3.5
314.97815	21.9
315.09033	3.4
330.00027	22.2
345.02451	31.9
345.06104	5.1
425.08704	9.5
425.18878	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	425.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62608	0.7
66.54051	0.7
67.54630	0.8
70.96407	0.8
70.96719	1.2
77.53436	0.7
83.67046	0.8
85.73668	0.7
101.10018	0.8
103.12607	0.6
138.77037	0.7
154.70781	0.6
236.23056	0.8
255.99615	0.9
257.00818	0.8
257.03992	0.7
258.01135	1.0
260.01968	0.7
269.98059	2.7
270.98315	6.1
271.00671	0.7
271.98608	1.6
272.99011	1.4
274.57581	0.8
285.00314	2.8
286.00690	9.9
287.00903	2.3
288.01144	3.6
297.97510	7.4
298.97852	32.0
299.98093	7.0
300.98273	14.3
312.99854	9.5
314.00189	52.1
315.00452	9.9
316.00641	21.9
317.00797	1.0
328.02109	5.6
329.02530	59.1
330.02750	11.2
331.03000	25.0
331.06979	1.4
343.04370	3.4
344.04880	100.0
345.05157	11.1
346.05356	44.3
347.05643	2.1
426.00433	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	426.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95118	1.1
55.01874	1.7
57.03430	1.2
59.01380	21.9
61.98825	8.8
65.62225	1.5
71.01385	14.2
71.59811	1.4
73.02957	3.3
80.10130	1.2
83.01370	2.4
85.02955	5.3
86.06110	19.9
87.00864	2.2
89.02448	7.3
91.05526	2.1
96.96012	8.0
101.02420	9.0
109.02975	2.8
110.06136	2.3
113.02415	4.8
116.07156	4.4
117.48809	1.7
119.05047	2.3
125.02434	2.4
129.83420	1.2
135.04547	2.7
137.02394	1.8
147.04475	8.5
164.07159	4.4
179.03534	2.4
189.74649	1.2
202.12431	1.7
220.13380	1.8
234.11391	2.6
243.96758	2.0
246.11398	3.5
264.12250	1.7
289.07117	1.6
425.62750	2.3
426.17722	100.0
427.12170	2.2
427.18170	9.9
450.67352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75247	0.4
51.29533	0.4
51.93296	0.4
59.01370	2.3
61.98828	0.6
71.01373	0.9
71.35644	1.0
79.95732	19.8
80.96520	2.7
85.02924	0.6
93.03411	0.5
96.95981	1.6
108.02152	1.3
109.02964	2.5
111.04552	0.5
121.02147	0.4
121.02936	2.1
122.03736	24.0
123.04552	3.3
124.01622	1.1
134.03752	1.1
135.04512	2.9
135.92993	0.4
136.05283	0.6
137.02451	2.9
139.04018	0.6
145.02988	0.6
147.04506	4.9
148.00995	0.4
148.05226	0.8
149.06061	0.5
153.01906	0.5
154.02679	1.8
161.02467	1.1
161.06067	1.5
162.06783	1.3
163.03963	0.9
163.07666	1.2
165.05554	22.5
166.05870	1.6
175.07614	1.1
178.06340	1.3
179.07137	4.5
185.00896	0.5
191.07062	1.0
193.08763	0.5
209.08176	2.0
237.53687	0.4
263.08914	0.5
284.10391	0.9
294.72214	0.4
299.12802	1.7
301.10803	0.7
315.12241	1.2
317.14041	1.4
332.12720	3.6
347.14960	70.3
348.15305	6.7
427.10617	100.0
428.10922	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	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
57.03430	3.0
58.00589	1.2
59.01377	92.8
60.01696	1.6
61.98828	4.7
69.03474	0.9
71.01376	27.6
72.99301	2.0
73.02938	12.8
74.99094	1.1
75.00881	1.0
83.01382	8.1
85.02950	18.6
87.00882	1.3
89.02438	11.2
93.03447	1.1
95.01383	2.3
96.95995	3.9
97.02955	1.5
98.20674	2.0
99.00876	6.0
101.02433	35.1
107.75404	0.9
111.00880	1.9
111.03119	0.9
113.02438	14.8
119.03462	2.5
120.99687	1.4
125.02436	4.1
131.03494	46.9
135.04422	1.2
136.99130	0.9
137.02457	2.0
143.03450	1.9
147.06627	2.6
159.02975	2.8
161.04533	13.8
163.03984	1.1
169.01366	4.5
182.91432	0.9
211.02487	3.1
235.11845	100.0
236.12245	4.9
248.09171	1.2
251.11353	3.0
265.07013	1.3
271.04581	4.3
364.01880	1.0
367.15973	33.8
367.19855	3.5
368.16360	3.0
389.10797	5.7
391.15909	1.2
427.08279	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	427.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58957	13.8
54.30482	13.7
59.01383	100.0
60.67186	14.9
71.59351	13.1
74.85651	14.1
82.24169	14.4
163.02867	14.2
168.08081	14.1
348.29996	16.1
353.52322	15.3
415.81030	16.5
427.27576	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60638	0.5
57.03450	1.7
59.01377	28.6
60.01708	0.7
60.03598	0.6
65.83527	0.6
66.92400	0.6
69.03454	0.8
69.60439	3.9
70.61665	0.5
71.01379	5.0
72.00911	2.9
73.02970	1.0
75.00883	0.7
79.95734	11.0
80.96520	2.7
85.02949	1.4
87.00852	0.9
89.02435	3.2
93.03453	1.6
95.01385	1.0
96.95985	3.3
98.20628	0.9
99.00899	1.0
99.04530	1.0
100.00412	13.6
101.02438	3.3
102.98596	1.8
109.02957	1.7
113.02478	2.8
116.05074	7.8
117.03479	4.8
119.03601	1.2
119.05024	50.8
120.05364	2.6
125.02441	0.9
130.06618	3.3
139.07756	0.7
142.06619	22.1
143.06952	1.4
145.02951	30.8
146.03314	1.3
146.06099	2.2
147.04509	1.0
148.07721	0.6
153.01941	5.4
157.07706	15.4
158.08043	1.3
159.09280	5.8
161.04623	1.0
162.05577	1.9
176.07155	3.5
181.07715	1.3
185.07173	1.0
186.05609	10.2
187.06059	0.9
196.00754	2.0
203.08247	1.9
220.06111	1.2
223.13297	1.0
229.06180	15.3
230.06448	1.2
237.03380	12.4
238.03804	0.7
239.05035	1.1
267.07233	2.0
267.12253	1.0
283.03699	0.8
305.12915	10.0
306.13275	1.3
327.05063	0.7
349.11960	5.3
350.12256	0.7
385.08636	7.1
386.08807	0.7
429.07605	100.0
429.21133	4.3
430.07913	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	429.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21724	0.5
57.03441	1.4
59.01375	31.0
60.72911	0.6
63.96251	0.6
69.03476	0.7
69.25470	6.4
70.35285	0.6
71.01373	5.3
72.00893	3.6
72.99294	0.9
73.02938	1.5
73.04356	0.6
75.00844	1.4
79.95731	10.2
80.96520	1.8
85.02939	1.9
87.00864	0.9
87.26424	0.5
89.02438	3.8
93.03445	1.4
93.44218	0.6
96.96018	2.9
97.55658	0.7
98.18894	0.6
98.19886	1.1
99.00876	0.9
99.04507	1.9
99.51865	0.8
100.00396	14.7
101.02461	3.0
102.98592	2.3
109.02950	1.6
113.02445	2.9
116.05058	8.6
117.03459	5.8
119.03534	1.9
119.05021	50.6
120.05359	2.0
130.06618	2.3
135.00854	0.9
142.06627	19.7
143.07013	0.8
145.02950	31.3
146.03294	0.7
146.06113	1.2
147.04529	1.5
153.01941	5.8
157.06476	1.3
157.07692	14.2
158.08064	0.9
159.09277	6.0
161.04749	0.8
162.05569	1.4
176.07161	2.2
181.07722	1.2
185.07170	1.5
186.05595	11.2
196.00699	1.8
203.08238	1.6
210.02257	0.8
215.04254	0.9
222.02341	1.0
223.13353	0.9
229.06143	12.3
230.06343	0.8
237.03374	12.7
239.04846	1.4
249.06027	1.0
267.07208	1.7
267.12289	1.1
273.04083	0.8
305.12958	9.1
349.11853	5.0
358.23236	0.7
363.67032	0.7
385.08643	5.8
416.06567	0.7
418.14285	0.7
429.07568	100.0
429.21478	3.6
430.07852	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	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42201	0.5
53.88034	0.5
57.03431	0.8
58.10308	0.6
59.01378	17.2
61.98560	0.5
61.98827	5.5
67.01878	1.1
69.03442	0.8
70.45988	1.6
71.01377	9.0
72.99287	1.5
73.02927	2.3
74.99078	0.7
75.00861	1.9
78.95876	0.6
79.01877	1.4
83.01355	1.3
85.02942	5.8
85.91608	0.4
87.00870	1.8
89.02434	5.0
93.03451	3.2
95.01392	2.9
96.96008	7.0
96.99415	0.5
97.02948	1.1
99.00867	1.3
101.02435	4.6
102.02731	0.5
107.01389	5.1
108.02137	0.8
108.04518	0.5
111.00887	2.9
113.02444	6.6
115.04000	12.8
117.03469	1.0
117.52464	0.5
118.98049	1.6
119.03511	1.3
120.99706	0.5
121.02963	0.8
123.00879	14.5
123.04494	1.2
124.01704	1.2
125.02441	17.8
127.00368	0.8
135.04527	11.3
136.01675	0.7
136.98773	1.0
137.02448	6.9
139.00377	6.2
139.03810	0.5
140.01193	2.6
141.01903	1.9
151.00365	12.0
151.03957	1.0
152.98586	2.0
153.01938	1.3
160.05305	0.8
161.02438	1.0
161.04570	0.7
163.03944	0.8
168.00684	4.0
169.01405	25.4
170.01770	0.9
179.03432	1.4
181.05026	1.1
193.01228	0.6
195.06602	5.5
209.04514	0.8
211.02438	2.6
227.98212	0.5
248.09256	0.5
267.07166	14.6
268.07568	0.6
271.04523	4.1
277.09259	0.9
292.39038	0.6
293.08731	0.9
299.07645	0.6
309.09927	0.8
313.05548	2.1
349.05942	6.3
385.11337	1.3
391.11200	1.0
429.10248	100.0
430.10461	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	429.1035
Annotation	Bispyribac
Peak:m/z	Relative Intensity
55.01867	1.7
57.03438	2.1
59.01376	11.3
61.98811	3.4
67.01870	1.4
68.37960	0.8
68.99703	0.8
69.03458	1.3
69.48515	7.0
71.01379	15.8
72.99286	1.9
73.02934	5.5
75.00872	1.0
79.01871	1.2
83.01369	2.4
85.02941	6.8
87.00859	3.3
89.02430	3.2
90.26874	1.0
93.03453	15.0
95.01376	3.8
96.96001	3.5
97.02958	1.0
98.19919	1.7
99.00871	2.6
101.02422	9.4
107.01367	3.7
108.02184	0.8
109.02934	4.0
111.00861	2.9
112.36333	0.8
113.02450	6.9
115.03992	2.7
119.03435	1.2
123.00882	14.8
123.04504	1.3
124.01672	2.1
125.02436	23.4
126.02743	1.1
129.01915	1.3
131.03474	1.5
135.04532	1.3
136.01648	6.3
136.98798	2.1
137.02440	41.3
138.02824	1.3
139.00363	6.7
140.01122	3.4
141.01918	2.8
149.02449	1.2
151.00360	10.1
151.03987	2.9
152.01067	1.2
153.01886	6.0
161.04494	2.1
163.03931	1.0
168.00603	3.4
169.01414	29.4
177.04028	2.1
178.24840	0.9
179.03490	23.6
180.03590	0.9
186.40265	1.0
193.72057	0.9
202.89482	0.8
209.04521	4.7
211.02467	5.0
239.05580	17.0
271.04593	7.7
274.25131	1.0
277.09277	4.8
281.06567	1.5
297.06110	1.8
299.07672	4.8
313.05637	2.3
315.07269	1.0
385.06488	1.5
385.11337	22.1
386.11703	1.8
410.49310	1.1
411.09103	4.2
429.10275	100.0
430.10522	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	429.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42010	1.0
57.98845	1.0
59.01102	2.2
59.01380	28.5
61.98821	1.3
70.53965	1.0
71.01379	12.5
71.60394	1.2
73.02943	4.6
83.01378	2.7
83.20148	1.1
85.02944	3.6
87.00883	1.4
89.02466	6.3
93.03455	38.4
93.86726	1.1
94.03777	1.9
94.29732	1.1
95.01363	2.4
96.96001	2.3
99.00864	1.9
101.02448	6.5
101.93290	1.2
102.98615	1.1
107.05018	1.7
108.02144	2.3
113.02431	7.3
119.03499	2.2
120.54684	1.1
121.02990	1.5
123.04510	5.2
135.04527	5.7
136.01662	23.5
137.02440	100.0
138.02773	4.5
147.06599	1.3
149.02454	4.1
151.04018	9.2
153.05573	5.2
161.04582	3.2
164.03542	2.9
165.03845	2.0
179.03491	81.7
180.03783	3.7
207.11450	1.2
209.04538	18.2
239.05605	63.7
240.05930	2.7
257.38474	1.1
299.07526	7.5
309.11969	6.7
332.72461	1.2
340.74387	1.2
369.19226	3.4
391.96747	1.2
429.13931	81.2
430.14331	7.9
439.83737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.2
59.01376	100.0
66.91248	1.2
69.03440	1.8
71.01377	18.6
73.02944	3.7
78.95911	1.5
79.95730	1.3
83.01378	2.8
85.02961	6.4
87.00871	6.4
89.02439	14.8
89.20797	1.2
95.01416	1.4
96.95992	5.4
97.06592	6.5
101.02438	10.8
107.05016	15.8
113.02428	8.8
119.03518	4.5
120.05814	3.3
125.02434	1.5
135.04512	4.1
138.03226	1.7
141.05548	1.4
151.00368	1.7
152.04733	1.4
153.01915	6.6
153.05490	1.3
159.08153	1.6
161.04555	3.4
161.09732	10.0
161.13342	5.0
163.06102	1.2
163.11096	1.5
165.09158	2.1
179.05569	2.4
187.11261	18.8
189.09195	6.1
203.10808	3.5
205.12350	5.6
207.10278	3.3
223.13373	68.2
224.13705	4.8
229.12411	1.5
249.11194	8.1
267.12354	74.1
268.12659	5.0
309.13687	1.7
387.20197	1.7
429.08185	4.7
429.17422	9.5
448.52078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16270	0.2
54.74296	0.2
59.01371	0.8
69.35505	1.4
71.01357	0.2
72.34402	0.2
79.48248	0.2
86.83166	0.2
99.00877	0.4
99.92565	5.5
100.92708	0.2
100.93354	3.4
115.92065	100.0
116.92075	4.1
116.92855	6.1
117.92503	0.3
131.78339	0.1
132.92346	1.2
142.94456	0.2
155.95213	0.3
157.37849	0.2
172.95442	4.9
173.95491	0.3
255.23233	1.0
260.05249	0.2
347.88406	0.2
355.15768	0.5
371.15369	0.4
381.17328	0.8
411.18417	0.4
429.19467	5.8
429.33951	0.3
430.19614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03450	2.5
58.00593	0.8
58.48399	0.3
59.01376	100.0
59.81101	0.4
60.01715	0.8
60.98323	0.3
61.98821	0.6
66.19689	0.3
69.03465	0.7
69.31964	1.9
69.32390	1.1
71.01379	23.6
72.01742	0.4
72.99316	1.3
73.02943	17.6
74.96680	0.3
75.00884	0.6
81.03477	0.5
83.01381	6.8
85.02948	6.6
87.00876	2.4
87.04507	1.9
89.02443	11.9
93.03429	0.5
95.01389	1.7
96.96027	0.9
97.02969	0.8
99.00867	1.9
99.04533	1.5
101.02438	23.2
102.02791	0.3
108.02142	1.7
111.00892	0.7
113.02444	10.3
119.03488	3.5
123.00919	0.6
123.04533	1.4
123.08261	0.3
125.02465	2.2
131.03519	0.9
135.08171	0.8
137.02487	1.2
137.09703	2.9
139.04068	0.4
141.01985	0.4
141.05571	0.3
143.03502	3.2
149.04575	0.8
151.11290	2.7
153.12816	1.8
159.03030	0.6
161.04538	7.2
162.26923	0.3
173.09723	0.4
179.05612	2.6
189.12828	2.3
191.14409	0.4
203.05539	0.5
204.11543	1.5
205.12238	0.7
207.13918	1.4
219.13855	0.5
225.14937	12.1
225.17085	0.7
226.15355	0.9
228.79916	0.4
239.05533	0.6
249.14995	1.3
267.15945	2.7
277.14505	0.5
289.07248	0.4
295.67035	0.4
297.17288	0.7
303.54242	0.3
311.48654	0.3
321.17142	0.6
337.16785	0.3
351.18118	2.1
362.49493	0.3
362.59888	0.4
369.19165	8.0
370.19580	0.7
387.20224	8.4
388.20752	0.9
429.08704	0.6
429.14169	1.4
429.21658	2.1
429.26294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03443	2.4
58.00583	0.7
59.01377	100.0
60.01711	0.6
61.98822	0.5
69.03442	0.6
71.01381	23.6
72.01806	0.4
72.99323	1.3
73.02946	16.5
75.00867	0.4
81.03434	0.6
81.92750	0.4
83.01382	6.3
85.02945	6.6
87.00858	2.1
87.04523	2.5
89.02444	12.2
93.03473	0.7
95.01408	1.7
96.96082	0.7
97.02976	0.7
98.21771	0.3
99.00917	1.7
99.04540	1.3
101.02439	21.3
104.73892	0.5
108.02155	2.3
111.00900	0.8
113.02446	10.6
113.37646	0.4
119.03483	4.7
120.99677	0.4
123.04523	1.1
125.02466	1.9
131.03511	1.2
137.02464	1.1
137.09731	3.2
143.03510	3.8
149.04561	0.8
151.11275	2.2
153.12868	1.6
155.03520	0.4
159.03040	0.5
161.04567	7.4
176.03474	0.4
179.03691	0.4
179.04187	0.5
179.05583	2.7
179.10800	0.7
181.12357	0.5
189.12817	2.6
203.05582	0.7
204.11562	1.0
205.12160	0.6
207.13966	1.5
209.15611	0.5
219.13936	0.5
225.14958	12.5
225.17088	0.7
226.15318	0.7
239.05740	0.4
249.15051	1.4
267.15958	2.0
289.07394	0.5
297.17252	0.7
321.17148	0.5
351.18121	2.6
369.19107	8.2
370.19647	0.8
387.20215	8.6
388.20679	0.6
429.08545	0.5
429.14359	0.7
429.21423	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13933	0.3
57.03455	0.5
58.00590	0.5
59.01376	100.0
60.01713	1.0
61.98841	0.4
69.39338	3.0
71.01379	12.9
72.99308	0.9
73.02946	1.9
83.01387	1.1
85.02960	2.9
87.00888	1.6
89.02441	17.0
90.98664	0.4
95.01390	0.7
96.95990	0.8
99.00880	0.4
101.02438	8.1
102.19823	0.4
113.02443	5.4
119.03494	7.6
125.02570	0.5
131.03502	0.6
137.09714	2.6
139.04076	0.7
143.03494	2.0
149.04579	0.7
159.03027	0.3
161.04558	2.2
179.05583	5.5
192.32484	0.3
225.15013	0.5
298.09045	0.4
327.63098	0.4
369.19449	0.9
387.20337	1.6
429.21646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59908	0.4
54.22141	0.3
55.33943	0.3
57.03440	1.6
59.01376	100.0
60.01705	1.1
65.03965	2.4
67.01883	0.9
69.03455	0.5
70.98895	1.0
71.01373	7.4
72.99300	0.6
73.02944	1.7
75.00881	0.6
77.77451	0.3
79.95740	0.7
83.01382	0.7
85.02956	2.5
87.00411	0.4
87.00880	2.2
89.02439	4.8
91.01871	2.2
93.03417	0.4
95.01382	0.9
96.96031	2.0
97.02913	0.5
97.06570	1.4
99.00900	0.8
100.00407	0.5
101.02439	4.6
107.05013	3.1
109.02946	17.9
110.03290	0.6
113.02441	4.5
119.03490	1.1
119.05019	2.5
120.05842	0.4
125.02435	1.0
135.00876	9.4
135.04492	0.9
135.11848	0.6
142.06604	1.4
143.03526	0.6
145.02946	1.6
153.01924	50.5
154.02298	2.0
157.07712	0.6
161.04564	1.2
161.09694	2.8
161.13330	0.6
163.07828	0.4
179.10770	0.5
186.05559	0.4
187.11240	3.1
189.09120	0.9
203.10771	0.6
205.12299	1.2
207.10216	1.0
223.13365	13.5
224.13722	0.9
229.06252	0.4
237.03354	0.6
249.06105	0.9
249.11197	1.5
267.07196	2.1
267.12341	17.8
268.12601	1.5
290.00833	0.5
309.13229	0.6
349.01968	1.0
387.20282	2.3
388.20496	0.4
429.06717	3.9
429.17551	3.4
430.07867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.9624
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50381	1.1
70.09319	4.4
98.20580	1.5
104.62667	1.2
111.00929	1.5
133.09282	1.1
170.98767	1.9
188.95662	2.0
198.98270	3.5
204.98778	20.8
206.96689	42.2
212.95663	1.4
214.97296	1.6
220.98270	5.1
222.98251	5.2
224.97690	3.6
227.00807	5.5
228.98802	3.8
230.96696	30.3
231.00182	5.9
232.98109	4.0
236.99852	2.1
244.98430	1.3
245.01849	3.7
247.00003	7.6
248.97745	43.8
249.98146	2.1
252.98788	1.4
254.97060	1.5
255.00357	7.9
256.98294	21.0
258.96152	16.2
261.01416	1.4
266.98801	13.4
270.99835	15.8
272.97754	15.5
273.00696	2.5
274.99261	3.5
276.97217	4.2
280.98352	6.6
282.96219	15.6
286.99216	2.4
289.00882	19.4
290.00717	1.8
290.98746	3.6
292.96759	2.4
296.97791	6.3
298.99277	23.1
300.97235	52.9
301.97711	2.3
306.96246	1.7
307.01913	3.4
314.98788	38.2
316.96722	13.3
317.00174	2.5
318.98178	2.8
324.97180	15.7
326.94855	3.4
330.98550	2.4
332.99863	4.8
342.94504	2.0
342.98294	23.4
344.96225	27.9
355.96640	2.0
358.97772	100.0
359.98022	5.8
368.96143	12.1
369.96448	1.8
372.95901	2.7
376.98645	1.8
384.95743	25.4
386.97205	31.9
388.95172	1.9
391.96066	1.8
392.45941	2.3
412.95166	44.1
413.95270	2.5
430.96237	87.3
431.96365	5.3
448.97223	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	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12087	0.5
58.80400	0.4
59.01368	0.7
60.99302	14.6
64.10909	0.4
71.01366	0.8
71.57520	0.6
75.43423	0.5
77.12422	0.5
88.98801	100.0
89.02438	3.5
89.99132	1.4
147.40262	0.4
159.16881	0.4
191.05577	2.2
191.34462	0.4
239.05850	0.5
245.16316	0.5
258.28815	0.5
267.07172	0.5
308.80106	0.5
341.10947	0.7
458.54126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72552	1.0
57.03434	3.6
58.00587	1.1
59.01376	98.1
60.01685	1.5
61.98807	1.3
66.43207	1.0
68.30786	1.1
69.03473	1.2
71.01374	16.7
71.59862	1.8
72.99256	2.0
73.02935	4.6
74.43353	1.1
76.57213	1.1
79.01910	1.0
80.05090	1.0
83.01368	2.0
85.02966	5.5
87.00857	2.2
89.01926	1.5
89.02446	22.1
95.01350	1.8
96.95993	3.2
97.02930	2.2
99.00897	1.6
99.04502	1.6
101.02444	17.0
103.03970	3.5
106.96213	1.1
107.01379	4.1
108.02169	1.9
109.02937	3.0
111.00881	1.7
113.02448	7.0
115.03987	1.3
117.05528	2.1
119.03483	7.7
121.02926	1.8
123.00925	7.9
124.01689	2.2
125.02436	26.8
130.32642	1.1
131.03453	2.9
135.04489	1.4
137.02469	1.3
137.58325	0.9
138.01955	12.2
138.05609	9.0
139.00330	3.2
140.01064	1.4
141.01837	1.4
143.03465	2.3
145.49834	1.1
149.04536	2.8
150.00203	1.0
151.00372	7.1
151.03952	2.2
153.01859	2.7
161.02357	2.3
163.06131	10.5
168.00642	7.7
168.81998	1.0
168.99979	1.7
169.01405	31.9
176.04689	1.4
179.03458	4.0
194.05865	2.9
195.02988	2.7
195.06572	3.8
205.07048	1.4
208.07297	2.4
209.08150	13.1
211.02452	32.8
250.86089	1.2
251.09221	5.6
255.05020	1.3
269.10382	2.3
271.04568	43.1
272.04861	2.2
279.10779	7.6
309.08218	2.2
313.05429	1.5
331.06445	3.6
371.08105	1.2
413.10641	2.4
431.11731	100.0
432.11533	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80852	0.5
56.24171	0.6
57.03424	0.8
59.01376	17.4
60.85157	0.6
62.54939	0.5
66.21893	0.5
69.97545	2.8
71.01387	8.3
73.02931	2.8
76.18666	0.6
82.46926	0.5
83.01380	1.4
85.02958	1.8
87.00871	0.7
87.04499	1.1
89.02451	7.6
95.01386	0.9
101.02437	5.9
107.01382	2.8
108.02153	2.2
109.02946	18.8
110.03268	0.8
111.00858	1.6
113.02454	2.3
115.04034	0.9
117.05556	0.7
119.03496	2.3
121.02939	1.5
123.00867	2.2
123.04523	2.4
124.01652	1.9
125.01637	1.0
125.02449	14.1
126.02711	0.5
131.03386	0.5
133.05040	1.0
136.98846	0.7
137.02390	1.1
138.05635	2.8
139.00322	1.6
139.03946	1.4
140.01187	0.7
149.02399	0.9
151.00352	6.8
151.03986	2.4
152.01167	11.9
153.01933	35.5
153.05540	1.6
154.02283	1.2
161.02428	0.8
167.03355	1.4
168.00641	1.6
169.01427	18.4
179.03529	1.3
193.60675	0.6
195.02971	59.3
196.03307	2.6
209.08162	2.7
211.02446	5.2
225.04045	1.3
255.05069	43.2
256.05368	2.6
271.04568	7.1
279.10736	1.0
295.10315	11.7
296.10632	0.8
313.05646	5.4
371.13278	0.7
373.07697	3.6
396.16980	0.9
413.10800	1.7
431.11865	100.0
432.12173	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69109	0.9
57.31878	1.1
59.01376	100.0
67.01907	1.0
69.03440	1.1
69.67305	1.0
70.98026	1.5
70.98365	1.1
71.01380	11.8
72.99294	1.2
73.02934	2.5
82.00609	1.2
83.01403	1.3
85.02927	3.3
87.00852	4.5
89.02438	13.5
93.03454	4.5
95.01358	1.5
97.02937	1.0
101.02431	6.9
103.56644	0.9
106.93976	0.9
107.01396	3.5
109.02944	1.7
111.00841	2.9
113.02412	4.0
117.05562	1.4
119.03482	2.3
123.00829	3.6
123.03255	6.4
123.04516	1.7
124.01624	4.5
125.02438	33.9
131.03481	2.3
136.01614	2.4
137.02444	14.4
138.01927	2.0
138.05603	90.1
139.00328	3.1
140.01103	3.7
143.03484	1.1
149.04552	2.4
151.00291	2.6
151.03957	2.8
152.01100	1.8
153.01929	2.6
161.02373	3.1
161.04449	2.7
166.99838	1.4
167.03418	1.6
168.00627	14.0
169.01419	51.6
170.01530	1.1
176.04654	2.5
179.03470	11.9
180.06601	1.2
181.08733	2.3
194.05785	6.2
195.02965	5.7
209.04594	1.7
209.08179	15.2
211.02461	70.7
212.02812	2.7
220.03185	1.0
237.08205	1.0
239.05595	5.5
241.03479	1.8
255.05017	5.4
271.04565	88.6
272.04874	5.3
279.10760	3.1
299.07739	1.5
300.10840	2.0
313.05630	1.5
331.06635	7.1
373.07742	1.3
431.11737	93.1
432.12302	5.4
432.14722	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	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
58.00579	1.2
59.01374	61.2
61.98825	8.9
71.01381	13.9
71.59259	1.2
71.59689	1.1
72.99294	3.1
73.02934	3.8
74.99074	1.2
75.00862	2.0
83.01377	2.6
85.02955	5.9
87.00849	2.4
88.98801	5.7
89.02438	10.7
93.03432	3.6
95.01372	4.5
96.96004	7.0
97.02950	1.2
98.95585	1.1
99.00856	2.8
99.04511	1.6
101.02431	9.7
105.03381	0.9
107.01394	4.1
108.02154	4.3
109.02975	7.2
110.00143	1.1
111.00867	3.9
113.02432	6.3
117.05573	1.8
118.98087	0.9
119.03478	3.8
120.99653	1.9
121.02948	2.4
123.00887	11.6
123.04477	3.3
124.01595	1.6
125.01515	1.4
125.02438	29.9
126.02729	1.4
127.00327	1.3
129.01926	1.3
131.03416	1.6
135.04509	1.3
136.98811	1.7
137.02448	13.8
138.03296	1.1
138.05608	15.3
139.00354	4.6
139.04057	1.3
140.01125	4.4
141.01962	1.8
149.02408	2.1
149.04485	1.3
150.03082	1.3
151.00365	6.6
151.04019	3.8
152.01115	7.7
153.01907	10.2
153.05518	1.4
161.02408	2.8
161.04532	1.0
163.03905	0.9
165.01913	1.6
165.05502	1.7
167.03448	3.1
168.00642	7.7
169.01399	40.7
170.01761	1.7
177.05511	1.2
179.03462	6.9
181.04945	1.8
194.05789	1.8
195.02956	13.0
195.06628	1.2
209.04613	2.2
209.08191	7.1
211.02472	32.7
212.02779	1.6
214.55740	1.2
227.09177	2.8
239.05580	3.4
255.05067	11.5
267.07071	1.4
271.04562	54.3
272.04846	2.6
276.02594	1.0
279.10681	1.9
289.07251	1.6
295.10358	1.6
313.05615	2.8
331.06665	8.7
344.52148	1.1
358.97601	1.7
391.02734	1.2
413.10745	2.8
431.11746	100.0
432.11490	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13986	0.4
55.56260	0.4
59.01375	100.0
60.01714	0.9
61.98816	1.4
66.55340	0.4
67.13581	0.4
70.59828	0.5
70.60179	1.3
70.77011	0.4
71.01369	2.3
73.02948	1.1
83.01372	0.6
85.02944	1.0
87.00866	0.6
88.98756	0.4
89.02429	2.2
93.03471	0.7
95.01379	0.9
96.96020	0.8
101.02433	2.1
107.01407	0.5
108.02199	0.5
109.02965	1.4
111.00928	0.5
113.02441	1.0
117.05576	0.6
119.03532	0.8
123.00899	1.8
124.01697	0.5
125.02441	6.0
127.79638	0.4
137.02498	1.6
138.02155	0.5
138.05589	5.4
138.06480	0.5
139.00381	0.8
151.04050	1.2
152.01170	0.6
153.01949	1.7
161.02420	2.5
161.04602	0.7
161.14465	0.4
168.00685	1.4
169.01427	7.9
169.02818	0.6
176.04787	2.1
179.03484	5.6
180.03767	0.5
191.07117	0.9
194.05826	6.8
194.07436	0.6
195.03021	1.0
196.06639	0.4
209.08186	17.1
210.08606	0.9
211.02499	4.6
217.76176	0.4
255.05196	0.8
263.29941	0.4
271.04575	6.7
271.07172	0.7
285.12598	0.4
331.06750	0.7
413.10931	0.8
431.11633	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24302	0.4
51.12098	0.4
53.24687	0.4
59.01377	100.0
60.01702	0.7
61.98788	0.4
69.35961	2.3
69.36385	1.4
71.01391	1.3
76.26169	0.4
82.53008	0.4
85.03014	0.5
89.02460	1.4
93.03474	0.6
93.86367	0.4
101.02449	1.2
113.02419	0.6
121.02882	0.4
123.00903	0.7
123.03285	1.2
125.02441	4.8
137.02441	0.7
138.04543	0.9
138.05609	18.3
139.00348	0.5
148.63383	0.4
151.04008	0.8
161.02477	3.1
161.04536	0.7
168.00627	0.6
169.01402	7.1
176.04822	1.8
179.03481	5.7
191.07137	0.7
194.05840	6.4
195.03084	0.5
209.08170	19.2
210.08565	0.8
211.02448	3.7
255.05043	0.4
271.04590	5.4
409.01544	0.5
431.11850	8.9
432.15356	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
59.01377	100.0
60.01698	1.0
61.98830	3.1
69.53249	4.0
71.01371	6.5
73.02938	2.1
80.13194	0.7
83.01386	1.0
85.02968	1.9
88.98799	1.2
89.02447	4.8
95.01392	1.2
96.90017	0.7
96.96023	3.5
97.02953	0.8
101.02454	3.6
108.02172	7.6
109.02950	3.7
111.00891	0.8
113.02467	2.2
117.05581	1.1
119.03552	1.5
119.05042	1.1
121.02951	1.0
123.00851	1.8
123.04509	1.6
125.02447	5.3
131.03560	1.4
135.04573	2.1
136.05309	2.0
138.01970	32.9
138.05591	12.5
138.51097	0.7
141.01955	0.8
149.04562	1.3
151.00412	1.3
151.04013	1.9
151.07715	1.3
161.02457	4.8
161.04573	1.0
169.01425	5.0
176.04800	3.0
179.03488	4.5
190.81841	0.7
191.07237	0.9
194.05856	4.4
195.06613	7.8
209.08189	13.6
211.02477	2.9
226.08435	1.2
226.28349	0.7
253.07330	2.3
271.04663	2.9
309.08255	1.2
384.00256	0.7
431.11447	6.1
431.16669	9.9
432.15634	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	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03449	1.5
58.00599	0.8
59.01377	100.0
60.01715	1.0
60.10421	0.7
61.98827	3.4
65.08441	0.6
68.18980	0.6
69.03477	0.6
71.01379	18.7
71.59666	1.2
72.99295	1.7
73.02943	5.6
82.92287	0.6
83.01408	1.0
85.02969	4.1
87.00896	2.4
88.98820	2.1
89.02444	26.6
93.03471	2.3
95.01390	2.3
96.96019	1.9
99.00875	7.7
101.02448	10.9
102.35766	0.6
102.98594	0.7
103.48048	0.6
107.01401	1.6
108.02184	1.1
109.02952	2.2
111.00878	1.9
113.02454	5.6
114.05534	0.7
115.04070	0.7
117.05621	1.0
119.03518	4.9
119.05003	6.1
120.99680	1.0
123.00920	2.9
123.04539	0.9
124.01715	0.7
125.02446	13.9
131.03513	3.3
137.02458	4.4
137.06113	0.8
139.00400	2.3
139.04089	0.8
140.01147	0.8
147.67459	0.7
149.04529	8.4
151.00433	2.0
151.04044	1.8
152.01082	0.8
153.01964	2.7
153.05585	0.8
161.02448	3.0
161.04605	1.7
167.03473	1.4
168.00600	2.9
169.01405	16.8
170.01797	0.7
176.04781	1.6
179.03546	6.7
179.05676	1.0
181.04953	0.8
191.05583	2.1
191.07230	2.5
194.05821	5.7
195.02945	0.7
195.06499	0.7
209.08167	15.2
209.10022	1.1
210.08638	0.7
211.02473	11.0
211.04349	0.9
239.05618	1.7
271.04575	14.3
272.05115	1.1
279.10995	0.8
292.19113	0.6
299.11505	2.1
313.05777	1.6
331.06821	1.7
413.11029	1.9
431.11514	15.2
431.15829	32.4
432.11212	1.1
432.16699	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
57.03450	4.7
58.00586	0.7
59.01376	53.3
61.78983	0.6
61.98808	1.1
68.63723	0.6
69.03448	1.1
69.28705	5.9
71.01377	24.9
72.01761	0.6
72.99313	4.2
73.02952	3.8
75.00869	16.8
76.78181	0.5
81.03471	1.0
83.01374	1.3
84.02155	0.9
85.02941	29.5
87.00863	9.0
88.98788	1.3
89.02443	7.7
93.03461	0.7
95.01373	6.2
96.95982	1.5
97.02976	0.7
99.00880	14.3
99.04503	0.7
101.02448	3.5
103.00367	2.6
111.00867	0.8
113.02443	32.8
115.00382	1.6
117.01921	3.9
119.03439	0.9
127.03993	1.0
129.01913	2.3
131.03459	1.0
132.88370	0.5
135.08157	4.4
137.09709	12.5
138.09998	0.8
142.41254	0.5
155.10773	24.5
156.11107	1.0
161.04578	1.5
175.02444	3.5
178.06963	0.7
181.08731	6.0
187.06003	1.0
193.03560	0.9
198.17567	0.7
199.09705	4.5
209.11874	0.8
227.03447	2.2
249.06071	1.3
255.03003	1.9
269.13818	0.9
284.03238	2.3
311.05441	1.2
349.69742	0.7
369.15390	2.2
371.20648	0.8
387.16455	1.4
389.21838	1.7
413.14468	2.7
431.10202	4.7
431.15500	100.0
432.15839	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	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85613	0.3
55.01868	0.4
57.03451	0.7
59.01376	100.0
60.01167	0.3
60.01709	0.9
61.98834	0.3
69.25243	2.8
71.01376	10.9
71.33103	0.3
72.99309	1.2
73.02935	2.3
75.00861	2.7
83.01413	1.2
85.02946	6.5
85.99142	0.3
87.00862	1.5
89.02439	10.0
93.03452	0.5
93.85607	0.3
95.01395	1.4
95.57358	0.3
96.96008	0.7
97.02956	0.3
99.00882	2.4
101.02436	5.8
103.00313	0.5
109.02964	0.4
113.02443	8.8
115.00396	0.4
117.01946	0.5
119.03517	3.8
119.93315	0.3
127.04091	0.4
131.03514	0.8
135.00926	0.3
135.08165	0.8
137.02397	0.5
137.09712	2.1
143.03503	0.9
149.04538	0.3
155.10786	3.9
159.03061	0.4
161.04538	5.1
163.00374	0.6
171.04523	0.3
175.02515	0.5
179.05629	2.6
181.08711	1.1
185.06108	0.8
187.03996	0.9
199.09789	0.9
211.03922	0.7
213.05499	0.3
227.03477	9.3
227.07210	1.4
228.03880	0.6
229.04945	1.9
239.03523	0.6
240.04214	0.3
249.06212	0.4
255.00233	0.4
255.00699	0.2
255.02956	12.6
256.03534	2.2
257.04614	1.3
268.03787	1.4
284.03247	13.5
285.04007	23.4
286.04492	1.7
371.20712	9.2
371.25461	0.4
372.21066	1.1
431.09872	14.2
431.15680	16.6
431.22556	1.5
432.10046	1.5
432.16010	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3155
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
59.01372	6.3
61.98819	0.6
71.01394	0.7
71.04627	0.9
71.05013	12.1
72.72085	0.5
87.04476	0.5
99.04526	1.6
105.15324	0.5
139.39412	0.6
145.02943	1.9
291.23410	2.6
341.24927	3.2
355.26328	2.5
357.27957	4.7
359.29501	19.4
359.34030	1.0
360.29865	1.3
373.27310	1.4
387.32596	0.8
403.28375	1.9
409.79706	0.5
431.31635	100.0
432.31943	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	432.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00323	0.1
57.03435	0.2
58.00592	0.1
59.01376	4.4
60.01683	0.1
61.98806	0.1
68.01414	0.5
69.03442	0.1
69.78985	0.1
69.79372	0.2
71.01377	3.0
72.99297	0.1
73.02940	0.5
81.03429	0.1
83.01357	0.2
85.02944	0.6
87.00870	0.1
89.02441	4.2
92.37377	0.1
95.01379	0.1
95.04992	0.1
96.96000	0.1
97.02958	0.2
98.19817	0.1
99.00873	0.3
101.02432	1.4
109.02936	0.1
110.02475	0.1
111.00884	0.1
113.02448	0.8
119.03509	0.2
119.05063	0.1
120.04562	0.1
122.02503	0.4
123.03263	8.2
124.01656	0.2
124.03619	0.2
124.07682	0.1
125.02435	1.9
126.02831	0.1
126.66516	0.1
131.03503	1.7
136.04108	0.1
136.07738	0.1
137.02415	0.1
137.04803	0.2
138.05603	100.0
139.00314	0.1
139.04077	0.1
139.05954	3.4
140.07181	0.2
143.03485	0.3
149.04539	1.2
151.00352	0.1
151.04008	0.2
152.00943	0.1
152.03526	0.1
152.07195	0.3
153.01874	0.1
154.02725	0.1
154.08690	0.1
161.02473	0.1
161.04564	0.9
161.05882	0.1
165.04314	0.1
167.03445	0.1
167.05882	0.1
167.10811	0.1
169.01439	0.3
170.01781	0.2
180.04015	0.1
180.06635	1.3
181.05089	0.1
182.08257	0.1
191.05682	0.3
195.02997	0.2
196.03360	0.2
210.07718	0.1
211.02501	0.2
211.09676	0.2
212.02721	0.1
233.06696	0.4
240.05809	0.1
255.05359	0.1
256.05530	0.2
271.04684	0.1
272.04956	0.1
289.07166	0.1
293.08780	1.2
300.10867	2.3
301.11328	0.2
373.15247	0.1
374.08389	0.1
432.15283	8.5
433.15814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
65.00312	0.6
69.26700	1.4
69.27114	3.3
75.35822	0.4
84.49773	0.5
96.23312	0.5
97.79955	0.5
98.20615	0.8
107.01387	1.5
107.40101	0.4
108.02163	1.1
109.02903	0.5
119.82580	0.4
121.02943	1.0
135.00883	0.7
151.00354	6.0
163.00359	1.4
178.99860	3.7
192.00661	0.4
197.23019	0.4
198.85797	0.4
211.04041	0.9
215.03557	0.5
216.04411	0.7
226.02707	1.2
227.03564	2.4
227.07120	0.7
229.44720	0.5
243.02975	8.1
244.03392	0.9
245.04324	0.7
252.48268	0.5
254.02162	1.6
255.02959	22.0
256.03360	1.7
269.03821	0.5
271.02466	43.6
272.02966	4.3
273.04031	0.7
300.02734	100.0
301.03394	23.8
302.03864	1.3
355.69589	0.5
424.63257	0.5
433.07709	59.9
434.08084	7.6
452.97903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01370	0.7
63.02407	0.5
65.00323	1.1
69.37592	4.0
71.24576	0.5
76.42249	0.5
83.01390	0.5
107.01359	2.4
108.02177	1.6
108.73436	0.5
109.02933	1.3
116.71454	0.4
121.02903	1.1
125.02452	0.5
125.38658	0.5
135.00928	0.7
148.01671	1.5
151.00377	6.4
163.00310	1.2
164.01103	0.9
178.99829	3.3
199.03957	0.9
199.36201	0.4
211.03999	0.8
217.04976	0.6
226.02678	1.4
227.03537	2.2
232.54474	0.5
243.02960	12.7
244.03535	0.8
245.04570	1.1
254.02170	2.6
255.02953	27.4
256.03351	1.5
260.63751	0.5
271.02454	56.3
272.02859	4.1
273.04105	0.5
273.14029	0.5
283.02417	0.7
299.01978	1.5
300.02728	100.0
301.03409	25.5
302.03873	1.1
371.94449	0.5
433.07690	73.2
434.08072	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	433.1136
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03440	0.3
59.01375	2.1
61.98833	2.4
63.02390	2.2
65.00315	5.4
65.00632	0.4
65.31825	0.2
69.27326	2.4
71.01382	0.6
83.01383	3.5
89.02410	0.3
93.03453	8.0
94.03780	0.4
96.96018	0.5
101.02420	0.3
107.01384	10.9
108.02242	0.4
113.02410	0.4
119.05022	34.5
120.05331	1.5
121.02945	0.6
123.04546	0.3
125.02424	1.0
131.01361	0.5
143.04941	0.3
144.43532	0.3
145.02983	0.6
149.02429	0.4
150.05630	0.2
151.00357	41.4
152.00668	1.3
153.53989	0.3
161.06075	0.3
164.01099	0.7
165.01883	1.7
169.01416	0.6
175.00328	1.3
177.00513	0.4
177.01932	5.2
187.03966	0.4
189.01723	0.2
193.01410	0.9
227.07179	0.7
244.90039	0.2
255.02888	0.7
271.06088	100.0
272.06436	8.2
281.06622	0.4
282.06912	0.6
285.07584	0.3
295.05951	1.0
300.02744	2.2
301.03329	0.9
313.06992	1.3
433.07574	1.2
433.12119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1346
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01878	0.6
57.03433	0.5
59.01376	11.6
61.98817	1.2
67.01865	0.7
69.03439	0.5
69.47613	2.8
71.01377	6.2
72.99281	1.2
73.02940	1.9
79.01889	0.9
83.01378	1.4
85.02953	3.0
87.00863	0.6
89.02436	4.3
94.97047	0.4
95.01383	2.3
95.05029	0.4
96.95983	1.2
97.02937	0.9
99.00914	0.7
101.02431	4.1
107.01389	4.0
109.02955	0.7
110.00064	0.7
111.00854	1.8
111.86618	0.4
113.02474	1.9
119.03469	1.0
119.07120	0.8
121.02930	0.5
123.00882	15.0
124.01725	2.3
125.02441	16.2
126.02753	0.8
127.00392	0.4
128.03496	0.7
136.98811	1.4
137.02414	1.0
137.90942	0.4
138.03214	0.6
138.05655	0.6
139.00377	4.7
139.03955	1.4
139.05934	0.8
140.01134	2.3
140.07185	0.5
141.01913	1.6
151.00348	10.5
152.25909	0.4
153.01924	3.5
161.04652	1.0
161.25468	0.4
163.03914	0.6
168.00638	3.8
168.04272	1.3
169.01410	21.9
169.05060	0.9
170.01720	1.0
179.03470	0.9
179.05615	0.6
181.05038	1.0
195.02963	0.7
211.02454	1.9
271.04431	3.2
283.08148	1.5
313.05545	2.0
410.55502	0.5
433.13443	100.0
434.13727	8.3
450.93710	0.4
457.74191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1346
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
55.01867	1.1
57.03455	1.0
58.00583	2.3
59.01377	56.2
60.01706	0.7
61.98812	1.4
67.01905	0.7
69.03458	5.4
70.34974	2.2
71.01376	62.0
72.99307	4.3
73.02939	8.9
75.00875	2.7
78.95895	6.1
79.95725	2.4
81.03458	3.1
83.01399	3.4
85.02955	8.5
87.00871	2.0
89.02439	71.8
90.02725	1.1
95.01385	2.6
96.96008	100.0
96.96914	11.6
97.02941	10.9
99.00878	14.2
99.04492	1.4
101.02446	14.8
107.01380	1.1
109.02918	0.8
111.00880	2.1
111.12437	0.7
113.02435	9.3
115.04005	6.3
115.23845	0.6
117.56182	0.6
119.03510	1.7
123.00858	4.8
124.01659	27.7
125.02447	44.8
126.02817	1.7
127.03995	0.9
131.03505	9.1
137.02487	1.0
138.03247	1.2
139.00340	1.4
139.04001	10.0
143.03499	3.3
144.54689	0.8
149.04561	11.6
161.04475	3.6
169.01457	1.5
169.77979	0.8
173.04642	1.3
179.05602	1.1
180.11559	0.7
191.05597	7.0
227.02295	0.8
227.93704	0.7
233.06636	26.7
271.04883	1.4
292.40842	0.7
293.08780	35.2
294.09305	2.1
335.13544	3.1
353.64636	0.8
355.12244	0.8
433.14056	9.1
434.13016	1.0
441.39108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01377	100.0
60.01719	0.5
69.03461	0.6
69.46915	2.2
69.47331	1.0
69.99999	0.4
70.29810	0.4
70.74904	0.5
71.01379	4.2
73.02944	1.0
83.01379	0.4
85.02966	1.8
89.02457	1.5
96.96020	0.9
99.00836	0.5
101.02432	2.6
109.02943	0.9
113.02457	1.8
116.48958	0.5
123.04546	1.3
125.02431	2.4
138.05640	1.8
139.04022	1.0
139.05995	1.4
139.07674	1.1
149.02405	0.8
151.00392	0.4
151.04080	0.5
153.01913	0.9
161.02451	0.7
161.04535	4.4
167.10756	2.9
181.05052	3.4
195.03062	1.1
196.07390	3.7
197.03423	0.8
211.09744	10.8
211.11629	0.7
212.10188	0.8
252.34212	0.4
257.05652	0.5
271.61594	0.5
289.07300	0.6
373.15125	3.6
433.12122	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	433.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03437	0.7
58.00581	0.8
59.01377	25.6
61.98819	1.2
69.93661	0.3
70.61859	0.7
70.62208	0.6
71.01380	12.5
72.99299	1.2
73.02934	1.1
76.65771	0.3
83.01377	1.2
85.02943	3.1
87.00873	0.5
89.02439	10.0
95.01374	1.1
96.27444	0.3
96.96007	0.5
97.03010	0.3
98.59189	0.3
101.01779	0.5
101.02441	8.7
103.10593	0.3
103.47955	0.3
113.02425	3.8
119.03491	3.4
137.09621	0.3
147.85941	0.4
153.24205	0.3
159.44289	0.3
161.04550	0.4
166.73636	0.3
167.71075	0.3
169.81625	0.3
181.15929	0.4
209.15439	5.3
210.15805	0.4
211.13388	0.3
227.16479	0.8
253.14421	9.0
254.14737	0.9
260.72067	0.3
271.02621	0.3
300.02716	0.7
335.12787	0.4
389.08975	0.5
389.21823	1.4
415.19836	0.3
433.20724	100.0
434.21072	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01379	4.2
61.98837	0.8
77.86284	0.8
78.95899	56.2
88.08591	0.8
96.96957	6.7
100.06071	0.7
150.98001	1.7
152.99579	100.0
153.99905	2.7
171.00642	4.1
204.67920	0.7
225.40097	0.9
279.23285	1.1
326.70370	0.8
433.23486	9.1
433.33188	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	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81182	0.5
59.01377	100.0
60.01701	0.8
61.98827	1.6
71.01378	4.1
73.02949	1.7
79.88124	0.4
83.01422	0.5
83.61044	0.4
84.80818	0.4
85.02960	1.8
87.00908	0.4
89.02441	0.5
99.00895	0.7
100.28612	0.4
101.02449	3.7
105.41390	0.4
113.02456	1.4
119.03542	0.5
151.00389	1.8
157.42363	0.4
159.02985	0.6
161.04541	2.9
173.58347	0.5
178.99951	0.4
202.31421	0.4
229.13582	0.5
243.03099	1.4
255.02992	2.6
271.02509	6.9
272.02963	0.4
300.02734	9.5
301.03494	6.8
303.48169	0.4
349.37213	0.4
373.22284	9.5
374.22781	1.2
433.07559	6.6
434.08246	0.7
449.54907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81182	0.5
59.01377	100.0
60.01701	0.8
61.98827	1.6
71.01378	4.1
73.02949	1.7
79.88124	0.4
83.01422	0.5
83.61044	0.4
84.80818	0.4
85.02960	1.8
87.00908	0.4
89.02441	0.5
99.00895	0.7
100.28612	0.4
101.02449	3.7
105.41390	0.4
113.02456	1.4
119.03542	0.5
151.00389	1.8
157.42363	0.4
159.02985	0.6
161.04541	2.9
173.58347	0.5
178.99951	0.4
202.31421	0.4
229.13582	0.5
243.03099	1.4
255.02992	2.6
271.02509	6.9
272.02963	0.4
300.02734	9.5
301.03494	6.8
303.48169	0.4
349.37213	0.4
373.22284	9.5
374.22781	1.2
433.07559	6.6
434.08246	0.7
449.54907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99617	0.3
59.01376	2.9
61.16748	0.2
61.98826	100.0
69.76339	1.0
71.01397	0.6
75.00900	0.2
75.80618	0.2
83.33258	0.2
85.02950	0.4
86.33501	0.2
88.98833	0.4
96.96008	0.5
97.02948	0.2
98.19823	0.4
101.02429	0.5
102.98586	2.0
113.02456	0.3
125.02486	0.5
143.67836	0.2
152.07199	0.4
153.44341	0.2
161.04491	0.2
165.09163	1.1
197.11884	0.2
197.14088	0.2
209.08173	5.7
209.10034	0.4
210.08604	0.5
371.13354	1.1
374.22662	0.2
434.08093	0.2
435.26083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
60.01706	0.3
61.01811	0.2
61.98827	100.0
64.74361	0.2
70.11677	0.4
70.12065	0.3
81.26908	0.2
96.12849	0.2
96.96019	0.2
101.02440	0.2
125.02499	0.3
153.01952	0.7
177.01915	0.2
213.91132	0.1
214.21645	0.2
231.54169	0.1
271.06113	0.2
272.06461	0.4
385.11115	0.2
417.15509	0.2
435.09808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.2
59.01381	18.3
61.98824	11.0
69.88883	1.9
69.89250	4.4
71.01369	4.8
72.99287	1.0
73.02941	2.3
76.14180	0.9
79.95731	4.4
80.71997	0.9
80.96522	1.1
83.01373	1.3
85.02948	2.4
87.04520	4.5
89.02429	2.2
93.03457	3.6
95.95220	1.5
96.96008	100.0
101.02422	2.6
108.02171	9.8
109.02954	10.2
111.04540	1.0
113.02443	2.9
117.03536	1.0
119.03531	1.2
125.02425	1.7
135.04509	2.2
136.99095	1.4
137.02429	10.8
145.03021	1.0
147.04494	1.3
147.20920	1.1
152.01135	12.3
153.01952	8.1
161.02422	2.6
165.01933	6.6
175.54582	1.1
177.01895	1.3
179.03444	4.3
180.04225	4.1
190.02730	1.6
191.03494	1.2
192.00664	6.6
193.01410	1.4
194.05855	1.2
195.06583	6.8
197.02377	1.1
202.02702	2.8
204.00612	2.2
205.01361	2.3
206.02077	1.5
209.08267	1.5
213.01889	2.0
214.02644	3.5
215.03444	4.9
218.02213	2.6
219.03000	1.9
225.00620	5.5
225.07671	4.3
226.02592	5.1
227.03455	18.2
229.01283	2.6
230.02148	8.5
231.02934	2.8
240.04294	1.4
241.01372	3.8
241.04947	1.4
242.02139	8.6
243.02802	1.2
253.05109	2.6
253.08525	1.0
255.03023	2.1
258.01663	2.9
269.08212	4.6
271.02438	15.4
272.03085	2.1
273.11673	1.8
281.06784	1.5
285.04031	35.3
286.04785	4.6
287.09219	1.5
297.07617	15.2
303.08664	2.8
313.07242	1.9
315.07193	1.5
326.75046	1.0
329.10309	5.7
341.06625	31.5
342.06909	2.1
359.07654	25.4
360.08020	1.7
373.09271	7.3
387.14453	1.4
391.10312	47.6
392.10532	6.6
399.13046	1.2
435.09360	27.9
435.16867	71.8
435.21890	2.6
436.09695	3.3
436.17224	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.6
59.10650	0.9
61.98826	12.6
67.36993	1.0
68.99804	1.4
69.03465	1.1
71.01392	5.0
71.61476	1.0
71.61848	1.5
73.02933	3.0
75.00865	1.1
79.95748	6.1
83.01366	1.3
85.02946	2.8
87.04506	7.1
89.02408	3.2
93.03465	4.0
95.95246	1.6
96.96007	100.0
101.02431	3.9
108.02171	10.7
109.02953	7.7
113.02429	3.7
125.02431	3.1
133.02921	1.1
135.04524	4.3
136.01619	1.5
137.02435	18.3
143.04929	1.0
151.04022	1.1
152.01154	14.9
153.01930	6.6
153.05702	1.0
159.08594	1.2
161.02415	8.2
164.01013	1.2
165.01936	8.3
177.01881	1.8
178.99815	1.7
179.03459	5.5
180.04230	4.5
181.52530	1.3
190.02643	3.3
192.00610	7.9
193.01337	1.4
195.06625	7.4
202.02679	3.9
203.03391	2.1
204.00577	2.9
205.01468	4.9
206.02214	2.0
210.05222	1.5
213.01877	1.8
214.02670	6.5
215.03485	6.0
216.04214	1.7
217.01366	2.0
218.02168	4.2
219.02878	3.7
225.00711	7.1
225.07634	5.0
226.02698	7.2
227.03482	28.0
228.03996	2.6
229.01408	4.6
230.02197	9.8
231.02893	2.1
240.00668	1.1
240.04211	2.5
241.01401	4.4
241.05072	2.5
242.02176	11.8
243.02876	2.3
246.87770	1.2
247.66399	1.0
253.05009	3.0
255.03008	2.9
255.06563	1.5
258.01685	3.5
259.09692	2.2
267.06531	2.2
268.03751	1.2
268.07199	1.3
269.08081	6.4
270.04712	1.1
270.08368	1.1
271.02490	23.8
272.03018	4.1
281.06821	1.3
284.03336	1.4
285.04034	48.8
286.04520	8.0
297.07697	23.0
298.08176	1.4
299.07727	1.8
301.07150	1.7
303.08676	3.6
312.02634	1.3
313.07187	1.5
315.08151	2.5
329.10239	9.4
341.06610	46.0
342.06903	3.7
359.03290	2.3
359.07687	38.7
360.07950	3.9
373.09225	12.9
374.09683	2.6
387.14111	2.7
391.10315	73.8
392.10788	6.4
399.13065	4.2
417.25110	1.2
435.09348	27.4
435.16885	66.0
435.22116	4.6
436.09720	4.5
436.17145	7.8
439.03668	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.8
57.50439	0.6
59.01381	11.6
59.01647	0.9
59.98488	0.5
61.98829	21.9
61.99121	1.0
62.98510	0.7
71.01376	3.8
73.02913	1.5
77.48540	0.6
83.01353	1.1
85.02887	2.0
89.02406	1.6
93.03453	9.4
95.04981	1.4
96.95956	1.6
101.02433	3.6
107.05007	0.9
108.02148	1.2
109.02946	17.7
113.02401	1.7
117.03429	1.6
119.04953	2.3
121.02901	2.4
123.00872	0.9
123.03636	0.8
123.04520	15.7
124.01632	0.9
125.02448	6.8
133.02963	3.4
135.00803	1.0
135.04425	1.3
137.02330	1.1
138.02005	3.5
145.02078	0.8
145.02940	7.5
147.04495	4.3
149.02347	0.9
149.99585	4.4
150.03113	0.9
151.04015	8.4
159.04465	1.5
159.79115	1.0
161.02338	2.2
161.04550	1.1
161.05920	0.9
162.03174	1.1
163.03867	1.3
168.00620	5.4
176.01178	1.0
177.01913	25.2
178.02267	1.1
187.03964	1.4
189.01915	52.3
190.02687	12.0
191.03477	12.3
192.03754	0.7
203.03442	7.0
203.07188	0.7
210.08366	1.2
216.00621	8.3
217.01407	39.3
217.14438	1.0
218.02084	3.2
219.02951	15.2
229.05034	1.0
229.08597	0.8
229.15579	0.7
231.02962	13.9
232.03540	1.1
233.04443	0.9
241.05014	1.3
245.08070	1.1
253.04781	0.8
255.06535	1.1
269.04358	0.7
270.18869	0.7
271.06046	2.5
273.07642	1.6
281.04416	1.5
283.06100	2.1
289.07138	4.1
289.16437	4.9
293.57199	0.7
296.19504	0.7
297.07669	1.4
311.05624	5.7
318.40338	0.6
323.05551	2.6
323.09485	0.6
325.07150	1.0
341.06628	100.0
342.07028	9.6
367.97104	0.6
375.27646	1.3
389.21649	1.1
435.10699	48.2
435.22067	2.8
436.10873	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
61.98831	0.7
65.51801	0.6
66.86596	0.6
70.82925	0.5
71.01355	0.9
71.36279	1.0
85.02917	0.7
93.03457	9.8
95.05024	1.6
109.02946	15.1
117.03499	3.2
117.97321	0.9
119.05011	2.1
121.02937	1.1
122.03751	0.7
123.04517	15.7
133.02927	2.0
145.02943	12.4
147.04501	4.8
149.02399	1.0
150.03175	1.7
151.04010	7.2
159.04501	1.5
161.02412	2.5
162.03322	0.6
163.03989	1.3
163.96262	0.6
168.44875	0.5
176.01094	1.1
177.01921	24.1
187.04019	2.6
189.01923	54.8
190.02681	12.6
191.03482	10.2
203.03461	6.3
204.03926	0.7
205.05124	0.7
216.00612	8.0
217.01402	35.6
218.01961	3.6
219.02954	14.6
227.03346	0.9
229.05072	1.2
231.02966	9.9
231.40593	0.7
232.03506	0.9
233.04517	1.6
238.00429	0.6
241.05090	1.6
245.19765	0.6
255.02956	1.2
269.04596	1.1
271.06061	2.7
281.04562	1.8
283.06180	1.7
284.03284	0.9
285.04108	2.3
289.07169	5.1
297.07684	1.6
311.05606	5.5
323.05637	2.0
341.06638	100.0
342.06967	8.9
435.10834	47.7
435.25632	1.5
436.11209	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	435.1281
Annotation	Trilobatin
Peak:m/z	Relative Intensity
50.36218	0.3
57.03440	1.3
59.01377	5.2
61.98822	6.0
65.00323	1.1
67.56287	0.3
69.03418	0.4
71.01379	1.4
71.59437	0.3
73.02948	0.4
75.00892	0.5
80.55806	0.3
81.03452	10.3
83.01376	4.2
85.02950	1.2
87.00900	0.3
89.02433	0.5
93.03450	7.9
93.04016	0.6
95.01406	0.7
95.05046	0.8
96.96006	1.1
97.02939	0.4
99.00877	0.3
101.02415	0.5
107.01392	1.2
109.02937	0.9
111.04537	0.5
113.02447	0.8
119.05022	10.9
120.05379	0.3
123.04518	31.7
124.04875	0.9
125.02435	14.6
126.02795	0.3
132.74719	0.3
133.03024	0.3
134.84915	0.3
135.04535	1.4
137.02426	1.0
145.02953	0.6
147.04532	0.3
149.02415	1.9
151.00357	2.9
151.04019	0.4
153.01886	1.9
163.03969	0.6
166.02762	0.4
167.03477	80.6
168.03819	3.3
169.06641	0.4
177.01892	1.2
179.03473	8.4
180.03781	0.5
187.07587	0.7
189.01903	1.8
189.05537	2.2
190.02644	0.9
191.03543	1.6
211.07683	0.6
213.05530	0.4
213.09184	0.5
216.00551	0.5
217.01399	1.0
219.02925	0.7
229.08652	1.4
231.02933	0.5
249.06064	1.0
255.06700	0.7
271.06232	0.3
273.07651	100.0
274.08014	7.6
297.07629	0.6
315.08820	0.7
341.06583	4.2
375.27686	0.5
387.91504	0.3
415.34338	0.3
417.15466	0.4
435.11963	2.2
435.18472	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	435.1293
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
55.01876	1.2
59.01384	11.6
61.59418	0.5
68.99818	1.1
71.01382	13.9
71.62051	1.0
72.99300	0.8
73.02940	3.5
75.00867	0.9
79.95739	0.9
81.03458	0.7
83.01396	2.3
84.20303	0.5
85.02946	9.0
87.00904	0.8
89.02453	2.3
93.03456	22.9
94.03813	0.6
95.01382	2.4
95.05025	0.9
96.95997	3.8
96.99319	1.0
99.00878	1.1
101.02438	9.8
108.02197	1.2
109.02953	0.8
113.02444	5.6
119.03497	0.6
119.05054	0.8
121.02933	2.4
122.03728	1.0
123.04521	84.9
124.04870	2.4
125.02491	0.8
133.02962	0.6
135.04520	1.6
136.01657	2.0
137.02443	50.5
138.02760	1.4
147.04498	0.9
151.04083	0.8
153.05571	65.6
154.05898	2.4
161.04567	0.8
163.04089	0.5
165.01849	0.6
169.01537	0.7
179.03499	2.8
181.05138	0.6
185.11842	2.8
202.95839	0.5
221.04526	0.7
239.05623	1.3
249.06219	0.8
255.15813	0.5
281.06641	100.0
282.07019	5.8
301.03400	1.8
315.10504	2.4
341.06451	0.6
349.18677	0.7
387.14136	1.0
399.12833	1.2
406.06119	0.5
435.13165	12.0
435.17130	0.9
435.22693	10.2
436.13266	1.1
436.22836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03450	1.6
59.01377	3.3
61.42451	0.3
61.98834	1.5
65.00328	0.9
66.26830	0.3
69.57655	1.7
71.01376	0.5
81.03452	10.4
83.01381	4.8
85.02931	0.4
89.02417	0.4
93.03456	8.7
94.03811	0.4
95.01408	0.3
95.05035	0.5
96.96000	0.8
99.04527	0.5
107.01400	1.5
109.02972	0.8
111.04539	0.6
119.05026	10.1
120.05355	0.3
121.02959	0.4
123.04520	31.4
124.04855	0.7
125.02435	16.3
126.02795	0.4
135.04517	1.4
137.02428	0.6
139.03978	0.4
145.02953	0.5
147.04536	0.3
149.02417	2.7
151.00354	3.0
151.03973	0.6
153.01912	1.6
157.32568	0.3
161.02396	0.3
163.03975	0.7
165.05574	0.6
166.02733	0.4
167.03482	80.4
168.03833	3.1
177.01912	1.3
179.03487	9.1
187.07544	0.4
189.01929	1.6
189.05592	2.1
190.02638	0.7
191.03473	1.0
211.07709	0.6
213.09093	0.3
217.01453	1.5
219.02985	0.4
229.08670	1.1
231.02959	0.4
255.06503	0.7
273.07660	100.0
274.08002	7.3
297.07538	0.8
341.06619	4.9
341.14853	0.3
342.07001	0.7
417.15543	0.4
422.18039	0.3
435.12085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74168	0.4
53.81483	0.4
57.03453	0.6
59.01374	12.9
61.98824	2.3
71.01370	3.4
73.02934	1.2
74.48032	0.5
75.00871	0.5
79.95733	4.7
83.01388	0.5
85.02943	1.5
87.00867	0.6
89.02450	1.8
93.02945	0.4
93.03442	2.6
95.95235	2.0
96.96008	100.0
98.20635	1.1
99.00916	0.4
101.02451	1.6
108.02161	8.3
109.02952	9.3
113.02438	1.3
113.06104	0.4
123.00875	0.8
123.04527	0.5
128.39297	0.4
130.47586	0.4
135.00899	0.5
136.01630	0.6
137.02432	5.3
140.28992	0.4
151.00374	1.0
151.04066	0.4
152.01141	11.2
153.01932	10.8
161.02455	0.5
165.01930	5.3
166.02692	1.0
176.04794	0.4
179.03514	2.1
179.05666	0.7
179.24742	0.3
180.04286	3.0
181.05008	1.2
189.34319	0.5
194.05836	0.5
194.98296	0.4
195.06624	5.2
209.08151	0.9
210.05409	0.4
225.07637	3.8
227.03462	0.5
242.02187	0.5
255.15923	0.9
271.02554	0.6
273.11612	2.6
281.06689	1.1
285.04092	1.5
297.04028	0.6
306.92554	0.4
315.07330	1.2
327.08682	0.6
342.11154	0.8
357.09753	0.5
357.13443	2.0
359.07620	1.1
387.14429	1.3
391.10440	1.7
435.09509	13.9
435.16953	77.0
436.09698	1.6
436.17282	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71457	0.5
51.71287	0.4
55.72698	0.4
57.03450	0.5
59.01381	6.8
60.01702	0.7
61.01814	0.6
61.98827	100.0
69.25554	3.6
71.01385	1.4
73.02949	0.4
79.95774	0.5
89.02483	0.8
95.05017	0.4
96.96016	1.5
98.20659	1.0
101.02451	0.8
102.05218	0.5
109.02940	0.6
113.02438	0.8
119.05042	0.5
119.71062	0.5
125.02493	0.7
138.05569	0.6
147.63216	0.4
164.07213	0.5
164.39995	0.5
182.00458	1.0
187.07635	0.7
202.02715	0.7
220.06139	1.1
225.53365	0.4
238.10896	1.5
257.08246	0.9
301.03412	0.5
315.08936	0.6
316.09131	1.5
349.03757	1.1
376.07715	0.8
400.16302	0.8
436.12668	1.7
437.05161	0.5
437.10651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01096	0.7
59.01375	8.1
61.98824	4.9
70.97558	0.6
71.01374	2.2
73.02934	0.5
79.95732	45.6
80.96498	0.8
83.01402	1.0
85.02936	1.0
89.02434	0.7
95.01390	0.4
96.96003	6.0
99.00877	0.6
101.02450	1.0
102.98614	0.7
104.98164	1.2
108.02164	1.2
109.02951	2.0
113.02466	1.1
117.62125	0.4
119.03584	0.4
121.02940	3.2
122.03757	2.2
123.00868	1.2
123.04510	1.0
124.01640	1.1
125.02459	0.6
134.03732	1.1
135.04527	0.9
136.01653	39.6
137.02499	5.0
138.03207	0.6
143.10750	1.0
149.02318	0.4
149.06107	0.8
151.03998	58.0
152.04324	1.8
159.04536	0.9
160.05324	1.1
161.02463	1.0
161.04541	0.6
162.03166	2.4
163.04001	4.9
170.59319	0.4
175.03995	1.4
175.07564	0.8
177.01939	0.5
177.05556	2.0
179.03487	2.1
183.10278	1.2
187.04010	0.6
189.05531	0.6
191.07137	0.4
193.04974	0.6
196.47826	0.8
203.98990	0.8
243.96805	1.3
312.99844	0.5
327.08676	1.1
342.11032	19.1
343.11530	2.0
357.13409	20.4
358.13803	2.1
388.60190	0.5
422.07034	0.6
436.26266	1.0
437.09073	100.0
438.09375	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
58.75304	0.5
59.01371	5.0
61.98824	4.3
69.03438	0.8
69.29855	5.3
71.01358	2.4
75.00865	0.6
79.95736	26.7
80.96518	3.1
83.01384	46.1
84.01653	0.7
85.02949	1.2
87.85738	0.6
89.02425	1.1
90.88315	0.6
93.03426	0.8
95.59008	0.5
96.96001	6.0
101.02418	1.1
109.03001	0.9
110.02402	0.7
113.02433	1.2
117.03474	0.8
118.40368	0.6
121.02957	6.2
122.03741	8.6
123.00868	0.8
123.04532	5.2
125.02423	0.7
136.05266	2.5
137.02432	1.8
137.06073	8.8
143.10719	0.8
145.02919	3.2
146.03302	1.5
147.04579	3.4
149.02303	0.7
151.04050	0.6
161.06035	2.1
162.06830	1.1
168.04308	0.8
191.07169	0.7
201.14958	0.8
209.08173	1.6
221.08232	4.6
259.43591	0.7
279.39777	0.6
285.04059	3.1
286.04285	1.9
287.04398	1.2
288.04636	1.0
289.07245	0.8
298.12064	1.2
313.14432	1.1
342.10986	6.2
343.11353	1.0
357.13373	25.9
358.14114	1.1
401.12378	0.8
436.61026	1.1
437.09073	100.0
437.22031	2.5
438.09390	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	437.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.3
59.01372	100.0
61.98824	73.8
71.01370	85.6
71.61313	6.0
72.99290	12.7
73.02946	38.4
73.96266	6.2
79.95732	7.0
83.01358	9.1
85.02937	37.5
87.00850	8.7
89.02441	49.5
89.12501	5.4
95.01363	9.4
95.17557	6.2
96.96017	66.0
97.15480	6.7
99.00859	19.7
101.02433	72.0
109.02935	10.8
113.02410	32.7
119.03489	18.3
120.99644	22.7
123.04500	7.0
124.60577	6.3
125.02415	17.4
131.03506	10.8
137.02454	8.4
143.03534	6.2
149.04556	14.9
151.03935	7.4
159.02982	5.7
161.04558	33.5
161.05684	6.6
163.77522	6.1
165.01913	9.5
165.05565	8.3
167.03482	7.0
169.01363	10.5
175.57974	6.1
195.06593	7.9
203.10680	12.5
221.11743	12.7
231.77042	7.5
239.09201	12.1
247.08159	7.2
255.11429	11.1
271.04568	21.0
274.01151	7.5
289.07184	7.4
305.16074	65.7
316.44586	7.9
326.58624	6.3
337.15839	6.6
377.18182	6.5
383.16992	15.4
384.02835	6.9
401.14377	46.6
402.14993	8.2
428.62509	7.0
437.10864	56.9
437.16742	14.5
437.20947	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	437.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78033	10.7
59.01365	41.3
61.98824	47.0
64.31881	10.7
69.29072	42.1
69.29506	52.9
71.01379	20.7
73.02928	13.9
78.11951	11.7
78.48956	9.2
82.88367	11.3
89.02445	16.5
96.95992	33.8
98.19791	17.8
99.00894	11.2
99.80267	11.3
101.02432	15.0
109.02945	13.5
120.99580	12.8
134.22461	9.9
140.06088	9.6
167.03519	15.3
169.58586	10.8
180.54947	10.1
181.05077	12.1
186.48479	9.6
187.53233	9.8
233.85936	11.0
257.98788	11.1
283.66800	10.7
331.45486	11.2
343.08981	18.4
347.07635	21.6
379.57434	11.4
381.15125	10.4
437.11386	100.0
437.17307	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58837	2.3
57.03450	3.6
59.01376	32.5
59.32477	2.4
60.84877	2.2
61.98815	7.4
69.48016	20.5
71.01379	23.0
72.99284	3.1
73.02946	5.3
74.99097	2.8
79.95732	2.8
80.82377	2.5
83.01360	4.6
85.02935	7.4
87.00873	5.7
89.02425	13.4
92.20105	2.4
93.03394	3.1
96.95999	15.5
99.00899	3.3
101.02426	9.9
109.02937	5.6
113.02434	9.1
113.06081	4.2
113.94455	3.0
115.07620	3.6
119.03497	3.0
120.99655	7.6
123.00855	3.8
123.04494	3.9
123.68526	2.3
124.01626	3.8
125.02428	18.6
137.02435	5.0
139.04033	3.8
140.01137	2.6
146.25363	2.6
149.02437	5.0
151.00391	2.9
153.01903	7.6
161.04570	4.9
167.03473	6.3
169.01427	3.4
179.05603	5.9
179.07082	5.3
201.11305	6.6
239.05402	4.4
251.74176	2.7
289.07050	4.1
293.08676	5.4
301.03180	4.3
323.13483	4.2
341.10983	6.8
347.07721	6.9
347.83701	3.4
370.59222	9.9
401.14294	3.5
408.47620	2.8
436.61230	6.2
437.10748	21.0
437.15778	100.0
438.16122	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	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.0
59.01380	44.9
61.98822	10.0
69.59685	31.3
71.01374	27.1
73.02946	4.3
75.72179	3.9
79.95731	5.7
83.01410	5.7
85.02919	5.6
87.00876	10.4
89.02434	19.3
96.96012	19.5
99.00911	4.5
101.02427	16.7
109.02906	5.3
113.02440	12.3
113.06099	8.6
119.03500	5.6
120.99639	8.3
123.04470	9.6
124.01691	5.3
125.02459	22.8
126.23147	5.6
136.99120	5.0
138.05655	6.1
151.00391	5.6
164.04764	8.0
174.90871	4.8
293.08789	5.6
341.10901	7.7
347.07654	10.0
370.59119	9.7
401.14362	5.6
419.14456	4.7
436.61511	6.5
437.10858	20.1
437.15915	100.0
438.16217	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	437.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06430	1.1
57.60533	1.4
59.01374	6.1
66.12930	1.6
69.55039	8.7
71.01382	3.4
85.02956	2.2
89.02457	2.7
93.03439	1.5
96.96008	4.5
97.48958	1.3
98.19886	2.8
99.00870	1.6
101.02422	2.0
109.02971	3.1
119.01350	1.8
119.03500	1.4
135.00877	2.9
136.01614	4.0
137.02431	19.3
143.53152	1.3
147.00945	1.4
148.01685	1.4
151.03993	3.8
164.01089	4.2
165.01913	100.0
166.02281	4.1
179.03471	56.9
180.04265	58.7
181.04942	8.8
182.05763	2.2
183.70850	1.4
193.08711	2.4
194.05827	11.1
195.02998	3.1
195.06599	85.9
196.07295	11.5
197.08141	2.4
206.89600	1.2
210.05302	14.7
211.09732	9.8
212.07025	2.3
225.07651	70.1
226.08034	3.3
227.09286	2.7
331.11743	2.6
359.11340	28.5
360.11652	2.4
374.13571	16.6
375.13931	1.8
389.16034	91.0
390.16318	8.1
437.23740	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34850	0.7
55.01878	5.2
55.67283	0.5
57.03453	4.1
58.00582	1.5
59.01376	26.6
61.98837	0.7
67.32246	0.5
69.03456	1.5
71.01377	50.9
72.99300	2.5
73.02940	28.4
75.00886	0.9
81.03440	1.3
83.01378	11.3
85.02942	27.8
86.00082	1.8
87.00863	3.5
89.02438	12.1
94.98013	0.7
95.01363	3.2
96.96012	5.0
97.02940	1.9
99.00874	10.9
101.02438	49.6
102.02779	1.0
111.00873	2.0
113.02443	18.1
115.03989	1.4
125.02418	3.3
129.01897	1.2
131.03496	2.4
143.03487	2.6
145.56174	0.6
149.04532	1.2
159.02971	4.5
161.04550	14.9
205.03581	0.6
218.69180	0.7
233.06613	4.1
278.23233	0.6
293.08838	1.4
305.19659	77.0
306.19977	4.8
313.96246	0.7
349.18729	1.0
437.23868	100.0
438.24164	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	438.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74450	0.3
52.76296	0.3
59.01382	0.7
61.98824	100.0
65.37318	0.3
70.91874	0.9
78.95894	0.8
84.92095	0.3
89.02441	0.3
96.96007	13.3
96.96976	1.1
147.27545	0.3
177.01743	0.3
209.65712	0.3
279.47293	0.3
438.16495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98827	100.0
62.98532	0.3
71.01395	0.6
71.61764	0.5
79.95730	2.8
80.48756	0.2
95.95253	1.2
96.96006	19.1
97.89191	0.3
105.69552	0.3
108.04553	1.5
137.02423	0.4
142.09534	0.3
150.05597	1.0
179.03558	0.3
188.55989	0.2
191.46040	0.3
205.07718	0.5
233.07297	0.7
285.97583	0.4
300.99817	0.6
313.97034	2.9
321.17480	0.3
328.99347	5.4
329.03244	0.3
344.01697	4.6
358.02719	0.7
359.04044	9.2
409.22586	4.7
438.21927	0.6
439.11136	0.9
439.23691	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	438.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01317	1.5
61.98740	4.1
61.99078	1.2
64.88928	0.6
69.99968	3.0
71.94283	0.6
77.74998	0.7
78.51810	0.6
79.95633	2.2
81.01339	0.7
86.81332	0.6
95.95124	1.9
96.96008	14.7
116.55540	0.7
126.84424	0.6
169.07504	0.6
181.00172	0.6
181.11398	0.8
184.14635	0.8
213.62903	0.6
229.98564	0.6
245.00502	0.6
285.00458	0.7
285.97580	7.6
300.99872	3.6
313.97015	32.7
314.97418	2.4
328.99356	63.6
329.99686	4.1
343.01199	0.9
344.01697	50.2
345.01953	4.0
359.04053	100.0
360.04391	9.2
409.22626	4.6
438.22302	2.2
439.00043	1.7
439.23730	26.0
440.23956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85733	0.6
59.01372	0.8
65.30178	0.5
65.38221	0.6
71.35802	0.9
83.02176	0.4
83.84624	0.4
96.96015	2.9
108.98418	0.5
141.02525	0.5
270.98831	0.5
273.00101	0.5
285.97549	8.4
286.97958	0.5
298.98233	0.6
300.99893	7.5
313.97009	40.9
314.97339	2.9
318.58780	0.4
328.99344	62.4
329.99677	3.4
344.01685	61.0
345.01968	4.5
359.04041	100.0
360.04391	8.2
438.99881	2.5
439.23401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34786	0.2
70.49342	0.8
78.44801	0.2
78.95895	3.8
79.95726	1.8
92.94326	0.3
96.96006	100.0
96.96909	9.0
101.55445	0.3
123.54486	0.2
225.88614	0.3
289.64893	0.2
289.76724	0.3
428.22910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
60.91864	0.2
61.98824	0.4
69.32716	2.2
78.95896	4.5
79.95724	2.2
94.57578	0.2
96.96008	100.0
96.96912	9.2
97.95924	0.3
98.20270	1.1
100.67162	0.3
104.29607	0.3
143.17299	0.2
153.97467	0.2
165.01949	0.2
172.36398	0.2
199.09189	0.2
215.68906	0.2
327.00018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34258	0.2
50.42433	0.2
51.00277	0.2
67.45098	0.2
69.33781	1.8
70.56812	0.2
76.37784	0.2
78.95893	3.5
79.95734	2.5
96.96005	100.0
96.96904	7.7
97.95950	0.5
109.04328	0.2
127.54141	0.3
271.23425	0.2
326.58798	0.3
402.99271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68024	0.4
59.01374	10.4
61.98851	1.4
67.01892	0.7
68.99827	0.5
69.03453	0.7
69.24244	2.4
69.24670	2.0
71.01376	9.8
71.61852	0.5
72.99291	0.6
73.02954	1.6
79.01905	0.9
79.95733	6.5
80.96516	1.4
83.01405	1.5
85.02960	1.7
87.00867	1.2
89.02434	6.5
91.51469	0.5
95.01376	1.2
96.96008	7.8
96.99321	0.5
97.02975	2.4
99.00890	1.2
101.02438	5.1
101.15566	0.5
107.01381	9.2
108.02202	1.1
109.02959	2.8
111.00854	1.3
113.02418	3.2
119.03493	1.1
123.00879	7.6
123.04539	0.7
124.01682	1.5
125.02439	65.8
126.02767	1.5
131.03496	2.0
136.98883	0.9
137.02423	1.3
139.00380	3.4
140.01166	2.3
141.01947	0.6
149.02428	0.4
149.04541	4.0
150.03229	1.0
151.00381	6.9
152.01111	0.9
153.01949	0.7
159.04521	0.9
161.02318	0.5
161.04576	0.8
165.01894	0.8
165.05568	1.6
167.03493	0.5
168.00569	2.9
169.01410	88.0
170.01721	2.8
173.05972	0.7
179.05609	1.6
191.05608	0.6
195.06590	2.2
195.08273	0.5
210.86626	0.5
211.02487	1.6
223.02386	0.6
241.03230	3.3
241.05577	0.7
247.11887	0.6
253.03171	0.6
255.06538	0.8
278.05936	0.5
299.09152	0.6
313.05615	19.0
313.09439	0.9
313.10919	0.8
314.05820	0.8
344.12576	3.7
359.15027	2.7
379.16089	7.5
439.08762	100.0
440.09085	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	439.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02052	0.1
59.01361	0.8
61.22868	0.2
61.98828	0.7
63.15466	0.2
66.91570	0.2
70.43704	0.3
71.01391	0.3
79.95733	9.5
80.96499	0.6
81.95302	0.3
85.02959	0.2
88.73835	0.2
93.03470	0.3
95.95226	0.6
96.96006	100.0
97.95923	0.2
108.02145	0.2
109.02982	0.2
110.97556	0.9
111.57355	0.2
119.04993	0.2
121.02955	0.9
125.02449	0.4
135.04521	0.3
136.01646	1.1
136.02582	0.2
137.02466	1.1
137.03358	0.2
151.04012	1.8
152.04318	0.3
161.13843	0.2
163.03996	0.4
177.05600	0.3
240.04314	0.2
258.02026	0.3
259.02905	0.2
262.64630	0.2
269.08130	1.9
275.01761	0.4
277.12021	0.2
281.08160	0.3
283.09671	0.3
285.97614	0.4
299.09229	1.6
300.99902	0.7
311.09470	0.2
313.97119	1.2
314.11633	2.3
315.12054	0.3
328.99295	1.6
329.13989	0.8
340.81985	0.2
341.13943	0.2
344.01639	1.8
344.12589	0.7
359.04102	3.0
359.14774	0.4
381.51862	0.3
389.09167	0.2
390.52545	1.0
391.02631	0.3
439.10745	38.4
440.11172	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	439.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53086	0.3
52.56646	0.3
59.12842	0.3
68.48095	0.4
69.34988	2.2
69.35402	0.8
73.50759	0.3
79.95729	14.0
80.96510	1.0
96.95995	2.4
103.75439	0.4
119.86906	0.3
121.02952	4.3
135.04520	0.5
145.02951	0.8
147.04512	2.2
159.04527	0.9
192.07947	0.7
196.05241	0.5
212.04819	0.6
239.10683	0.5
240.04254	1.2
241.08740	1.0
251.07060	1.0
252.04323	0.6
253.08755	0.4
254.05722	0.7
255.10303	1.9
265.08643	0.5
266.05890	0.5
269.08173	23.9
270.08499	2.1
270.12634	0.4
271.09641	1.7
281.08148	3.0
282.08661	0.4
283.09738	8.9
284.10217	0.6
295.09689	1.2
296.10538	0.9
298.11923	1.2
299.09216	16.8
300.09540	1.2
309.11276	0.6
310.12100	0.6
311.09241	19.7
312.09500	1.6
314.11572	28.5
315.11838	2.2
325.10742	1.4
326.11554	16.2
326.15524	0.8
327.11826	1.2
329.13910	42.8
330.14258	4.5
341.13910	17.0
342.14233	1.4
362.85580	0.4
409.09573	6.2
410.09875	0.8
439.10626	100.0
440.10941	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	439.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08800	0.4
59.01373	1.1
60.41290	0.4
71.36628	0.6
74.99091	0.5
79.95733	46.4
80.96508	11.7
87.45492	0.4
95.51511	0.4
96.95998	4.0
101.02407	0.5
108.02149	0.9
109.02220	0.6
109.02944	12.8
113.02465	0.4
120.99622	0.6
123.04549	0.9
125.02383	0.7
137.02409	0.5
158.03679	0.6
159.04500	5.9
161.06088	0.6
171.04382	0.5
171.27451	0.4
173.06058	4.9
185.06067	0.5
189.05585	4.9
190.06357	0.4
191.07124	3.1
203.07108	2.5
205.08789	0.4
213.05595	1.0
225.05565	0.8
240.04291	1.9
241.05028	10.5
242.05470	0.6
248.65312	0.4
255.06612	7.6
265.08987	0.5
267.06577	0.8
269.08160	1.8
281.08130	0.8
283.09763	0.7
289.07132	0.6
295.09668	0.6
296.10464	0.6
298.08505	1.0
299.09201	6.5
300.09485	0.6
313.10776	9.8
314.10977	0.6
327.12161	0.9
329.10315	4.0
330.10776	0.5
343.11801	2.7
344.12598	33.4
345.12918	2.8
359.14957	24.5
360.15445	2.1
424.08319	0.8
439.10635	100.0
440.10992	9.8
448.90244	0.5
456.60178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48622	0.3
59.01363	0.6
59.34990	0.3
69.28663	2.5
78.53627	0.3
79.95731	18.8
95.95229	0.6
96.96003	100.0
109.02958	0.6
110.97578	2.7
119.52279	0.3
120.99624	0.7
125.02445	0.5
136.99106	0.6
141.95775	0.7
156.08560	0.3
167.00195	1.2
173.06030	0.4
241.05144	0.3
246.12144	0.3
275.02057	0.4
285.04492	1.0
299.09512	0.4
300.99942	0.5
313.10971	0.4
329.10428	0.8
344.12659	0.4
390.52600	0.7
393.07135	0.3
401.07565	0.4
421.11792	0.3
424.08203	1.9
439.10965	50.4
440.11267	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	439.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52921	1.4
57.67803	1.6
59.01376	15.5
61.98820	6.5
69.94590	7.5
71.01377	14.6
73.02931	3.0
73.37327	1.5
74.99075	1.8
75.00858	1.7
79.95737	42.8
80.96511	8.9
85.02952	4.1
87.00868	5.2
88.98815	3.6
89.02442	11.9
90.98606	2.1
92.90262	1.3
93.03429	1.8
95.95236	1.7
96.96008	97.5
97.06573	1.5
98.95584	4.9
101.02435	9.1
109.02947	11.2
110.97579	2.6
113.02445	5.8
118.98042	3.1
119.03486	4.2
120.01276	1.6
120.99761	1.7
122.03723	4.8
123.00890	2.0
125.02437	5.6
129.07144	1.4
131.03458	2.2
133.05063	25.3
137.02390	2.2
147.06645	1.7
149.02371	7.6
150.03226	34.1
151.03928	3.2
159.04518	3.7
161.04590	3.3
165.01917	10.4
165.05559	37.6
169.01372	3.8
173.06090	4.0
179.05557	6.4
180.04268	10.7
189.05548	2.9
191.07170	2.4
195.06615	54.2
196.07057	2.2
203.07095	1.7
231.35565	1.6
241.05064	7.3
255.06598	3.6
256.12009	1.7
269.08173	1.6
299.09262	6.1
300.99832	3.8
307.17603	3.6
313.10715	5.3
322.37686	1.8
329.10233	2.2
344.12579	24.5
345.12949	1.8
359.15005	17.9
390.52744	3.2
403.12512	4.7
403.19644	10.2
424.07697	2.2
439.10574	100.0
439.17322	55.8
440.10989	10.1
440.17667	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	439.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79206	2.1
59.01377	13.4
61.98823	3.5
67.13002	1.9
71.01360	6.1
71.58675	2.0
71.59147	3.3
74.99106	4.9
75.00865	2.5
79.95727	15.4
85.02930	4.6
86.49583	2.1
87.00839	2.6
87.20060	2.2
89.02425	4.2
93.03438	5.5
96.96002	100.0
97.02970	2.1
98.95531	3.2
101.02423	6.7
109.02928	2.8
110.97537	4.4
111.00935	2.2
113.02428	5.9
120.99647	62.6
123.04418	2.4
125.02457	10.4
132.04538	9.0
134.02457	3.3
136.07668	6.2
136.99136	2.6
137.02475	3.2
146.69157	2.9
151.00374	2.7
169.01416	4.9
173.04497	5.7
176.03514	3.1
190.52225	2.2
201.01901	2.7
230.11824	9.0
239.15662	2.4
255.11304	5.4
273.12378	10.3
300.99887	5.5
307.17404	3.8
317.11377	28.8
318.11707	2.7
333.08972	5.8
338.12808	2.7
390.47894	2.5
390.52737	10.1
391.02597	3.6
403.19666	3.3
439.10916	59.5
439.17288	35.0
440.11185	4.2
440.17142	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03438	1.5
59.01376	29.3
61.98831	3.5
69.03432	1.3
71.01381	23.2
71.05022	1.7
71.58401	1.0
72.93479	0.7
72.99301	1.7
73.02946	6.7
74.99078	1.9
75.00873	1.5
79.95737	7.7
80.96515	2.0
81.99296	0.6
83.01388	2.7
83.05034	0.9
85.02943	7.9
87.00878	3.2
89.02441	100.0
90.60000	0.7
95.01383	3.2
96.96008	42.1
97.02918	1.5
99.00880	2.7
101.02436	16.0
101.06070	5.3
107.01396	2.1
109.02935	4.7
111.00918	1.3
113.02452	12.8
117.03504	0.8
118.98080	1.1
119.03501	5.4
119.05022	1.0
122.03713	1.0
123.00861	3.6
123.04478	1.0
123.64256	0.7
124.01656	1.0
125.02441	23.4
126.02715	0.7
131.03482	2.4
133.05064	6.3
133.06581	1.0
134.97763	0.7
135.04521	1.5
136.99095	1.4
137.02451	2.2
139.00432	1.2
140.01135	1.5
143.03465	2.6
149.02458	3.7
150.03198	7.5
151.00349	2.4
151.04039	0.9
153.02037	0.9
159.02956	1.2
159.04555	1.1
161.02477	1.1
161.04564	11.3
163.04012	0.8
163.06082	2.2
165.01909	5.0
165.05550	8.6
168.00647	1.5
169.01407	16.6
179.05603	9.4
180.04305	4.8
189.11325	1.7
191.07137	1.2
195.06610	14.4
241.05055	2.3
243.08920	1.0
247.11829	1.9
249.06139	1.0
255.06561	1.3
263.11313	17.7
287.07587	1.0
313.05618	3.8
313.10867	1.7
329.10248	0.9
331.12027	1.0
335.13593	1.2
344.12573	4.4
349.11398	0.7
359.15030	3.3
379.16162	2.6
391.14093	2.4
403.12402	24.9
403.17368	1.6
404.12915	2.4
439.09793	24.8
439.17529	7.0
440.10199	2.6
440.17850	0.8
457.55566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.237
Annotation	Spinanine A
Peak:m/z	Relative Intensity
53.61369	0.4
59.01376	2.6
59.21017	0.3
61.98820	1.4
71.01372	1.2
73.02950	0.4
79.95735	14.3
80.96508	0.9
85.02966	0.6
87.02625	0.4
95.95224	10.8
96.96008	55.0
97.06573	0.4
101.02468	0.6
106.40917	0.4
113.02451	0.4
118.06819	0.4
123.04603	0.3
123.08138	0.6
125.02428	1.0
137.02451	0.9
145.02995	0.4
146.06088	0.6
147.04495	0.4
161.02415	0.5
163.04086	0.4
165.02167	0.5
169.01414	0.3
171.70914	0.4
179.03787	0.6
190.02853	0.4
203.03778	0.4
207.06949	1.4
221.08635	0.5
228.08516	0.5
242.10277	0.5
251.09552	0.5
256.11639	0.3
265.99789	0.4
275.01999	0.9
281.10638	0.6
287.05896	0.4
300.99954	1.0
301.06903	0.3
313.97238	1.3
328.99292	2.1
329.99796	0.4
344.01749	1.6
359.04102	2.5
376.02493	0.4
390.52600	1.7
391.02908	0.8
391.21796	0.7
395.21762	0.4
409.22610	3.7
439.23743	100.0
440.18274	0.7
440.24060	8.7
456.66159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.122
Annotation	Cx-SAM
Peak:m/z	Relative Intensity
58.96634	0.4
63.80116	0.4
69.44463	2.7
75.03144	0.4
79.95736	28.0
80.96516	2.1
91.68802	0.4
93.03468	0.5
98.19948	0.9
105.19980	0.4
107.91086	0.4
108.78796	0.4
109.02951	2.9
121.02945	7.2
122.03753	6.4
123.04540	0.7
135.04514	1.0
136.05299	0.8
137.02446	0.7
147.04535	3.2
149.06081	0.8
154.02649	0.5
161.06042	0.9
163.03957	0.5
165.05560	13.4
166.05876	0.8
179.07115	3.7
211.98962	0.4
298.12363	0.4
315.12314	1.2
343.15735	0.5
346.14227	5.3
347.14743	0.5
361.16525	20.5
362.16751	1.9
421.92450	0.4
426.09442	0.4
441.12213	100.0
442.12546	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	441.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23642	1.0
56.55216	0.9
56.63763	0.8
56.95347	0.9
59.01373	7.8
69.48232	4.6
69.48642	2.0
71.01375	7.6
79.95734	35.1
80.96513	2.0
85.02930	1.2
89.02439	5.3
93.03452	2.4
95.95217	2.0
96.96002	8.2
98.19846	0.9
101.02415	3.2
109.02936	2.6
110.97483	1.1
112.06120	0.8
113.02416	2.7
117.03429	3.8
119.03540	1.4
119.05019	30.2
121.02949	9.3
122.03729	7.5
123.04562	1.0
124.90340	1.0
125.02416	1.0
131.83835	0.9
132.05771	2.8
133.02834	1.0
133.06587	10.4
134.03732	0.9
135.04501	1.7
137.02374	1.0
145.01860	1.6
145.02942	21.8
146.03343	0.9
147.04517	12.8
149.06018	1.9
153.01874	0.9
159.04567	1.2
161.06068	27.7
162.06329	1.2
163.04002	42.1
164.04417	1.3
165.05559	13.5
167.00203	4.2
177.05551	14.6
179.07146	4.7
187.04074	1.1
205.05040	31.1
206.05389	2.1
216.97060	1.0
235.06125	5.5
255.68111	0.8
256.40945	1.1
260.58047	0.9
265.07144	13.0
295.10352	18.8
315.12061	1.2
325.09021	1.2
346.14166	4.7
361.16504	21.3
362.17163	1.5
441.13034	100.0
442.13367	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	441.1708
Annotation	Perrottetin F
Peak:m/z	Relative Intensity
57.60332	4.4
59.01377	66.6
60.59583	4.5
61.98826	58.3
69.53970	29.5
71.01371	44.9
73.02942	14.2
76.08929	4.2
79.95757	6.7
82.95419	7.9
83.01384	15.2
83.04982	4.5
85.02939	14.6
89.02428	25.0
92.27994	4.9
95.82635	4.1
96.95987	21.8
97.02931	11.3
98.19936	9.6
99.00862	5.7
101.02451	48.6
108.45223	4.2
109.02899	8.4
113.02457	17.2
114.38852	4.7
119.03461	6.0
120.99645	4.6
123.00864	6.8
124.58765	4.8
125.02444	16.5
137.02460	5.3
138.03137	5.0
159.02982	8.2
161.04544	10.5
165.01736	4.9
191.07230	5.5
228.93124	4.4
235.11815	55.7
381.17581	100.0
382.17841	7.9
403.19690	6.3
441.10342	27.4
441.17603	97.8
442.18417	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	441.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
59.01098	6.6
59.01378	72.6
61.98828	87.1
71.01386	47.9
71.60993	3.9
72.99322	4.6
73.02942	19.7
74.87848	2.8
75.00874	4.0
79.95730	6.1
81.03434	4.1
81.69012	2.9
81.95290	4.5
83.01387	14.0
83.05009	4.9
85.02962	19.9
85.38436	3.0
87.00884	4.6
89.02443	23.4
96.96016	14.7
97.02940	5.6
98.95631	6.8
99.00874	7.4
101.02441	45.5
101.06080	4.5
109.02946	8.0
111.00916	5.7
113.02429	20.3
118.70056	2.7
119.03520	3.3
120.99648	5.7
123.00893	8.4
125.02436	32.0
126.02785	7.1
131.03467	4.2
137.02420	19.7
138.03255	7.4
143.03494	3.0
145.06277	3.7
151.00340	5.9
152.01138	8.5
152.77322	3.5
161.02440	4.2
161.04541	15.1
169.01427	29.5
170.01772	7.7
171.01863	5.3
191.07140	7.2
217.08636	9.5
235.09549	2.9
235.11844	57.9
271.04782	4.2
293.08609	3.6
313.05701	4.9
315.06296	5.1
344.12427	5.7
381.17581	100.0
382.17856	9.8
397.11285	4.0
404.53625	3.2
407.43954	3.0
441.09668	70.3
441.19083	44.5
442.10309	3.9
442.19083	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	441.1894
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
59.01369	10.7
61.98834	16.6
64.56146	3.1
68.23942	2.6
71.01373	7.6
71.13152	5.3
85.02973	4.2
96.96012	17.0
98.95609	6.8
101.02453	4.8
123.04468	3.0
125.02438	4.9
129.32835	2.9
135.00734	2.6
151.04086	3.0
161.04669	3.5
198.30907	2.9
205.08725	3.3
441.19073	100.0
442.19415	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	441.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.24513	1.1
57.03452	1.8
58.00584	1.4
59.01376	77.6
61.20073	1.1
61.98817	3.4
71.01376	29.5
71.05013	1.2
72.99296	1.5
73.02948	14.7
74.99086	1.2
79.95744	2.5
81.95345	1.4
83.01401	6.9
85.02943	16.3
87.00873	3.2
89.02441	4.9
95.01369	1.3
96.95988	7.4
97.02962	2.2
97.49625	1.0
98.95586	4.3
99.00895	5.9
101.02439	36.8
101.06083	1.3
106.06928	1.2
109.02946	2.3
111.00927	1.4
113.02435	13.5
119.03516	1.6
120.99654	2.8
123.00890	4.2
125.02438	7.9
127.03996	1.6
131.03496	37.2
132.03806	1.5
143.03481	1.8
159.02994	2.3
161.04527	11.4
169.01439	10.5
177.01854	1.9
249.13411	100.0
250.13637	5.8
381.17636	40.5
381.22598	1.5
382.17990	2.9
441.10367	21.8
441.17087	12.5
442.11044	1.6
454.42603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
57.03439	3.0
58.02613	0.9
59.01374	83.7
61.98804	4.1
62.04858	0.9
69.53088	6.1
71.01373	31.3
72.01727	1.1
72.57355	0.9
72.99289	1.9
73.02937	12.2
75.00834	1.2
79.95729	3.9
80.96499	1.2
81.95323	2.5
82.95406	6.4
83.01379	7.3
85.02946	17.9
87.00887	2.1
89.02435	6.1
94.51170	1.1
95.01376	2.6
96.95998	4.7
97.02917	1.7
98.19884	1.7
99.00867	6.1
101.02431	39.1
101.06077	1.1
109.02927	3.0
111.00909	1.4
113.02431	14.7
119.03506	2.3
120.99643	1.5
121.13757	1.1
123.00871	1.8
123.04460	2.3
124.01684	1.1
125.02442	7.4
127.03951	1.4
131.03491	43.5
143.03484	1.6
159.02985	3.0
159.04518	1.1
161.04550	12.3
169.01389	6.1
179.05594	7.4
189.05460	1.0
249.13397	100.0
250.13655	5.7
309.18011	1.7
313.05640	4.3
344.12662	1.6
346.12967	1.6
359.15036	1.7
381.17639	35.2
382.18030	3.1
403.19632	1.9
420.98834	1.3
441.10413	20.1
441.17166	2.3
441.22586	1.6
442.10248	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	441.3372
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
50.63853	0.2
55.01858	0.3
57.03441	0.3
59.01378	0.3
61.98822	0.4
69.03443	0.7
70.85333	0.6
71.05035	1.5
73.26680	0.2
75.05843	0.2
80.73522	0.2
81.33221	0.2
85.06584	0.3
94.64722	0.2
95.05023	0.2
96.96004	0.6
97.06585	2.2
97.19841	0.2
103.33797	0.2
103.34511	0.2
111.08152	2.1
121.06584	0.2
123.08135	0.2
125.09724	0.2
133.06580	0.3
135.08173	0.3
137.09737	0.5
137.54968	0.2
139.11313	0.2
163.11258	0.7
166.91486	0.2
175.11292	0.2
189.12836	7.3
190.13211	0.3
191.14401	13.1
192.14662	0.6
203.14505	0.3
205.12263	0.4
235.13396	0.6
249.18645	0.3
273.18567	1.3
289.21719	1.0
303.71808	0.2
329.24612	0.3
337.22220	0.3
339.23260	0.3
367.26334	0.7
375.26874	0.7
379.31955	0.3
389.28836	0.3
391.26370	0.2
393.27948	0.4
395.29575	0.4
403.30060	0.8
405.31955	1.1
407.29300	1.4
419.29007	0.3
421.31201	3.5
422.31503	0.3
423.32645	11.9
424.33020	1.6
439.32101	2.2
440.32019	0.3
441.33655	100.0
442.33987	13.5
453.30325	0.3
455.31445	0.2
459.34958	0.3
467.31650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44127	0.5
59.01383	7.3
61.98829	100.0
71.01382	3.8
71.59122	0.5
72.01731	0.5
75.00869	0.8
79.95759	0.5
85.02963	1.4
87.00858	0.5
89.02446	3.3
91.02847	0.5
95.01429	0.8
96.96020	2.2
101.02438	3.1
108.02200	0.8
109.02974	1.1
111.04565	0.4
113.02473	1.4
119.03487	0.9
121.02955	0.9
123.00873	1.1
123.04568	0.7
125.02455	1.8
131.03558	0.6
150.03253	0.7
152.01103	0.9
153.01988	0.6
163.38213	0.5
164.03481	0.5
165.05566	1.2
167.03470	0.9
169.01436	1.7
179.05719	0.7
184.18729	0.5
195.06648	0.5
196.63573	0.5
211.02512	0.6
217.46021	0.5
248.12227	0.5
271.04623	0.9
382.17822	1.3
398.12421	0.6
404.12662	0.8
442.10617	1.1
442.13455	1.4
442.19351	1.3
443.06519	1.1
443.11978	3.3
443.19879	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	443.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09302	0.7
55.00376	0.8
59.01375	9.6
62.89571	0.7
69.55587	5.6
71.01380	7.1
73.02938	0.9
79.95744	0.9
85.02947	1.3
89.02450	2.9
92.02682	1.5
93.03450	39.9
94.03762	0.9
95.01374	1.5
96.09594	0.8
96.96003	1.0
98.19882	1.4
101.02448	3.6
107.05023	1.6
108.02171	2.1
108.67004	0.7
109.02949	0.6
113.02434	2.4
113.95474	0.8
118.27867	0.6
119.03526	0.9
119.05017	0.8
121.02983	1.7
123.04500	1.4
125.02385	0.7
132.29161	0.7
135.04517	3.4
136.00580	1.4
136.01640	21.2
137.02435	100.0
138.02805	2.0
149.02444	2.7
151.03990	10.7
179.03484	84.7
180.03854	3.7
209.04509	16.2
227.98195	0.7
239.05588	57.7
240.05925	4.0
243.37381	0.9
292.46875	0.8
298.30368	0.7
299.07693	6.9
323.13483	5.2
354.06985	0.8
443.15582	64.9
444.16003	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	443.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.8
61.98839	17.5
71.01372	38.2
73.02969	17.0
77.95365	12.9
79.95699	16.4
81.95323	15.6
85.02919	15.3
86.42574	11.2
89.02434	23.9
92.16731	11.3
93.03429	12.5
96.96009	25.5
98.19742	26.5
101.02445	25.6
113.02451	23.7
114.89122	10.4
116.65405	11.3
117.03439	20.6
121.02950	21.0
125.02499	16.4
126.15752	12.0
137.02415	42.8
138.56651	10.9
145.02899	39.3
149.06064	73.6
163.03914	16.8
179.03490	26.8
188.72914	12.2
203.10823	18.3
212.88811	11.5
226.88963	12.4
239.05524	20.9
239.39667	11.6
267.83932	12.2
288.20361	14.1
301.03583	26.2
313.10098	12.3
331.14462	21.7
443.11069	60.0
443.17035	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01865	2.0
57.03435	1.4
58.00583	1.2
58.74865	0.4
59.01379	37.4
62.90613	0.4
69.59381	1.0
69.59795	2.3
71.01382	26.1
71.52800	0.4
72.99297	1.7
73.02944	5.2
83.01386	4.3
83.05002	0.5
85.02946	9.4
85.69444	0.4
87.00864	1.4
89.02443	16.7
95.01392	2.3
99.00853	1.4
99.24734	0.5
101.02440	18.9
111.04528	1.1
113.02440	9.9
114.02850	0.4
119.03500	7.2
121.04634	0.4
123.04502	0.4
123.08122	0.5
131.03432	0.6
143.03514	0.6
159.02838	0.5
161.04510	1.6
165.18646	0.5
171.11763	0.7
189.12819	1.7
219.13933	1.0
237.14954	0.7
255.05890	0.4
281.13983	0.6
291.80215	0.4
376.56326	0.4
436.71759	0.4
437.09839	0.5
443.19186	100.0
444.19553	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	443.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86581	4.8
53.34663	4.3
57.03437	5.0
59.01373	59.2
61.98828	62.6
70.27808	20.2
71.01379	37.2
83.01366	12.7
85.02953	12.7
87.00868	5.7
89.02435	24.6
95.01379	13.0
96.96014	35.8
98.58379	6.1
98.95584	5.1
100.41860	4.5
101.02443	17.7
111.00884	9.1
113.02444	17.7
119.03469	16.0
123.00889	14.9
123.04488	10.7
125.02430	26.7
137.02449	13.0
147.77629	5.2
151.00340	9.5
163.03984	7.8
165.05524	5.4
167.03429	7.6
169.01399	29.1
193.04991	8.3
223.09776	6.1
225.88127	5.1
244.93492	7.5
271.04538	15.1
271.77600	4.8
369.26437	5.0
443.06876	8.2
443.11826	67.4
443.19690	100.0
444.20218	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	443.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81194	0.8
69.36777	5.7
69.37182	2.0
87.04513	1.7
91.84761	0.8
98.19879	1.9
107.89299	0.9
118.25777	0.9
159.08461	4.6
161.06400	1.5
163.29947	0.9
175.21609	0.8
203.53658	1.0
214.16284	0.9
220.69702	1.2
277.07379	2.4
341.58719	1.3
357.13803	2.6
359.15317	100.0
360.15524	12.9
363.98022	1.0
427.21573	49.0
428.21771	8.4
443.24661	11.6
444.25113	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	445.0773
Annotation	Apigenin 4'-glucuronide
Peak:m/z	Relative Intensity
59.01142	0.6
59.01379	6.8
60.77528	0.8
62.79830	0.8
71.01378	1.6
73.12543	0.8
101.02416	1.5
121.02901	1.7
195.59958	0.8
196.05338	1.4
213.09149	0.9
225.09109	1.6
226.02682	1.0
240.04248	21.1
241.04395	0.8
246.98433	0.8
252.25533	0.8
253.08875	1.5
259.99554	3.0
269.00906	9.1
269.08173	43.4
270.01608	1.1
270.08545	4.2
272.03256	1.5
283.99838	1.3
297.00317	1.4
297.07666	9.6
298.01001	5.1
311.05637	2.4
313.07123	4.9
341.06616	6.7
445.07703	100.0
446.08054	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	445.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.9
61.98837	0.9
65.00307	0.6
71.01397	0.7
75.02396	0.8
81.03474	0.6
85.02947	0.6
89.02417	0.5
89.96709	0.4
91.01891	3.3
95.01337	0.5
95.05023	0.6
96.96001	1.1
99.00830	0.5
101.02458	0.5
109.02960	1.1
113.02452	0.5
119.01380	4.8
121.02969	1.2
123.00855	0.5
125.02473	0.6
137.02438	6.1
145.03001	0.4
147.00877	13.9
153.09196	0.6
161.02475	0.6
163.00381	3.5
165.01932	6.9
165.05606	1.0
173.02457	1.0
174.03134	1.1
175.00352	7.5
176.01074	1.8
177.01860	0.7
185.02397	0.7
188.01100	0.4
189.01912	0.8
190.02736	0.8
190.99820	0.5
201.01903	1.4
202.02705	4.3
202.99854	36.0
204.00287	1.8
206.99313	1.9
208.00201	1.0
209.00885	11.8
210.01318	0.5
217.01469	0.6
227.03496	0.8
229.01323	1.1
230.02162	3.0
232.00192	0.5
241.04958	0.8
245.00838	0.7
246.98822	100.0
247.99187	5.1
255.06680	0.5
259.99500	0.6
269.08072	0.9
274.01147	2.0
297.07690	2.2
298.08548	0.7
325.07089	1.1
329.10101	0.7
341.06689	0.7
357.09879	1.4
369.06265	0.5
373.09186	1.0
401.08743	7.9
402.08936	0.5
411.98303	0.5
445.07843	2.2
446.07639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
57.90349	0.4
59.01376	18.7
61.98828	12.7
63.02403	1.1
65.00342	2.2
69.03492	0.5
71.01373	5.6
71.61624	1.0
72.99336	1.2
73.02942	2.5
74.99113	0.8
77.00350	0.5
79.95756	0.8
83.01390	2.1
85.02966	2.0
85.21416	0.4
87.00874	0.7
89.02447	2.9
91.01901	0.5
93.03469	2.0
95.01428	0.8
96.96037	2.0
99.00886	1.0
101.02447	2.4
107.01384	4.8
108.02203	1.6
109.02954	3.4
113.02468	2.1
117.03468	5.8
119.03627	0.5
119.05048	2.2
121.02962	4.3
123.04606	0.5
124.01669	0.8
125.02458	1.5
127.20757	0.5
135.00848	1.4
137.02431	7.7
137.09673	0.6
143.03494	0.5
143.29201	0.5
145.02945	26.0
146.03287	1.2
147.04579	0.6
148.01678	1.8
149.02426	1.0
151.00357	18.0
153.09207	0.7
155.10831	0.8
159.04457	0.7
161.02408	0.9
161.04535	1.9
161.05988	0.8
163.00333	4.6
163.04012	2.2
164.01176	0.8
165.01924	0.8
178.99849	8.7
179.03485	1.6
183.04480	0.6
187.04019	1.3
190.99870	0.8
193.01454	0.7
198.03194	0.7
199.04001	0.9
201.05605	0.6
211.04037	2.2
215.03387	0.6
216.04320	0.9
226.02663	1.7
227.03448	4.2
229.05063	1.6
243.02966	12.3
243.05301	1.0
244.03415	0.6
245.04507	2.2
254.02165	3.8
255.02972	26.1
256.03391	2.2
267.07483	0.5
271.02451	55.7
272.02939	4.5
273.03934	1.6
281.06598	1.2
283.02432	2.5
283.15585	1.5
283.99847	2.3
284.02771	0.6
285.03979	0.6
299.02109	2.5
300.02719	78.3
301.03485	100.0
302.03900	7.5
307.08301	2.7
369.06241	0.8
385.13333	0.7
385.22562	0.8
401.08841	1.1
445.07642	50.1
445.14890	2.1
446.07913	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	445.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03432	0.6
59.01102	0.5
59.01374	6.1
59.75596	0.3
60.03590	0.4
60.89554	0.3
61.98812	1.0
67.01877	1.0
69.03441	0.9
70.46659	0.3
71.01376	6.2
71.05444	0.6
72.99282	0.5
73.02941	7.5
79.01884	1.0
83.01379	0.9
85.02933	2.9
87.00859	1.4
89.02431	1.6
95.01377	1.5
97.02937	0.9
99.00858	0.5
101.02441	3.9
103.03975	1.5
107.01382	6.2
111.00879	1.5
113.02448	2.7
123.00877	12.9
124.01661	1.2
125.02438	27.8
126.02785	0.5
131.03496	5.0
132.19583	0.4
136.98775	1.1
137.02432	0.6
139.00369	4.2
140.01149	1.6
141.01918	1.8
150.99171	0.7
151.00362	10.0
151.04010	0.6
152.00681	0.5
153.01855	0.6
161.02408	0.4
161.04506	0.8
163.03967	0.5
165.01942	0.6
168.00638	2.6
169.01410	43.4
170.01738	1.5
179.03459	0.9
181.05009	0.4
185.65909	0.4
195.02861	0.4
211.02452	3.6
215.74069	0.4
223.02365	0.7
241.03503	0.7
253.03557	0.9
271.04483	2.5
293.08936	0.4
313.05600	8.7
314.05884	0.6
387.09229	4.4
399.09271	2.3
417.10364	1.1
445.09802	100.0
446.10226	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	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.2
65.11851	1.0
69.68076	4.5
69.68494	2.3
71.01377	3.9
75.00868	54.2
89.02438	5.5
93.61829	0.9
101.02460	1.2
103.00367	100.0
104.00668	1.2
104.03548	4.6
113.02423	1.8
119.03532	1.7
133.01324	2.2
135.02986	2.5
149.04514	3.5
179.05504	1.5
191.05602	2.8
247.70105	1.0
254.85080	1.1
261.37726	1.0
290.21771	1.1
341.10941	7.9
346.40546	1.2
358.23920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41914	3.8
59.01380	35.2
61.98819	11.2
71.01384	27.0
71.59464	3.4
72.97538	4.4
72.99306	4.0
73.02940	10.8
74.36294	3.1
75.00875	4.0
78.21134	3.1
79.00990	3.1
83.01388	4.5
85.02952	10.6
87.00888	8.3
89.02440	12.8
93.03446	6.8
95.01400	7.5
96.96018	33.7
96.98495	3.1
99.04505	4.0
101.02455	14.1
107.01387	6.0
109.02973	3.6
111.00887	7.0
113.02438	12.6
113.29095	3.2
123.00860	23.7
123.04525	3.6
124.01662	6.2
125.02454	31.1
137.02481	10.2
138.03165	4.1
139.00385	10.3
151.00403	11.7
153.01915	5.3
165.05577	4.1
168.00600	6.3
169.01424	57.0
177.86932	3.4
188.68723	3.3
195.03064	4.5
207.02594	3.5
211.02467	21.0
255.05164	3.6
255.08583	3.2
271.04514	24.7
313.05728	11.5
322.26608	3.7
375.98834	3.7
383.59216	3.4
409.16000	10.9
445.09161	100.0
445.14365	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	445.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	51.5
71.01380	12.3
71.60514	5.8
96.96009	25.0
98.95567	5.8
101.02396	7.6
121.02961	100.0
137.02441	10.7
145.29344	5.0
150.03221	22.9
157.71599	5.7
157.91109	6.3
165.02031	5.6
209.11736	27.4
220.10800	6.3
224.10254	5.5
225.05511	11.0
246.98944	8.1
249.01454	5.9
287.05316	8.0
297.31934	6.0
313.07162	12.1
325.06961	6.6
329.23022	7.0
341.06290	6.3
345.55334	6.0
426.87250	5.4
445.06311	8.2
445.12433	33.0
445.24271	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	445.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	51.5
71.01380	12.3
71.60514	5.8
96.96009	25.0
98.95567	5.8
101.02396	7.6
121.02961	100.0
137.02441	10.7
145.29344	5.0
150.03221	22.9
157.71599	5.7
157.91109	6.3
165.02031	5.6
209.11736	27.4
220.10800	6.3
224.10254	5.5
225.05511	11.0
246.98944	8.1
249.01454	5.9
287.05316	8.0
297.31934	6.0
313.07162	12.1
325.06961	6.6
329.23022	7.0
341.06290	6.3
345.55334	6.0
426.87250	5.4
445.06311	8.2
445.12433	33.0
445.24271	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	445.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84875	1.6
55.01892	2.1
57.03446	10.1
59.01379	44.5
61.98826	29.7
69.03423	1.6
69.35616	5.0
69.36040	8.5
71.01379	13.7
73.02941	19.7
75.00873	1.9
83.01354	1.9
85.02959	6.6
87.04510	1.8
89.02435	7.9
96.96026	3.1
97.02938	2.1
99.04494	2.9
101.02456	5.5
107.01326	1.4
113.02444	7.4
117.03486	2.4
119.03506	2.5
121.02940	1.9
137.02406	3.6
137.09669	2.6
145.02951	10.7
151.00397	4.0
155.10786	4.6
161.04604	3.8
165.12862	4.2
178.99818	1.8
179.14713	1.6
203.10699	2.0
209.11839	9.4
221.15495	7.5
223.13362	28.1
243.02922	2.9
247.09773	2.4
249.06088	1.8
255.02988	5.1
271.02570	7.7
283.02380	1.7
283.15482	100.0
284.15668	8.8
300.02658	9.1
301.03488	25.2
302.03839	3.8
312.99765	7.5
325.16568	3.8
362.12225	1.7
385.13110	2.4
445.03235	3.0
445.08258	4.3
445.20612	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37995	0.6
55.62512	0.7
57.03472	0.6
58.00584	0.9
58.02174	0.7
59.01374	100.0
61.98829	1.7
71.01373	16.3
71.05169	1.1
72.99316	1.0
73.02972	1.6
80.96519	0.9
83.01392	1.1
83.05036	3.0
83.44662	0.6
85.02956	2.5
87.00888	2.3
89.02438	28.8
95.01395	1.6
96.96027	2.1
101.02433	10.8
109.02957	2.4
113.02439	9.0
119.03496	12.3
123.00886	0.9
125.02481	1.9
131.03506	1.7
134.95995	0.7
139.04010	1.1
143.03497	3.7
149.04553	1.5
153.01953	2.6
161.04584	4.9
169.01439	1.1
179.03447	0.8
179.03784	0.9
179.05585	20.3
180.06078	0.9
195.02946	5.2
195.06496	0.8
205.12357	1.0
209.08118	1.8
255.05161	3.5
343.07626	0.8
445.13519	12.8
445.19968	1.2
446.14044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52076	0.7
54.94096	0.7
56.43668	0.7
57.03444	1.0
58.00603	0.8
59.01379	100.0
60.63966	0.8
63.14954	0.7
69.58761	2.1
69.59161	2.8
71.01379	17.0
72.99319	2.1
73.02972	1.4
83.01401	2.6
85.02955	3.0
89.02444	24.0
98.03783	0.8
98.04542	0.6
101.02440	19.7
113.02448	5.9
119.03499	16.5
131.03546	1.3
143.03502	1.5
161.04529	3.9
163.11346	1.1
165.09207	1.6
175.82709	0.7
179.05602	10.1
179.10689	0.7
187.11293	1.0
205.12325	1.4
223.13344	9.9
235.13535	2.2
237.15015	2.6
247.13518	1.9
265.14444	5.2
330.26715	0.8
403.18430	0.7
445.21686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
58.00604	0.3
59.01377	100.0
60.01698	0.8
69.58575	1.5
71.01379	8.1
72.99299	0.4
73.02953	1.0
82.66991	0.3
83.01365	0.3
85.02922	1.6
87.00900	0.8
89.02444	9.1
95.01419	0.5
99.00915	0.7
99.12867	0.3
101.02442	5.9
102.02864	0.3
106.46959	0.3
113.02445	4.6
119.03488	6.4
125.02422	0.4
129.01971	0.7
131.03516	0.7
135.04526	0.7
143.03499	1.0
149.04588	0.5
161.04523	2.7
161.09756	0.4
169.45419	0.3
179.05580	3.7
187.11259	3.2
204.11647	0.7
205.12332	3.3
206.12828	0.3
216.50725	0.3
233.11845	2.0
259.13446	0.5
277.14389	1.7
278.14886	0.3
385.18628	2.4
406.10034	0.3
445.07214	0.8
445.21072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
56.24617	0.5
57.03453	0.8
58.00598	1.3
59.01377	100.0
60.01715	1.2
63.53448	0.6
64.74289	0.5
69.58920	3.0
71.01377	26.9
72.99316	1.4
73.02943	2.9
75.08311	0.6
83.01404	1.2
85.02956	5.5
87.00893	2.4
89.02438	28.8
95.01398	1.7
95.48389	0.6
97.02989	0.9
98.20619	1.0
99.00865	1.2
101.02435	16.2
105.07076	0.5
113.02450	11.9
113.06155	0.8
117.13754	0.6
118.54781	0.5
118.59637	0.5
119.03497	12.8
123.08160	0.8
125.02480	0.7
127.69479	0.6
130.57654	0.6
131.03514	1.5
138.06902	2.4
139.07663	1.2
143.03490	3.5
149.04623	1.5
151.07640	4.2
152.08429	5.8
153.09201	18.1
155.48264	0.5
159.03033	1.1
159.46660	0.6
159.54062	0.5
161.04536	10.7
163.06161	0.8
179.05597	16.3
205.12306	7.6
223.13365	9.1
245.08383	0.7
385.18628	18.5
386.19016	1.1
445.21194	1.3
456.51691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34809	0.3
57.03436	0.3
58.00599	0.7
59.01376	100.0
60.01711	0.9
69.26171	1.7
69.26606	1.5
71.01379	10.3
72.99323	0.6
73.02947	0.8
75.00863	0.3
79.95741	1.2
82.51562	0.3
83.01385	0.5
85.02952	2.9
87.00890	1.2
89.02441	16.9
93.10148	0.3
95.01393	0.8
96.95977	0.8
99.00903	0.5
101.02440	7.4
106.06635	1.5
107.06971	0.9
113.02448	7.1
115.55873	0.3
119.03499	7.9
131.03510	1.2
133.13525	0.4
143.03520	1.8
149.04559	0.7
150.05647	0.8
151.05928	0.5
155.10756	0.3
161.04536	3.5
174.01265	0.3
179.05605	4.2
187.11295	0.8
205.12323	0.7
209.11873	1.1
233.11848	0.4
243.97064	0.5
262.50555	0.4
312.99661	0.4
385.18613	3.6
401.12469	0.4
445.11966	1.4
445.20953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Dendroside G
Peak:m/z	Relative Intensity
55.01877	0.8
57.03441	2.0
58.00592	0.7
59.01103	0.6
59.01379	8.4
60.87036	0.4
61.98828	3.4
69.03443	0.8
70.31761	0.4
70.97536	1.0
71.01379	9.3
71.05022	1.4
72.84972	0.4
72.99314	0.6
73.02940	7.0
75.00853	1.1
76.64327	0.5
79.12601	0.4
83.01389	1.5
83.05038	1.7
85.02944	5.5
87.04515	1.0
89.02434	1.9
94.73651	0.4
95.01382	1.1
95.05077	0.6
96.96021	1.5
97.02966	0.8
99.00883	1.8
99.04523	0.5
101.02446	6.0
101.06078	3.3
107.01395	0.5
113.02440	3.4
119.03500	0.7
121.02932	0.5
125.02425	0.8
135.04526	0.5
135.08177	3.2
136.07651	0.5
137.02454	1.9
137.09718	13.7
138.10031	0.6
141.07927	0.5
145.02884	0.7
151.00352	1.6
155.10770	74.5
156.11092	2.9
161.04550	1.8
165.05612	0.6
167.14410	0.4
178.99799	0.8
179.03531	1.0
181.08669	4.4
199.09749	14.6
200.01096	0.7
200.10114	0.6
209.11789	0.5
213.01987	0.7
223.13370	1.8
240.00633	1.1
241.01457	0.9
254.99249	0.8
255.02800	0.6
257.00986	0.5
271.02435	1.2
282.98721	1.3
283.15533	6.1
283.99506	2.4
285.00360	2.9
300.02701	1.9
301.03513	6.1
302.03857	0.6
310.98376	1.1
311.99039	5.4
312.99869	30.2
314.00241	1.5
349.57248	0.5
355.12695	0.8
369.06042	0.7
385.12878	0.6
401.08905	0.6
445.03931	17.2
445.20728	100.0
446.04028	1.1
446.21063	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	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98811	0.5
70.61259	0.4
71.01360	0.5
78.95899	5.8
83.04970	0.4
110.98531	4.7
121.02956	0.5
167.01147	1.9
185.02168	4.0
203.81879	0.4
269.04437	0.9
277.21698	100.0
278.22037	8.3
325.76691	0.4
385.45544	0.6
445.23727	8.0
445.33655	2.8
446.23776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44182	0.5
55.85777	0.5
59.01376	50.8
60.01709	0.7
61.98534	0.8
61.98827	14.4
66.38223	0.5
71.01370	3.0
73.02936	0.5
83.01351	0.6
85.02956	0.8
89.02435	3.7
98.20698	1.5
101.02428	2.7
107.01385	0.8
109.06611	0.5
113.02439	1.4
119.03508	1.6
125.02512	0.5
143.03363	0.5
147.23059	0.4
151.00386	2.2
153.09119	0.6
161.04553	1.4
163.00307	0.5
178.99809	0.5
179.05646	1.1
182.58853	0.5
183.04507	0.9
185.06079	0.8
194.73518	0.4
211.03938	2.2
213.05461	0.6
227.03477	64.8
228.03824	4.4
229.05040	1.9
239.03540	0.8
240.04207	0.5
241.05055	0.6
255.02969	80.5
256.03564	11.8
257.04407	1.8
284.03238	65.7
285.03906	20.6
286.04324	1.2
327.05051	1.6
341.58368	0.5
387.20267	5.4
388.20325	0.6
447.09299	100.0
448.09567	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89785	0.5
57.03443	0.8
59.01376	67.0
60.01708	1.0
60.77234	0.5
61.98539	0.6
61.98825	10.2
63.02371	0.6
65.00306	1.5
69.34892	4.6
69.35291	1.2
71.01375	3.7
73.02957	1.0
75.46302	0.5
81.43431	0.6
83.01369	1.5
85.02934	2.1
89.02428	2.2
91.01923	0.6
93.03444	0.5
96.95982	0.8
101.02441	2.8
107.01379	4.4
108.02164	2.1
109.02940	3.3
113.02412	1.9
119.03513	1.0
121.02950	3.7
124.01627	0.9
125.02442	0.7
135.00883	1.1
135.13177	0.6
135.40903	0.5
148.01666	1.7
149.02444	0.6
151.00359	18.1
161.02441	0.8
161.04575	1.4
163.00389	3.1
164.01102	0.7
165.01952	0.9
171.04358	0.7
178.99840	8.5
179.05672	0.7
181.12346	0.6
183.04443	1.2
187.03947	1.6
190.99806	1.3
199.04010	1.1
201.05527	0.9
211.03944	2.8
213.01805	0.7
225.14972	0.9
226.02658	1.0
227.03481	24.3
228.03947	0.8
229.04994	1.9
230.46056	0.6
239.03409	0.6
243.02953	8.7
244.03281	0.8
245.04601	3.1
254.02065	1.2
255.02965	50.8
256.03503	4.5
257.04523	0.7
271.02454	52.1
272.02905	4.4
273.03998	1.8
283.02463	1.8
284.03226	20.9
285.03967	7.7
286.04266	0.6
299.02026	1.7
300.02722	86.0
301.03476	70.0
302.03854	5.1
339.13934	0.6
387.20154	9.4
447.09277	100.0
447.22418	2.0
448.09634	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31707	0.4
50.84378	0.4
55.99646	0.4
59.01375	56.2
61.98828	8.9
63.16318	0.4
69.41088	2.8
69.41502	1.1
71.01369	5.1
75.99752	0.4
85.02942	1.3
87.00848	0.5
89.02431	5.6
95.01405	0.4
96.96024	0.6
101.02432	2.4
107.01416	0.9
113.02487	2.5
119.03475	2.0
125.02363	0.6
131.80644	0.4
132.02129	0.6
135.00859	0.5
143.03485	1.3
149.04472	0.6
151.00334	1.9
161.04597	1.1
174.34840	0.4
179.05615	2.5
183.04460	0.9
185.06023	0.6
211.03984	1.3
227.03471	57.5
228.03833	3.8
229.05034	1.6
230.14165	0.5
239.03578	0.6
240.99072	0.5
255.02960	76.7
256.03555	9.3
257.04373	1.1
284.03238	65.6
285.03928	20.9
286.04358	1.3
327.05121	0.9
387.20251	3.7
400.34979	0.5
447.09271	100.0
448.09592	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39621	0.5
59.01102	1.6
59.01376	25.5
61.98824	6.7
63.02423	0.6
65.00371	1.4
69.37175	0.5
71.01385	5.1
71.61955	1.2
73.02979	1.3
83.01413	1.1
85.03015	1.8
89.02431	3.0
92.00220	0.6
93.03522	1.5
96.96003	6.6
99.00939	1.1
101.01907	0.8
101.02411	2.9
102.98615	0.6
106.23444	0.5
107.01447	2.2
108.02245	1.9
109.03003	0.8
113.02432	2.9
116.92891	0.6
117.03434	3.3
119.03547	1.2
119.05056	1.4
120.99702	0.7
121.03025	0.9
121.06628	0.8
123.00944	1.6
124.01673	1.0
125.02486	1.0
133.02942	3.2
135.00937	0.7
136.81741	0.7
137.02417	2.9
137.45456	0.5
139.04060	1.0
145.02933	12.0
148.01718	1.2
148.56606	0.7
151.00359	9.4
159.04663	0.5
161.04639	1.8
163.00452	2.1
163.04019	1.0
164.72411	0.6
165.05562	0.8
175.02571	0.7
175.04059	1.6
178.99876	3.4
197.11823	1.2
198.03242	0.9
199.04039	1.5
201.01997	1.1
211.04008	1.4
213.01807	0.7
215.03503	0.9
225.11420	0.7
226.02655	3.6
227.03448	4.5
229.05092	0.7
243.02954	13.7
243.05286	1.0
244.03470	0.9
245.04453	0.7
249.06088	0.7
254.02118	3.9
255.02954	24.0
256.03336	2.2
257.04626	0.8
265.04660	1.0
271.02448	63.2
272.02893	6.2
273.11581	2.2
281.06592	2.2
283.02353	0.7
284.03189	1.8
285.04019	45.6
286.04410	2.9
299.01941	0.8
300.02719	100.0
301.03415	28.1
302.03802	1.6
303.27219	0.6
307.08066	1.7
387.20120	4.8
403.08112	0.9
409.14990	2.1
447.09088	81.3
448.09445	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	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.1
61.77196	0.5
69.26656	1.0
69.27069	5.3
71.01385	7.3
83.01381	1.0
85.02966	0.7
85.48386	0.6
89.02439	10.7
95.01363	0.8
101.02419	5.4
107.01386	3.9
111.00860	1.7
113.02471	3.6
118.24306	0.5
119.03515	4.3
123.00894	2.2
124.01662	2.6
125.02439	21.7
127.00397	0.7
131.03407	0.6
131.84918	0.6
133.05072	1.3
136.98773	1.1
137.02451	0.9
139.00342	1.8
139.04021	0.8
140.01112	2.1
143.03506	0.8
151.00354	1.8
165.01805	0.8
167.03488	1.1
168.00624	13.0
169.01419	35.6
179.05432	0.6
206.08865	0.7
211.02458	57.1
212.02835	2.0
241.03638	1.0
271.04568	48.8
272.04974	1.8
277.09467	0.6
295.10303	24.6
296.10764	1.8
331.06647	1.7
347.39462	0.7
429.10141	0.9
447.11383	100.0
448.11719	8.0
462.20654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1293
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01099	0.6
59.01377	8.0
61.98830	2.0
65.00314	0.6
71.01369	1.5
71.59303	0.5
84.33046	0.4
85.02931	0.7
89.02411	0.7
91.01888	14.1
93.03433	1.0
95.01389	0.8
95.25087	0.4
96.96006	0.8
101.02467	0.8
107.01434	0.4
107.75865	0.5
108.02168	17.1
109.02970	3.8
110.23674	0.4
113.02461	0.7
119.03478	0.6
121.02921	0.6
123.00884	6.1
124.01642	0.4
135.00882	13.7
137.02444	5.6
152.01151	16.2
153.01611	0.4
161.04565	0.4
163.03719	0.4
197.06090	1.8
199.07722	0.4
213.05577	1.1
215.07117	0.8
222.61415	0.4
225.05580	0.4
230.99454	0.6
243.06596	100.0
244.06900	5.1
285.04056	0.8
297.03894	0.6
299.05664	0.9
323.97751	0.4
327.05066	3.2
331.24792	0.7
344.08820	0.6
355.40698	0.4
357.06119	1.5
368.08276	0.4
387.10870	1.7
387.20114	2.5
447.13681	4.4
447.26047	0.5
448.13654	0.6
470.78189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35272	0.2
59.01377	3.3
61.98814	0.6
62.96408	0.8
71.01372	0.5
78.95897	35.2
89.02439	0.3
96.96959	2.3
113.02461	0.3
149.00075	19.2
151.01639	0.3
152.99580	0.5
158.92525	1.9
161.04471	0.3
179.01125	2.1
198.95868	0.3
205.15947	1.5
211.13469	0.4
230.45152	0.3
240.96812	0.4
267.11572	0.3
285.03809	0.3
302.41199	0.2
327.04996	0.4
347.08124	0.5
375.29065	1.3
387.20432	0.8
417.12421	0.9
431.10059	2.3
447.13376	100.0
448.13733	8.4
448.31589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98809	0.3
62.96410	1.1
69.65907	0.2
70.87796	0.3
70.88146	0.2
71.01395	0.4
74.36050	0.2
78.95901	36.3
89.02459	0.5
96.96953	2.2
97.37389	0.2
117.18034	0.2
149.00084	16.8
150.00475	0.2
151.01730	0.3
152.99547	0.2
158.92513	1.8
161.04587	0.2
179.01143	2.3
205.15942	1.3
211.13440	0.4
221.66452	0.2
240.96680	0.4
249.02640	0.2
267.11420	0.4
299.09827	0.2
315.85437	0.2
327.04996	0.2
347.08344	0.3
387.20334	0.5
417.12274	0.8
431.10184	2.2
432.10748	0.3
433.96060	0.2
447.13385	100.0
448.13721	8.2
457.07587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
56.55937	0.6
57.03463	1.1
58.00592	3.6
59.01376	88.5
60.01713	0.7
61.98827	4.1
67.01883	0.9
69.03457	8.2
69.34652	3.9
69.35073	1.2
71.01379	84.8
72.99309	4.2
73.02941	11.7
75.00865	3.4
77.79928	0.6
79.01907	1.3
81.03447	4.3
83.01388	6.5
83.05046	0.6
85.02949	9.9
87.00888	2.6
89.02440	100.0
90.02769	1.4
93.03444	2.3
95.01382	5.1
96.96001	6.4
97.02943	13.4
99.00360	0.4
99.00872	17.7
99.04523	2.2
101.02441	18.9
107.01366	1.4
109.02962	1.4
111.00854	2.4
113.02444	11.8
115.04012	8.9
115.79818	0.5
117.01939	0.7
119.03489	4.4
123.00884	29.3
123.04502	0.6
124.01686	1.2
125.02442	55.3
126.02770	1.7
127.04009	1.5
131.03503	15.6
137.02415	1.1
138.03226	30.5
138.05583	0.9
139.00336	1.4
139.03682	0.9
140.01164	0.8
143.03481	3.9
149.02553	0.9
149.04553	16.0
151.00317	1.7
151.04016	0.7
152.01115	0.7
153.01935	8.3
153.05566	6.0
161.04572	4.9
163.06136	1.0
167.03479	0.7
168.00603	1.3
169.01376	4.1
173.04506	1.1
175.04044	0.6
179.05380	0.8
181.04855	0.8
191.05586	9.7
205.06871	0.7
211.02492	4.3
215.05548	0.9
225.15001	0.8
225.19347	0.7
233.06648	42.2
234.06952	1.6
249.06274	0.8
271.04553	3.2
275.01956	0.8
293.08774	52.1
294.09015	2.4
295.10330	2.8
299.05667	0.9
300.99802	1.9
327.04758	1.2
387.20111	1.1
437.17535	0.6
442.48465	0.6
447.10745	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	447.2225
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.07200	0.4
55.01867	1.3
56.99804	0.4
57.03444	1.3
58.00591	2.5
59.01376	80.4
60.01706	0.8
69.03443	1.0
71.01377	67.4
72.01721	0.5
72.99303	3.7
73.02941	15.2
75.00875	1.1
81.03460	0.8
83.01393	2.4
85.02948	12.6
87.00874	3.1
89.02439	100.0
90.02790	1.3
95.01392	2.7
96.96015	0.7
97.02943	2.1
98.19856	1.6
99.00873	25.4
100.01222	0.5
101.02438	46.5
102.02718	0.6
110.11500	0.4
112.15033	0.4
113.02441	19.5
114.02779	0.6
115.04005	0.9
119.03493	18.8
123.20429	0.4
125.02440	5.4
131.03488	19.4
131.10655	0.4
133.01508	0.6
143.03500	4.1
149.04547	56.6
150.04848	1.1
161.04536	5.9
179.05598	8.4
179.07175	0.5
182.12930	0.4
191.05595	12.3
206.05603	0.4
211.13374	1.5
221.06606	1.3
225.14943	1.0
233.06638	1.8
236.74792	0.5
251.07707	3.6
259.85907	0.5
293.08667	1.0
315.18097	3.9
387.20148	2.6
437.36758	0.4
447.22290	31.9
448.22641	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	447.2231
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.16308	0.2
55.01875	3.5
57.03447	4.0
58.00583	1.4
59.01376	34.9
59.47256	0.3
60.01718	0.4
61.98830	3.1
65.72048	0.2
68.99802	0.6
69.03462	0.8
71.01376	72.3
71.58887	0.4
72.01716	0.9
72.99307	2.1
73.02941	21.4
73.88264	0.2
75.00854	1.7
81.03439	0.6
83.01381	9.1
83.01890	0.5
84.02138	0.3
85.02944	33.0
86.00097	0.5
86.03307	0.4
87.00867	3.1
89.02437	18.5
90.02747	0.3
95.01378	6.1
96.96000	0.8
97.02960	2.2
99.00874	9.1
99.04552	0.3
100.01170	0.3
101.02435	43.1
102.02768	0.4
111.00874	0.9
113.02443	30.6
114.02781	0.4
115.03983	0.3
119.03488	5.1
120.99625	0.2
125.02441	3.4
125.09684	0.3
129.01932	1.6
131.03499	2.6
135.00856	0.3
139.11273	0.5
143.03497	4.0
149.04517	2.0
149.64941	0.2
155.10751	0.4
159.02982	6.6
161.04539	48.7
162.04886	1.1
175.06241	0.2
179.05600	1.1
201.11307	0.4
205.03484	1.6
211.13387	0.7
215.05458	0.3
233.06602	0.5
247.02693	0.3
279.04874	0.3
285.03848	0.6
295.10678	0.3
315.18079	100.0
316.18390	6.5
327.05215	0.6
351.17047	0.2
357.06073	0.4
359.17007	1.4
387.20206	1.0
447.09357	0.9
447.22266	26.7
448.22620	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	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17457	0.3
57.03448	0.6
58.00595	0.4
59.01377	100.0
60.01710	1.1
69.52714	1.7
69.53130	0.9
71.01382	7.4
72.99294	0.5
73.02943	2.1
78.77013	0.3
83.01411	0.6
85.02946	3.4
89.02449	4.0
95.01395	0.7
99.00898	1.4
101.02437	5.8
104.80954	0.3
113.02448	4.1
119.03531	1.5
125.02374	0.4
137.09714	0.4
151.11316	0.5
153.09230	0.4
153.12877	0.6
159.03073	0.7
161.04568	5.1
179.05634	0.8
225.14932	4.7
249.06345	0.5
285.03937	0.5
351.06497	0.3
387.20209	27.1
388.20514	2.4
403.16367	0.6
447.09531	0.4
447.15222	1.5
447.22495	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01376	100.0
60.01721	1.2
61.98822	1.4
65.68215	0.5
69.28536	1.1
69.28957	3.9
71.01373	8.9
73.02938	1.1
85.02951	1.5
87.00889	0.7
88.13360	0.5
89.02442	13.6
101.02435	6.2
108.75569	0.5
113.02446	3.9
119.03497	5.5
143.03522	1.5
145.89873	0.6
149.04494	0.7
151.00443	0.7
161.04546	2.9
167.97511	0.5
179.05592	5.7
179.07001	0.6
185.52760	0.5
227.03481	10.9
255.02979	13.1
256.03687	1.9
270.98767	1.2
284.03250	14.3
285.03842	4.0
298.98495	1.0
299.99069	6.7
300.99615	0.6
310.20865	0.6
314.00781	0.9
315.01468	6.7
377.58289	0.7
387.20108	4.8
438.59390	0.6
447.09851	16.6
447.22247	2.5
448.09821	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
57.23872	0.6
57.30124	0.6
59.01376	100.0
60.01725	1.2
61.84984	0.6
61.98829	13.2
63.02383	0.6
69.64635	3.4
71.01382	12.7
72.91284	0.6
72.99327	0.6
73.02932	3.9
75.00870	22.1
79.95722	0.8
83.01414	1.0
85.02945	5.4
87.00893	1.6
89.02440	7.1
95.01384	1.2
96.95997	3.4
97.02971	0.9
99.00882	1.4
101.02428	8.5
107.01393	0.9
109.02961	1.0
113.02431	4.6
115.00394	1.9
117.03487	2.1
119.03492	3.1
143.03514	1.5
145.02957	7.4
146.03412	0.6
150.92688	0.6
151.00331	3.1
159.03065	0.8
160.01723	0.7
161.04547	15.8
175.02489	2.8
178.99878	1.3
179.05629	1.5
227.03462	1.5
243.03079	2.7
254.02284	0.7
255.02919	3.0
271.02469	7.7
271.09943	0.8
272.03015	0.7
284.03156	1.3
285.04013	3.1
299.09311	0.6
300.02728	9.3
301.03421	11.6
302.03940	1.0
307.08453	1.3
314.04480	1.6
327.08957	1.1
387.20200	17.2
388.21021	1.0
411.16852	2.3
413.91159	0.7
447.08646	11.5
447.14572	1.3
447.21967	2.4
448.09763	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	447.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65710	0.6
56.20964	0.6
57.42432	0.6
59.01154	0.5
59.01375	6.6
67.67062	0.6
70.11401	0.6
71.01373	0.7
71.59071	1.3
74.99066	1.9
76.97020	0.8
78.95902	4.5
89.88802	0.6
92.95182	0.6
93.00115	1.2
96.95998	1.0
104.70563	0.6
110.98515	2.9
144.10002	0.7
150.98901	1.0
167.01071	1.2
168.24136	0.6
185.02190	3.5
208.97600	21.8
209.97623	1.5
225.00735	46.1
226.00739	3.3
243.01750	4.7
272.38885	0.8
279.23257	100.0
280.23590	8.1
327.05151	1.1
387.20142	0.8
447.09219	1.1
447.25116	10.0
447.30905	0.9
447.34564	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	447.311
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01377	6.1
61.98829	0.9
64.79163	0.5
70.78210	1.6
71.01394	0.9
78.95901	0.8
89.02456	1.2
101.02444	0.7
104.51459	0.6
113.02380	0.7
134.06926	0.5
152.99583	1.6
280.61902	0.5
285.04089	0.9
297.04059	0.6
299.05539	0.9
316.39011	0.6
327.04990	2.8
357.06116	0.6
385.31027	1.1
387.20206	1.7
403.32159	22.9
404.32626	2.6
447.09747	2.7
447.31140	100.0
448.31525	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	448.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81578	0.2
59.01370	1.6
61.98826	100.0
69.57212	1.7
87.42373	0.3
101.02402	0.3
125.02441	0.8
137.02423	0.5
165.01898	0.4
167.03517	0.3
367.11810	0.6
464.43280	0.3
468.37192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11377	0.2
59.01377	1.8
61.98825	100.0
69.86076	0.4
71.01380	0.4
76.36098	0.2
76.77982	0.1
84.66757	0.2
85.02954	0.2
96.96002	0.3
106.06625	0.9
113.02444	0.3
125.02438	0.3
137.02451	0.8
150.05629	0.5
151.00261	0.2
151.84808	0.1
165.01932	0.3
167.03476	0.3
217.08774	0.3
310.93076	0.2
323.12753	0.2
367.11859	0.5
385.13098	0.5
389.21906	0.2
402.89252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94687	0.3
59.01376	6.3
60.01728	0.3
61.98827	100.0
65.00323	0.9
69.80025	0.3
70.98804	0.6
70.99141	0.5
71.01380	1.2
72.73506	0.3
75.00880	0.3
83.01388	0.6
85.02972	0.6
89.02451	1.1
93.03453	0.4
96.96014	0.9
101.02418	0.7
107.01382	1.9
113.02431	0.6
123.00893	0.3
124.07661	1.6
125.02463	1.0
135.04521	8.0
135.05501	0.5
137.02480	0.8
138.02852	0.4
144.62538	0.3
145.03008	0.4
147.04544	0.4
149.80991	0.3
151.00362	11.5
151.01564	0.6
161.04683	0.3
179.03545	0.4
179.05696	0.3
179.10843	0.9
211.74010	0.3
214.02744	0.4
214.05042	0.2
223.09729	0.8
243.15079	0.5
250.20255	0.3
259.17569	0.3
271.02472	0.3
272.02884	0.5
285.03986	1.9
286.04349	3.5
287.05609	9.1
287.08917	0.5
287.14008	3.5
300.02814	0.5
301.00119	0.5
301.03302	0.8
302.03806	0.5
389.08820	0.5
389.22073	1.0
390.52612	0.6
448.09052	2.4
449.10727	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28989	0.3
50.74181	0.3
54.19006	0.3
57.03432	0.5
59.01376	36.1
60.01709	3.0
61.01801	0.4
61.98825	100.0
66.24078	0.3
69.39739	2.8
71.01387	3.9
73.02958	0.8
75.00869	0.6
79.95740	0.8
85.02950	2.0
87.00848	0.7
89.02438	2.5
90.02759	0.4
96.79674	0.4
96.95986	0.4
99.00893	0.6
99.41341	0.4
101.02431	2.3
112.64748	0.3
113.02429	1.9
116.79757	0.4
119.03505	1.3
123.57635	0.4
125.02431	0.7
143.03571	0.4
155.10791	2.3
155.23843	0.3
161.04558	1.3
199.09825	0.8
204.11153	0.3
227.03520	1.5
228.03871	2.3
249.06322	0.4
255.02954	1.8
256.03394	3.0
257.04074	0.7
269.12650	0.4
275.01993	0.4
284.03299	1.5
285.03629	3.4
286.04379	1.2
388.20505	3.0
389.21542	1.3
390.52933	0.8
391.03217	0.5
448.09698	6.3
448.15536	1.2
448.22232	0.6
449.10419	0.4
449.16586	3.5
449.23965	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97819	0.2
59.01376	21.6
59.15438	0.2
60.01693	0.4
61.53733	0.2
61.98825	100.0
67.30679	0.2
69.41568	0.2
70.10567	1.2
71.01383	1.0
71.68867	0.3
73.02945	0.3
85.02928	0.4
87.23639	0.3
89.02454	0.6
96.96012	3.6
98.20672	0.3
101.02464	0.5
113.02463	0.3
117.03475	0.3
121.51033	0.3
124.01665	0.3
129.43846	0.3
129.95357	0.3
134.67915	0.3
141.41536	0.3
145.02962	0.8
146.03308	0.5
151.00394	0.3
179.05716	0.3
295.77341	0.3
347.67963	0.3
389.21823	0.9
448.13962	0.5
449.14847	2.9
449.23993	0.8
458.98544	0.3
471.97586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18021	0.4
59.01378	17.0
60.01713	1.6
61.98828	100.0
71.01390	1.1
89.02444	0.9
98.20635	0.8
101.02428	0.8
113.02462	0.9
119.03544	0.4
144.02704	0.3
199.09598	0.3
204.73961	0.3
227.03502	1.6
228.03821	2.1
255.02991	1.7
256.03357	3.2
257.03979	0.4
284.03308	1.0
285.03595	2.7
286.04453	0.9
300.99915	0.4
388.20557	2.4
389.21030	0.4
448.09586	5.0
449.09787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.7
59.85417	0.4
60.01715	0.8
61.98826	100.0
62.24072	0.4
70.32243	1.2
71.01379	5.7
72.01713	0.6
73.02938	2.0
75.92265	0.4
83.01384	1.0
85.02939	2.5
87.00903	0.6
89.02425	2.4
93.03480	1.2
95.01425	0.6
96.96011	0.5
98.20525	0.5
99.00907	0.5
101.02441	4.5
102.02766	0.6
113.02450	2.7
119.03492	0.8
122.03743	1.4
123.04533	1.0
137.02443	2.8
161.04552	2.7
175.38361	0.4
179.05632	0.5
214.37839	0.4
225.15128	0.6
226.15251	0.8
243.06712	0.5
281.06720	1.9
300.99753	0.6
388.20581	5.8
389.21811	7.4
390.52417	0.5
392.49054	0.4
405.11914	2.1
449.10324	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01379	8.7
60.01715	0.7
61.01783	0.2
61.98827	100.0
69.31671	1.4
71.01382	2.9
72.01730	0.3
73.02955	0.4
77.44387	0.2
83.01387	0.3
85.02959	1.1
87.00864	0.2
89.02443	2.7
90.02772	0.4
95.01418	0.3
101.02438	1.8
102.02786	0.3
113.02425	0.9
114.02760	0.2
119.03523	0.9
119.89541	0.2
121.03009	0.2
125.02447	2.7
143.03529	0.2
149.02460	0.3
151.00392	0.6
152.08401	0.2
161.04567	0.7
162.04883	0.2
169.01443	0.2
178.99934	0.4
179.05550	0.4
181.05049	0.5
182.05360	0.3
196.07376	0.4
197.07806	0.5
199.24489	0.2
211.09738	0.4
212.10136	0.6
226.15356	0.2
239.60547	0.2
259.06125	2.4
269.04526	2.7
287.05582	1.7
300.99753	0.3
331.55521	0.2
337.23410	0.2
387.20316	0.7
388.20587	5.1
389.21671	1.6
446.28714	0.2
449.10858	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01376	8.3
60.01714	0.5
61.94025	0.2
61.98827	100.0
67.42847	0.2
69.53376	1.5
71.01385	2.1
72.01716	0.5
73.02935	0.4
73.09171	0.2
81.03469	0.2
83.01392	0.4
83.12421	0.2
85.02964	0.8
89.02439	2.5
90.02749	0.3
99.00867	0.3
101.02451	1.8
113.02427	1.3
113.29111	0.2
114.02753	0.2
119.03531	0.9
120.03830	0.3
125.02454	1.8
144.57552	0.2
149.04514	0.2
151.00331	0.6
152.10767	0.2
161.04596	0.9
162.04868	0.2
179.05664	0.5
181.05066	0.3
182.05394	0.3
211.09811	0.3
212.10072	0.2
225.14891	0.2
254.71149	0.2
259.06030	1.5
269.01804	0.3
269.04483	1.8
287.05576	1.1
387.20303	0.7
388.20578	5.3
389.21802	2.6
431.06149	0.2
439.06265	0.3
449.10916	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	449.1083
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
59.01377	4.7
61.98824	7.5
63.02399	0.9
65.00325	8.7
69.43096	1.4
69.43511	2.0
71.01378	1.8
73.02957	0.5
83.01385	4.1
89.02441	1.0
93.03461	1.2
96.96001	0.6
101.02419	1.0
103.01912	0.5
107.01383	15.3
107.05033	0.6
108.02198	1.0
109.02958	3.0
113.02496	0.5
125.02460	4.0
130.93253	0.4
131.01416	0.8
134.03745	1.1
135.04517	77.0
136.04846	2.4
137.02425	2.1
151.00356	92.5
152.00687	2.7
159.04678	0.4
161.02434	0.8
161.04536	0.7
165.01935	0.8
167.03430	2.2
169.01340	0.5
175.00352	6.5
193.01372	1.4
205.01454	0.7
217.01422	0.5
256.62222	0.5
281.06665	1.4
287.05594	100.0
288.05920	7.5
293.08792	1.0
311.05457	0.6
313.05676	0.9
389.21729	1.9
449.10776	3.8
450.27979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
54.28925	0.4
57.03433	0.3
59.01377	10.2
59.29306	0.3
61.66029	0.3
61.98826	13.6
63.02388	1.5
64.81955	0.3
65.00321	8.5
70.14256	0.9
70.14655	0.6
71.01377	1.7
72.99281	0.4
73.02930	0.6
75.00882	0.5
79.95747	0.6
83.01375	5.3
85.02948	1.2
87.00849	0.3
89.02455	1.3
93.03418	0.4
95.01419	0.7
96.96008	1.5
97.01704	1.0
98.20612	0.4
101.02445	2.0
107.01385	17.2
108.02234	0.4
108.99288	0.4
109.02966	1.6
113.02467	1.4
119.03548	0.4
120.08167	0.6
123.00898	0.4
124.07672	8.5
125.02428	3.8
134.03758	0.9
135.04514	71.5
136.01689	0.6
136.04840	2.9
137.02393	0.5
137.09761	0.4
151.00356	100.0
152.00694	3.4
153.09233	0.5
155.10783	1.5
159.04387	0.5
160.05460	0.4
161.02448	1.1
161.04536	1.0
164.01129	1.0
169.01384	1.4
171.10324	0.7
177.01968	0.8
187.00435	0.4
196.00101	0.4
199.09557	0.3
213.11337	0.5
214.02669	0.4
230.06491	0.4
243.06824	0.4
243.14862	2.2
249.06049	0.4
269.04498	0.9
287.05588	70.2
287.13959	19.0
288.05936	4.6
288.14319	1.0
297.09720	1.1
301.15482	0.9
301.95847	0.3
302.03207	0.9
309.25473	0.4
329.15085	2.0
389.08868	1.2
389.21707	1.1
390.09674	0.4
449.10803	28.9
449.20395	4.2
449.27411	0.7
450.11426	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	449.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
56.83680	0.3
59.01104	0.5
59.01374	6.7
67.01891	0.4
68.99822	0.3
69.03414	0.4
70.92148	0.8
71.01379	4.2
72.99291	0.9
73.02940	1.1
75.00859	0.3
79.01881	0.8
81.03471	0.3
83.01379	0.8
85.02950	2.0
87.00857	0.6
89.02438	3.9
89.33666	0.3
95.01353	1.3
96.95987	0.7
97.02941	0.7
99.00846	0.4
101.02428	2.8
105.01932	0.4
107.01379	3.9
107.91895	0.4
111.00884	1.6
113.02454	1.6
117.93018	0.3
119.03491	1.0
123.00874	11.1
124.01678	1.2
125.02436	18.2
126.02801	0.6
135.06584	1.9
136.98814	0.9
139.00354	4.4
140.01164	2.6
141.01990	1.4
151.00359	9.1
151.03912	0.3
153.01884	0.5
161.04568	0.6
163.04042	0.7
167.03477	0.4
168.00626	4.0
169.01407	27.7
170.01747	0.5
177.02010	0.4
179.03441	0.4
182.07544	0.4
187.00368	0.5
205.97871	0.4
211.00459	0.4
211.02446	7.1
212.02827	0.3
212.41139	0.4
214.99748	0.5
230.99295	0.6
233.24576	0.3
253.03552	0.7
269.06415	0.4
271.04572	11.9
271.07538	0.6
272.04913	0.7
285.97571	0.4
313.05518	2.6
331.06482	0.3
449.12943	100.0
450.13315	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	449.1494
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.22584	0.7
59.01368	1.4
60.18391	0.8
62.96407	22.4
63.56984	0.7
74.03448	0.8
78.95901	53.7
80.91006	0.9
80.97466	30.7
96.96035	1.0
96.97001	0.8
115.72883	0.8
149.00089	13.4
179.01114	1.5
205.15948	7.8
218.78874	0.8
231.34258	0.8
242.98201	5.3
285.12524	1.9
355.16769	17.2
355.28290	0.8
356.17322	1.1
385.17844	21.1
386.18109	1.9
449.14966	100.0
450.15408	8.7
450.21149	1.4
474.82303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
58.73100	0.5
59.01102	1.0
59.01376	14.5
60.01679	0.7
61.98825	8.9
65.41586	0.5
67.37112	0.5
68.99834	0.7
69.03438	0.9
69.26772	0.8
69.27169	4.5
71.01382	10.9
72.99306	3.3
73.02931	3.1
75.00866	10.0
81.83955	0.5
83.01385	1.2
85.02949	11.5
87.00871	5.4
89.02438	2.3
93.03467	1.0
95.01361	3.1
96.95995	0.8
99.00863	6.6
101.02433	0.9
110.26598	0.6
110.27336	0.6
111.00867	1.0
113.02439	10.2
115.00357	1.6
117.01919	1.4
129.01926	1.2
135.08142	1.0
137.09700	6.4
151.00406	0.6
155.10768	68.6
156.11090	2.3
157.01390	1.2
161.04546	0.7
175.02475	1.8
180.18408	0.5
181.08636	1.2
191.05595	0.8
199.09720	13.0
211.08957	0.6
231.05016	1.3
249.06131	11.7
273.13461	8.2
351.35190	0.5
352.89175	0.6
387.16580	1.3
389.21466	0.9
431.15475	1.9
449.16599	100.0
450.16925	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32150	0.4
55.01877	0.4
57.37023	0.4
58.00587	0.6
59.01379	100.0
60.01705	0.8
61.98829	20.7
69.40441	2.8
69.40845	0.9
71.01377	11.6
72.99315	0.9
73.01884	0.4
73.02959	1.3
75.00891	0.4
76.33458	0.4
83.01369	0.9
85.02960	2.7
87.00892	0.8
89.02444	20.0
90.02772	0.4
95.01373	1.0
96.96027	0.7
99.00887	0.5
100.75733	0.4
101.02440	8.1
113.02452	6.6
119.03497	7.5
125.02486	1.3
131.03526	0.9
135.04523	1.2
143.03477	2.5
149.04591	1.4
161.04573	5.9
169.01437	1.1
179.05606	11.1
192.20433	0.4
212.38576	0.4
215.20430	0.4
227.78932	0.4
300.99969	0.6
389.21814	11.7
389.26633	0.8
390.22275	1.0
391.02774	0.5
414.96738	0.4
442.24307	0.5
449.10620	0.8
449.16156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.3
59.01376	100.0
60.01717	0.7
61.98814	1.5
71.01373	5.5
73.02944	0.3
75.00871	0.5
83.01405	0.4
84.08425	0.3
84.85211	0.2
85.02953	1.2
87.00884	0.6
89.02439	8.8
96.96030	0.8
101.02441	3.0
103.72436	0.3
109.02953	0.3
112.98354	0.3
113.02444	2.9
119.03493	3.6
125.02443	0.7
143.03448	0.6
149.04573	0.5
152.23579	0.3
154.80617	0.3
161.04601	0.9
169.01315	0.4
179.05612	3.1
213.02893	0.5
287.05844	0.4
329.06924	0.3
393.91061	0.3
449.11957	1.1
449.24124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43412	0.5
55.01862	1.0
57.03439	1.8
58.00586	1.1
59.01377	100.0
60.01714	1.0
61.98829	3.7
65.00327	1.1
71.01379	21.8
71.35205	0.7
72.99303	2.1
73.02942	3.9
75.00850	0.8
81.03461	0.8
83.01381	3.3
85.02941	6.3
87.00893	1.4
89.02442	21.0
93.03466	0.8
95.01391	2.0
95.05048	0.7
96.96005	6.5
98.19988	0.6
99.00873	1.7
101.02437	17.3
107.01419	1.8
109.02979	0.6
113.02448	10.7
119.03502	7.8
121.02959	0.7
123.04569	0.6
124.06596	0.6
125.02440	11.1
125.03314	0.7
131.03526	0.8
135.04544	1.6
143.03461	2.8
149.02470	0.7
149.04585	0.8
151.00331	3.3
152.01109	1.0
153.01939	1.4
159.03047	1.1
159.04625	0.7
161.04549	8.2
164.17630	0.5
169.01430	1.0
173.06097	2.1
175.00484	0.7
175.04074	0.8
177.05557	1.3
178.99837	3.3
179.05605	5.9
181.01474	0.7
199.07655	0.6
201.05498	0.6
215.07109	3.5
243.06664	1.4
259.06073	22.6
260.06308	0.7
274.25543	0.6
283.06091	4.9
287.05612	16.7
288.05899	0.7
301.07202	1.9
309.75793	0.6
313.05597	0.7
371.20297	0.6
389.21793	56.4
390.22235	3.4
403.19693	1.4
404.20062	0.6
421.11475	4.1
449.10620	2.8
469.33109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36620	0.2
59.01377	100.0
60.01709	0.9
61.01787	0.3
61.98827	2.4
62.08519	0.2
64.83228	0.2
66.92614	0.2
69.57957	1.5
71.01392	1.8
73.02954	0.3
83.01405	0.6
85.02965	0.9
87.24284	0.2
89.02448	1.4
96.96001	1.8
99.00877	0.3
101.02430	1.5
107.01391	0.3
113.02455	0.7
119.03526	0.4
123.04485	0.2
125.02450	0.4
133.66330	0.2
135.04498	1.9
138.54153	0.2
151.00343	2.1
159.21394	0.2
161.04552	1.2
161.49928	0.3
191.05743	0.3
197.76225	0.2
204.53746	0.2
287.05582	1.7
359.20697	2.4
359.24365	0.2
389.21780	5.7
389.26553	0.4
390.22015	0.4
419.77737	0.3
433.20715	0.5
435.46494	0.2
449.09711	0.5
449.14902	1.0
449.24081	1.9
450.14725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.8
59.01377	100.0
61.52277	0.5
61.98831	20.2
69.50957	4.7
71.01380	22.7
72.01736	0.6
72.99311	1.1
73.02938	1.0
83.01389	1.4
85.02948	5.0
87.00890	1.8
89.02442	34.5
90.02793	0.7
95.01377	1.0
96.96006	1.3
98.20600	1.0
99.00877	1.0
99.98235	0.6
101.02441	14.4
104.66335	0.6
107.01452	0.7
113.02453	11.1
117.71441	0.6
119.03494	15.9
131.03525	1.5
131.46133	0.5
137.02531	1.0
143.02557	0.6
143.03452	3.4
149.04538	2.0
153.09195	5.0
161.04573	5.1
175.49942	0.7
179.05611	11.6
184.38255	0.6
209.15430	4.0
227.12959	1.2
227.16508	1.6
351.64377	0.7
389.21799	38.6
390.22134	3.8
449.14767	1.1
449.20551	2.2
465.69324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06415	0.3
55.01869	0.4
57.03473	0.6
59.01376	100.0
60.01714	1.3
61.98825	27.2
71.01376	12.0
72.99302	0.8
73.02946	1.2
78.56565	0.3
83.01410	0.6
85.02946	2.8
87.00887	1.6
89.02438	17.8
94.40646	0.4
95.01380	0.9
96.96016	1.1
98.19886	1.0
99.00885	0.8
101.02432	8.2
113.02448	6.6
119.03491	7.2
125.02399	1.1
131.03537	1.0
134.45790	0.4
135.04558	0.6
143.03459	2.1
148.36269	0.4
149.04546	0.8
161.02483	0.4
161.04547	6.0
169.01393	0.7
179.05602	11.2
179.07191	0.6
184.97522	0.4
202.69957	0.4
231.66483	0.4
290.20215	0.4
300.99921	0.4
311.94739	0.4
351.52011	0.4
389.21686	10.8
449.10925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.327
Annotation	(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
53.71461	0.5
57.03443	10.7
59.01366	2.5
61.98816	1.6
65.83167	0.6
71.05022	1.2
71.59703	0.5
78.95885	0.6
96.95996	0.8
97.33029	0.5
101.28799	0.6
128.19328	0.5
329.28525	1.9
359.29410	4.3
371.29462	4.5
387.32632	18.3
388.32986	2.1
391.28442	1.6
405.33865	1.3
431.31735	1.4
449.32681	100.0
450.32977	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42831	0.3
59.01377	2.7
60.01712	0.4
61.98829	100.0
65.11635	0.3
71.01380	0.3
84.50454	0.3
89.02468	0.2
96.96014	0.5
98.19829	0.7
101.02431	0.3
107.01407	0.6
135.04509	1.4
136.04919	0.6
151.00380	2.3
152.00732	1.0
271.04544	0.4
287.05688	1.2
288.06024	2.5
390.21567	0.4
450.17361	0.3
451.12735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
59.83211	0.3
61.98827	100.0
69.49574	0.7
69.49976	1.8
88.83942	0.3
110.03915	0.3
180.20734	0.3
286.87601	0.4
389.20859	0.4
390.21552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
60.01712	0.5
61.98827	100.0
71.01385	2.2
73.02937	1.0
75.00864	0.8
79.95728	0.4
80.70335	0.4
83.01382	0.5
85.02969	1.1
87.00868	0.6
89.02454	1.5
95.01395	0.4
96.96007	3.9
99.00853	0.5
101.02419	1.7
103.02063	0.4
113.02448	1.0
119.03509	0.6
145.02931	0.7
155.10794	1.5
156.11139	1.5
161.04526	0.8
188.88487	0.4
212.57010	0.3
229.66666	0.5
285.04019	0.5
391.23355	2.4
450.10864	0.6
450.17050	2.4
451.10779	0.6
451.16162	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	450.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
58.74817	0.4
59.01375	19.0
59.96018	0.4
60.01710	1.9
61.98825	100.0
63.99241	0.8
69.60087	2.7
69.60500	0.8
71.01375	5.2
72.01714	1.0
73.02944	2.2
83.01373	1.0
85.02953	2.6
85.03409	0.4
86.03262	0.5
88.55468	0.4
89.02438	1.0
95.01379	0.5
98.19877	0.7
99.00877	0.7
101.02424	5.0
102.02791	1.3
109.02941	0.9
111.00929	0.6
113.02473	2.6
114.02799	0.6
117.11165	0.4
123.04541	1.2
125.02436	1.1
132.36063	0.4
134.82545	0.5
137.02440	0.8
151.00357	1.2
153.01944	1.1
153.05577	1.3
161.04579	3.7
162.04913	1.2
169.01627	0.4
297.06232	0.8
389.21863	1.7
390.22110	15.4
391.22479	0.9
406.12173	0.8
450.11081	0.7
451.08163	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	451.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98466	0.1
57.03445	0.4
59.01378	5.4
60.01715	0.3
60.47547	0.1
60.54956	0.1
61.01811	0.3
61.98827	100.0
62.98534	1.5
62.99257	0.4
63.66911	0.1
63.99255	1.4
69.03448	0.7
71.01385	2.0
72.49783	0.1
72.99322	0.4
73.02958	0.5
75.00868	0.2
79.01906	0.2
81.03435	0.3
83.01411	0.4
84.01693	0.2
85.02956	0.6
89.02445	1.1
89.69349	0.1
93.03450	2.7
95.01379	0.3
96.96006	1.6
97.02974	0.7
98.19940	0.4
98.54056	0.1
99.00880	0.2
101.02437	1.2
107.01402	0.3
109.02945	0.3
111.00869	0.3
111.32418	0.2
113.02439	0.7
117.97301	0.3
119.03505	0.2
120.99657	0.2
121.02985	0.2
121.18817	0.1
123.00862	0.8
123.04520	0.3
124.01656	1.6
125.02439	28.2
126.02781	1.2
127.02969	0.2
135.98360	0.6
137.02440	7.1
138.02853	0.2
139.00388	0.5
149.02377	0.4
150.03242	0.2
151.00331	0.7
152.00685	0.2
153.01875	0.4
161.04546	0.5
165.05565	0.2
166.99835	0.3
168.00620	3.1
168.23323	0.1
169.01414	36.0
170.01750	1.4
176.04672	0.2
178.99850	0.2
179.03554	0.3
195.06694	0.2
203.09218	0.2
211.02423	0.3
217.01442	0.3
245.00995	0.8
259.02673	0.1
259.06058	0.5
260.06458	0.4
261.06561	0.7
269.04422	0.5
270.04840	0.3
271.02386	0.2
271.05081	0.8
273.00507	1.1
274.01001	0.4
275.01892	0.3
281.06531	0.6
287.02206	0.2
287.05380	0.3
288.02655	0.2
288.05905	0.4
289.06616	0.7
299.07654	0.5
300.02667	0.5
301.03137	0.2
304.06799	0.5
305.15958	0.2
313.05609	1.1
331.06705	7.3
332.07074	0.4
358.52524	0.2
370.08902	0.6
390.21832	0.7
391.22827	0.7
403.17426	0.3
407.09546	0.3
451.08566	19.8
451.16467	0.6
452.08932	1.9
452.15051	0.2
452.17056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03444	1.0
58.99578	0.6
59.01379	35.5
60.01723	2.9
61.01806	1.7
61.32863	0.6
61.83967	0.5
61.98828	100.0
65.00316	1.3
69.84987	3.0
71.01379	12.5
72.01736	1.0
72.99297	1.1
73.02954	3.5
75.00881	0.5
79.95725	0.6
83.01391	3.4
83.89095	0.6
85.02951	6.2
86.03291	0.7
87.00869	1.1
88.98795	1.4
89.02444	4.4
93.03450	8.4
95.01377	1.9
96.42530	0.6
96.96015	10.3
97.02932	1.2
99.00871	2.2
101.02442	8.4
102.02776	1.6
107.01392	2.8
108.04533	0.5
109.02972	3.3
111.00845	1.0
111.96727	0.6
113.02445	6.0
114.02766	0.8
115.06980	0.6
119.03465	1.5
120.99631	1.7
121.02928	1.4
123.00884	5.4
123.04528	7.5
124.01684	0.9
125.02446	15.3
135.04503	1.0
136.01669	4.4
137.01457	1.0
137.02440	15.8
139.00327	1.6
143.03479	0.6
145.05026	0.8
149.02437	0.8
150.99190	0.9
151.00357	9.7
151.03941	2.3
153.00893	0.5
153.01955	5.5
153.05551	6.8
159.02946	0.9
161.04578	4.2
162.04866	2.0
163.05011	1.1
167.03421	1.2
168.00633	1.1
169.01416	17.8
169.04926	0.9
170.01721	0.8
175.00319	0.6
177.01976	0.7
178.99785	0.9
179.03490	12.2
179.05264	0.8
179.05582	0.7
193.01285	0.9
209.04485	1.2
211.02341	2.4
239.05627	5.4
245.00772	2.2
255.02814	2.7
271.02319	3.1
273.00366	4.1
273.03104	0.9
274.01141	4.8
281.06464	1.2
283.02161	1.3
288.02527	1.7
289.03583	3.6
297.06140	3.4
299.01810	0.7
299.07495	0.7
300.02725	5.8
301.03378	4.7
304.06589	1.2
312.06430	0.7
313.05377	1.8
370.08856	0.7
385.09528	8.3
385.59937	2.9
389.21344	2.7
390.22092	7.8
391.17715	0.8
391.22342	10.8
415.15466	0.8
423.65662	0.7
451.08347	55.8
451.24939	1.9
451.61691	4.1
452.08524	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51244	0.4
55.01838	0.4
57.03387	0.6
58.20127	0.3
59.01294	6.0
61.98744	7.9
61.99106	1.0
71.01296	3.0
72.99257	0.5
73.02876	0.9
79.95669	0.6
81.03399	0.4
81.46231	0.4
83.01333	0.7
84.87486	0.4
85.02855	1.3
89.02351	1.9
89.02834	0.4
89.03908	0.5
91.01820	0.6
95.01311	0.6
95.04944	0.9
96.96003	8.2
98.19884	1.7
99.00751	0.7
99.04457	0.5
101.02338	1.9
103.05446	0.6
108.02083	1.0
109.02942	18.3
113.02322	1.4
117.03361	1.5
119.03422	0.5
119.04915	1.8
120.99540	1.0
121.02822	1.0
122.03623	0.7
123.04511	12.7
123.24105	0.5
125.02380	0.6
129.72731	0.4
133.02950	4.0
135.04428	0.8
137.02393	0.6
141.33104	0.5
141.61700	0.4
145.02911	2.7
146.03261	0.4
147.04523	2.9
148.01543	0.8
149.02351	0.7
150.03156	0.9
151.00247	0.6
151.03978	6.0
159.04422	1.1
161.02441	6.7
161.04466	1.3
162.03096	1.2
163.03856	1.2
175.03931	0.9
176.01048	0.6
177.01907	22.8
178.02251	0.7
179.03445	0.5
182.40381	0.4
187.03909	1.0
189.01907	47.1
190.02673	11.7
191.03482	12.2
201.01822	0.5
203.03476	4.9
213.01953	0.7
216.00592	7.8
217.01385	32.4
218.01984	2.9
219.02956	12.1
220.03131	0.5
231.02943	10.9
232.03436	0.6
233.04376	1.0
237.44382	0.5
256.08325	0.9
281.04370	0.5
285.03922	0.5
285.12589	2.3
289.07104	2.6
297.07642	0.6
301.03442	1.4
323.05469	2.1
341.06607	100.0
342.06973	7.2
391.23108	2.6
391.52881	0.5
421.21570	2.5
421.71722	1.2
426.49854	0.5
451.10416	28.6
451.19690	4.8
452.11261	3.3
452.18515	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1245
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03452	2.0
59.01109	0.7
59.01380	8.8
61.98562	0.4
61.98827	4.1
69.03438	0.6
70.62399	1.0
71.01373	5.0
73.02937	0.9
74.61057	0.4
79.95727	0.5
81.03448	1.5
81.96111	0.4
83.01394	3.1
85.02927	2.3
89.02440	2.4
93.03440	1.0
95.01360	0.8
95.05028	2.3
96.96007	20.0
97.02947	4.3
99.00887	0.5
101.02446	4.0
107.04942	0.7
109.02945	16.0
113.02457	2.3
117.03433	0.4
119.03520	0.6
121.02949	3.8
122.03695	0.7
123.00893	1.1
123.04514	13.7
125.01513	0.8
125.02438	14.8
131.03506	2.6
133.02965	0.5
135.04498	1.5
137.02435	16.6
138.03078	0.7
139.03996	3.2
145.02895	0.9
146.03712	0.7
147.04509	0.5
149.02458	4.4
149.59557	0.4
150.03214	1.5
151.03989	8.2
152.04385	0.5
157.06636	0.5
159.04507	1.8
160.05260	1.3
161.02455	5.7
161.04535	3.0
161.06065	4.0
162.03162	1.8
163.04031	1.4
164.01132	2.8
165.01926	6.5
167.03485	1.7
169.01430	1.5
173.06015	0.7
174.03180	0.6
175.03934	2.1
175.07616	1.3
177.05627	0.8
179.03477	6.0
179.05583	0.9
185.06044	0.6
187.03992	4.2
188.04784	2.7
189.01926	1.9
191.03529	0.6
199.07697	0.5
201.05603	0.8
202.06342	1.3
203.03531	1.0
203.07137	9.7
204.07449	0.5
205.05052	7.1
212.22749	0.4
217.08679	0.8
221.08141	2.0
227.07088	1.7
229.17793	0.4
230.05852	0.8
231.02876	0.5
245.08150	15.2
246.08426	0.5
247.06082	1.0
259.08197	9.3
271.06158	0.9
275.01981	0.6
289.07169	100.0
290.07498	6.2
299.07587	1.1
300.99985	1.0
313.06995	1.6
353.10217	0.5
361.13742	0.9
388.66992	0.4
391.12347	1.6
415.12421	3.2
437.82397	0.5
451.12689	8.9
452.12619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01379	17.2
61.98827	17.8
69.03435	1.0
71.01372	6.5
71.05025	0.8
71.59285	1.3
73.02953	3.1
75.00842	1.3
79.01937	0.9
81.03453	3.7
83.01380	6.4
85.02946	2.6
87.00885	1.5
89.02432	4.5
93.03459	3.6
95.01408	2.7
95.05014	3.5
96.96009	11.1
97.02942	9.9
99.00906	1.3
101.02457	4.5
104.46039	0.9
107.01384	1.3
108.02155	1.6
109.02943	26.6
111.04487	1.5
113.02457	3.5
119.03448	1.7
121.02963	10.2
122.03708	2.4
123.00883	3.6
123.04518	21.4
124.01646	0.9
125.02435	24.7
126.02748	1.7
131.05035	0.8
133.02974	1.3
135.04535	2.9
137.02440	39.1
137.06090	3.3
138.03217	1.4
139.04041	7.3
141.09193	3.1
145.02969	1.1
145.04959	0.9
146.03693	2.1
147.04532	1.8
149.02417	7.8
150.03207	0.9
151.00404	4.3
151.03986	15.9
153.01860	1.4
157.06834	0.9
159.04536	3.2
160.05278	2.7
161.02455	5.0
161.04663	1.9
161.06076	6.5
162.03238	3.6
163.03966	1.9
164.01135	5.2
165.01909	11.7
167.03465	3.4
169.01433	9.3
173.06151	0.9
175.04034	4.3
175.07634	1.9
177.05589	1.3
179.03491	8.5
182.24825	1.1
183.06715	0.8
185.06004	1.6
187.04001	6.6
188.04771	6.8
201.05655	1.6
201.11290	1.2
202.06323	3.6
203.03706	0.8
203.07130	20.3
203.09164	2.6
204.04369	1.1
205.05052	11.6
221.08165	6.4
222.08597	0.9
227.07091	3.0
229.05113	1.1
231.02985	1.4
231.11293	1.3
245.08153	35.6
245.10326	3.2
246.08513	2.5
247.06096	3.2
259.11627	0.9
271.06213	2.9
274.01120	1.1
275.01913	1.1
278.73996	1.0
288.06250	1.0
289.07150	100.0
290.07431	9.3
313.05566	2.1
329.06546	1.4
329.93225	0.9
331.08362	1.3
341.05023	2.0
361.09299	3.3
390.21997	1.0
391.22574	1.6
405.21170	1.0
415.12415	2.9
451.12433	81.1
451.17709	6.2
452.12601	6.9
452.18005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1243
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03433	1.4
59.01370	1.5
59.19537	0.4
61.98826	1.5
67.07746	0.3
71.01373	0.7
71.29911	0.5
81.03452	1.9
83.01375	2.3
85.02927	0.4
87.00871	0.6
88.98837	0.4
93.03429	1.1
95.01406	0.8
95.05041	1.9
96.96008	1.4
97.02960	4.0
105.03513	0.4
107.05011	0.4
108.02203	0.6
109.02947	15.8
121.02935	2.2
122.03729	0.9
123.00903	0.9
123.03628	0.5
123.04517	9.5
125.01515	0.7
125.02437	11.4
135.04555	1.7
137.02432	7.7
139.04018	2.3
145.02975	1.1
146.03697	0.8
147.04523	0.6
149.02443	6.1
150.03113	0.7
151.04012	7.6
159.04523	1.5
160.05266	1.1
161.02409	2.3
161.06075	3.6
162.03227	0.7
163.03999	1.5
164.01144	2.6
165.01917	3.4
167.03459	1.3
169.01392	1.1
173.06035	0.7
175.03975	2.0
175.07594	1.6
177.05574	0.6
179.03499	4.0
185.06146	0.4
187.03993	3.8
188.00964	0.5
188.04799	2.8
189.01982	0.5
189.05226	0.4
191.03505	0.4
193.05022	0.5
199.07596	0.4
201.05698	0.9
202.06325	1.6
203.03499	0.8
203.07133	10.6
204.07465	0.7
205.05061	6.8
221.08218	2.2
227.07120	1.4
230.05838	0.7
231.02913	0.6
245.08159	15.2
246.08514	1.0
247.05994	1.1
260.74554	0.4
271.06030	1.3
289.07162	100.0
290.07474	7.1
312.99377	0.4
313.07312	2.0
355.08182	0.4
389.10919	1.7
415.12354	2.9
451.12509	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	451.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62669	0.5
56.16251	0.4
57.03437	2.1
59.01376	4.0
61.98816	1.6
69.03432	0.5
69.56901	2.9
71.01366	2.0
75.00884	0.5
81.03471	2.3
82.42787	0.5
82.95413	0.5
83.01376	3.3
84.51519	0.4
89.02438	1.8
93.03436	1.3
95.01372	1.4
95.05017	2.6
96.95992	1.2
97.02946	5.9
101.02386	1.3
105.03442	0.6
108.02169	0.5
109.02950	20.3
110.03308	0.6
111.00783	0.5
113.02443	1.0
116.74433	0.4
121.02949	2.8
122.03717	1.3
123.00912	2.2
123.04521	12.7
125.02444	17.9
135.04517	2.0
137.01439	0.9
137.02437	13.0
139.00377	0.6
139.04001	3.5
145.02942	0.8
146.03732	1.3
147.04396	0.5
149.02426	5.3
150.03230	0.7
151.00381	1.1
151.03999	7.9
159.04541	2.5
159.43547	0.4
160.05270	1.4
161.02411	1.7
161.06084	5.0
162.03183	1.5
163.03957	1.2
164.01149	3.5
165.01956	5.2
166.02698	0.6
166.99821	0.6
167.03436	2.0
169.01408	2.1
173.06039	0.9
174.03172	0.6
175.03957	1.9
175.07582	2.4
176.21651	0.4
179.03505	5.8
180.04039	0.5
185.06064	0.9
187.04031	4.1
188.04784	4.0
199.07585	0.8
201.05533	0.9
202.06319	2.5
203.07129	13.5
203.09067	0.7
205.05058	8.3
211.02402	0.5
212.04750	0.7
217.05075	0.6
217.08763	0.8
221.08215	3.4
227.07155	3.0
230.05852	0.9
231.02898	0.6
241.05043	1.0
245.08156	18.1
246.08385	0.8
247.06055	1.4
256.07434	0.8
259.57480	0.4
271.04614	0.6
271.09796	0.8
289.07162	100.0
290.07501	6.7
331.08249	1.1
370.09128	0.5
415.12393	8.7
416.12631	0.6
451.12537	10.4
451.17230	0.5
452.12646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03382	1.6
56.67002	1.3
59.01112	1.7
59.01374	26.5
61.01789	1.6
61.98825	65.1
62.98496	1.7
69.58636	2.8
69.59050	6.3
71.01376	16.3
73.02919	4.3
77.36802	1.5
79.95686	1.6
83.01373	2.7
84.82256	1.3
85.02917	5.4
87.00858	2.6
89.02438	17.6
91.92635	1.3
93.03450	16.4
95.01334	2.8
96.96004	21.3
97.03948	1.6
99.00848	2.3
101.02435	12.9
110.00036	5.1
111.00830	2.7
113.02411	4.7
119.03434	3.6
123.00858	7.3
125.02457	12.5
131.03456	2.0
135.04456	1.4
136.01593	1.7
137.01465	1.7
137.02437	27.0
137.99602	6.9
139.00372	9.9
140.01091	1.9
143.03329	1.6
149.04468	4.8
151.00343	6.9
153.01924	79.3
154.02715	11.0
167.03470	2.3
168.02913	2.3
168.04254	29.2
169.01410	10.3
169.04950	6.3
211.02322	4.0
217.10732	2.9
281.06644	23.7
289.07010	2.8
319.17310	2.7
390.08475	2.6
390.21912	3.9
391.22296	5.3
415.15997	9.5
419.09650	1.8
451.12250	100.0
451.22003	2.6
452.12347	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	451.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03382	1.6
56.67002	1.3
59.01112	1.7
59.01374	26.5
61.01789	1.6
61.98825	65.1
62.98496	1.7
69.58636	2.8
69.59050	6.3
71.01376	16.3
73.02919	4.3
77.36802	1.5
79.95686	1.6
83.01373	2.7
84.82256	1.3
85.02917	5.4
87.00858	2.6
89.02438	17.6
91.92635	1.3
93.03450	16.4
95.01334	2.8
96.96004	21.3
97.03948	1.6
99.00848	2.3
101.02435	12.9
110.00036	5.1
111.00830	2.7
113.02411	4.7
119.03434	3.6
123.00858	7.3
125.02457	12.5
131.03456	2.0
135.04456	1.4
136.01593	1.7
137.01465	1.7
137.02437	27.0
137.99602	6.9
139.00372	9.9
140.01091	1.9
143.03329	1.6
149.04468	4.8
151.00343	6.9
153.01924	79.3
154.02715	11.0
167.03470	2.3
168.02913	2.3
168.04254	29.2
169.01410	10.3
169.04950	6.3
211.02322	4.0
217.10732	2.9
281.06644	23.7
289.07010	2.8
319.17310	2.7
390.08475	2.6
390.21912	3.9
391.22296	5.3
415.15997	9.5
419.09650	1.8
451.12250	100.0
451.22003	2.6
452.12347	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	451.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12751	1.8
55.01881	1.8
57.03427	3.4
59.01376	60.2
61.98822	19.0
65.82676	1.6
71.01382	39.1
71.59312	2.2
72.99295	2.8
73.02934	12.6
75.00883	2.9
79.95700	1.9
81.03447	4.0
83.01369	9.6
85.02952	13.4
85.03423	2.4
87.00876	4.4
89.02444	11.8
93.03439	4.1
95.01375	5.1
95.05025	3.1
96.96011	39.3
97.02943	6.1
99.00889	7.7
101.02431	35.3
109.02937	20.3
111.00856	2.0
113.02440	16.4
119.03491	3.2
121.02918	2.9
123.00867	4.8
123.04532	14.7
125.02434	24.4
131.03497	27.1
137.02455	17.8
139.00334	2.3
139.03999	3.9
141.01909	2.9
143.03531	1.9
149.02411	6.8
151.00415	3.9
151.03940	7.3
159.02983	4.2
159.04462	2.8
161.02393	6.2
161.04565	24.4
161.06015	5.0
164.01108	2.0
165.01848	3.9
167.03519	1.9
169.01373	11.6
170.97691	1.7
175.07693	2.0
179.03453	5.7
187.03989	4.6
188.04688	3.9
201.02245	2.3
203.07153	12.0
205.05093	8.6
221.08263	1.9
227.07117	2.2
241.04977	1.7
245.08183	15.6
247.06192	2.2
259.08197	82.1
260.08420	5.5
271.09659	1.7
289.07175	100.0
290.07486	5.2
299.99271	2.0
300.99829	7.1
313.05670	3.1
331.07516	1.6
336.21289	1.6
361.13904	2.1
390.76532	2.1
391.12390	21.8
405.42905	1.6
412.87531	1.7
415.12347	24.4
416.12195	2.1
451.12683	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	451.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01374	10.3
61.98820	3.7
65.03951	1.0
67.01904	1.0
69.03453	2.0
71.01379	14.5
71.59683	1.1
72.99316	1.9
73.02943	8.5
75.00867	27.1
81.03454	4.5
83.01382	12.6
83.05010	7.2
85.02937	5.5
87.00885	2.0
89.02433	5.3
89.48686	0.7
93.03455	21.7
95.01382	2.0
95.05022	2.8
96.96001	9.4
97.02937	5.0
99.00875	2.8
99.04513	2.4
99.76347	0.7
101.02443	3.7
107.05030	4.2
109.02950	14.7
111.00864	6.3
111.04512	22.7
113.02406	3.8
113.06087	3.0
119.03468	2.3
121.02898	1.8
123.00867	2.2
123.04518	5.5
124.63527	0.8
125.02429	7.6
125.06089	3.2
129.01938	1.3
133.05058	0.7
135.04521	5.4
136.99040	0.8
137.02446	12.4
139.00348	0.8
139.04012	2.8
141.01923	1.1
141.05547	1.4
143.03490	1.8
145.02968	0.7
149.02449	1.2
150.03162	0.9
151.00357	0.9
151.04004	5.2
153.01938	3.5
153.05579	4.9
154.02660	1.3
155.03496	30.7
161.02443	2.1
161.04584	1.1
161.06042	0.9
162.03275	1.1
163.04045	0.9
164.01207	1.4
165.01901	1.7
165.05560	1.1
167.03400	1.5
169.01410	2.0
169.05014	1.6
171.06635	1.1
173.04529	21.4
173.82741	0.8
175.03926	0.9
179.03471	4.5
179.05566	1.1
187.03912	0.7
188.04735	0.8
195.06606	2.8
197.04555	12.4
201.01926	0.8
203.07181	2.4
205.05052	2.7
215.05568	9.5
215.56714	0.7
217.01469	1.0
229.01645	2.2
245.00844	1.3
245.08298	3.9
288.13574	0.8
289.03903	1.4
289.07156	25.5
290.07587	1.7
295.10358	4.7
300.99948	1.2
307.00653	0.8
331.08286	0.8
361.14218	0.9
415.12430	4.2
451.04199	3.6
451.14551	100.0
452.14951	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	451.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.3
60.01706	0.3
61.98827	100.0
62.98528	1.7
62.99250	0.7
63.96251	0.2
63.99254	1.4
71.01388	0.9
73.02945	0.3
76.82858	0.2
81.09692	0.2
83.07915	0.2
85.02975	0.2
89.02432	0.4
93.03462	0.5
96.96043	0.4
97.02947	0.2
101.02451	0.4
105.51907	0.2
109.02984	0.3
113.02465	0.3
124.01672	0.3
125.02439	5.2
126.02740	0.3
135.98323	0.2
137.02426	1.5
149.02464	0.2
153.01979	0.3
165.01968	0.3
168.00650	0.7
169.01430	6.6
170.01767	0.3
179.03554	0.3
184.34665	0.2
210.89653	0.2
235.47733	0.2
245.01004	0.4
271.04819	0.3
273.00476	0.4
304.07159	0.5
331.06647	1.3
370.09222	0.9
391.22021	0.2
451.08502	4.3
451.17059	0.4
452.09344	0.4
478.60016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.3
60.01710	3.1
61.98827	100.0
71.01379	5.3
71.59316	0.8
72.01756	0.6
72.99305	0.8
73.02948	1.3
75.00877	0.6
79.95727	0.6
83.01408	0.8
85.02956	1.8
87.00885	0.8
89.02441	3.3
96.96013	5.0
99.00863	0.9
101.02428	2.6
113.02433	2.5
114.02799	0.8
119.03542	1.1
119.04989	0.6
135.04515	0.5
161.04556	2.7
166.05154	0.6
169.43932	0.6
181.05089	0.9
284.23026	0.5
342.80887	0.5
389.25293	0.5
391.23001	1.2
392.23694	9.3
393.24042	1.0
396.40442	0.6
401.62933	0.6
417.15497	0.6
452.17862	1.0
452.23254	1.0
453.17627	1.7
453.22531	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	452.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88852	0.2
53.44002	0.3
56.99037	0.3
59.01370	2.0
60.92658	0.3
61.98827	100.0
69.54433	0.6
69.54836	1.7
71.01389	1.2
73.02953	0.4
75.00903	0.3
79.95759	0.4
83.01376	0.4
85.02973	0.6
86.79723	0.2
89.02466	0.7
93.82809	0.3
96.96010	5.7
96.96599	0.4
99.00880	0.3
101.02431	0.9
102.71626	0.3
113.02449	0.7
125.02440	0.3
161.04651	0.5
169.01347	0.5
177.01991	0.3
179.03375	0.3
241.44615	0.3
255.18265	0.3
285.12512	0.6
295.63901	0.3
321.19290	0.9
392.23434	0.5
423.13504	0.3
452.19629	1.0
453.22134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
61.98828	100.0
63.99257	0.4
69.50959	1.7
71.01382	2.7
72.99341	0.2
73.02953	1.1
79.95759	0.4
83.01385	0.6
85.02956	1.9
89.02446	1.3
93.03475	1.0
94.03826	0.3
95.01418	0.3
96.01688	0.2
96.96008	2.5
97.02948	0.3
99.00879	0.3
101.02434	2.7
107.01386	0.4
109.02960	0.3
113.02430	1.2
119.04999	0.3
120.99656	0.5
123.00938	0.4
123.04500	0.6
124.04875	0.3
125.02434	2.0
126.02804	0.6
131.03519	2.4
137.02434	1.7
138.02835	0.6
143.03468	0.4
145.08716	0.4
149.62189	0.2
151.00403	0.9
151.25407	0.2
152.00658	0.2
153.05606	0.5
154.02220	0.3
154.05927	0.5
158.12102	0.3
161.04547	0.9
162.04962	0.3
165.01990	0.4
169.01437	1.4
170.01759	0.8
178.99762	0.2
179.03529	1.1
180.04085	0.6
195.06706	0.6
225.07745	0.3
239.05637	0.3
240.05928	0.3
243.96873	0.4
255.03052	0.4
256.03406	0.4
261.13434	5.9
271.02505	0.4
274.01025	0.4
290.04166	0.3
295.88602	0.3
300.02667	0.6
301.03412	0.7
302.03751	0.4
385.59714	2.5
386.09723	0.8
392.22699	0.4
393.17609	1.5
451.61746	2.0
452.08524	5.8
453.09430	0.7
453.18646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
59.02608	0.2
61.98822	0.3
62.96402	0.3
70.62212	0.2
71.16275	0.2
74.38123	0.2
78.95901	15.9
96.95960	0.2
122.00140	0.9
122.98520	0.2
136.14101	0.2
140.01184	4.9
143.53964	0.2
152.99561	1.3
153.27768	0.2
171.54893	0.2
189.12869	0.2
196.03790	9.9
214.04857	2.3
232.50169	0.2
255.23274	100.0
256.23605	6.7
292.67014	0.2
295.55893	0.2
297.45071	0.2
334.23691	0.2
452.27786	30.6
453.28122	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	453.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26420	0.6
51.57802	0.6
59.01360	4.2
61.98814	2.0
69.78837	0.7
71.01360	1.5
71.61483	0.6
74.70275	0.7
75.76731	0.6
85.02969	1.4
96.96010	4.5
111.23469	0.7
124.53379	0.6
147.54320	0.6
160.89372	0.7
162.72121	0.7
244.00079	1.5
284.96582	3.3
299.99048	9.8
312.96225	14.9
313.96640	1.2
318.74344	0.7
327.98575	37.0
328.98871	2.7
329.26764	0.7
343.00897	77.9
344.01166	5.5
358.03226	32.9
358.07712	1.0
359.03497	2.5
373.05597	100.0
373.26071	1.1
374.05954	8.0
453.01300	3.4
453.21994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
59.01379	1.7
61.98823	2.9
62.07468	0.2
69.93531	0.6
71.01377	0.7
72.01054	0.1
73.02943	0.4
76.49105	0.2
79.95730	6.9
80.96515	0.4
83.01350	0.2
85.02951	0.4
93.03443	0.3
95.95242	0.4
96.96004	100.0
97.95932	0.3
98.95596	0.2
101.02434	0.6
107.05005	0.2
109.02967	0.2
110.97607	0.4
110.98470	0.2
113.02405	0.3
117.97276	0.2
121.02950	0.5
125.02438	0.6
134.03714	2.6
135.04457	0.4
137.02454	1.1
139.04033	0.2
147.04510	0.3
149.02425	0.2
149.06081	1.2
151.04008	0.5
160.79973	0.2
161.04573	0.2
164.01294	0.2
165.01840	0.2
176.04810	0.3
178.02710	2.2
178.61668	0.1
179.03391	0.3
189.05467	0.2
193.03311	0.4
193.05045	5.8
193.09863	0.2
194.05312	0.3
230.99588	0.2
259.02765	0.4
267.06378	0.2
268.07278	0.4
269.08221	1.1
283.09760	1.6
284.10492	0.2
321.19199	0.2
328.09576	0.5
340.09418	0.4
343.11728	0.7
355.11768	0.4
417.15582	0.7
423.20627	0.2
453.08542	36.3
453.21841	5.0
454.08862	3.4
454.22012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76594	0.3
55.01863	0.5
59.01380	1.0
65.00322	0.4
67.01883	1.1
68.99841	0.4
69.03466	0.9
69.27274	2.9
69.27600	0.4
71.01381	3.3
71.57220	0.3
72.99302	0.9
73.02950	0.7
73.84417	0.3
79.01891	0.8
81.03481	0.5
83.01379	1.0
85.02935	1.7
95.01353	1.6
97.02968	0.9
99.00886	0.7
100.78324	0.2
101.02428	1.3
107.01382	7.3
110.00076	0.6
111.00884	3.0
113.02448	1.0
121.52897	0.3
123.00878	16.7
124.01661	23.0
125.02445	38.1
126.02766	1.3
127.00394	1.4
136.98817	1.8
137.02423	1.0
138.03214	1.5
138.05617	0.3
139.00377	5.6
139.03999	9.8
140.01144	5.1
141.01970	1.5
146.96104	0.3
151.00366	7.7
151.04031	0.8
153.01921	0.8
154.99870	0.3
165.01877	0.3
166.99886	0.3
167.03514	0.6
168.00630	7.2
168.02016	0.6
169.01414	45.0
170.01765	1.5
170.17413	0.3
179.03482	0.4
183.02998	4.1
211.02492	1.3
223.02478	0.7
225.04050	0.9
241.03670	0.7
253.03508	1.0
285.06201	1.2
297.06113	2.8
313.02191	0.6
313.05643	8.4
314.06058	0.6
327.07281	1.7
417.13986	0.4
453.10327	100.0
454.10629	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	453.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00428	1.1
57.00407	0.9
57.03433	3.0
59.01106	1.1
59.01379	16.7
61.98828	40.0
66.19960	0.9
69.48533	6.1
70.38879	1.0
71.01376	10.0
72.99291	1.1
73.02939	3.2
75.00889	1.3
78.25855	0.9
79.95722	4.1
81.03439	2.8
83.01377	6.5
84.01707	0.9
85.02938	3.7
87.00852	2.0
88.98755	1.2
89.02450	6.0
93.03456	11.4
94.03773	1.8
95.01370	1.6
95.05015	1.9
96.96004	100.0
97.02962	6.6
98.95589	1.2
99.00909	1.8
101.02436	8.3
108.02153	1.4
109.02222	1.4
109.02942	22.7
110.03281	1.2
113.02419	3.4
119.03595	1.0
119.04247	1.6
119.05023	20.7
120.05360	0.9
120.99601	1.7
121.02925	4.3
122.03694	2.7
123.00890	2.7
123.04513	18.8
125.02451	15.2
131.03482	3.0
133.06558	3.4
135.04510	3.1
137.02441	13.0
138.02815	1.7
139.00310	1.3
139.03986	3.5
143.05006	1.5
145.02959	3.2
146.03714	1.0
147.04529	1.0
147.06654	2.0
149.02470	4.5
150.03191	1.3
151.00339	1.5
151.03995	11.4
153.01968	1.1
159.04468	4.1
159.08147	2.2
160.04030	1.3
160.05247	1.6
161.02431	2.6
161.04672	1.7
161.06033	9.5
162.03172	2.0
163.04015	5.3
164.01157	3.0
165.01912	6.9
165.05522	1.1
167.03503	2.0
169.01411	5.0
170.96773	1.0
171.01913	1.1
175.03966	2.9
175.07526	1.2
177.01840	1.1
177.05505	1.6
179.03467	6.1
179.05618	1.1
180.04102	1.8
187.04036	4.4
188.04767	3.6
191.03435	1.7
195.06567	1.7
199.07600	1.4
202.06305	2.0
203.07108	21.0
204.07396	1.6
205.05022	13.5
221.08249	2.3
225.07573	2.6
227.07098	1.7
229.08748	1.6
231.03030	2.6
240.06047	1.1
245.08134	13.7
247.06035	3.7
249.06226	1.0
261.13431	4.9
271.09756	1.1
289.07166	83.8
290.07275	5.2
291.12610	1.3
307.17532	4.4
315.08768	20.2
316.09048	1.7
341.06534	5.9
365.03143	1.4
385.72311	0.9
386.59686	1.2
393.17349	4.4
393.28555	1.5
417.13818	1.7
435.10764	3.7
452.61761	3.8
453.11435	19.6
453.17935	84.6
454.12476	2.6
454.18259	7.1
473.58362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
58.73423	3.4
59.01371	20.8
61.98832	25.1
66.98031	3.7
69.53904	30.6
71.01376	19.7
72.56730	4.2
72.99332	4.0
75.00874	9.1
79.95734	4.6
83.01353	5.4
85.02963	14.1
87.00867	6.6
89.02439	10.7
93.03478	8.3
96.96004	50.2
99.00858	8.0
101.02459	11.0
107.01390	9.7
111.00885	6.1
113.02471	11.7
113.80568	4.0
123.00889	28.5
124.01680	23.8
125.02444	45.6
135.06552	4.4
137.02434	31.7
138.05591	14.3
139.00317	9.3
139.04007	10.1
140.01201	4.4
151.00365	15.5
153.01859	4.2
161.02451	6.1
168.00659	7.5
169.01413	41.6
171.32143	3.8
183.03052	5.7
195.80551	4.5
203.12837	27.0
249.06065	6.2
305.11298	9.5
313.05649	8.4
417.13983	100.0
418.14505	9.2
453.10306	93.0
453.18674	62.8
454.10764	12.5
454.19672	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	453.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57474	0.3
54.10887	0.3
54.14143	0.4
59.01379	4.3
60.12909	0.3
61.98828	9.9
71.01371	3.1
72.48757	0.3
72.99313	0.5
73.02940	0.6
79.95731	2.8
85.02956	0.8
89.02442	3.1
89.51175	0.3
96.96006	100.0
98.20632	0.8
101.02449	2.0
111.04478	0.3
112.28195	0.3
113.02483	0.8
118.99287	0.3
119.03500	0.9
123.04475	0.3
125.02415	0.7
131.03471	0.9
137.02499	0.4
138.05600	0.5
139.05956	0.4
149.04515	1.6
153.05522	0.4
161.04643	0.6
165.01862	1.8
169.01453	0.6
179.05626	0.6
180.04268	1.2
195.06570	3.0
207.66931	0.3
243.08711	1.0
261.13370	0.4
273.11664	1.1
321.19138	1.5
393.17596	1.5
418.84933	0.3
452.61517	0.4
453.17975	65.2
454.18277	6.1
454.24127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1796
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
50.00406	0.2
52.86122	0.2
53.69740	0.2
59.01363	0.3
59.62745	0.2
69.22157	1.7
79.95737	3.7
92.82375	0.2
94.14636	0.2
95.95230	1.2
96.96005	100.0
97.95955	0.2
178.90875	0.2
212.07047	0.2
243.41586	0.2
246.43405	0.2
249.91673	0.2
252.56741	0.2
257.08356	0.4
273.11661	1.9
291.12625	0.3
296.09308	0.2
333.13876	0.2
364.79449	0.2
408.18884	0.2
453.17950	79.2
454.18256	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	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00636	0.9
52.86369	0.7
55.01878	0.9
57.03442	0.9
58.00594	1.4
59.01376	100.0
60.01714	1.0
61.98826	10.7
64.08765	0.9
69.21349	1.7
69.21760	6.1
71.01378	39.1
71.01773	1.9
72.99297	3.0
73.02938	3.7
79.95723	1.8
83.01392	2.8
85.02940	7.7
85.28604	1.0
85.83762	0.7
87.00860	2.8
89.02438	67.2
93.03471	1.3
95.01385	1.2
96.92625	0.8
96.96000	18.3
98.95549	0.8
99.00891	2.1
101.02436	25.3
113.02444	13.5
113.03175	1.6
119.03494	17.4
120.83437	0.9
120.99520	1.0
123.04539	1.3
125.02437	2.0
129.01987	1.5
131.03505	46.0
132.03757	1.2
137.02438	2.5
143.03482	3.7
149.04543	29.0
153.05586	1.2
161.04546	5.5
165.01846	1.8
169.01424	1.6
179.03516	1.5
179.03754	1.7
179.05589	22.0
191.05605	16.2
195.06645	1.5
221.06708	2.1
225.07661	1.3
251.07626	2.8
261.13379	13.1
273.11624	3.2
281.09012	1.0
311.09692	1.2
333.11911	1.1
348.09634	0.9
359.62808	1.0
393.17624	20.4
394.18057	1.0
450.18411	1.0
453.09045	1.3
453.18579	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	453.2259
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
55.63269	4.6
59.01371	48.8
61.98814	21.6
69.03458	5.7
71.01381	18.5
71.61754	6.4
73.02932	18.5
75.00810	5.5
79.95720	11.3
85.02941	10.6
89.02419	6.9
96.96006	100.0
101.02432	17.9
103.03988	7.5
109.02950	10.8
113.02431	11.0
121.94153	5.3
137.02437	11.8
149.06047	8.7
151.03961	11.4
155.10757	6.9
161.04431	7.1
201.32823	5.2
216.99043	5.1
247.66319	4.9
273.84851	5.2
285.04059	5.0
290.07416	5.9
321.19006	5.9
358.27963	5.1
361.20261	6.2
453.22540	87.4
454.22577	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	453.336
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.01875	0.1
57.22646	0.1
60.99301	0.4
61.98816	0.1
68.87575	0.1
69.59808	0.2
69.60224	0.2
71.05016	0.7
78.61891	0.1
83.04997	0.1
85.06572	0.1
95.05032	0.1
97.06586	3.2
98.06922	0.1
98.20601	0.1
100.01792	0.1
153.57005	0.1
191.14388	0.2
257.74936	0.1
307.24274	0.1
319.24271	0.1
329.76010	0.1
355.26422	0.2
373.25269	0.2
374.26147	0.2
375.26666	0.4
377.28372	0.2
383.29538	0.1
389.24072	0.1
389.28561	0.8
391.30020	5.5
392.30414	0.5
403.25616	0.1
403.30206	0.3
405.31644	3.5
406.32028	0.4
407.33136	10.7
408.33459	1.2
421.31433	0.1
423.28812	1.1
424.29355	0.2
425.34232	0.2
435.29282	0.1
437.30536	1.0
438.30908	0.1
439.32108	1.1
440.32428	0.1
441.33704	2.7
442.34094	0.3
451.32172	0.7
453.33679	100.0
454.34021	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
60.99306	0.1
61.98829	0.2
68.30318	0.1
69.89876	0.1
71.05010	0.4
73.11250	0.1
85.06586	0.1
97.06581	2.8
100.72830	0.1
112.19441	0.1
155.58118	0.1
158.24348	0.1
184.46593	0.1
233.78654	0.1
307.24057	0.1
355.26340	0.2
373.25284	0.2
374.26025	0.2
375.26816	0.3
377.28680	0.2
389.28516	0.6
391.30078	5.5
392.30396	0.4
403.30096	0.3
405.31619	3.1
406.31940	0.4
407.33151	9.7
408.33466	1.0
423.29013	1.1
425.34290	0.2
435.28461	0.2
437.30450	1.0
439.32172	1.2
441.33527	0.7
451.32114	0.5
452.31744	0.2
453.33710	100.0
454.34045	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	453.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
67.78006	0.7
69.86679	3.4
83.43501	0.6
89.51496	0.7
147.61813	0.7
391.30103	0.9
405.31540	1.0
407.33212	2.7
441.33737	12.0
442.34109	1.5
453.33728	100.0
454.34033	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	453.3369
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.50630	0.2
63.31263	0.2
71.42253	0.2
71.51810	0.3
97.06596	0.7
102.73759	0.2
107.90601	0.2
112.23352	0.2
176.63426	0.2
205.21013	0.3
224.26027	0.2
279.23352	0.5
391.30551	0.2
405.31699	0.3
407.33197	1.4
408.33502	0.3
417.91641	0.2
453.33691	100.0
454.34039	13.3
454.40518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25494	0.2
59.01367	0.5
61.98827	100.0
69.56097	1.7
89.71607	0.3
103.52641	0.3
119.40281	0.3
128.67191	0.3
269.73514	0.3
413.16220	0.3
421.07745	0.3
455.35687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22192	0.4
52.62143	0.5
59.01381	0.9
59.50522	0.4
61.98827	100.0
66.69357	0.5
67.73177	0.4
71.05716	1.4
150.04398	0.4
186.34036	0.5
380.26556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	31.9
61.98819	2.8
62.36431	0.6
69.03454	1.2
69.44798	4.4
71.01375	15.4
72.99291	1.9
73.02953	3.1
74.83664	0.7
75.00861	1.5
79.95735	8.9
80.96531	4.2
81.03455	1.1
83.01379	1.4
85.02969	3.8
87.00865	1.1
89.02438	18.4
93.03447	1.1
94.98090	1.1
95.95246	4.4
96.96004	100.0
97.02951	2.2
98.19781	0.7
98.95584	0.8
99.00890	4.3
99.04510	0.7
101.02438	3.7
102.98615	0.7
108.02153	1.8
113.02451	4.3
115.03956	1.4
117.01851	0.7
119.03521	1.0
119.05011	2.4
119.54155	0.6
121.02966	2.0
122.97574	21.9
123.00854	1.9
123.04514	4.9
124.01660	1.6
125.02443	12.4
131.03477	2.1
134.03764	0.8
135.04504	10.0
136.05301	6.3
137.02397	0.9
139.04013	0.8
143.03513	0.7
149.04549	3.3
151.00372	0.8
151.03964	2.1
151.07591	3.1
153.01950	0.9
161.04617	1.8
161.06059	13.8
162.03198	1.4
163.03995	1.5
164.04764	1.5
169.01434	1.0
177.05524	1.4
179.07056	1.0
191.05568	2.4
195.06613	30.5
196.06918	1.7
198.79486	0.6
205.12350	1.3
215.10481	0.6
233.06619	5.7
249.06273	1.5
259.02786	25.3
260.03070	1.4
260.58591	0.7
267.07159	1.6
293.08835	9.9
300.99817	2.1
334.75101	0.7
417.15424	0.9
455.10184	68.4
455.18845	3.4
455.23651	2.1
455.56454	0.8
456.10303	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	455.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.8
59.01378	56.0
61.98819	5.3
69.48331	24.6
71.01378	57.2
72.99296	11.5
73.02935	9.9
75.00871	28.1
81.03445	5.1
83.01385	6.4
85.02943	50.9
87.00862	17.5
89.02441	14.4
93.42357	3.2
95.01398	11.2
96.96011	13.4
98.19858	4.2
99.00880	26.0
101.02431	6.8
103.00403	6.7
113.02448	70.1
113.06114	4.2
117.01945	9.7
117.03423	7.3
129.02036	4.9
133.01437	3.8
144.05809	10.7
145.02950	27.6
149.09729	14.3
159.08168	32.0
161.09721	30.9
163.04022	3.8
175.02480	7.0
179.10764	81.5
180.11009	4.4
193.03584	6.9
205.07004	6.5
206.80946	3.4
231.05057	4.4
239.20715	3.9
239.62088	4.1
243.26987	3.7
249.06097	23.0
257.04486	3.5
258.27515	3.7
285.03964	30.7
312.96298	3.6
317.13571	3.5
327.98721	8.1
329.99200	4.1
343.00958	17.3
344.01132	3.4
345.01541	10.4
358.03229	8.9
373.05713	25.2
375.06271	10.9
411.16733	4.2
455.15488	100.0
456.15936	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	455.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10445	1.1
55.01866	1.3
58.00597	1.9
59.01377	57.7
69.03445	2.3
71.01380	41.3
72.99290	2.5
73.02944	4.5
74.99099	2.8
75.00858	2.1
78.95899	30.5
79.95742	1.1
81.03446	2.3
82.95401	1.2
83.01384	2.7
85.02944	6.3
87.00853	1.6
89.02441	60.7
93.03484	2.1
95.01394	2.0
96.96030	5.3
96.96953	35.0
97.02946	5.0
98.20676	2.4
99.00884	2.4
101.02442	16.0
101.06078	100.0
102.02768	1.1
102.06423	2.5
107.01418	1.6
110.11957	1.0
111.00874	1.4
113.02441	8.0
113.03120	1.3
113.04182	0.9
118.98064	4.2
119.03513	4.7
123.00896	2.1
124.01701	1.2
125.02450	25.8
129.01936	1.3
131.03516	21.3
136.99135	1.8
137.02451	4.3
138.03185	1.3
138.05565	2.8
143.03531	1.8
149.04555	22.3
149.89658	1.1
155.03427	1.7
161.02435	1.0
161.04633	1.9
164.07187	1.4
165.01938	1.2
169.01440	5.9
169.11221	1.0
170.01605	1.3
170.69360	1.1
179.05472	1.4
180.04276	1.2
181.05089	2.4
191.05632	6.4
199.00105	4.0
204.07718	1.1
212.08249	1.9
213.01627	5.6
233.06789	1.6
241.07336	1.7
255.08817	2.0
260.46552	1.2
293.08777	31.2
294.09155	2.4
300.99954	1.4
367.33524	1.1
395.15564	11.6
417.13831	5.9
455.10028	21.9
455.16055	2.3
456.09805	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	455.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.9
61.98814	4.6
69.03455	1.8
70.02939	1.6
70.03284	6.4
71.01382	13.7
72.93497	1.3
73.02927	2.6
73.83333	1.2
75.00862	1.5
79.95754	1.5
80.96523	1.7
85.02940	12.2
87.00854	4.0
88.42883	1.3
89.02439	6.7
93.03452	4.1
96.96008	20.6
98.20042	2.3
98.20554	1.7
99.04527	1.5
101.02436	6.7
102.98594	1.7
111.04469	1.5
113.02419	5.8
119.03548	1.8
121.94672	1.4
123.00848	1.5
125.02444	7.3
131.03491	3.2
137.02455	2.4
140.63702	1.4
149.04488	2.5
161.02415	3.4
161.04533	5.0
169.01355	1.7
175.00313	1.7
177.01894	2.2
179.05562	3.5
191.05605	100.0
192.05937	1.9
196.80730	1.3
202.99870	4.2
205.01463	3.4
219.66000	1.4
230.99277	6.0
263.11215	3.6
383.07358	2.1
395.15500	4.4
411.05521	2.2
419.12421	2.0
437.03378	2.7
455.08859	1.9
455.15915	1.9
455.35278	4.6
456.11908	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	455.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
57.03423	1.1
59.01376	53.9
61.84136	0.9
61.98830	4.7
69.03461	1.5
69.25074	0.9
71.01378	26.0
72.99310	1.4
73.02943	15.3
83.01381	10.0
84.37536	0.8
85.02943	15.8
87.00873	2.6
89.02452	5.0
95.01391	1.0
96.96001	2.5
97.02917	1.5
98.86025	0.9
99.00864	5.0
101.02441	39.6
103.03971	1.5
109.02961	1.3
111.00878	1.8
113.02450	13.1
119.05014	1.3
125.02441	2.7
145.02934	2.6
152.01068	1.0
159.02937	3.7
161.02477	1.2
161.04552	10.6
161.05923	1.4
163.04037	2.0
249.13406	61.1
250.13838	1.7
275.01691	0.9
347.26678	1.1
375.14661	1.0
390.52658	1.1
395.19171	100.0
396.19458	6.1
455.11316	4.0
455.19739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.6
57.03443	3.4
58.00587	1.7
59.01377	75.6
61.98822	19.5
69.03455	2.0
71.01377	38.3
71.59003	2.4
72.11502	1.2
72.99308	2.9
73.02952	17.2
79.95735	3.2
82.20592	1.1
83.01397	13.4
85.02944	21.4
87.00851	3.3
89.02448	7.7
95.01393	2.8
96.96008	48.4
97.02921	2.2
97.06599	1.8
98.82262	1.5
98.95587	22.9
98.96426	3.7
99.00869	8.6
101.02434	46.9
103.03964	2.0
108.02195	2.6
109.02932	3.1
111.00883	3.0
113.02436	22.4
117.03419	1.4
119.03532	2.1
120.99681	1.9
121.02882	2.1
123.00845	3.6
123.04510	5.4
125.02441	6.3
131.03502	13.3
137.02472	3.1
143.03496	1.6
145.05067	1.5
147.04498	3.4
149.02437	1.2
151.03886	1.5
152.01128	2.0
153.01978	1.7
153.05563	3.5
159.02956	4.0
161.02464	2.4
161.04529	15.1
168.00616	2.6
169.01364	5.3
179.03416	1.6
187.04016	1.5
191.03450	3.2
211.02461	8.2
219.10255	2.8
222.13391	1.3
230.05269	1.3
249.13402	58.3
250.13806	2.7
263.14978	30.9
271.04593	11.5
275.01959	2.7
300.99911	3.7
301.03604	1.4
304.68866	1.3
331.06592	1.8
375.14508	1.9
390.52646	1.6
392.18683	1.3
395.19171	100.0
396.19501	7.4
401.12512	1.4
416.67883	1.4
455.10791	1.5
455.18881	20.7
456.18433	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	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67104	0.9
55.01870	3.2
57.03444	2.4
58.95950	1.0
59.01376	85.2
59.73056	0.9
60.01703	0.9
61.98820	2.9
69.59836	6.7
71.01375	25.0
73.02937	11.6
75.41705	0.8
79.95757	1.6
83.01387	6.6
85.02942	17.2
86.00088	1.1
87.00858	1.4
89.02442	4.5
95.01358	1.1
96.95994	8.0
98.19942	1.7
99.00883	6.1
101.02438	41.3
111.00902	1.4
113.02444	13.4
117.03506	1.0
119.05040	2.9
123.00860	0.9
125.02444	1.4
131.03488	49.0
132.03831	1.1
133.06572	1.3
137.02470	1.2
143.03502	2.2
145.02921	2.7
159.02936	2.5
161.04533	10.8
161.05905	2.2
163.04010	3.8
171.10402	1.0
177.05496	1.5
205.05089	1.9
211.02443	1.1
263.14975	100.0
264.15216	6.1
271.04639	1.3
288.74072	1.0
300.99985	1.3
307.13788	1.1
309.11914	1.4
369.10272	1.0
390.52499	1.9
395.19229	26.6
396.19705	1.9
425.22144	1.3
455.10150	1.2
455.14667	5.2
455.23373	2.0
474.48917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89035	0.3
65.28725	0.3
65.70361	0.3
85.69886	0.3
258.88416	0.3
455.35272	100.0
456.35611	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	455.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44775	0.2
70.90311	0.3
95.06769	0.2
123.74311	0.2
151.66759	0.2
208.08720	0.2
244.25545	0.2
407.33102	1.3
455.35245	100.0
456.35611	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	456.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01374	2.2
60.01732	0.4
61.98827	100.0
69.53728	1.6
71.01376	1.1
79.95744	0.6
79.96708	0.3
85.02975	0.5
89.02444	1.1
89.68633	0.3
93.03480	0.3
96.96021	2.1
98.20625	0.4
98.95590	0.5
101.02463	0.8
104.05038	0.6
107.76129	0.3
109.02943	0.4
113.02444	0.4
119.05013	0.6
120.37762	0.3
121.02925	0.3
123.00867	0.6
125.02431	0.4
135.04547	0.5
137.02455	0.5
148.04050	1.2
149.02412	0.4
149.04515	0.3
149.06055	0.3
157.90007	0.3
161.04518	0.4
161.06108	0.3
163.06180	0.3
166.05110	2.8
169.01366	0.7
183.19864	0.3
205.05139	1.3
205.68030	0.3
210.04068	1.3
257.13889	0.3
396.18573	0.4
419.19336	0.7
420.19604	0.5
456.15579	1.1
457.12833	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	457.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49768	1.1
59.01374	17.9
59.74601	1.2
61.57792	1.2
61.98827	29.5
67.65685	1.0
71.01384	9.7
71.60155	1.2
71.81338	1.3
72.99294	1.3
73.02926	2.2
79.95739	21.8
80.96540	2.0
81.71532	1.2
85.02960	3.1
86.78638	1.1
87.00871	2.8
89.02447	9.9
93.03443	1.2
95.95223	2.3
96.96008	63.2
101.02468	7.2
109.02939	1.7
110.97568	1.3
111.00896	1.7
113.02443	4.3
119.03460	2.9
119.04977	1.5
121.02936	4.1
122.03734	3.1
123.00859	4.9
123.04510	2.8
125.02483	6.1
133.02963	3.5
134.03735	1.6
135.04533	13.9
137.02432	3.3
137.06065	4.3
139.00377	2.3
149.02428	30.9
149.06122	3.3
150.03229	18.8
151.00346	2.8
151.03915	1.6
161.02454	10.0
161.04526	1.2
164.03659	1.1
164.04829	8.4
165.05556	25.0
168.00645	2.3
169.01387	9.7
177.05576	4.5
179.03497	11.8
181.05054	5.5
195.06583	4.7
203.00227	2.7
211.02463	2.8
221.04512	2.8
245.01262	3.2
251.05675	2.1
251.13953	1.6
259.02682	4.0
260.03580	4.3
271.04596	2.7
275.02344	3.3
281.06686	3.6
295.10364	12.7
305.12555	1.6
314.11588	16.4
314.70267	1.3
329.13870	22.8
330.14267	2.1
340.34329	1.4
397.19611	4.3
413.14639	1.7
439.12213	2.8
457.12186	100.0
457.40613	1.5
458.12592	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	457.117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.1
61.98831	4.8
71.01383	3.5
72.29015	0.5
73.02964	0.6
79.95734	33.4
80.96507	2.0
85.02976	0.8
87.00887	1.8
89.02454	2.1
95.05042	0.7
95.95265	1.6
96.96011	25.9
98.19919	1.5
101.02437	1.9
107.05017	1.4
108.02125	0.8
109.02943	2.0
113.02446	1.4
119.03509	1.2
119.05001	0.6
121.02946	2.9
122.03719	3.3
123.00916	1.7
123.04525	1.6
125.02432	3.5
133.02962	1.2
134.03674	0.7
135.04526	8.3
136.99011	0.6
137.02469	6.2
137.06084	2.9
137.31725	0.6
138.03241	1.3
139.00391	0.9
145.03021	0.7
145.79648	0.6
147.04549	2.1
149.02435	39.7
149.06052	0.8
150.03218	19.0
151.00377	0.8
151.03926	1.2
153.01936	2.2
153.05524	0.6
154.02696	0.7
161.02451	2.1
161.06068	1.6
163.03973	1.3
164.04776	10.9
165.05556	20.2
166.06384	1.3
167.07176	2.1
168.00745	0.7
169.01393	3.5
177.05550	1.7
179.03516	1.9
179.07181	1.9
180.04271	2.5
181.05064	8.1
181.08694	1.7
194.05885	0.8
195.06639	7.9
203.00198	2.8
209.08171	1.3
211.02480	1.5
221.04518	0.7
241.59067	0.6
242.67996	0.6
245.01276	2.5
259.02817	2.4
260.03400	0.9
271.04623	2.1
275.02319	2.5
283.09811	1.1
295.10242	3.1
305.12451	1.0
314.11588	16.2
315.12131	1.5
319.85526	0.7
329.13922	28.5
330.14340	2.3
343.66815	0.8
360.15363	0.7
362.13599	5.8
377.15967	6.5
378.16211	0.7
413.14523	1.1
439.11902	1.0
457.11938	100.0
458.12192	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	2.1
59.01376	46.7
61.98801	4.6
62.16085	1.0
68.44724	1.0
69.03409	1.6
69.55164	5.3
69.55583	1.9
71.01007	1.5
71.01379	27.2
72.99296	2.5
73.02938	2.5
79.95728	10.7
82.79968	1.2
83.01347	1.5
85.02940	5.1
87.00838	2.1
89.02441	34.6
93.03411	2.8
95.01344	3.0
96.95465	1.1
96.96012	16.2
98.95584	10.5
98.96263	1.6
99.00816	1.2
101.02439	15.3
107.04945	1.5
109.02902	3.8
111.00816	2.3
113.02459	12.5
119.03513	12.6
119.04991	8.8
120.99612	1.3
121.02897	3.2
121.31739	1.1
122.03660	1.6
123.00837	3.9
123.04488	2.6
124.01567	1.1
125.02439	5.2
131.03453	1.4
131.04944	1.6
132.02124	2.3
133.02942	14.6
133.06558	1.8
134.03656	3.1
135.04517	40.8
136.04770	1.2
137.02376	4.8
137.06012	3.0
139.00293	1.3
139.03957	1.3
140.01115	1.3
141.01840	1.5
143.03419	2.4
143.07050	1.7
145.02950	5.2
146.03682	1.1
147.04436	4.6
148.05272	1.7
149.02441	13.4
149.04437	2.0
149.06087	8.4
150.03116	4.8
151.00294	3.4
151.03955	1.6
153.01813	3.7
159.04395	1.5
161.02438	40.5
161.04491	2.9
161.05975	6.5
163.04027	5.9
164.04698	2.7
165.05534	7.8
166.15694	1.1
169.01324	4.9
173.05988	2.7
175.03979	5.8
177.05574	17.5
179.03499	38.2
179.05429	3.5
180.03813	3.1
181.04893	2.3
185.09601	1.3
189.05357	1.2
191.07004	1.2
192.14433	1.2
203.03406	2.1
203.07068	2.2
203.10649	4.6
205.04921	4.2
211.02321	4.1
215.06927	4.2
217.04927	4.2
221.02696	1.5
221.04530	18.0
233.08075	2.2
235.06035	1.8
247.06157	6.4
251.05611	7.5
265.06934	2.0
270.56390	1.1
271.04529	2.6
277.07153	21.8
278.07382	2.1
281.06619	14.0
295.10318	58.3
296.10519	2.8
305.12192	1.9
311.09668	4.0
314.11566	5.3
329.13974	6.9
341.08514	4.7
362.13721	2.9
377.15692	2.1
455.75009	1.2
457.12741	100.0
458.12897	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19547	2.7
55.01881	6.0
55.50939	2.5
57.03431	6.0
58.00581	3.7
59.01373	31.2
61.98827	7.4
69.03452	3.6
69.77608	7.4
69.78018	4.9
71.01379	57.8
71.41662	2.3
72.99295	3.6
73.02939	18.9
83.01370	17.9
83.05022	24.9
85.02940	21.6
88.35847	2.0
89.02433	20.7
93.03453	65.0
95.01370	7.4
96.96007	49.0
97.02929	5.2
99.00877	7.1
101.02428	26.4
101.05197	2.5
104.48087	1.9
109.02942	22.0
111.00871	19.1
111.04514	100.0
113.02444	26.8
117.03470	5.4
119.05009	37.5
121.02921	6.6
123.00882	76.2
124.01659	57.8
125.02444	7.9
130.04230	3.2
131.04968	3.0
133.02950	5.6
133.06584	75.6
137.02435	68.7
138.03223	51.8
139.00375	2.7
139.04004	49.5
143.03426	5.3
143.05029	11.2
145.02927	9.6
145.06606	23.0
147.04512	5.9
149.02420	3.1
149.06097	4.0
151.04034	3.2
155.03496	45.2
158.03769	2.5
159.02971	4.0
159.04468	9.3
161.04538	40.8
161.06052	30.6
163.03967	5.9
163.07660	24.0
166.02708	4.0
169.01355	3.0
171.04401	4.0
172.05254	2.7
173.04501	14.9
173.06041	21.7
175.04068	4.7
179.03479	3.3
179.05562	6.9
181.05025	9.5
187.03960	2.7
189.09190	9.2
191.07133	93.9
192.07463	4.4
205.05042	89.1
206.05440	4.8
215.07161	6.6
217.05045	6.8
233.08191	36.6
234.08632	3.6
235.06146	27.0
265.12817	9.0
277.07190	4.1
281.06747	3.9
299.07596	13.3
301.09265	41.5
302.09500	3.1
397.17154	8.2
419.11691	6.2
421.11374	10.4
439.12570	5.3
457.12595	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66136	1.8
50.69617	1.8
51.78801	1.9
55.01863	6.4
57.03439	5.4
57.53999	1.7
59.01373	22.2
59.75727	1.7
61.98820	6.5
64.25097	2.0
69.03453	5.4
71.01376	56.3
71.57774	2.6
72.99307	4.1
73.02943	22.1
74.13257	1.6
75.00893	2.5
77.72142	1.9
81.03453	7.2
82.65377	2.9
83.01383	23.2
83.05014	35.2
84.85119	2.0
85.02953	23.9
87.00878	2.2
89.02458	13.3
93.03456	61.1
95.01390	8.0
96.96019	27.3
96.96925	2.3
97.02943	3.5
99.00861	9.1
99.04518	3.3
101.02435	28.2
109.02962	15.7
111.00874	25.9
111.04514	100.0
112.04863	3.4
113.02441	26.2
119.03542	3.6
119.05022	19.2
121.02956	3.1
123.00879	55.4
124.01660	53.1
125.02509	3.8
127.03985	2.6
132.05800	3.8
133.02946	2.5
133.06589	46.7
134.06903	2.2
137.02429	42.5
138.03232	38.9
139.04004	44.2
143.03522	4.6
143.05005	5.1
145.02939	7.8
145.06604	14.5
147.04527	3.2
148.05310	2.2
149.02448	2.9
149.06137	2.7
151.04115	1.9
155.03488	71.5
158.03719	3.4
159.03064	4.3
159.04366	3.7
161.04544	51.5
161.06041	12.2
163.04012	4.2
163.07648	19.2
169.01575	2.2
171.04428	2.5
173.04538	35.1
173.06055	14.3
175.04028	3.4
178.02708	2.7
181.05055	6.2
189.09180	5.8
191.07132	60.8
192.07524	3.1
193.04974	3.5
205.03288	4.2
205.05020	33.5
215.07114	5.6
225.84822	2.2
233.08237	18.3
234.08603	2.3
235.06071	17.6
244.95164	2.3
265.12885	7.8
275.02136	2.2
277.07135	3.3
281.06766	2.4
288.88953	1.8
292.03925	1.8
299.07623	4.5
301.09241	38.0
302.09509	2.6
397.17038	7.6
419.11804	4.3
421.11325	3.8
439.12302	2.6
457.17419	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	457.1845
Annotation	SCHEMBL16243022
Peak:m/z	Relative Intensity
50.21761	8.1
51.02190	7.9
54.74344	11.9
59.01140	9.2
59.01379	100.0
61.92883	9.5
61.98827	62.7
71.01383	30.8
73.02927	14.4
85.02943	21.0
89.02443	22.0
96.95995	48.1
99.00867	14.9
101.02451	22.7
113.02456	19.2
117.97266	10.6
135.98357	15.3
179.10667	12.6
196.90714	9.5
207.10989	10.9
272.46188	8.6
310.71921	9.6
353.58356	10.3
358.79126	10.3
378.15329	11.8
457.18588	72.0
458.11261	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	457.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64677	0.2
70.85050	0.3
95.08973	0.2
99.92577	5.4
100.92681	0.1
100.93355	3.7
113.92599	0.2
115.92068	100.0
116.92075	3.4
116.92856	5.9
117.92694	0.2
121.71342	0.1
132.92346	0.8
136.19046	0.2
137.34132	0.2
155.95177	0.3
172.95445	5.3
173.95549	0.2
283.26419	0.6
285.37433	0.2
325.70251	0.2
383.18857	0.5
384.19400	0.2
399.18475	0.3
409.20502	0.9
410.20761	0.2
439.21533	0.3
441.33725	0.8
456.35706	0.4
457.22586	5.9
457.36685	1.8
458.22815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89320	1.3
59.01377	100.0
61.98835	3.3
71.54816	3.2
81.10741	1.6
93.28575	1.4
120.16738	1.5
134.09575	1.7
141.03679	1.3
169.68480	1.5
175.48090	1.6
180.86061	1.6
217.00247	5.0
279.23331	4.0
297.24316	33.8
339.25406	41.2
340.25732	2.5
374.99161	2.8
394.00439	2.1
395.33224	1.9
457.34018	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	457.3682
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
50.71494	0.1
52.74600	0.1
60.81997	0.1
69.36353	1.3
71.04974	0.1
235.17067	0.2
323.20047	0.2
374.28906	0.2
390.72562	0.2
395.29053	0.2
407.29572	0.6
409.31088	0.5
411.32596	3.6
412.32950	0.4
423.32687	1.6
425.30527	6.8
426.30945	0.9
427.35794	1.0
439.32016	0.7
441.33664	37.9
442.34085	4.2
442.40225	0.2
457.36801	100.0
458.37155	13.2
478.71829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3685
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
56.28009	0.4
59.01381	2.5
63.63985	0.4
63.78137	0.3
69.46037	2.0
69.46452	0.5
79.95707	0.8
120.12489	0.4
174.99194	1.1
180.88121	0.4
194.92764	1.0
217.00226	2.9
276.93076	0.7
337.16135	0.4
373.38544	0.4
374.99149	1.0
407.29190	0.6
411.32565	2.9
423.32797	1.5
425.30499	6.1
426.30954	0.6
427.35867	0.8
439.32504	0.6
441.33673	34.2
442.33960	3.5
457.36807	100.0
458.37207	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	458.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
58.00597	4.4
59.01377	100.0
60.01719	1.2
61.98831	9.2
69.03461	2.8
69.65329	2.0
69.65737	4.3
71.01379	46.8
72.99307	5.9
73.02945	46.2
75.00853	2.3
79.95721	1.9
81.03475	1.7
83.01399	4.0
85.02953	20.6
86.00101	1.4
87.00872	19.5
87.04520	8.1
88.04047	1.7
89.02439	34.4
92.05061	4.7
93.03454	2.5
95.01406	1.0
96.96004	3.9
97.02966	1.4
99.00922	1.2
99.04525	1.6
101.02443	73.7
103.04005	28.2
113.02434	7.0
115.04012	11.7
119.03501	14.5
119.04984	1.5
120.04566	11.1
120.05361	1.3
122.06112	17.7
123.04544	7.0
125.02433	5.0
127.04012	2.4
131.03499	19.6
135.04550	1.2
135.46146	1.0
143.03488	24.8
143.04610	1.9
145.03052	1.5
145.05054	10.1
150.05592	19.4
150.06792	1.3
153.05571	12.3
161.02473	2.0
161.04564	2.1
163.06117	94.6
164.06435	2.0
165.05534	1.0
179.05598	3.4
204.06781	1.1
205.07159	33.9
206.05524	1.2
206.07300	1.6
235.08211	1.7
265.09259	12.8
277.07150	1.1
278.07318	1.2
294.10007	1.4
307.10443	1.8
312.10828	5.0
315.10971	2.6
325.11377	4.1
424.19199	0.9
430.17102	2.0
458.16711	97.5
459.16858	10.7
479.41519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41691	0.2
59.01381	2.7
60.68137	0.2
60.99298	0.4
61.98825	1.8
71.01370	1.2
71.59361	0.3
72.99306	0.3
73.02934	0.4
74.99072	0.3
76.88417	0.2
81.03445	0.3
83.01385	0.3
85.02971	0.6
88.98801	1.7
89.02451	1.1
89.03968	1.9
93.03455	2.2
95.01374	0.2
95.05040	0.2
96.96007	0.7
99.04455	0.2
101.02456	0.9
104.02671	0.5
105.03463	3.3
107.01398	0.5
109.02985	0.3
112.94331	0.2
113.02449	0.6
119.04971	0.3
120.99599	0.2
121.02947	0.4
123.00885	0.3
125.02452	0.5
133.01939	0.5
133.02946	9.3
134.03241	0.3
137.02420	3.4
148.01657	3.4
149.02454	1.5
151.00346	0.7
161.04568	0.4
165.05559	0.4
169.01398	0.3
173.04619	0.3
176.01140	6.1
177.01917	100.0
178.02266	4.2
179.05640	0.2
219.03056	0.3
281.06686	0.3
314.21173	0.2
339.07135	1.8
355.49664	0.2
399.20261	0.5
459.09277	17.7
459.18503	1.6
460.09747	1.8
460.18518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
66.77353	0.4
69.45624	3.5
69.45961	0.9
71.01366	1.1
73.02942	40.2
78.61845	0.5
85.02935	0.7
85.85349	0.5
87.00880	0.6
89.02448	1.5
98.20662	0.8
99.00874	5.5
101.02431	0.5
105.01911	0.6
116.92838	1.1
117.01933	100.0
118.02295	1.1
131.15585	0.4
140.77182	0.4
149.04619	1.3
165.04053	1.8
169.01399	0.6
176.15668	0.5
179.05577	0.6
183.86577	0.5
191.05624	1.2
285.06418	0.5
323.97250	0.5
341.10837	1.4
416.91220	0.6
459.11221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98833	0.5
69.41389	2.6
71.01375	0.8
73.02944	41.8
74.03268	0.6
76.96500	0.4
89.02447	1.0
92.95980	1.3
96.96000	1.1
98.19809	0.7
99.00880	5.4
99.92601	0.3
113.02394	0.4
114.06883	0.3
116.92877	3.4
117.01938	100.0
118.02260	1.6
119.04999	0.4
135.93263	0.4
165.04057	0.4
168.91583	0.3
169.01347	0.4
176.98123	0.5
191.05592	0.7
223.50513	0.3
235.04337	0.3
237.00224	0.8
341.10965	0.5
459.11871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57402	0.7
53.47210	0.6
54.71479	0.6
58.00590	0.6
59.01375	24.8
61.98820	5.4
67.28903	0.7
71.01376	9.3
71.59506	0.6
72.99309	0.9
73.02954	1.6
75.00865	1.1
79.95752	1.0
83.01385	1.7
85.02980	2.1
88.72443	0.6
89.02437	8.8
91.01889	0.8
95.01395	1.7
96.96016	9.2
98.95625	2.7
99.08159	0.8
101.02437	5.5
108.02232	2.2
109.02946	30.2
110.36217	0.7
111.00887	3.5
113.02442	4.1
119.03511	3.0
123.00907	2.2
123.04536	3.4
124.01678	1.6
125.02461	3.2
129.47726	0.6
135.04501	1.0
139.00395	1.1
139.04118	0.6
149.02451	1.4
151.00391	1.7
151.04007	2.5
152.01144	20.7
153.01935	51.1
154.02267	1.6
161.04698	0.9
165.01920	1.4
166.06366	0.9
167.03458	4.6
169.01456	1.5
175.11255	0.7
181.05054	1.0
194.02180	0.8
195.02972	93.1
196.03259	4.0
209.04562	4.7
221.96339	0.7
225.04021	1.4
239.42311	0.7
255.05080	78.3
256.05460	3.6
323.13446	10.8
324.13898	0.7
377.59604	0.8
379.17297	1.7
388.21890	0.7
396.09506	0.9
459.14841	100.0
460.10333	0.7
460.15213	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.9
59.01376	100.0
60.01711	0.8
69.03556	0.6
71.01378	6.3
73.02958	1.9
75.00869	0.6
83.01385	0.8
85.02952	2.4
87.04510	13.8
89.02444	5.5
96.96001	1.1
99.00905	1.8
101.02457	5.6
113.02450	4.4
119.03504	1.9
123.90842	0.7
131.03540	1.1
137.02510	0.7
149.04498	1.0
161.04565	1.5
161.09695	3.2
193.12379	1.0
195.14017	1.0
205.12383	1.0
219.10251	0.9
223.13377	15.5
224.13702	0.7
237.11310	45.7
238.11742	2.5
253.09355	2.9
261.11389	0.9
279.12485	1.0
281.81348	0.6
353.89520	0.6
423.22659	2.2
459.22070	2.8
464.92569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60879	0.4
52.15348	0.4
55.01878	0.4
57.03429	0.7
59.01101	0.6
59.01375	7.9
61.98817	1.8
65.00299	0.4
65.32899	0.4
67.01865	0.9
69.38364	3.7
70.99557	0.4
71.01377	5.2
72.99306	1.3
73.02937	2.4
79.01876	1.9
79.95718	1.4
83.01382	1.7
85.02942	2.7
87.00867	0.7
89.02437	1.4
93.03454	0.5
95.01383	2.1
96.96014	2.7
97.02934	0.7
98.19923	0.8
98.95552	0.4
99.00848	0.9
101.02435	4.5
106.35487	0.3
107.01383	3.8
110.00130	0.5
111.00919	2.4
113.02437	1.9
119.05025	0.5
120.99660	1.0
122.99986	0.9
123.00879	14.1
123.04510	0.6
124.01666	1.4
125.02441	14.5
127.00303	0.8
135.04530	1.6
136.98790	1.6
137.02382	0.6
138.03218	1.3
139.00369	5.4
140.01154	4.1
141.01912	1.8
145.08633	0.9
147.15688	0.4
151.00356	12.5
153.01942	0.9
153.05565	4.6
161.02405	1.6
161.04536	1.9
163.04024	0.9
163.11288	4.3
165.05534	0.6
168.00624	3.6
169.01407	19.2
176.04800	1.2
180.04198	0.4
181.05008	0.6
183.02966	0.5
189.12805	0.5
191.07147	1.9
196.47852	0.7
207.89406	0.4
209.02740	0.6
211.02521	0.7
213.12572	0.7
219.13914	3.9
223.04222	0.5
225.05876	3.9
235.08215	2.7
243.96855	1.2
255.02774	0.5
296.73154	0.5
313.05441	0.6
328.02304	0.5
345.06467	0.4
371.11652	2.6
459.18723	100.0
460.19073	9.3
476.07465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57286	4.4
59.01379	100.0
61.53365	4.5
68.85996	4.6
71.01384	27.0
71.60175	5.0
72.27969	4.7
73.02934	9.5
83.01382	7.9
85.02946	7.5
89.02448	40.3
99.00885	7.9
101.02451	11.1
112.26778	5.4
113.02459	9.5
119.03431	5.5
131.03497	7.7
136.00229	4.7
145.03018	5.3
149.04503	15.8
161.04488	8.8
162.33075	4.7
191.14394	15.4
237.14986	86.7
285.49493	5.8
459.19916	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
59.01377	100.0
59.40399	2.9
61.98833	13.6
70.75818	5.5
71.01382	28.1
72.99294	2.9
73.02946	13.2
75.00874	2.6
79.95720	3.2
83.01363	5.0
85.02927	13.7
87.00886	3.7
88.13080	3.0
89.02432	12.6
96.96006	12.5
99.00874	4.9
101.02434	19.2
107.50433	2.9
113.02475	13.9
118.79002	2.6
119.03461	3.8
120.99614	2.7
122.03748	31.6
123.08247	2.5
123.98473	2.4
125.02384	2.9
131.88087	2.6
143.03473	3.0
145.02994	4.0
149.04652	2.9
155.10748	5.1
160.03857	2.8
161.04538	7.2
163.04057	3.3
165.05595	4.5
165.09186	13.8
170.55353	3.1
181.05048	3.9
199.09816	3.8
260.42688	3.1
283.67963	2.6
285.04034	2.9
291.18063	4.2
300.58984	2.9
399.23959	5.0
410.94858	2.8
417.25089	6.4
423.22318	40.2
428.12878	2.8
459.20001	55.7
460.20883	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	459.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
59.01377	100.0
59.40399	2.9
61.98833	13.6
70.75818	5.5
71.01382	28.1
72.99294	2.9
73.02946	13.2
75.00874	2.6
79.95720	3.2
83.01363	5.0
85.02927	13.7
87.00886	3.7
88.13080	3.0
89.02432	12.6
96.96006	12.5
99.00874	4.9
101.02434	19.2
107.50433	2.9
113.02475	13.9
118.79002	2.6
119.03461	3.8
120.99614	2.7
122.03748	31.6
123.08247	2.5
123.98473	2.4
125.02384	2.9
131.88087	2.6
143.03473	3.0
145.02994	4.0
149.04652	2.9
155.10748	5.1
160.03857	2.8
161.04538	7.2
163.04057	3.3
165.05595	4.5
165.09186	13.8
170.55353	3.1
181.05048	3.9
199.09816	3.8
260.42688	3.1
283.67963	2.6
285.04034	2.9
291.18063	4.2
300.58984	2.9
399.23959	5.0
410.94858	2.8
417.25089	6.4
423.22318	40.2
428.12878	2.8
459.20001	55.7
460.20883	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	459.3475
Annotation	Hyrtiosterol
Peak:m/z	Relative Intensity
59.01381	0.8
61.98824	0.4
70.86597	0.7
71.78333	0.2
100.36985	0.3
109.06541	0.3
121.02943	0.5
125.09733	1.1
139.11304	0.3
145.02982	0.8
153.56410	0.3
235.16995	1.5
263.16476	0.5
265.17630	0.3
289.21527	0.4
352.03860	0.3
393.31995	0.3
395.29541	1.1
397.30923	0.3
407.29486	1.9
409.27719	0.3
411.32935	0.6
413.30502	4.8
414.31134	0.8
415.32153	0.9
423.32883	1.5
425.30756	2.9
427.28046	0.4
429.33682	3.7
430.34406	0.4
439.32468	0.4
441.34177	1.9
443.31644	14.7
444.32272	1.6
459.34808	100.0
460.35129	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3475
Annotation	Topsentisterol C3
Peak:m/z	Relative Intensity
50.65025	0.4
50.79844	0.4
53.26505	0.4
54.90017	0.4
59.01382	0.9
59.91356	0.4
61.98821	0.7
64.86652	0.5
69.75074	0.4
71.60765	0.4
80.61765	0.4
84.86414	0.4
90.31147	0.5
132.99985	0.4
137.75665	0.4
204.70100	0.5
221.00319	0.5
379.26230	0.8
395.29468	1.2
413.30280	2.4
415.32144	0.7
425.30688	0.9
427.28415	5.0
428.29221	0.5
429.33710	0.8
441.30106	1.3
443.26498	0.4
443.31598	30.6
444.31894	3.2
459.34811	100.0
460.35120	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3841
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
57.03442	0.5
68.51092	0.2
69.85580	1.0
101.82564	0.2
121.02750	0.2
132.02924	0.2
196.65805	0.2
281.39230	0.2
303.28119	0.2
459.38419	100.0
460.38745	11.7
460.45432	0.4
477.39474	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.00599	0.4
59.01377	13.5
61.98819	0.8
67.01873	0.8
70.62269	1.1
71.01376	7.4
72.24931	0.4
72.99296	0.8
73.02944	2.0
76.20940	0.4
79.01891	0.5
83.01374	0.9
85.02940	2.4
87.00856	1.7
89.02435	5.8
93.03452	0.9
95.01376	1.3
96.96015	2.3
97.02918	0.8
99.00848	1.2
101.02434	4.3
107.01387	4.2
111.00872	2.3
113.02437	3.2
119.03469	2.5
123.00110	0.5
123.00893	6.1
124.01643	1.7
125.02440	27.1
126.02731	0.5
127.00334	0.7
129.01904	0.8
131.03534	0.4
134.03722	0.5
136.98772	1.3
137.02425	2.8
139.00359	2.8
139.04013	0.5
140.01126	2.5
141.01888	0.8
142.38680	0.4
151.00352	3.3
153.34821	0.4
163.03867	0.4
165.01929	0.9
167.03456	1.6
168.00624	9.0
169.01410	42.4
170.01753	1.2
179.03369	0.7
185.38876	0.4
193.04836	0.5
211.02461	38.6
212.02759	1.6
223.02339	0.6
241.03534	1.2
249.06024	1.1
253.03354	0.6
267.07404	0.5
271.04565	49.0
272.04840	2.4
282.42090	0.5
309.28961	0.4
313.05588	2.8
331.06638	3.4
373.07489	0.7
424.27457	0.5
424.84573	0.5
431.11569	0.7
443.12061	0.8
461.09180	100.0
461.19992	5.7
462.09613	7.2
462.20059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
57.03436	0.8
59.01100	0.7
59.01379	9.7
61.98821	3.8
67.01894	1.0
69.03439	1.1
71.01379	5.7
71.60388	0.6
72.99297	1.2
73.02927	1.2
75.00856	0.8
79.01894	1.6
79.95725	0.5
81.03457	0.6
83.01373	1.3
85.02950	1.9
87.00863	0.9
88.98788	2.3
89.02444	1.6
93.03430	1.4
95.01397	2.9
96.95990	1.9
97.02908	0.5
101.02438	3.2
103.46816	0.4
106.00702	0.5
107.01386	6.7
109.02911	0.5
111.00887	1.3
113.02428	3.1
115.05542	0.9
119.03481	0.9
119.05034	0.7
120.99657	2.4
123.00877	19.8
124.01640	0.9
125.02438	22.9
126.02808	0.5
130.90111	0.5
131.05008	2.0
133.06544	1.2
137.02435	2.0
139.00352	5.0
140.01131	1.2
141.01944	1.9
145.02940	1.3
145.06592	0.9
147.04509	11.9
151.00356	13.2
153.01941	3.0
161.04773	0.7
161.06065	17.1
163.06081	0.5
164.04762	1.6
165.01935	0.5
167.03487	1.4
168.00674	2.2
169.01411	35.2
169.36456	0.4
170.01741	1.1
173.02473	0.5
179.05685	0.5
179.07027	1.1
189.05598	2.2
193.01410	1.4
195.02995	0.6
203.03485	0.6
211.02449	6.2
213.05325	0.4
217.01421	0.5
219.13876	0.7
227.03506	3.8
229.01329	0.8
229.05086	0.8
230.01994	0.4
241.01418	0.6
241.05038	1.2
242.02129	0.7
243.02812	0.5
245.00977	0.5
248.03030	0.5
253.03340	0.6
255.02902	0.9
255.06726	0.7
263.12796	1.2
270.01660	0.7
271.02408	1.1
281.06732	0.6
285.03952	1.2
287.05536	2.1
297.07724	1.4
299.01694	0.6
301.03668	0.7
313.05573	4.5
325.07089	1.2
357.09753	2.6
401.08752	1.1
441.25479	0.5
461.10825	100.0
462.11209	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1296
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
50.06512	0.4
50.75437	0.3
57.03437	0.9
59.01374	9.8
60.55770	0.4
60.76496	0.4
61.98832	0.7
62.39642	0.4
65.00334	0.7
65.09894	0.4
69.51439	1.0
69.51843	2.4
71.01376	4.9
72.99306	4.9
73.02944	2.2
75.00864	2.4
81.03446	4.3
83.01379	2.3
85.02949	2.0
89.02439	4.6
93.03456	0.6
95.05016	1.0
96.96016	0.5
97.02917	0.5
99.00880	0.6
99.04555	0.5
101.02434	2.6
107.01387	0.6
107.05021	0.7
113.02454	1.6
119.03516	1.3
120.99631	1.4
121.02965	0.6
121.93005	0.4
123.00877	0.7
123.04517	32.6
124.01669	0.8
124.04887	0.8
125.02441	6.6
131.01367	0.5
139.04019	1.4
143.03505	0.5
149.02415	1.2
149.04562	0.6
151.00371	1.4
151.04050	1.0
153.09348	0.5
159.02972	0.5
161.04568	1.0
163.04065	1.0
165.05527	1.3
165.09183	1.1
166.02553	0.6
167.03481	100.0
168.03815	3.4
175.00314	1.7
179.03406	0.5
179.05574	0.7
180.04298	0.5
181.05026	1.7
191.03488	16.9
192.03812	1.1
209.04512	5.4
221.04628	0.7
221.11925	2.3
225.04135	0.8
225.07625	0.6
233.04515	1.3
247.08180	0.7
269.10184	1.0
283.08170	0.8
293.08676	1.3
381.01947	0.4
387.20309	0.8
399.07730	0.4
401.18079	1.1
415.15933	1.7
446.34042	0.4
461.12845	44.9
462.13116	3.4
464.91254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67757	0.6
55.01862	0.8
57.03440	1.2
58.00570	2.1
59.01376	50.4
61.98808	1.9
63.96243	1.2
68.02517	1.1
68.41325	0.7
69.03469	0.7
71.01376	30.9
71.30206	1.5
72.99318	4.9
73.02931	3.5
74.70609	0.6
74.99075	1.0
75.00864	2.0
83.01376	2.9
83.05003	1.1
85.02954	8.2
87.00856	2.2
89.02441	34.6
93.03426	1.6
95.01403	3.3
96.96012	5.4
97.02945	1.1
99.00852	1.3
101.02444	22.9
103.03982	0.8
107.01388	2.7
108.02146	1.0
109.02929	2.3
111.00867	0.9
111.04521	1.5
113.02448	15.8
117.97287	3.9
119.03492	14.3
121.02923	0.9
123.00853	3.9
123.04517	1.0
125.02438	13.5
129.05568	9.5
131.03490	1.6
137.02432	2.9
138.06850	1.7
139.00328	2.3
139.03992	1.1
140.01091	1.5
143.03458	2.2
145.02963	0.7
147.06589	2.1
149.04530	1.4
151.00388	4.7
151.07597	0.9
152.01071	1.3
153.01920	9.6
153.09167	5.8
161.04547	5.8
163.03999	0.9
165.01836	0.7
165.09171	2.6
166.99821	0.8
167.03366	1.5
167.07091	0.9
168.00647	4.7
169.01413	17.2
169.74809	0.6
175.02466	0.7
179.03522	1.4
179.05568	6.2
181.05051	1.2
191.10898	0.7
203.10722	2.3
206.09486	1.6
211.02472	16.6
212.02821	1.1
221.11813	5.0
225.04047	2.3
239.05569	1.8
239.12917	4.8
271.04556	17.0
272.04965	0.8
293.39758	0.7
299.07825	0.8
299.11411	1.0
309.11887	41.5
310.12173	2.8
313.05594	1.3
331.06693	1.1
401.17993	7.0
415.12302	0.9
423.09268	7.6
425.10260	1.2
461.12891	100.0
462.13214	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	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64164	0.8
54.47053	0.9
55.01852	1.1
59.01376	26.9
68.99813	1.4
69.91123	4.9
69.93518	0.9
71.01379	16.9
72.99291	2.2
73.02926	2.8
76.72584	0.9
83.01374	2.1
83.07941	0.9
85.02923	3.8
87.00832	1.4
89.02444	15.2
93.96615	0.9
95.01408	1.3
96.95993	2.0
99.00873	1.6
101.02421	11.7
103.04008	1.4
107.01366	3.6
111.00839	1.7
113.02435	5.9
119.02770	0.8
119.03503	6.0
123.00853	3.8
123.04471	1.2
124.01673	1.6
125.02452	22.2
129.05563	2.5
131.03519	0.9
137.02393	1.2
138.03258	1.8
139.00351	3.1
139.04008	1.1
140.01094	2.4
147.06569	2.5
149.04495	1.1
151.00288	2.6
153.01904	1.9
161.04514	1.8
163.06142	0.9
167.03549	4.2
167.07068	1.0
168.00636	11.8
169.01422	30.2
179.05563	2.9
179.14740	0.8
183.02831	1.2
185.55116	0.8
202.26224	0.9
211.02467	54.1
212.02715	2.2
214.84926	0.9
221.11824	1.4
249.06087	1.0
271.04565	48.0
272.04880	2.2
299.05411	0.9
309.08981	1.3
309.11890	29.5
331.06787	1.3
357.00735	1.0
373.09503	1.3
461.12845	100.0
462.13251	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	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
57.03436	1.6
59.01376	58.9
59.15152	0.9
62.59602	0.8
66.68946	0.8
69.48650	6.5
71.01377	34.4
73.02940	12.7
79.30692	0.9
83.01391	6.8
85.02947	18.5
86.03262	0.9
87.00857	2.2
88.88712	0.9
89.02443	3.7
95.01392	2.5
97.02949	1.2
99.00862	7.2
101.02432	37.4
113.02440	19.0
121.05767	0.9
125.02483	2.1
131.03496	27.6
135.09958	1.0
136.88388	0.9
137.31888	0.9
140.64488	0.9
143.03506	2.1
159.03018	3.8
161.04543	22.2
164.03241	1.0
169.63268	0.9
183.02979	1.5
197.30966	1.0
198.30055	1.0
210.01691	1.4
225.03979	3.5
269.10275	100.0
269.46259	1.0
270.10645	3.6
285.06110	2.7
322.03891	0.9
401.14474	23.3
461.13300	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	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
57.03431	2.4
59.01374	65.5
59.44353	0.6
61.43269	0.6
61.98817	1.4
65.90680	0.7
69.03439	0.7
71.01377	40.4
72.01674	0.8
72.99300	2.2
73.02939	14.0
75.00891	0.9
83.01386	6.9
85.02944	19.6
86.00143	0.7
87.00871	2.3
89.02430	8.6
89.12838	0.7
93.03461	1.2
95.01382	2.9
96.95991	2.2
97.02927	2.1
98.20639	1.8
99.00865	8.1
101.02433	37.2
111.00863	1.2
113.02441	20.4
119.03488	2.3
123.00883	1.9
125.02438	5.8
129.01909	0.8
131.03493	28.0
135.04433	0.7
135.42566	0.7
139.00398	0.7
139.03961	0.9
139.10516	0.7
143.03473	2.5
147.06622	4.3
150.03159	1.0
151.00359	1.8
153.05602	0.8
156.40056	0.6
159.02991	3.9
161.04543	23.7
165.05569	0.9
166.99834	0.8
167.07149	2.6
168.00626	1.4
169.01392	5.4
177.09164	0.7
179.05623	1.7
182.02190	1.9
183.03015	1.9
185.46555	0.7
197.04491	2.8
210.01631	1.1
211.02435	1.8
211.09697	0.7
221.08188	3.9
221.11693	0.7
225.04033	3.6
239.09221	2.8
246.44719	0.7
269.10272	100.0
270.10602	6.5
271.04538	2.7
285.06262	1.5
309.11945	1.3
313.09119	1.1
343.10181	1.9
401.14459	25.8
402.14719	1.7
461.12531	15.7
462.13467	2.0
477.75922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.00589	1.7
59.01376	100.0
60.01710	1.2
61.98834	3.8
69.61476	1.5
69.61906	1.7
71.01379	28.7
72.99308	2.1
73.02958	1.7
74.99161	0.6
75.00884	1.0
79.95728	0.6
80.89344	0.5
83.01387	1.2
85.02934	4.0
87.00889	1.8
88.98803	1.4
89.02441	40.9
90.02766	0.5
95.01407	2.0
96.96035	2.1
97.02968	0.7
98.20732	0.6
99.00871	1.4
101.02440	16.5
107.05016	0.6
113.02442	13.4
119.03499	17.0
121.02991	0.6
123.00912	1.0
125.02447	1.7
131.03471	3.3
135.03018	0.5
143.03485	4.3
149.04585	3.0
154.99652	0.4
161.02512	0.6
161.04561	5.9
163.04001	0.6
163.07634	5.2
165.05550	0.5
165.09242	1.7
167.03441	0.8
170.94911	0.5
175.02464	0.6
177.09145	0.5
179.05589	14.9
179.10738	3.5
191.05637	0.9
203.10797	2.8
221.11797	8.0
221.13710	0.6
225.11398	0.6
235.08298	0.8
239.12907	0.9
243.96886	0.7
271.57257	0.5
293.08765	1.2
299.01926	0.8
300.99557	0.6
401.18350	1.9
461.15909	1.2
461.20752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
56.92849	0.9
57.03442	2.4
58.00583	2.9
59.01377	100.0
60.01691	1.2
61.98824	5.3
67.01874	2.0
68.02531	1.8
71.01378	50.4
71.54736	1.2
71.55077	1.5
72.99316	6.1
73.02940	3.7
75.00861	3.1
80.39571	0.8
83.01377	3.6
85.02946	12.0
87.00885	4.6
89.02440	64.6
91.41932	0.9
93.03455	20.7
95.01387	6.0
96.96017	8.5
97.02923	2.0
98.95545	1.3
99.00844	1.5
101.01787	1.7
101.02440	31.1
107.01388	2.2
109.02943	1.4
111.00890	0.9
113.01709	1.8
113.02447	23.7
119.03490	24.8
119.04916	1.4
120.03839	1.0
120.99644	1.3
123.00884	8.2
123.04517	44.7
124.01648	1.4
124.04840	1.2
125.02449	14.0
131.03479	4.4
132.38834	0.9
137.02440	50.2
138.05562	1.5
139.00366	7.1
139.03998	1.3
140.01019	1.2
141.01961	1.5
143.03490	5.9
147.06642	2.1
149.02359	1.2
149.04504	2.2
151.00328	6.2
151.04015	2.5
152.01054	1.3
153.01920	2.1
153.05566	63.0
154.05862	1.9
159.03009	1.2
161.04541	10.2
164.00975	1.0
166.05042	2.2
166.99776	1.5
167.03506	7.7
167.04854	1.0
167.05429	1.2
168.00603	5.7
169.01413	22.2
179.03481	3.3
179.05600	35.3
181.01378	1.3
183.02956	5.4
191.03435	2.1
195.02948	1.2
203.10764	2.0
209.04549	3.8
210.04221	0.9
210.41774	0.9
211.02486	7.9
211.45723	0.8
215.20078	0.8
221.11818	1.7
225.03882	2.6
231.11002	1.0
235.08276	1.5
239.05588	3.1
249.06073	2.5
255.05099	1.6
271.04611	7.5
281.06580	8.7
292.58978	1.0
299.07614	3.8
299.10938	1.1
300.99829	1.2
309.11777	4.1
313.05594	2.2
340.98923	1.0
341.03101	1.0
341.08603	3.4
387.09299	1.5
401.17990	4.0
430.79599	1.0
461.12860	89.7
462.13245	7.7
469.98831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.4
58.00575	3.4
59.01376	100.0
61.98819	3.0
62.12244	1.1
69.49975	7.6
71.01378	56.7
72.99324	5.5
73.02934	6.4
75.00832	1.6
83.01379	3.5
85.02939	16.1
87.00854	4.6
89.02435	72.8
93.03436	2.4
95.01402	5.5
96.96015	9.3
97.02932	2.3
99.00877	2.0
101.02438	36.7
107.01377	2.5
108.02164	1.5
109.02944	4.1
111.00877	1.3
111.04442	1.3
113.02444	28.1
119.03495	32.8
120.99676	1.3
123.00859	4.9
123.04507	2.5
125.02441	18.8
129.05544	4.9
131.03561	2.2
137.02454	8.8
138.05573	1.7
138.06903	2.0
139.00307	2.2
139.03993	2.1
139.07664	1.1
140.01054	2.3
143.03482	6.7
147.06683	1.7
148.03889	1.0
149.04489	2.4
151.00327	3.9
151.07617	2.4
152.01147	2.3
153.01891	2.7
153.09233	9.3
161.04536	16.1
161.73581	1.1
164.03477	2.8
165.09180	5.1
167.03487	4.9
167.07117	2.6
168.00601	6.4
169.01414	27.1
175.02412	1.4
179.05615	19.6
183.02922	1.6
203.10692	5.8
206.09462	3.1
211.02473	19.6
211.05846	1.3
212.02776	1.6
221.11777	14.5
225.03981	1.8
239.09163	4.1
239.12866	8.1
249.09805	1.7
271.04541	18.3
272.04984	1.4
299.07959	1.4
299.11273	4.4
309.11859	20.5
313.05341	2.6
359.23227	1.6
394.80069	1.3
401.18130	24.2
403.11777	1.7
423.09250	20.2
424.09964	1.7
425.09952	2.4
433.23279	1.3
461.12830	76.0
462.13229	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68601	1.1
51.34270	1.1
56.91895	1.1
57.03451	1.3
59.01384	19.7
60.99308	16.0
61.98826	2.7
65.58633	1.1
69.70210	5.3
71.01382	10.5
73.02930	3.2
75.00857	2.2
83.01404	1.7
83.04991	1.1
85.02958	4.6
87.00867	3.4
88.98804	100.0
89.02445	21.5
93.03459	2.1
96.96012	3.4
97.02908	1.4
97.49811	1.1
101.02438	4.6
109.06567	4.7
113.02439	3.8
115.39633	1.2
123.04536	2.4
135.04526	7.7
137.02446	3.0
145.02950	4.3
153.05566	1.4
161.04504	1.9
161.09610	1.6
163.11278	2.0
179.03537	2.3
181.12430	1.3
183.10263	7.7
197.11826	7.3
207.10283	9.4
225.11311	11.6
253.09351	1.6
255.03004	12.0
270.98978	1.7
271.02402	1.5
281.06610	5.5
283.02377	6.8
284.02899	1.2
297.03995	1.8
298.04742	2.9
298.98282	1.5
299.01932	2.8
299.05576	1.8
299.99020	7.9
307.08167	1.5
315.01376	5.0
401.21921	1.5
446.08563	3.3
461.06412	7.1
461.12091	12.0
461.19855	26.1
462.20303	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
58.00590	2.1
59.01379	23.3
59.02624	0.6
61.98814	2.1
69.03458	4.6
71.01382	15.6
71.04991	0.9
72.99290	2.0
73.02954	4.0
73.10125	0.5
75.00858	3.0
79.95744	5.5
81.03426	0.9
81.07099	0.8
83.01374	1.7
83.05003	0.8
85.02954	3.7
86.03761	0.9
86.54385	0.5
87.00864	0.9
89.02444	4.3
93.03438	0.7
93.07097	2.9
95.01411	1.0
95.05032	1.1
96.96014	1.6
97.02956	1.9
97.06604	1.1
98.96409	0.6
99.00887	1.9
99.04536	0.7
99.08170	0.8
101.02428	4.7
105.81963	0.6
107.05039	0.8
109.02953	0.9
109.06596	8.1
111.08141	3.5
113.02428	3.9
113.06027	0.6
117.03459	0.8
119.03454	1.4
119.05021	1.0
120.99621	0.6
121.02956	1.0
123.04531	1.5
123.08138	2.7
125.02444	0.9
125.06096	1.3
127.07659	14.7
128.08005	0.6
133.02942	1.1
133.05063	0.6
135.04539	1.3
135.08194	1.1
137.02466	0.6
137.06079	12.1
139.11275	6.4
143.93123	0.6
145.02934	4.1
153.01936	0.9
155.07144	12.8
155.10838	0.7
160.01689	0.7
161.02435	6.4
161.04555	2.2
163.04010	0.8
163.11253	4.4
165.09151	3.6
175.03972	0.8
179.03552	1.8
179.05553	0.6
179.10765	0.9
181.12363	1.4
183.10263	18.9
183.11859	1.3
185.71797	0.7
189.09146	0.7
196.47855	1.8
197.11813	11.6
198.12283	0.7
203.98978	3.5
207.10236	16.9
225.11302	30.7
226.11635	1.9
241.01381	1.2
243.96790	5.7
244.47118	1.0
253.09264	2.3
255.12401	1.4
269.98630	0.7
270.01685	1.6
271.02341	1.3
285.13281	1.2
297.97626	1.4
299.01923	2.3
301.03641	0.7
312.99869	3.2
316.12543	1.0
328.02161	1.1
401.21957	1.7
461.06052	3.5
461.20258	100.0
462.20627	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	461.3633
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
57.03450	0.7
59.01395	0.4
61.98818	0.5
62.32486	0.3
71.12280	0.6
97.06567	0.9
106.82397	0.3
107.32990	0.3
143.85820	0.3
152.99577	0.4
204.47078	0.3
207.17496	0.5
209.19061	3.0
253.18092	3.6
279.23221	0.7
347.56741	0.4
399.32465	0.4
417.37473	0.6
461.36365	100.0
462.36734	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	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07181	0.3
59.01374	3.2
61.98809	0.4
63.02384	0.7
65.00316	1.2
69.84721	1.0
69.85130	0.6
71.01373	1.9
73.02941	0.4
83.01376	1.0
85.02964	0.5
89.02440	2.9
93.03445	0.4
98.20005	0.4
99.00880	0.4
99.63224	0.3
101.02430	1.1
102.44597	0.3
107.01384	3.2
108.02180	1.3
109.02928	1.4
112.94617	0.3
119.01337	0.5
119.03506	0.3
121.02927	1.8
124.01679	0.5
125.02401	0.3
125.86455	0.3
131.03403	0.3
135.00877	0.9
146.03847	0.3
148.01678	1.6
149.02388	0.5
149.04527	1.1
151.00357	10.8
152.00705	0.3
161.04591	0.4
163.00375	2.9
164.01105	0.8
165.01851	0.4
169.01425	0.7
175.04071	0.4
178.99852	5.8
179.01326	0.6
181.02901	0.3
183.04530	0.6
188.04749	0.4
190.99754	0.5
198.03174	0.4
199.04056	0.5
201.05565	0.4
203.03587	0.3
211.04010	0.9
214.02696	0.7
215.03461	0.7
216.04259	0.6
226.02679	1.8
227.03535	3.2
228.03969	0.4
229.04941	0.5
239.03429	0.5
243.02969	11.3
244.03427	0.9
245.04507	1.2
254.02223	2.7
255.02960	26.6
256.03479	1.4
271.02454	63.7
272.02924	4.5
273.03961	0.6
283.02444	0.9
287.01959	0.9
297.03815	0.3
299.01984	1.0
300.02725	100.0
301.03452	44.4
302.03864	2.2
316.02194	4.0
317.02881	1.0
331.17380	0.3
343.04666	0.5
354.09680	0.3
463.08780	81.7
464.09085	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	463.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
65.00304	1.1
70.27870	2.1
71.01370	2.1
73.63171	0.6
82.06876	0.5
83.01379	0.6
88.68633	0.5
89.02454	0.6
101.02445	1.0
101.72793	0.5
103.57993	0.6
107.01380	3.3
108.02155	1.5
109.02946	1.4
121.02927	1.7
135.00882	1.3
143.02570	0.5
144.12144	0.5
145.91338	0.5
148.01640	1.3
149.04506	0.5
151.00357	13.4
159.04440	0.6
163.00395	3.6
164.01094	1.2
178.99826	5.6
183.04514	0.8
187.03955	0.6
199.04004	0.9
201.05495	1.3
211.03931	1.8
215.03476	0.8
216.04289	1.0
222.16811	0.5
226.02672	2.3
227.03447	3.3
229.04950	0.6
243.00725	0.9
243.02979	11.7
244.03337	1.1
245.04474	1.2
254.02187	4.1
255.02968	27.6
256.03372	1.7
271.02441	66.6
272.02884	5.9
273.03909	1.1
283.02420	1.8
292.69785	0.5
299.02066	1.2
300.02722	100.0
301.03458	59.4
302.03720	3.3
327.98453	0.5
331.17761	1.2
343.04367	0.6
413.40735	0.6
463.08771	98.0
463.21835	2.5
464.09094	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	463.1091
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
55.01858	1.3
58.00592	1.6
59.01377	38.1
61.98796	1.9
63.95425	1.0
65.00317	1.3
67.01888	1.3
69.03443	4.2
70.71814	1.3
70.72148	2.4
71.01376	24.2
72.99299	2.5
73.02924	2.8
75.00858	5.0
81.03455	1.7
83.01369	3.2
85.02927	5.2
87.00883	1.8
87.62586	1.1
89.02441	34.5
95.01389	3.1
96.96006	15.7
97.02950	2.0
99.00857	3.8
101.02434	15.3
105.01947	1.6
105.06678	1.3
107.01378	2.7
109.02911	2.5
111.00861	3.7
113.02446	8.7
115.04018	1.5
116.92873	1.2
119.03478	8.4
121.02902	1.7
123.00846	4.1
123.04477	1.3
124.01642	1.7
125.02440	30.5
131.03491	2.8
135.02968	4.0
135.04475	1.1
136.98790	1.3
137.02393	4.7
139.00357	7.6
139.04019	1.4
140.01100	3.1
143.03485	1.4
149.02438	8.5
149.04517	3.6
151.00339	3.2
151.03964	1.3
153.01891	1.4
154.02733	2.7
155.03522	1.7
161.02403	7.2
161.04552	1.3
163.00314	4.1
165.01917	15.2
165.05498	1.1
167.03476	1.9
168.00633	15.8
169.00000	1.8
169.01418	34.9
169.04906	1.0
173.02271	1.3
175.02487	1.8
176.01083	3.9
177.01920	12.1
179.05528	1.5
183.02972	1.2
190.02730	1.6
190.99927	1.3
191.05556	1.7
192.18373	1.1
202.99887	1.6
203.03477	2.2
205.01366	2.4
209.08200	1.4
211.02466	52.2
212.02715	1.3
217.46434	1.0
229.01358	1.7
233.06599	4.9
271.04559	48.1
272.04895	3.0
273.04971	1.9
275.01959	2.9
293.08771	7.0
300.99991	5.9
301.03128	1.2
301.47571	1.2
311.09818	32.9
313.05618	2.3
314.42218	1.2
327.05090	13.7
331.06845	2.9
356.93210	1.7
403.19757	1.3
445.09460	5.5
459.99054	1.3
463.10730	100.0
464.11011	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	463.111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56326	0.7
59.01369	3.3
61.98839	1.6
62.96418	1.3
78.47932	0.7
78.95895	6.5
105.87917	0.7
109.26944	0.7
117.76697	0.9
139.67125	0.7
142.64658	0.7
149.00087	32.3
154.23405	0.8
194.98846	100.0
195.99203	2.6
217.00233	4.0
230.32948	1.1
255.03020	1.5
271.02490	3.3
299.99335	1.4
300.02673	6.3
301.00113	0.9
301.03540	2.2
387.39365	0.8
446.09091	0.8
462.33115	1.8
463.11169	62.1
463.34393	2.9
464.11618	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	463.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.95904	0.4
57.03431	0.6
58.00582	2.0
59.01376	27.1
60.01725	0.5
61.98825	12.8
70.04241	1.9
71.00993	0.8
71.01379	12.8
72.99303	1.4
73.02934	1.8
75.00871	2.0
83.01369	1.2
85.02937	3.5
87.00868	1.6
89.02441	10.4
95.01361	0.7
96.95985	0.4
98.20625	0.5
99.00844	0.7
101.02440	7.0
109.02917	0.8
113.02453	6.6
113.84757	0.5
116.83099	0.4
118.06602	1.0
119.03508	3.3
122.06118	0.7
125.32305	0.4
130.60164	0.5
131.03481	0.7
132.04593	0.6
137.02434	0.8
137.09799	0.4
142.99841	0.5
143.03510	0.7
146.06090	1.8
148.07687	0.7
149.02330	0.5
149.04532	0.8
150.03261	0.5
153.01961	0.5
153.09219	0.6
159.02945	0.4
160.04008	3.4
161.04799	38.8
162.05600	6.0
164.03526	2.9
165.04343	0.5
165.05626	0.7
174.05652	0.6
175.02794	2.2
176.03445	0.9
179.05592	3.1
188.21870	0.4
192.03014	4.1
193.03784	17.7
194.04341	0.9
204.06631	1.6
204.79245	0.4
205.12370	0.6
205.21864	0.4
209.11714	0.7
210.05461	0.6
211.13400	1.0
237.06252	0.7
240.10330	0.7
241.07492	0.4
241.14439	1.1
249.06009	0.5
249.09811	1.0
253.06142	0.8
260.08459	0.4
268.08478	0.5
271.14432	1.9
283.10855	100.0
284.11182	6.2
299.13770	0.7
299.99112	7.7
300.02557	0.9
300.99881	4.2
321.89960	0.5
329.14999	3.2
343.13043	1.3
373.09216	0.6
373.14011	12.2
373.17831	0.4
374.14282	0.8
382.80975	0.4
385.13977	0.8
400.13354	1.0
403.15186	1.3
403.19672	16.2
404.20038	1.2
427.15140	0.6
445.16290	0.4
457.47403	0.4
463.05014	5.5
463.17218	13.4
464.17224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00840	0.3
54.35892	0.3
55.01885	0.5
56.48891	0.3
57.03445	0.7
59.01377	9.7
61.98832	2.5
65.62705	0.3
69.66357	1.4
71.01380	7.6
72.99306	0.5
73.02940	2.7
74.99116	0.9
75.00865	2.3
79.95748	1.4
80.02692	0.9
81.03468	0.9
82.59328	0.3
83.01385	1.6
83.05023	4.7
84.02198	1.5
85.02951	2.4
87.00882	0.9
89.02440	4.2
90.98600	1.2
93.03444	0.4
95.01380	0.4
95.05040	0.9
96.96014	1.3
97.02971	0.4
98.19874	0.4
99.00893	1.1
101.02437	6.2
102.54433	0.3
107.01390	0.8
108.02180	0.7
109.02939	0.7
113.02435	3.8
114.02723	0.3
119.03474	1.0
121.02914	0.6
124.01712	0.7
125.02423	0.7
125.06111	0.4
133.02969	0.6
135.04536	0.4
135.08141	1.0
136.99165	0.5
137.02419	0.7
143.03497	0.6
148.01637	0.7
149.02429	0.3
149.04518	0.4
151.00349	4.6
161.02466	2.9
161.04550	3.2
163.00377	0.9
163.11282	3.4
165.12825	2.1
169.01421	0.4
178.99858	1.7
179.05594	0.5
179.10831	0.5
181.12434	0.5
191.10760	0.7
196.47754	0.9
199.03976	0.6
203.98886	0.6
204.49290	0.3
209.11809	100.0
210.12137	4.4
211.04004	0.5
216.04378	0.4
226.02696	0.9
227.03552	1.1
227.12857	16.6
228.13365	0.6
235.08356	0.4
243.02983	3.9
243.96736	0.9
244.03433	0.3
244.46785	0.3
244.96767	0.6
245.04829	0.5
245.47174	0.4
253.06615	0.7
253.09276	13.1
254.02179	0.7
254.09523	0.4
255.02980	9.1
256.03424	0.5
263.12897	0.5
265.14288	0.4
271.02451	21.7
272.02856	1.6
273.03845	0.5
300.02716	34.6
301.00140	0.6
301.03452	17.2
302.03830	0.9
316.02032	0.3
329.15018	1.2
331.17615	3.1
403.19571	0.6
450.97272	0.3
463.08670	25.9
463.21918	8.5
464.09024	2.4
464.21948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
57.03434	1.1
59.01373	12.5
61.98797	1.3
68.27305	0.4
69.03427	0.7
69.58315	2.5
71.01376	18.2
72.99299	0.7
73.02940	6.3
75.00842	1.0
78.04980	0.3
80.02664	1.1
81.03442	1.1
83.01366	2.4
83.05022	4.2
84.02146	1.4
85.02448	0.5
85.02943	6.8
87.00854	1.2
88.98768	0.5
89.02432	7.4
90.98573	0.8
93.03450	0.5
95.01366	1.2
95.04993	0.7
96.96014	0.5
97.02921	0.9
99.00868	2.6
101.02430	12.5
107.01401	0.5
108.02211	0.4
109.02942	0.7
113.02444	7.7
115.04028	0.5
119.03464	1.0
121.02962	0.4
125.02414	1.4
125.06046	0.7
129.01929	0.5
131.03485	1.7
131.16701	0.4
135.08154	0.4
137.02458	0.4
143.03473	1.0
149.04556	1.7
151.00345	1.5
153.01991	0.4
155.10770	0.4
159.02950	1.2
161.04549	8.2
163.11269	2.9
165.12856	2.1
178.99750	1.0
179.05598	0.7
181.12312	0.7
191.05618	0.5
191.10745	1.1
209.11803	100.0
210.12149	4.9
217.14340	0.6
227.03424	0.6
227.12872	16.0
228.13155	0.8
233.06686	0.5
243.02931	2.2
253.09253	13.2
254.09506	0.4
255.02985	4.0
271.02451	9.6
272.02847	0.9
300.02704	15.5
301.00076	0.4
301.03448	7.2
301.06921	0.7
331.17578	9.1
332.17810	0.7
463.08844	12.7
463.21869	21.3
464.09286	1.0
464.22339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57988	1.1
52.58243	0.8
57.03451	1.4
58.00572	1.6
59.01379	100.0
60.01702	0.9
61.98833	17.8
70.71672	2.7
71.01382	35.0
72.39996	1.0
72.99296	3.8
73.02940	3.6
75.00872	6.6
83.01356	1.2
85.02963	6.2
87.00879	2.4
89.02444	47.4
91.54617	0.9
93.03416	1.7
95.01387	3.5
95.75795	1.0
96.96011	5.1
99.00841	1.3
101.02438	18.3
113.02448	16.6
119.03502	19.2
119.05015	1.3
121.06607	1.6
124.76477	1.0
125.02413	1.2
131.03493	3.5
135.04475	1.2
137.02441	2.7
137.09715	7.2
139.04015	1.3
143.03479	4.6
145.02951	1.4
149.04539	2.7
151.00394	1.8
151.04095	1.1
161.04553	10.0
169.01511	1.2
179.05605	45.9
179.07207	2.3
187.11188	1.2
209.11865	2.1
213.18864	0.9
237.69249	1.0
255.03096	1.7
271.02435	1.7
283.10828	4.2
300.02551	5.3
301.00165	1.9
301.03452	10.2
331.17514	2.7
385.18634	1.3
391.13965	1.0
403.19669	8.1
463.07959	6.2
463.17700	3.5
464.11673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.2
58.00592	1.4
59.01380	80.7
61.98830	30.5
66.73393	1.2
69.03442	1.6
70.71898	2.2
71.01379	40.2
72.38101	1.3
72.99310	2.2
73.02946	7.3
83.01392	1.7
85.02940	11.7
87.00877	3.8
87.04504	4.8
88.98811	2.7
89.02443	33.3
95.01375	2.2
96.96002	5.8
97.02890	1.6
99.00897	2.1
101.02443	27.1
105.53307	1.2
108.19867	1.1
113.02450	16.0
114.05601	1.2
119.03502	12.3
125.02439	3.4
131.03485	2.1
137.09781	1.5
142.99863	1.6
143.03494	4.8
150.68402	1.1
153.09169	6.3
159.03004	1.3
159.06601	1.3
161.04704	29.5
162.05502	3.8
167.10776	1.7
169.01389	1.5
175.02701	1.5
179.05605	15.9
182.03961	1.7
192.02979	1.9
193.03732	6.2
199.04393	1.4
200.01088	1.5
205.12257	2.4
212.05162	1.6
216.00554	1.6
227.03818	1.5
235.08247	1.8
241.14427	11.0
244.00070	1.8
247.79688	1.4
249.09897	7.4
283.10876	50.5
284.11133	4.1
299.99088	49.0
300.02585	2.8
300.99854	41.4
301.03308	2.5
302.00275	1.5
360.08835	1.6
373.10706	1.6
375.11115	3.2
385.18555	1.6
403.19690	100.0
404.20096	8.7
463.05118	45.5
463.17487	5.6
464.05341	4.1
464.11838	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66002	0.7
53.06102	0.7
55.01855	2.2
57.03445	1.4
58.00587	2.5
59.01377	100.0
60.01698	0.8
61.98832	4.1
62.06944	0.7
71.01378	56.1
72.01705	0.8
72.99290	3.2
73.02949	8.7
74.19625	0.7
74.99094	0.8
75.00873	1.3
82.80415	0.7
83.01365	4.3
85.02947	11.4
87.00870	3.1
89.02441	73.3
93.03455	1.3
95.01387	3.6
96.96002	3.4
97.02912	1.1
99.00892	6.1
101.02435	29.9
113.02446	22.2
113.06073	1.1
119.03500	25.8
120.21187	0.8
125.02417	2.1
131.03500	7.0
137.02419	1.5
143.03484	5.8
146.98053	0.8
149.04553	9.2
151.00438	1.2
159.02972	1.2
161.04544	12.7
163.03902	1.2
178.99812	0.9
179.04099	1.4
179.05605	20.8
179.07176	1.2
181.05043	0.9
191.05577	4.0
205.12347	5.8
223.13353	2.0
243.02837	0.9
255.02911	2.0
271.02414	5.0
291.14240	1.3
299.99045	8.1
300.02682	7.3
300.99844	9.4
301.03433	4.8
301.06689	1.0
331.17569	7.5
385.18399	3.2
403.19659	35.1
404.19983	2.9
414.96124	0.9
427.01559	1.3
463.04984	5.4
463.09628	1.4
463.21921	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53988	1.2
56.51871	1.2
57.03436	2.2
58.00589	2.8
59.01378	77.9
60.01708	1.3
61.98829	12.8
71.01002	2.7
71.01379	42.8
71.59245	1.3
72.99293	1.7
73.02939	8.9
75.00862	8.0
83.01405	3.0
85.02940	12.8
87.00867	4.5
87.04512	4.4
89.02446	27.8
95.01398	3.0
96.96040	2.1
97.81988	1.4
99.00883	2.8
101.02438	26.4
111.16676	1.2
113.02448	16.4
119.03500	11.7
125.02451	2.0
131.03477	1.2
143.03548	3.1
145.02975	2.0
149.04553	1.4
153.09172	5.9
158.05818	1.3
159.02945	1.5
159.06615	1.8
160.04091	2.1
161.04718	39.8
162.05496	4.9
164.03543	1.5
179.05608	7.9
191.05730	1.4
192.02972	1.6
193.03806	12.8
209.11758	1.3
211.13367	3.9
223.13373	2.3
231.98723	1.2
241.07288	5.1
241.14403	4.0
246.61342	1.2
249.09746	6.2
283.10852	73.3
284.11176	2.7
299.98999	4.8
300.02216	1.3
300.99771	3.7
301.13034	1.4
368.50317	1.3
373.14084	9.8
400.13043	1.8
403.19595	100.0
404.19910	8.6
419.15775	10.5
420.15939	1.6
463.05121	3.7
463.17340	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
58.00566	0.7
59.01378	15.9
59.95407	0.5
61.98831	8.6
67.01891	0.8
68.99810	0.8
69.03447	0.8
70.88704	1.2
71.01380	13.1
72.99303	3.4
73.02943	1.4
75.00874	13.5
80.46836	0.6
81.03457	0.5
83.01385	1.4
83.04973	0.7
85.02950	17.0
87.00862	5.5
89.02444	3.4
93.03442	1.2
94.10106	0.6
95.01390	3.9
96.96019	3.7
99.00883	8.0
101.02427	1.9
103.00365	1.7
109.02921	0.5
111.00843	0.9
111.04510	0.6
113.02442	18.8
115.00348	1.6
117.01919	1.7
118.02399	0.5
120.99641	0.9
121.02917	0.8
123.04475	0.7
125.02453	1.5
129.01894	1.4
131.03517	0.8
137.02419	1.1
145.02977	0.6
151.00339	1.5
157.67479	0.5
160.17523	0.5
165.01897	1.5
175.02489	2.7
182.67314	0.5
183.13882	20.5
184.14151	1.2
195.13879	11.8
199.97023	0.6
205.07150	0.5
213.14943	57.3
214.15245	3.2
231.05078	1.6
237.89073	0.5
243.03079	0.7
249.06133	13.6
255.02946	1.3
267.07224	2.3
271.02466	3.3
287.05600	0.8
299.99271	1.2
300.02716	7.0
301.03485	3.7
343.08319	1.4
385.12848	0.7
403.19644	0.8
445.20572	2.0
463.07675	4.8
463.21796	100.0
464.22226	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12224	0.6
53.51707	0.6
57.03440	1.0
57.36788	0.6
57.43174	0.6
59.01379	53.0
61.98822	4.8
66.28851	0.6
69.46651	5.2
71.01381	22.0
71.05032	0.7
72.99312	0.9
73.02943	4.8
76.19751	0.7
83.01392	1.8
85.02945	8.2
86.00056	0.7
87.00869	2.8
87.04513	7.1
89.02440	13.5
95.01378	2.1
97.02914	1.2
99.00877	2.0
101.02433	14.8
113.02442	9.4
119.03507	4.8
125.02435	1.0
126.64663	0.7
136.05354	0.9
138.06841	2.5
143.03456	1.4
149.04703	0.7
151.07637	1.1
152.08440	1.5
153.09212	10.4
159.03003	1.7
159.06609	2.1
161.04556	10.3
167.10739	2.2
169.08711	0.8
179.05603	2.7
241.14438	7.2
249.09746	7.0
301.03406	0.6
329.94885	1.0
374.25235	0.7
403.19681	100.0
404.19968	6.5
427.40143	0.7
429.60941	0.8
463.21954	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01376	8.0
60.01711	0.3
61.98827	100.0
64.88781	0.3
65.50204	0.3
71.01373	2.8
71.61838	0.5
73.02958	0.7
73.53104	0.3
74.54593	0.3
75.00866	0.6
76.19495	0.3
85.02970	1.2
89.02446	3.7
90.02803	0.4
96.96006	1.4
99.00921	0.6
101.02444	2.0
102.02805	0.5
113.02444	1.0
119.03488	0.8
120.99676	0.4
123.00894	0.4
124.01620	0.4
125.02452	2.5
125.15878	0.3
130.06490	0.3
135.04524	0.4
137.02473	0.4
145.05357	0.4
149.04570	1.1
151.00365	0.3
152.01164	0.3
153.05728	0.4
155.10800	0.8
161.04568	0.9
169.01465	0.4
179.05695	0.4
217.10762	0.4
253.70000	0.3
258.06451	0.4
271.02478	0.4
272.02783	0.4
285.04269	0.4
299.99200	0.4
300.99612	0.8
301.03052	0.6
302.00281	0.6
302.03799	0.4
303.04993	0.4
329.14960	0.5
332.17990	0.4
354.17709	0.3
361.15118	0.4
404.19974	0.7
405.21201	1.9
464.04794	0.4
464.22183	1.2
465.10107	1.9
465.20316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03448	0.4
57.46233	0.2
59.01377	7.5
60.01706	0.2
61.06223	0.2
61.98828	100.0
65.77852	0.2
69.31961	1.6
70.85457	0.2
71.01380	6.3
72.01736	0.2
72.99303	0.2
73.02939	1.8
75.00867	0.6
75.56791	0.2
79.95735	0.2
83.01402	0.9
85.02950	2.7
87.00883	0.6
89.02443	3.0
93.03466	0.4
95.01399	0.7
96.96006	3.8
97.02923	0.3
99.00902	0.6
101.02436	4.3
102.98633	0.4
109.02963	0.5
111.76641	0.2
113.00653	0.2
113.02451	3.1
113.49913	0.2
119.03468	0.9
119.04991	0.3
121.02950	0.3
123.00909	0.2
125.02424	1.5
128.03552	0.3
131.03496	0.4
137.02426	0.5
139.04005	1.4
139.40286	0.2
143.03545	0.4
143.04593	0.3
149.02449	0.3
149.04573	0.2
150.05656	0.3
151.00383	0.3
151.04027	0.7
152.01111	0.3
153.01978	0.4
155.10791	0.2
155.80272	0.2
159.03029	0.4
161.04552	3.8
167.03522	0.2
169.01445	0.7
179.05586	0.8
217.10776	0.3
239.05753	0.3
259.11877	0.5
272.09024	0.3
275.91708	0.2
281.06708	0.4
297.06320	0.3
301.03146	0.2
303.05301	0.2
303.08743	0.2
313.05710	0.2
332.18253	0.2
333.19138	7.0
377.18622	0.2
404.20056	0.8
405.21536	0.3
410.79691	0.2
464.12427	0.7
465.10138	0.8
465.14243	0.6
465.23856	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.3
59.01377	6.7
60.01710	0.3
61.98829	100.0
70.96070	0.6
71.01384	4.4
72.99331	0.3
73.02949	0.9
75.00877	1.0
79.95725	0.3
83.01398	0.4
85.02953	1.6
87.00896	0.5
89.02439	2.9
90.02761	0.3
93.03468	0.5
95.01366	0.4
96.96007	2.9
99.00916	0.5
101.02425	2.4
102.02714	0.3
102.98622	0.6
108.04597	0.3
109.02936	0.4
113.02445	2.0
119.03547	0.7
119.05065	0.3
120.05350	0.3
125.02451	1.1
137.02444	0.4
139.04028	0.6
149.04524	0.3
150.03204	0.3
151.00392	0.7
151.03975	1.3
153.01941	0.4
155.10834	0.4
159.02968	0.3
161.04515	1.6
162.04942	0.3
169.01433	0.4
179.05608	1.4
180.05994	0.4
249.06248	0.3
294.17554	0.3
294.82657	0.3
297.06174	0.7
303.08655	0.3
313.05826	0.4
329.13831	0.3
333.19189	2.9
372.87827	0.2
404.10416	0.3
404.20056	0.9
405.21600	0.5
429.79053	0.3
441.48431	0.3
464.12582	1.0
465.10052	0.7
465.19839	1.3
465.24448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03440	7.0
59.01375	28.9
59.36860	0.5
61.98827	21.9
63.02401	1.1
65.00322	2.7
67.01879	0.9
68.99812	0.9
69.03452	0.7
69.57082	3.3
71.01379	9.3
71.89826	0.6
72.99320	1.5
73.02947	4.8
75.00896	1.7
79.95715	0.7
81.03474	1.0
83.01379	6.1
85.02950	4.3
87.00876	1.5
88.54951	0.5
89.02438	8.7
93.03429	1.5
95.01385	2.2
96.96006	10.8
97.02933	1.9
97.06587	2.3
98.20602	1.2
99.00859	1.3
101.02428	6.6
102.98573	0.6
107.01389	6.1
109.02942	5.7
111.00872	1.2
113.02425	5.8
119.03524	3.5
120.99633	1.0
121.02975	2.7
122.11161	0.6
123.00885	3.7
123.04535	4.7
124.01649	1.8
125.02438	100.0
126.02775	2.2
131.01370	1.1
131.03487	0.6
133.02922	0.6
136.03973	0.6
137.02428	6.1
139.00348	1.5
139.04016	2.0
140.01115	0.7
141.01938	1.0
143.03479	1.4
147.04532	1.0
149.02431	12.7
149.04422	0.8
149.09703	1.3
150.03181	1.8
151.00354	31.2
151.03938	3.5
152.01193	3.2
153.01921	23.5
154.02322	0.8
159.03139	0.6
161.02449	1.9
161.04491	3.1
161.05785	0.7
163.00362	0.9
163.03972	1.1
165.01933	2.2
166.02644	0.8
167.03548	2.7
167.10776	2.3
168.00601	1.2
169.01414	6.7
171.04506	0.7
173.06018	0.8
174.03197	1.3
175.00383	4.8
175.03970	10.0
177.01920	16.1
177.03467	0.8
178.99849	18.1
179.03366	1.4
179.05637	2.9
180.99942	0.5
181.01418	13.0
183.01160	1.5
188.04767	1.4
189.01903	0.6
189.05606	4.2
191.03464	2.2
193.01434	1.0
195.02945	3.0
199.04083	4.1
201.01897	1.7
205.01369	1.1
213.05536	1.2
216.04115	1.2
217.05032	5.5
219.02937	1.0
223.02335	1.0
225.14925	0.7
231.06799	0.7
240.04173	0.5
241.05145	4.1
241.07289	0.9
243.02922	1.0
243.15996	2.5
249.06107	1.2
257.04376	0.9
259.06073	3.4
271.04572	0.7
275.05594	20.4
276.05756	0.9
284.03195	1.7
285.04019	46.0
285.12469	2.5
286.04291	2.9
299.05478	6.2
303.05069	82.8
304.05444	5.6
309.04077	0.8
313.05649	2.4
315.07123	0.8
317.06689	0.7
321.04413	4.5
322.04895	0.8
327.05115	1.6
341.05084	8.7
343.06696	5.9
403.12393	33.5
405.21323	13.7
406.21454	0.7
414.18082	0.6
421.03867	0.7
421.11621	0.6
429.10443	2.3
437.10684	2.4
447.09097	2.9
465.10135	3.7
465.15805	10.3
466.10431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88649	0.5
59.01378	8.0
61.98824	0.9
62.82138	0.4
67.01881	0.7
69.03441	0.7
69.75263	3.2
70.49914	0.5
71.01378	5.6
72.99312	0.5
73.02934	0.9
79.01880	1.2
85.02940	2.2
87.00853	1.5
88.98790	1.9
89.02436	6.4
95.01384	1.4
96.96011	4.9
97.02931	0.7
99.00842	0.9
101.02419	4.0
107.01382	3.9
111.00883	0.7
113.02444	1.4
115.01891	1.4
117.03472	0.6
119.03481	2.3
123.00874	10.9
125.02444	21.2
126.02780	0.7
135.04512	0.5
136.98853	1.5
137.02451	0.5
139.00363	3.7
139.03984	0.6
140.01094	1.8
141.01898	1.6
145.02950	0.7
147.04427	0.6
151.00363	6.9
151.06177	1.2
153.01851	0.9
161.02428	1.0
161.04533	0.8
164.01082	0.6
165.01869	2.2
167.03479	0.7
168.00623	3.1
169.01413	31.1
170.01717	1.2
171.00891	1.1
175.00352	1.0
177.01863	1.8
179.03484	4.8
179.05034	0.5
179.05672	0.5
180.04262	4.0
187.00371	1.0
189.01883	0.6
191.03497	0.6
194.05841	2.3
195.02832	0.7
195.06609	10.0
196.06923	1.0
202.99921	1.0
211.02463	10.0
214.99889	1.5
225.07635	2.3
230.99371	2.4
232.04111	0.5
255.09314	0.5
258.98877	1.9
271.01773	1.1
271.04568	17.6
272.04916	0.9
275.02090	1.0
285.04071	1.2
300.99820	1.7
303.05130	1.0
313.05530	2.6
331.06622	1.1
357.12030	3.3
421.04135	4.4
433.94095	0.6
465.12439	100.0
466.03244	0.9
466.05814	0.6
466.12698	8.9
481.37976	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	465.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01698	4.1
61.98821	34.6
69.57281	15.1
71.01379	46.4
72.99301	4.9
73.02932	8.0
75.00851	8.2
79.95740	4.3
83.01373	7.3
85.02958	12.5
87.00863	6.2
89.02442	43.6
93.03444	4.3
95.01369	5.0
95.05029	2.9
95.95226	3.3
96.95999	21.5
99.00850	5.3
101.02444	25.7
108.02157	6.9
109.02954	11.0
113.02428	18.4
115.00385	3.8
119.03463	14.0
120.99622	2.6
123.00834	6.7
123.04600	2.4
124.01608	3.2
125.02419	7.5
131.03502	20.4
135.04504	20.1
136.99078	3.1
137.02397	7.6
138.05595	5.9
143.03474	4.4
149.04532	18.4
151.03940	3.5
152.01117	8.7
153.01888	7.0
155.10739	4.5
161.04532	8.2
164.03542	3.9
166.99860	5.5
167.03416	4.3
169.01427	3.7
175.02452	6.1
177.01888	4.9
179.05591	8.6
191.05580	11.3
229.14288	4.2
267.07169	6.7
273.03116	4.1
273.13354	3.9
285.12091	3.1
293.08682	4.1
301.32144	2.4
303.09824	4.6
318.02817	5.7
323.49704	2.2
333.18790	3.8
345.22702	3.9
359.00879	2.7
387.20319	3.3
405.21387	13.5
465.08838	28.8
465.15964	20.4
465.22302	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	465.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03446	3.2
59.01377	64.0
60.01716	0.9
61.01774	0.7
61.98824	14.0
68.99827	1.3
70.91730	1.3
70.92109	1.6
71.01378	18.4
72.99309	3.1
73.02944	31.0
75.00865	7.8
79.95742	2.1
81.03484	0.9
83.01407	1.3
85.02953	11.6
87.00864	3.4
89.02442	14.3
89.02998	0.9
93.03452	1.8
95.01387	3.2
95.04988	1.1
96.96003	12.7
97.02978	0.9
97.06589	20.6
98.06929	0.8
99.00888	5.4
101.02433	5.9
103.00404	0.9
109.02962	1.5
111.00889	1.3
113.02454	14.8
115.00383	1.1
119.03517	5.4
121.02987	1.5
123.00880	1.5
123.04507	4.3
125.02436	6.7
129.01913	1.1
129.19263	0.7
131.03459	1.2
136.01611	0.8
137.02431	4.5
139.00349	1.0
141.05577	11.4
143.03474	2.4
149.02403	1.0
149.09720	5.2
151.00415	1.7
153.01901	1.7
153.09210	6.3
155.10847	1.0
161.02313	0.7
161.04573	5.8
167.10800	9.6
169.01434	2.9
171.10318	0.9
175.02463	1.4
179.03503	1.8
179.05620	4.0
209.04570	0.9
209.11700	0.9
215.09245	1.6
225.15034	2.2
239.05666	1.4
243.15933	2.3
249.06148	13.6
249.08501	1.2
267.07242	2.8
285.04053	2.7
287.06042	1.1
289.12921	4.1
303.05197	2.7
313.05875	1.1
391.12433	8.9
403.11911	6.9
403.16431	2.3
405.21259	17.8
406.21707	1.7
429.10110	6.2
447.15024	1.2
465.16028	100.0
466.16364	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40719	0.4
57.03447	0.4
59.01378	100.0
60.01720	0.5
61.98827	8.3
71.01382	8.2
71.35690	0.8
72.99305	0.6
73.02945	0.7
83.01402	0.5
85.02969	2.2
87.00892	0.5
89.02442	9.4
95.01369	0.8
96.96022	0.8
97.02901	0.5
99.00883	0.4
101.02432	5.1
113.02459	3.2
114.19607	0.4
115.13551	0.4
119.03501	5.4
125.02425	2.3
131.03545	0.6
143.03525	0.4
145.05089	0.5
149.04564	0.6
151.00345	0.9
153.01930	1.0
153.09229	0.9
161.04573	3.1
164.03551	0.7
169.01581	0.4
175.03870	0.4
177.02016	0.6
178.99861	0.7
179.05618	4.2
181.01375	0.6
243.16121	1.5
249.06367	0.6
275.05447	0.5
285.04126	1.1
303.02148	0.4
303.04913	2.2
387.20428	0.6
405.21265	19.9
406.21735	1.0
465.16168	1.7
465.23679	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.31952	0.5
60.01716	0.9
61.98830	6.5
62.16710	0.5
64.26211	0.6
66.46297	0.6
69.70966	3.0
71.01380	17.0
71.04057	0.4
71.05019	0.5
71.58929	0.5
72.99303	0.9
73.02936	2.7
74.99103	1.0
75.00887	0.5
76.86803	0.5
83.01385	1.5
85.02956	4.6
87.00893	1.1
89.02440	19.6
91.93650	0.5
95.01413	1.3
96.96006	6.8
97.70020	0.6
99.00893	1.1
101.02437	10.5
101.25016	0.5
107.01443	0.6
109.50422	0.5
113.02454	7.1
115.00378	0.7
119.03501	8.5
120.99720	0.7
125.02457	1.0
131.03540	0.9
143.03505	1.8
149.04504	1.2
149.56738	0.5
150.99355	0.5
151.00342	3.0
151.04021	2.0
155.10796	1.5
161.04559	9.0
169.01411	1.0
171.10315	1.5
172.90553	0.5
177.01971	0.8
179.05615	8.7
199.09822	0.9
202.54716	0.5
203.55888	0.5
211.02426	0.6
242.79158	0.5
243.15973	4.0
259.11871	1.0
271.63126	0.5
301.03320	0.7
302.03372	0.7
303.05240	0.7
402.59378	0.5
405.21268	33.6
406.21695	2.2
465.15024	3.7
465.23886	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41765	0.6
57.03450	6.4
58.00597	1.2
59.01379	100.0
60.01687	0.7
61.98835	4.2
62.54890	0.7
71.01379	22.3
71.31505	0.8
72.99302	1.3
73.02936	1.1
79.06556	0.7
85.02970	2.4
87.00890	1.6
89.02445	33.9
95.01386	0.9
96.96024	0.9
101.02451	11.0
112.05352	1.0
113.02446	10.2
113.77367	0.6
119.03501	13.6
125.02448	1.2
131.03540	2.6
134.07362	1.6
137.09782	0.7
143.03494	3.8
149.04613	1.3
149.09709	18.9
149.10855	1.2
159.90564	0.7
161.04570	5.5
167.10771	32.5
168.11206	1.5
174.15662	0.7
179.05612	17.2
225.14944	7.4
289.22888	0.6
303.02039	0.7
303.05286	1.1
316.43103	0.6
405.21265	24.8
406.22012	1.0
409.86636	0.7
465.23953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04966	0.3
53.70577	0.3
54.43866	0.3
55.54613	0.3
57.03439	1.1
59.01376	100.0
60.01716	0.6
61.98838	1.1
71.01376	7.2
71.06316	0.4
71.06640	0.5
72.99325	0.4
73.02944	1.3
75.00880	0.4
79.95744	0.4
83.01389	0.3
85.02950	1.5
87.00884	0.8
89.02441	10.7
91.09269	0.3
95.01398	0.6
96.96005	3.2
97.06611	0.5
101.02441	4.8
113.02431	3.3
119.03497	5.8
125.02489	0.9
131.03535	0.7
143.03532	1.3
149.04541	0.7
149.09668	0.4
153.01962	0.6
161.04550	2.1
167.10765	0.8
167.24036	0.3
169.01472	0.5
179.05582	5.9
192.92044	0.4
215.35344	0.3
297.48114	0.4
303.05521	0.5
303.08817	0.6
403.12988	0.4
405.21219	4.6
429.10355	0.6
465.15604	3.4
465.23492	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59445	0.2
59.01381	2.0
61.98827	100.0
62.11966	0.2
63.77499	0.2
63.99281	0.2
69.88995	0.9
69.89407	0.4
71.01387	1.2
75.00882	0.7
79.95729	0.3
82.29557	0.2
85.02951	0.5
89.02454	0.6
93.03474	0.3
95.01374	0.3
96.96014	1.4
98.20608	0.4
101.02441	0.8
102.02830	0.2
113.02473	0.3
119.03490	0.4
123.00853	0.3
124.01636	0.4
125.02464	0.5
125.85875	0.3
126.02657	0.3
137.02466	0.5
138.05646	0.5
149.01248	0.2
161.04613	0.3
164.03500	1.4
169.01465	0.3
174.05611	1.1
179.05608	0.4
195.12572	0.2
202.05147	0.4
261.13605	0.3
406.20938	0.3
407.19177	0.4
466.10181	1.4
467.15936	1.8
467.21088	0.2
473.15561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01378	9.3
59.01683	0.5
60.01713	0.9
61.98828	100.0
64.45780	0.3
70.07362	1.1
71.01380	3.1
72.99328	0.2
73.02956	0.7
75.00879	0.3
76.56213	0.2
79.95726	0.6
83.01389	0.4
85.02964	1.0
87.00861	0.4
89.02441	2.3
90.02773	0.4
90.11282	0.2
95.01394	0.4
96.96007	11.9
101.02444	1.6
102.98589	0.2
107.01412	1.0
108.02190	0.7
109.02946	0.5
111.00909	0.2
113.02480	1.4
114.02799	0.3
119.03529	0.9
123.00898	1.4
123.04523	4.9
123.05375	0.4
123.08195	0.2
125.02448	5.2
135.04527	0.3
136.98849	0.2
138.05630	0.6
139.00400	0.5
140.01193	0.4
141.01935	0.3
143.03517	0.3
151.00374	0.7
151.91798	0.2
152.01186	1.3
153.01938	0.5
153.05583	5.8
153.06723	0.4
157.46657	0.2
160.04060	0.8
161.04515	0.4
164.03535	0.6
167.07117	1.2
168.00665	0.3
169.01419	7.9
169.02812	0.4
170.56068	0.2
179.05740	0.4
193.98596	0.3
211.02475	0.4
244.16493	0.3
249.06012	0.3
253.27254	0.2
287.10394	0.5
296.24939	0.3
301.00058	0.4
313.05701	3.5
313.12936	2.0
315.07285	0.4
367.12286	0.4
387.16315	0.2
391.03470	0.3
403.12531	0.5
405.21249	0.6
406.21548	4.4
423.09320	0.6
466.17203	0.3
467.11288	10.4
467.17029	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	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01378	6.2
60.01706	0.4
61.98827	100.0
67.44039	0.3
69.41754	1.3
69.42175	2.0
71.01382	4.8
72.01740	0.5
72.99300	0.6
73.02949	1.3
74.99111	0.5
75.00883	1.4
78.91891	1.7
79.95733	2.8
80.91678	2.3
83.01373	0.9
85.02946	3.4
87.00882	0.7
89.02428	2.4
91.01938	0.4
93.03502	0.6
95.01363	0.6
96.96005	25.1
97.02973	0.5
99.00896	1.2
101.02436	2.7
109.02950	3.5
111.00914	0.6
113.02432	3.5
113.06092	0.6
119.03472	0.7
120.99689	0.6
123.00919	0.7
123.04514	0.7
125.02480	2.0
129.01956	0.5
131.03474	0.5
138.05702	0.4
139.00420	1.1
139.04066	0.4
142.12352	3.1
149.04495	0.5
149.06090	0.4
151.00363	1.0
151.03886	0.4
152.01151	0.7
153.01939	6.8
154.02702	1.4
155.03470	0.4
161.02391	0.5
161.04599	1.4
162.04930	0.5
163.03964	0.5
167.03583	0.8
167.07126	3.1
169.01451	1.3
169.05115	0.4
170.11864	4.0
206.99303	0.4
216.12410	6.0
217.10841	0.4
218.69214	0.4
247.10970	0.5
249.06134	3.5
260.12305	0.6
267.07300	1.0
289.07062	0.4
297.06232	1.6
300.02841	0.5
301.00110	0.7
304.62747	0.4
305.11301	0.8
311.07748	0.5
313.12939	6.2
315.12567	0.6
333.19077	0.8
334.19464	2.2
346.38629	0.5
385.09518	2.0
385.60077	0.4
391.03217	1.3
406.21494	0.7
422.11630	0.5
437.12967	0.5
466.19354	7.5
466.25171	0.6
467.11502	5.8
467.17261	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	466.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01378	6.2
60.01706	0.4
61.98827	100.0
67.44039	0.3
69.41754	1.3
69.42175	2.0
71.01382	4.8
72.01740	0.5
72.99300	0.6
73.02949	1.3
74.99111	0.5
75.00883	1.4
78.91891	1.7
79.95733	2.8
80.91678	2.3
83.01373	0.9
85.02946	3.4
87.00882	0.7
89.02428	2.4
91.01938	0.4
93.03502	0.6
95.01363	0.6
96.96005	25.1
97.02973	0.5
99.00896	1.2
101.02436	2.7
109.02950	3.5
111.00914	0.6
113.02432	3.5
113.06092	0.6
119.03472	0.7
120.99689	0.6
123.00919	0.7
123.04514	0.7
125.02480	2.0
129.01956	0.5
131.03474	0.5
138.05702	0.4
139.00420	1.1
139.04066	0.4
142.12352	3.1
149.04495	0.5
149.06090	0.4
151.00363	1.0
151.03886	0.4
152.01151	0.7
153.01939	6.8
154.02702	1.4
155.03470	0.4
161.02391	0.5
161.04599	1.4
162.04930	0.5
163.03964	0.5
167.03583	0.8
167.07126	3.1
169.01451	1.3
169.05115	0.4
170.11864	4.0
206.99303	0.4
216.12410	6.0
217.10841	0.4
218.69214	0.4
247.10970	0.5
249.06134	3.5
260.12305	0.6
267.07300	1.0
289.07062	0.4
297.06232	1.6
300.02841	0.5
301.00110	0.7
304.62747	0.4
305.11301	0.8
311.07748	0.5
313.12939	6.2
315.12567	0.6
333.19077	0.8
334.19464	2.2
346.38629	0.5
385.09518	2.0
385.60077	0.4
391.03217	1.3
406.21494	0.7
422.11630	0.5
437.12967	0.5
466.19354	7.5
466.25171	0.6
467.11502	5.8
467.17261	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	467.1189
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
52.17365	0.6
59.01372	2.3
61.98827	7.9
67.01881	0.8
69.03429	0.7
70.17513	1.3
70.17912	1.5
71.01373	5.3
73.02927	1.5
73.12173	0.7
79.01888	1.1
79.95767	0.8
82.02978	1.1
83.01357	1.2
85.02933	2.2
87.00845	0.9
89.02417	1.5
93.03461	0.7
95.01373	2.6
95.05050	0.8
96.96005	40.9
97.02924	1.2
101.02422	2.4
107.01382	11.7
108.02178	10.6
109.02970	5.2
111.00867	2.1
113.02444	3.0
121.02980	1.1
122.03730	1.5
123.00883	14.8
123.04514	58.1
124.01678	1.6
124.04797	1.5
125.02441	55.8
126.02764	0.8
127.00334	1.1
136.98792	1.5
138.05576	3.1
139.00354	5.1
140.01114	2.6
141.01897	1.4
151.00362	10.0
151.03940	0.9
152.01152	14.7
153.01999	5.5
153.05557	66.1
154.05896	2.0
163.03937	0.8
165.01970	0.9
167.03386	1.4
168.00609	4.7
169.01410	86.0
170.01730	2.2
171.88983	0.7
193.98528	2.5
195.03008	0.7
207.03122	0.7
209.68007	0.7
211.02463	2.3
223.02350	1.0
231.28561	0.7
233.09239	1.5
241.03479	2.5
253.03516	1.9
271.04694	0.8
287.10291	2.4
305.11279	1.5
313.05624	42.3
314.05869	2.1
315.07162	6.6
315.10544	1.5
329.10934	0.7
372.60110	0.8
407.14648	1.1
423.09171	8.6
449.07028	0.7
467.12189	100.0
468.12631	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1191
Annotation	Glochidionolactone F
Peak:m/z	Relative Intensity
57.03432	2.2
58.00590	1.2
59.01377	40.9
61.98829	33.2
67.01846	1.3
69.03401	1.1
69.30545	9.4
71.01379	23.9
72.63571	0.9
72.99316	4.9
73.02957	6.1
75.00859	1.7
79.95694	2.6
82.02976	1.8
83.01359	3.2
85.02957	7.2
87.00838	3.6
88.98777	1.3
89.02442	21.9
93.03472	7.2
95.01351	3.2
96.06175	1.0
96.96011	43.0
97.02900	1.3
97.95959	1.0
98.95553	19.9
98.96394	4.6
99.00839	1.5
99.04506	1.5
101.02444	16.0
107.01347	4.1
108.02107	1.7
109.02936	9.0
111.00826	2.2
113.02451	8.5
113.06059	9.3
117.05463	1.1
119.03508	9.2
119.55857	1.0
121.02975	1.1
122.03663	1.1
123.00916	9.3
123.04506	6.2
124.01637	1.0
125.01506	1.6
125.02436	25.3
125.72400	1.0
126.02802	1.0
131.03452	3.6
135.03644	1.2
135.04520	15.3
137.02457	14.1
138.05559	4.2
139.00388	5.8
140.01060	3.3
141.01865	1.3
143.03433	1.3
144.72588	1.0
144.80632	1.0
145.05087	1.1
149.04507	3.6
151.00360	8.9
151.03900	1.6
152.01073	3.7
153.00903	1.0
153.01924	13.4
153.05498	3.8
154.02556	2.0
155.10698	1.5
160.04024	2.1
161.02351	1.3
161.04558	4.8
165.01888	1.7
165.05486	1.1
166.02675	1.0
166.05048	1.3
167.03436	4.1
167.07054	4.0
168.00560	3.1
169.01428	24.0
169.04953	1.5
170.01707	1.9
179.03377	1.0
179.05502	2.5
181.04973	1.3
191.05513	2.7
195.02856	3.8
205.97919	0.9
211.02446	8.4
217.10750	1.2
233.09145	1.7
255.04961	2.0
257.00955	1.0
267.07001	1.1
269.13916	1.0
271.04517	6.8
275.02115	1.0
279.72025	1.0
287.10156	2.2
289.87845	1.0
293.08682	3.0
297.05963	2.7
300.99924	2.2
305.06860	1.3
305.10583	5.5
313.05542	2.4
313.12677	3.4
315.07614	1.1
315.10818	8.0
319.21039	1.3
323.13266	3.2
357.08545	1.0
365.14359	1.4
385.59525	4.3
387.03513	1.6
391.02811	2.9
407.14258	1.5
407.22781	14.7
408.22971	1.2
423.11597	3.3
429.13541	1.4
431.15414	5.9
458.24277	1.3
467.11572	100.0
468.11661	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	467.1191
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
54.63499	0.5
55.43576	0.4
57.03447	10.1
59.01099	0.7
59.01379	8.5
61.98825	1.6
69.37125	3.8
71.01380	2.8
78.64217	0.4
81.03448	0.9
83.01369	2.3
85.02950	1.1
89.02444	1.9
93.03468	1.0
95.01398	1.7
96.96003	2.2
97.02958	1.1
99.00884	2.0
99.04523	0.7
101.02431	1.0
108.02170	0.4
109.02928	3.6
109.17758	0.4
111.00881	4.1
113.02463	1.4
118.22999	0.4
119.03500	0.8
121.02939	1.3
122.03757	1.3
123.00880	1.2
123.04529	3.0
125.02441	100.0
126.02793	2.2
133.02950	2.7
135.04475	1.1
137.02463	5.3
139.00352	7.9
139.03986	0.7
140.01135	2.4
141.01920	1.2
149.02425	0.9
151.00327	0.8
151.04012	0.8
153.01953	5.6
153.05560	1.1
154.02628	0.8
159.04533	0.8
161.02431	26.6
162.03146	2.2
163.00374	1.2
164.01158	5.1
165.01912	4.0
165.05492	0.5
167.03465	1.0
168.00600	0.5
169.01378	2.4
175.03987	1.2
177.05507	0.9
179.05560	0.8
180.00629	0.6
181.01395	3.2
195.03014	2.4
201.05527	1.4
203.03494	1.5
205.04961	1.0
219.06596	0.8
243.06726	1.5
244.03737	0.8
245.00946	0.9
245.04633	0.5
245.07748	0.4
269.04404	0.7
271.04517	0.8
287.05612	5.4
293.71698	0.4
300.99918	0.6
304.05939	2.6
305.06641	31.2
306.07028	2.3
313.05783	1.1
348.20627	0.4
391.03125	1.2
404.12671	1.3
407.22952	2.3
421.06052	0.5
423.09088	0.8
454.94135	0.5
467.11871	44.3
468.12509	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	467.119
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
57.03441	0.7
58.74286	0.5
59.01375	6.0
60.01712	0.5
61.35603	0.4
61.98524	0.6
61.98825	8.6
67.01863	0.8
69.03454	1.0
69.33154	4.2
71.01375	6.9
72.99290	1.3
73.02952	1.2
79.01909	0.7
79.95741	0.8
83.01372	1.9
85.02944	4.0
86.54383	0.5
87.00875	1.2
89.02438	2.1
93.03419	1.4
95.01389	2.5
95.95226	0.5
96.96004	9.0
97.02930	1.0
98.95567	3.1
98.96434	0.6
99.00851	1.3
101.02450	3.8
107.00711	0.7
107.01378	8.1
109.02930	2.1
111.00891	2.6
113.02442	2.7
119.03442	0.7
120.48412	0.5
121.02953	0.8
123.00879	25.7
124.01681	5.7
125.02441	33.1
126.02759	0.9
127.00350	1.5
135.04497	0.5
135.36227	0.5
136.98805	2.5
137.02420	1.1
138.03221	15.3
139.00348	7.1
139.04019	4.2
140.01176	4.1
141.01901	1.8
145.02818	0.6
149.02451	1.0
149.06033	0.7
150.99173	0.7
151.00368	8.2
151.03972	0.9
152.00787	0.7
153.01953	4.0
153.05579	3.2
155.03450	0.5
161.04539	0.6
165.01978	0.7
166.99817	0.7
168.00615	6.0
169.01418	42.3
170.01727	0.9
177.01822	0.9
181.27895	0.6
183.02951	7.2
191.05556	1.2
194.80467	0.5
211.02403	1.5
217.04805	0.5
241.03317	0.6
253.03201	0.6
255.02901	0.8
256.03195	0.6
256.99658	0.5
261.68576	0.5
271.02328	1.1
272.02774	0.8
285.07690	0.8
297.06055	1.6
300.02612	1.1
301.03152	1.2
302.03754	0.8
313.02328	0.5
313.05646	8.9
314.05893	0.6
327.07031	2.6
328.07483	0.5
385.59653	1.9
407.22614	2.2
452.09500	1.0
466.62177	3.9
467.11771	100.0
467.62845	0.6
468.11972	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	467.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61859	2.7
57.03473	2.5
59.01383	12.2
60.59523	2.1
61.98824	13.3
69.03444	3.0
70.96923	3.3
70.97257	4.2
71.01370	10.4
73.02949	3.8
78.25084	2.2
79.95729	2.3
85.02957	6.1
87.04506	30.2
89.02422	4.0
93.03458	5.4
96.96004	13.7
98.76182	2.4
101.02444	5.4
102.98560	2.9
108.23957	2.3
109.02934	4.2
113.02457	3.3
123.00874	13.2
124.01658	17.2
125.02415	3.4
137.02431	6.4
139.03993	21.7
139.11311	5.8
159.02783	2.3
161.02316	2.4
161.04544	5.2
164.38538	2.3
167.03410	3.2
173.99612	2.5
183.10284	21.3
191.05562	4.8
194.11540	2.1
269.17557	100.0
270.17871	7.7
461.19757	2.2
467.20151	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03085	1.0
55.01880	1.5
57.03446	1.4
58.00601	3.3
59.01377	100.0
61.98831	5.1
65.18208	1.1
71.01382	35.0
71.59794	1.9
72.99300	3.6
73.02943	26.4
74.99108	1.7
75.00869	1.2
83.01382	3.4
85.02948	12.4
86.00061	1.0
87.00880	10.2
87.04535	2.6
89.02448	37.4
93.03516	1.0
94.65017	1.2
95.01385	1.5
96.96005	9.1
98.95626	1.3
99.00902	2.0
101.02441	55.2
103.04012	17.7
107.77865	1.0
108.12115	1.0
113.02461	9.5
115.03989	8.9
119.03500	12.8
121.01120	0.9
125.02485	5.1
127.04033	1.2
131.03494	11.6
143.03513	14.3
145.05067	6.7
161.04550	2.9
163.06113	77.0
164.06369	1.1
173.11812	5.8
179.05585	4.8
187.09735	1.2
201.76749	1.2
205.07141	25.3
231.15948	6.9
235.08150	1.6
257.22354	1.0
261.13367	1.5
265.09277	7.2
269.17477	2.0
273.02884	1.1
275.14975	3.0
302.03442	1.5
303.03760	2.4
304.03970	2.6
335.17068	6.8
407.19180	43.3
408.19550	4.3
467.09833	2.7
467.15372	7.3
467.21283	24.4
468.21692	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	467.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00588	3.2
59.01377	100.0
61.98829	8.3
71.01378	42.1
71.61668	1.6
71.81676	1.2
72.99306	4.5
73.02942	28.9
74.99107	2.7
75.00869	2.5
79.95739	2.0
83.01379	3.3
85.02951	17.7
86.00111	2.0
87.00861	10.0
87.04512	2.9
89.02441	34.1
96.96008	14.2
97.02970	2.2
98.95594	4.8
99.00892	4.3
101.02440	56.5
103.04017	17.9
113.02438	13.3
115.04012	7.3
115.95313	1.2
119.03491	12.7
120.99592	1.4
125.02444	5.8
125.09680	2.4
131.03494	14.2
133.05051	2.6
136.99182	1.8
143.03491	12.1
143.13054	1.6
145.05080	4.9
161.04594	3.9
163.06117	72.0
164.06631	1.4
169.01334	2.3
171.10271	2.2
173.11829	14.4
175.02449	2.9
179.05592	3.5
181.10359	1.3
181.78871	1.4
187.09750	3.9
187.13347	1.4
205.07132	19.9
231.15909	3.9
261.13391	1.6
265.09348	6.4
269.17615	5.1
273.11841	1.4
275.15073	5.7
291.11176	2.4
301.03293	1.5
303.03540	3.1
303.24942	1.4
304.04065	2.2
317.15714	1.7
325.11188	1.7
335.17096	16.5
336.17981	1.3
407.19165	42.4
467.15070	12.3
467.21375	53.9
468.21658	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	467.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
56.84731	0.7
57.03428	1.6
58.00593	1.2
59.01375	65.0
61.98808	1.9
69.39420	4.4
71.01376	28.5
72.99300	2.4
73.02943	12.8
75.00872	0.9
83.01373	6.9
85.02943	15.9
87.00871	2.0
89.02441	4.1
94.15121	0.6
95.01389	1.8
96.96016	3.1
99.00892	5.7
101.02435	34.4
101.06079	1.2
109.02934	0.8
111.00863	1.1
113.02451	11.8
119.03492	0.8
119.05049	1.2
131.03491	34.5
133.05070	1.1
135.04514	1.4
143.03479	1.6
151.00327	0.8
159.02960	2.9
161.04535	12.3
172.04842	0.6
173.04587	0.7
181.05037	1.4
181.70627	0.7
200.91443	0.7
255.02838	0.7
268.92343	0.7
274.00192	0.6
275.14975	100.0
276.15259	4.9
301.03226	0.9
319.13779	0.6
335.20694	2.4
337.76804	0.6
368.43915	0.7
407.19186	22.6
408.19324	1.2
423.09241	0.6
432.95139	0.7
467.10983	1.0
467.17548	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	467.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	0.8
61.01795	0.4
61.98828	6.1
69.28070	1.6
69.28506	2.0
71.01377	8.0
71.37502	0.4
73.02935	1.2
77.13073	0.4
82.70451	0.4
84.69946	0.4
85.02966	1.5
87.00892	0.8
89.02442	10.3
95.01419	1.0
96.96022	1.5
101.02437	5.8
107.01330	0.4
109.02977	1.2
113.02435	3.9
119.03493	4.8
123.00966	0.5
123.04492	0.6
125.02414	2.0
131.03485	0.6
143.03481	0.9
149.04573	1.0
153.01978	1.3
153.05617	0.7
153.09229	0.6
161.04575	4.0
169.01407	2.3
179.03395	0.4
179.05597	5.1
245.17525	3.6
300.99936	1.3
308.32175	0.4
313.05856	1.5
344.35645	0.4
391.03015	2.4
391.53278	0.9
407.22812	19.1
408.23328	1.5
408.28232	0.4
467.07324	0.5
467.25369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3163
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
50.08321	0.3
50.28043	0.2
61.98834	0.4
73.88390	0.3
97.97340	0.3
98.19481	0.2
98.19731	0.5
110.85703	0.4
125.09702	0.3
247.61459	0.3
257.80579	0.3
287.48251	0.3
389.24905	0.5
391.26407	6.3
392.26596	0.6
405.27853	3.7
406.28122	0.5
407.29556	4.7
421.31079	86.2
422.31390	9.2
423.32712	3.1
467.31616	100.0
468.31964	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	468.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74101	0.2
59.01377	1.2
59.66371	0.2
61.98827	100.0
69.11437	0.2
71.01391	1.1
71.59291	0.4
73.02930	0.3
74.83947	0.2
75.00909	0.3
77.84019	0.2
79.95737	0.2
87.00897	0.3
88.04049	0.6
89.02451	0.9
96.96008	7.8
98.24184	0.2
100.36901	0.2
101.02410	0.4
104.29776	0.2
113.02436	0.5
120.99667	0.3
123.00874	0.3
125.02402	1.3
146.08257	0.8
151.00360	0.3
161.02458	0.4
165.01913	0.2
169.01492	0.4
191.05623	0.3
207.68503	0.3
218.10416	0.2
233.06754	0.3
249.06223	0.4
256.33411	0.2
259.98926	0.2
293.08682	1.3
308.87762	0.2
317.87155	0.2
405.10559	0.9
423.77570	0.3
433.13672	1.0
440.06039	0.3
468.04742	0.3
468.17471	2.2
469.11423	0.6
469.17520	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	468.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00781	0.2
54.84826	0.2
59.01378	1.6
60.01693	0.3
61.98828	100.0
70.82600	0.4
71.01380	0.8
75.00915	0.2
79.95716	0.2
83.01402	0.3
85.02959	0.2
86.21263	0.2
89.02448	0.8
92.00882	0.2
96.96010	6.5
98.08961	0.2
101.02455	0.6
113.02465	0.3
116.53302	0.2
119.03492	0.3
123.00896	0.3
123.04361	0.2
125.02439	1.4
126.76395	0.2
133.36847	0.2
134.05728	0.3
137.02467	0.5
146.24806	0.2
165.01945	0.3
169.01431	0.6
179.05640	0.2
202.67418	0.2
300.99905	0.3
391.53397	0.5
409.17261	0.2
433.13687	0.3
469.17560	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	469.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
57.03416	1.1
58.00588	1.0
59.01099	1.3
59.01376	16.9
61.98526	1.2
61.98825	20.1
63.99248	1.0
69.03436	0.8
71.01380	16.8
71.61385	0.8
72.99293	1.6
73.02936	4.7
79.95736	5.2
81.03461	1.5
81.03954	0.7
82.02969	1.4
82.95418	1.6
83.01362	1.6
85.02934	6.7
87.00862	2.1
88.98872	0.6
89.02434	9.9
93.03442	1.0
95.01377	3.1
95.95180	1.6
96.96004	81.5
97.02915	1.2
97.95954	0.8
98.95583	4.6
99.00875	1.9
101.02435	13.0
101.06075	12.3
103.03980	2.5
107.01391	2.8
107.04995	1.1
109.02937	3.0
110.02508	0.7
111.00864	1.9
111.04525	2.0
113.02422	4.7
113.06066	2.6
119.03470	3.0
121.02896	1.0
123.00877	5.7
123.04507	9.4
123.11079	0.7
124.04845	2.4
124.25458	0.7
125.02436	19.6
126.02778	2.5
131.03549	0.9
133.02893	0.9
134.03700	5.5
135.04492	2.6
136.99055	1.1
137.02440	6.8
138.05588	2.3
139.00346	2.3
139.04024	0.9
139.72797	0.7
140.01128	1.1
143.03493	1.4
145.02910	0.9
149.04541	1.7
149.06070	1.4
151.00394	4.5
153.01930	2.1
153.05563	8.6
154.05894	5.2
155.03464	1.0
155.06017	1.3
156.06630	2.3
160.01642	1.5
161.04558	2.3
163.04005	1.3
163.06114	3.7
165.01920	29.4
168.00632	1.0
169.01407	17.2
170.01796	3.8
171.01930	1.2
172.01628	5.8
173.02321	1.1
177.01865	1.0
178.02673	3.1
179.03484	4.2
180.04263	23.0
185.02356	1.5
188.01151	1.0
193.05051	9.0
194.05750	1.0
195.02953	1.5
195.06609	34.5
196.06946	0.9
197.04604	0.9
199.00143	0.9
200.01102	2.6
201.01817	1.3
204.06473	0.7
210.05368	3.6
211.02444	2.0
216.00581	4.5
219.10512	1.0
225.07664	22.4
228.00618	6.4
229.01311	2.8
233.75635	0.7
235.04335	0.8
242.99356	2.0
243.08714	1.0
244.00089	6.4
245.00804	1.4
255.05051	0.8
270.98813	11.6
271.04459	1.4
271.10727	0.8
271.99582	7.9
275.02179	0.7
282.98685	5.0
283.99435	2.2
289.07150	3.0
289.11090	1.6
289.81821	0.7
298.98279	27.2
299.99075	100.0
300.99826	66.2
302.00220	2.6
307.09961	3.5
307.17596	0.9
313.05643	2.7
314.05951	3.3
315.06091	1.5
337.18771	2.4
401.12595	0.8
408.22986	1.1
409.15848	1.2
409.24277	1.6
421.14502	0.8
425.01459	21.0
425.10226	1.0
426.01755	1.4
431.15506	1.5
433.13480	2.0
451.17395	1.6
468.11243	7.0
468.17294	2.6
469.12381	15.5
469.17407	46.2
469.23145	7.1
470.17841	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	469.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02620	1.5
52.45625	1.6
54.38754	1.6
59.01377	14.3
61.50946	1.5
61.98832	11.2
69.51817	3.8
69.52222	7.0
71.01387	11.8
71.12977	1.4
71.55821	1.8
72.99301	1.8
79.27600	1.6
79.95705	4.0
85.02946	3.3
87.00855	2.4
89.02447	16.6
95.01333	1.6
96.96005	98.7
97.02932	2.8
99.00851	3.2
101.02456	4.4
113.02436	3.5
124.01646	2.3
125.02444	9.4
131.03467	2.2
137.02415	2.4
139.04015	2.1
145.08614	1.5
149.04558	4.4
191.05540	2.0
201.09235	1.4
205.40952	1.8
217.18851	1.5
233.06650	7.2
289.11200	2.1
293.08746	33.9
406.10266	2.2
433.13483	30.8
434.14005	3.0
469.10928	25.3
469.17429	100.0
469.65262	1.7
470.11877	2.2
470.17682	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	469.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.6
61.98820	1.7
69.47975	11.7
71.01382	2.2
79.95732	52.0
80.96507	2.5
82.95405	3.7
96.77619	1.4
96.96002	12.8
98.19862	2.7
151.03957	2.3
160.01645	3.9
175.03973	1.8
196.47824	2.4
203.98944	1.8
212.76894	1.7
242.09502	4.0
243.96739	4.8
255.02869	3.1
257.11862	2.5
258.08856	3.0
263.15125	1.9
269.08301	2.6
270.08951	11.8
271.02411	6.1
284.06772	3.2
285.11334	13.1
286.08569	3.6
297.07697	1.8
298.08383	4.6
299.09189	13.2
300.02588	8.7
301.03513	1.8
301.10776	6.9
310.08350	1.9
311.09155	5.7
312.99768	2.0
313.10809	4.4
314.07913	12.3
324.10010	1.9
325.10776	4.9
326.07825	6.4
326.11523	3.6
329.10263	38.7
330.10873	1.8
340.12982	2.2
341.10251	37.0
342.10654	2.5
344.12598	64.0
344.16760	3.1
345.12930	6.2
356.12613	17.4
359.14975	83.8
360.15289	5.0
371.14948	43.9
372.15341	4.1
409.20642	3.2
433.07788	8.4
443.39694	1.7
469.11679	100.0
469.21515	4.6
470.11658	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61882	0.7
55.01872	1.5
57.03451	6.2
58.00595	1.6
59.01374	71.0
59.36146	0.7
61.98826	12.1
69.03462	0.8
71.01377	32.6
71.61720	1.1
72.99281	1.9
73.02943	12.8
75.00848	1.6
78.29286	0.7
79.95718	1.2
80.96509	1.3
82.42819	0.8
82.95420	10.1
83.01386	6.8
85.02944	19.5
87.00829	1.1
89.02439	10.1
89.09791	0.8
91.91101	0.7
93.03462	4.0
95.01382	1.6
96.95369	1.3
96.96008	33.4
99.00871	5.5
99.04512	4.4
101.02439	38.1
111.00885	1.9
113.01699	1.3
113.02436	15.1
117.03437	7.3
119.03513	3.3
119.05019	52.6
119.55665	0.8
120.05337	2.0
121.02950	4.9
123.04496	1.8
125.02441	4.0
129.01956	0.9
131.03493	35.4
131.04968	1.3
132.05838	4.1
133.02925	1.4
133.06580	19.6
134.06932	0.9
135.04536	1.4
137.02412	1.4
143.03470	1.4
145.02943	40.9
146.03378	0.7
147.04468	1.7
148.05290	1.4
149.06079	1.2
153.05560	1.4
157.72191	0.7
159.02931	2.3
159.04373	1.5
161.02396	2.1
161.04562	8.4
161.06049	46.3
162.03163	1.2
162.06374	1.7
163.03998	72.3
163.07643	6.9
164.04344	1.9
167.03543	0.8
177.05548	22.8
178.05875	1.2
187.03947	2.5
205.05032	53.1
205.12195	0.8
206.05376	2.5
235.06093	19.1
265.07129	30.4
266.07416	2.1
269.17538	1.5
277.16531	88.3
278.16937	3.9
287.57108	0.8
301.00021	0.8
307.07635	0.9
323.13443	27.3
324.13672	1.6
325.09256	2.2
409.15405	1.4
409.20755	26.4
410.21188	2.1
469.07959	3.6
469.17041	100.0
470.17084	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	469.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09048	0.3
59.01381	0.9
69.49020	2.1
71.01365	0.8
79.95737	2.9
85.01066	0.3
85.02951	0.5
87.21040	0.2
87.94858	0.3
93.19875	0.3
95.95226	1.2
96.96005	100.0
101.71323	0.4
112.98808	0.6
126.90516	0.3
128.03534	0.7
145.01411	0.7
165.04010	0.7
191.05595	0.8
257.08417	0.5
259.10068	0.4
263.05612	0.3
289.11157	1.0
302.47678	0.3
307.12161	0.6
469.17450	94.0
470.17804	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
61.98824	0.7
69.41036	1.1
69.41465	0.8
71.01388	0.8
75.69002	0.2
79.95732	4.3
80.91640	0.2
80.96545	0.2
82.95409	1.4
85.02958	0.3
89.02455	0.5
95.95235	1.1
96.96007	100.0
101.02467	0.6
113.02463	0.4
125.02410	0.4
147.06667	0.2
153.05490	0.3
161.02594	0.2
176.96368	0.3
233.04869	1.0
260.03348	0.3
289.11124	21.8
290.11469	1.2
291.12692	3.2
299.99371	0.3
374.13565	0.3
469.12512	2.3
469.17453	63.2
470.17853	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	469.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93495	0.3
59.01362	0.7
60.16860	0.3
61.98816	0.9
79.95737	3.1
95.95238	1.3
96.96006	100.0
101.02412	0.5
106.10656	0.3
132.17609	0.3
134.99739	0.3
138.01955	1.1
195.06725	0.4
203.23547	0.3
228.67860	0.3
257.08551	0.6
273.11972	0.3
289.11215	1.3
307.12189	0.6
469.17438	96.1
470.17758	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	469.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94849	0.3
69.27195	2.5
69.27607	0.8
79.95734	3.6
95.95219	1.2
96.96004	100.0
120.01891	0.3
126.83867	0.3
171.80298	0.3
178.92726	0.2
190.15311	0.3
248.51254	0.3
257.08542	0.6
270.16913	0.3
289.11145	0.9
307.12296	0.4
417.17874	0.3
469.17435	68.7
470.17770	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	469.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33957	0.2
58.92599	0.3
59.01376	2.6
60.40067	0.2
61.98837	1.3
69.43273	2.0
71.01385	1.7
73.02933	0.9
75.00870	0.3
79.95735	3.8
85.02936	0.8
87.00873	0.6
88.98809	0.3
89.02449	1.2
95.95230	2.0
96.96005	100.0
101.02454	1.3
103.04007	0.4
106.48306	0.3
115.03996	0.3
125.02426	0.7
131.03506	0.4
137.66774	0.2
143.03468	0.5
163.06111	0.6
165.01923	0.9
169.01421	0.4
177.33116	0.2
180.04276	0.5
195.06610	0.8
199.81458	0.4
205.07184	0.4
225.07722	0.3
271.04599	0.3
289.11099	1.7
299.98944	0.5
318.62027	0.2
347.99573	0.3
395.24142	0.2
409.17270	0.3
469.17465	82.2
469.99356	0.3
470.07462	0.3
470.17847	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	469.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.9
59.01374	83.2
61.98828	11.2
69.03449	3.5
70.60145	2.0
70.60493	2.1
71.01377	40.5
72.99294	5.1
73.02938	21.8
75.00866	14.4
79.95734	5.4
81.03441	3.4
81.63204	1.1
82.95413	1.5
83.01376	3.7
85.02943	18.4
85.31368	1.2
87.00861	5.7
89.02441	27.8
90.67123	1.4
93.03446	2.6
93.65544	1.2
95.01369	1.4
95.13125	1.3
96.96008	58.1
97.02943	6.6
98.19933	1.2
98.95596	2.7
99.00858	2.5
101.02429	38.7
101.06075	100.0
102.02748	1.5
102.06403	2.3
103.03995	22.8
107.01366	1.5
109.02936	4.9
113.02435	5.6
114.95212	1.2
115.03986	3.0
119.03498	10.6
120.99664	2.0
123.00870	5.5
123.04490	1.3
125.02442	37.2
126.02746	1.8
127.03960	2.2
131.03491	3.0
133.05103	1.2
134.03697	4.0
137.02451	8.5
139.00323	3.3
139.04015	1.5
143.03484	4.8
145.05090	5.9
149.06062	2.0
151.00357	5.0
151.04002	2.2
153.01875	4.2
153.05547	1.7
161.04549	2.0
163.06117	37.5
168.00591	1.5
169.01418	12.2
178.02701	4.1
179.03513	2.8
193.05042	9.2
195.02982	3.5
204.99622	12.0
205.07176	6.6
211.02562	2.1
220.01982	13.2
235.04326	16.8
244.00165	1.5
247.08289	6.1
255.05006	4.7
271.05374	1.1
289.07080	7.5
289.11017	3.3
298.98322	3.4
299.99011	13.4
300.99860	7.1
307.10284	31.2
308.10483	1.5
313.05731	1.6
318.52335	1.3
351.70850	1.3
374.13516	1.7
383.86316	1.3
409.17056	11.9
409.21896	1.3
409.24426	1.7
425.01324	2.9
469.11487	22.4
469.17542	34.3
470.12601	3.3
470.18503	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36784	1.2
57.03435	1.3
58.00590	2.6
59.01375	93.3
60.01695	1.8
61.98822	9.2
69.03464	1.9
70.68536	1.1
71.01382	35.0
71.27556	1.2
71.29539	2.5
72.35707	1.3
72.99301	4.8
73.02939	27.8
79.95734	3.2
83.01377	3.3
85.02940	14.1
87.00870	9.8
87.04491	3.3
88.98798	2.1
89.02443	33.7
92.47511	1.3
94.66551	1.2
95.01376	1.7
96.96006	78.3
97.02943	2.3
101.02437	62.0
103.04008	23.5
111.04514	1.5
111.18128	1.2
113.02438	6.7
115.03992	6.2
119.03494	13.5
125.02448	6.3
127.03999	2.4
131.03479	11.4
133.04951	1.3
137.02403	2.4
137.84122	1.3
143.03487	13.7
145.05075	9.3
161.02374	2.2
161.04572	2.4
163.06111	100.0
164.06439	2.6
165.01929	2.5
169.01366	1.7
179.05640	2.2
195.06500	1.6
203.08232	2.0
205.07133	28.0
235.08075	1.7
241.00014	1.1
261.00415	2.1
265.09271	13.1
288.99838	1.9
293.08936	1.5
325.11508	1.8
361.12585	1.3
409.17010	24.3
469.06799	2.4
469.17490	53.3
470.18094	2.9
474.94891	1.5
488.91455	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.5
57.03450	1.5
58.00594	2.5
59.01378	75.0
61.98827	8.8
68.22399	1.2
69.03430	2.7
70.63342	4.8
71.01378	41.7
71.05019	3.6
72.99297	4.5
73.02948	23.6
75.00867	2.5
79.95753	3.7
83.01370	8.3
83.05028	2.4
85.02941	18.0
87.00883	6.0
87.04507	1.8
89.02444	26.6
94.26767	1.4
95.01380	2.9
96.96010	100.0
97.02934	3.3
98.20003	1.4
99.00874	2.3
101.02443	53.7
101.06069	8.8
102.32981	1.4
103.03996	16.7
109.02972	2.1
113.02440	12.6
115.03995	5.4
119.03498	9.5
125.02424	8.5
127.04009	2.8
128.43703	1.9
131.03517	9.0
143.03485	9.2
145.05052	4.9
161.04546	10.1
163.06128	55.5
165.01938	2.3
169.01349	1.8
174.81799	1.4
179.05750	2.0
195.06747	1.7
205.07147	13.1
261.00348	1.8
263.11337	11.3
265.09253	5.2
271.04590	1.4
293.08905	5.9
307.10208	8.1
359.27872	1.5
391.15305	1.4
409.17120	67.0
410.17575	3.6
433.13248	2.4
468.64282	1.7
469.17529	77.8
470.12155	2.4
470.18137	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	469.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03448	2.8
59.01374	19.7
61.98823	2.2
71.01379	33.3
71.05033	4.5
72.99297	1.4
73.02940	10.1
83.01405	3.6
83.05038	3.6
85.02943	15.4
85.03394	1.4
87.04440	1.5
89.02427	7.2
93.03502	1.0
95.01412	2.4
96.96027	3.6
99.00864	4.6
101.02441	22.0
101.06080	10.5
113.02446	15.4
119.03506	3.0
123.08180	1.2
125.02494	1.8
133.10254	2.9
135.11801	28.5
136.12193	1.3
142.19370	1.0
159.03043	2.8
159.08246	2.7
161.04558	19.1
161.09717	14.0
179.10764	100.0
180.11131	2.3
193.12462	1.4
205.06599	0.9
205.08644	1.6
219.66617	1.1
221.11716	1.0
223.09796	2.5
263.11279	14.8
263.13574	1.3
300.99857	1.1
362.35202	0.9
383.18018	1.3
407.18155	1.2
425.21915	3.5
451.16977	2.0
469.20908	44.2
470.21066	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	469.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03424	2.0
59.01376	69.5
61.98824	2.5
65.00294	1.3
71.01374	27.8
71.61555	1.7
73.02947	15.2
75.00854	2.5
75.62284	1.4
79.95740	4.4
82.95406	2.5
83.01391	13.0
83.05068	1.2
85.02946	17.2
87.00865	2.2
89.02438	5.3
93.03439	2.9
95.01378	3.9
96.96000	24.3
97.02945	1.5
99.00843	7.1
101.02435	39.1
107.01421	1.9
113.02441	16.4
119.03524	1.6
119.05025	5.7
123.04514	1.7
125.02422	3.1
129.01898	2.0
131.03462	3.9
135.04465	2.0
137.02437	4.2
145.02950	3.4
151.00369	6.6
153.05479	1.9
159.03000	4.0
161.04597	11.0
163.04053	2.0
163.06087	1.7
175.00346	2.7
175.02426	1.5
205.05046	4.4
246.54802	1.3
259.02811	2.0
260.40231	1.3
263.14966	65.6
264.15347	2.8
265.07245	1.8
268.57874	1.6
271.06094	25.2
277.16589	9.5
318.45233	1.3
323.13409	2.3
389.25238	3.2
409.20740	100.0
410.21085	7.2
469.11279	2.9
469.16763	5.5
469.22235	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	469.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60214	0.8
55.01861	2.5
57.03440	2.6
58.00599	0.7
59.01375	72.8
61.98823	3.9
70.44689	0.8
71.01373	26.0
72.99314	1.4
73.02947	11.9
79.95725	0.9
82.95419	1.5
83.01374	7.5
85.02946	16.0
86.00069	0.8
87.00859	1.6
89.02428	5.4
95.01379	2.2
96.96006	26.0
97.02945	1.4
99.00877	6.0
101.02437	39.5
111.00863	1.1
113.02444	13.8
117.03445	1.6
119.03536	1.0
119.05030	10.2
125.02443	1.9
129.01945	1.5
131.03497	43.3
131.52719	0.9
133.06609	4.0
143.03482	1.3
145.02948	6.8
159.02977	2.5
161.02399	1.4
161.04541	9.9
161.06065	10.1
163.04021	12.6
163.07690	1.2
177.05547	4.8
194.11360	0.8
195.42395	0.9
205.05051	9.5
235.06131	4.2
265.07190	6.0
277.16528	100.0
278.16891	5.0
323.13446	6.1
409.20746	32.3
410.21085	3.0
469.16891	20.3
470.17007	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	469.332
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
59.01368	1.2
61.98828	1.0
62.72338	0.5
68.63463	0.5
68.99562	0.7
71.05008	1.0
78.43831	0.6
81.01111	0.5
85.12109	0.5
87.50865	0.6
90.84231	0.6
96.96036	0.7
98.20764	1.2
112.98570	0.9
293.22757	1.3
387.30649	1.8
391.51523	0.7
401.28534	2.7
403.29898	3.4
405.31613	17.0
406.32101	2.3
419.29529	1.8
421.26984	0.8
425.30331	0.7
437.30759	2.0
439.32349	1.9
449.30777	2.5
451.32141	74.9
452.32462	6.7
469.33255	100.0
470.33542	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	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37759	0.2
64.19102	0.2
67.48932	0.2
69.42855	0.5
69.43272	0.9
70.90968	0.2
71.05019	0.2
97.06557	0.5
109.94523	0.2
121.52383	0.2
126.37667	0.2
153.09183	0.7
189.12880	0.4
201.12872	0.3
205.16045	0.3
217.15974	0.4
233.15381	0.3
235.17020	0.8
381.31644	0.3
405.31537	0.7
407.33249	0.5
409.31070	1.8
423.32614	2.0
425.34250	5.7
426.34460	0.5
439.32312	1.1
451.32443	0.4
469.33167	100.0
470.33542	10.7
470.40387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24545	0.3
70.80367	0.9
70.80743	0.7
82.30029	0.4
94.27273	0.4
95.83784	0.3
155.09399	0.5
184.66776	0.3
301.11456	0.4
359.77463	0.4
393.27985	2.8
407.29352	2.9
408.29736	0.4
409.31125	2.7
410.31516	0.5
423.32654	75.5
424.33029	7.8
425.34192	1.0
469.33185	100.0
470.33563	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	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50092	1.0
71.01396	1.1
84.84993	0.3
86.16355	0.3
87.84885	0.4
154.19231	0.3
231.92433	0.4
249.18527	0.4
274.88638	0.3
383.29587	3.6
384.29919	0.4
407.27676	0.7
407.33157	14.2
408.33310	1.4
423.32730	2.6
425.34207	100.0
426.34564	11.3
469.33170	68.3
470.33475	7.3
470.40161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25611	2.0
69.26019	0.4
71.05020	2.5
77.55575	0.3
97.06557	0.3
100.13409	0.2
109.06655	0.3
124.98987	0.3
137.09683	0.5
139.11301	0.4
147.34618	0.3
165.80521	0.3
191.14330	0.4
215.14452	0.6
241.16031	0.3
245.19208	0.3
247.82399	0.3
255.17612	0.8
257.19022	0.6
289.21658	0.3
351.26678	0.7
387.30612	0.6
393.27826	2.2
405.31787	0.6
407.29453	2.4
409.31143	1.2
421.31360	0.6
423.32669	44.9
424.32990	4.8
424.38239	0.5
425.34167	1.0
451.32306	1.7
467.31448	0.8
469.33200	100.0
470.33533	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	469.3317
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
59.01396	0.2
60.99294	0.7
61.98846	0.2
67.18275	0.2
70.73602	0.7
78.83784	0.3
85.06570	0.9
97.06583	1.5
112.11084	0.2
302.38641	0.3
309.01764	0.3
321.25870	0.4
360.24530	0.6
375.26852	0.7
377.28183	0.3
389.28522	0.6
391.30103	4.2
392.30084	0.6
393.31635	6.3
394.31790	0.4
395.33154	0.8
407.29736	0.4
413.34674	0.3
423.28363	1.2
425.30469	2.8
426.30777	0.5
437.30548	14.2
438.30969	1.3
439.32089	3.3
440.32642	0.4
461.30157	0.3
469.33170	100.0
470.33563	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	470.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13841	0.3
54.91573	0.3
57.03434	0.3
59.01378	7.4
61.98827	100.0
69.50900	0.6
69.51310	1.8
71.01379	2.5
72.99291	0.5
73.02936	0.4
75.00896	0.5
79.95745	1.4
83.01379	0.4
85.02970	1.2
87.00864	0.3
89.02454	1.5
93.03500	0.3
95.05008	0.3
95.95246	0.4
96.96004	10.9
97.06615	0.4
98.20615	0.7
101.02460	1.8
106.50885	0.3
109.02966	1.4
109.06570	0.6
113.02467	1.1
117.03548	0.3
119.03496	0.6
119.05024	0.7
121.02946	1.1
122.97613	0.7
123.00873	0.3
123.04546	0.4
125.02470	0.7
130.58798	0.3
131.03450	0.5
131.20847	0.3
134.03773	0.5
135.04553	0.7
136.04958	0.4
137.02457	0.9
137.06076	2.7
138.05548	0.4
145.02975	0.9
149.02534	0.4
150.02809	0.4
151.00343	0.5
161.04546	0.4
164.04745	0.6
169.01451	0.7
175.00325	1.5
176.00676	0.9
181.05048	6.5
181.06557	0.4
190.02721	3.4
191.03014	2.5
196.47958	0.4
204.97786	0.9
205.05029	3.6
206.05373	2.9
217.14359	0.5
220.00145	0.9
235.06264	0.4
267.07211	0.5
277.15503	0.4
289.03949	1.4
289.06927	0.4
291.12802	0.3
301.03467	0.5
410.21100	0.5
470.11914	0.8
470.17432	6.9
471.09390	4.3
471.19312	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	471.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44163	0.3
57.01881	0.3
59.01378	8.1
61.98824	0.8
62.00835	0.3
70.08829	1.7
71.01374	1.1
72.74755	0.4
73.02956	0.7
79.95737	10.1
80.96511	3.6
82.95422	0.4
83.01379	0.3
85.02961	0.5
87.00880	0.4
89.02430	0.6
94.98076	0.9
95.01443	0.6
95.95230	7.4
96.96009	100.0
97.03011	0.4
98.95580	0.5
101.02439	1.1
108.02168	1.2
110.97561	1.0
113.02462	0.7
119.04992	1.1
121.02952	0.9
122.97580	6.7
123.00908	0.4
123.04508	1.6
124.01694	0.7
125.02428	0.9
134.03732	0.6
135.04509	4.0
136.01646	0.6
136.05295	2.0
137.02441	0.6
150.03198	3.0
151.03993	1.0
151.07608	1.4
162.03235	1.0
163.03973	0.9
165.05516	1.7
176.41779	0.4
177.05560	1.2
181.08638	0.7
195.06625	9.9
196.06874	0.4
258.01999	2.7
259.02405	0.4
275.02304	10.9
276.02502	0.6
343.12375	0.3
371.13556	0.5
471.09607	56.3
471.17258	2.9
471.18552	2.6
472.09998	5.3
472.16681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03436	2.8
59.01386	4.0
61.15707	0.7
65.91139	0.7
67.01869	1.8
69.03444	1.3
70.94610	1.3
71.01379	51.3
72.99294	1.5
73.02953	3.9
73.80754	0.7
81.03464	0.8
83.01392	3.0
85.02946	26.9
86.00093	0.8
87.00872	7.1
89.02406	1.6
91.16290	0.7
95.01385	3.4
96.96014	1.5
97.02921	0.9
97.35977	0.7
99.00856	0.9
101.02449	5.2
111.00875	3.3
113.02445	32.1
114.02724	0.8
128.89218	34.5
129.01917	2.2
129.89284	1.3
130.88901	1.9
131.03470	3.8
133.02351	0.8
136.89151	0.9
139.00395	1.0
143.03464	1.0
148.22417	0.7
157.01433	2.4
173.04556	6.4
189.03992	1.3
196.00401	0.7
201.04015	7.7
205.07088	1.6
215.05611	1.2
245.06671	3.9
249.06195	3.0
305.08636	0.8
317.08713	4.1
321.08234	1.2
339.09247	2.5
361.07626	1.8
393.10400	3.9
411.11371	10.8
434.98450	1.1
436.61151	0.9
439.10553	0.9
441.04828	1.0
471.13513	100.0
472.13940	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33028	0.5
54.48623	0.5
58.00596	0.5
58.74112	0.6
59.01377	100.0
60.01692	0.8
61.98826	2.3
69.51662	3.9
71.01381	8.8
71.75979	0.5
72.99313	0.6
73.02966	0.6
79.95744	5.0
83.01389	0.9
83.05022	0.8
85.02953	2.3
87.00875	1.0
89.02451	7.2
95.01354	1.0
95.05045	1.1
95.95250	3.5
96.96008	50.6
97.95943	0.7
98.19894	1.1
98.95596	4.5
101.02431	5.3
107.05004	0.5
110.97606	3.2
111.73322	0.5
113.02448	7.4
117.98923	0.5
119.03495	2.6
122.97621	0.7
123.00878	1.1
125.02441	1.4
137.02434	1.0
151.03964	0.6
152.04793	0.7
157.06569	1.3
157.81354	0.6
159.08128	2.5
159.11769	1.3
161.04584	1.7
161.13348	12.7
166.06332	2.5
169.01419	0.9
169.10211	0.5
172.08844	1.0
177.09206	0.6
179.03491	0.9
179.05598	1.6
179.07115	0.9
181.05078	1.2
181.08705	1.1
185.09726	0.8
185.13351	1.9
187.11276	29.5
188.11560	1.1
196.07379	0.9
203.14284	0.8
205.12318	39.1
206.12666	2.0
211.09663	0.8
215.11469	0.5
219.13939	0.7
223.13365	1.9
229.10291	0.9
229.12326	8.6
231.03310	1.3
245.01096	1.2
247.13449	2.7
249.11266	7.3
250.11656	0.7
259.02820	2.2
259.13397	1.4
260.03561	5.6
261.04123	1.0
265.14337	3.0
267.12363	0.8
271.13718	0.6
273.04288	1.6
277.14423	0.7
289.03644	0.8
291.12241	1.5
309.13419	19.3
310.13846	1.1
367.17496	0.6
396.07947	0.5
411.16382	1.4
471.13147	33.3
471.18954	6.9
472.13556	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	471.3111
Annotation	Comnostin D
Peak:m/z	Relative Intensity
59.01370	1.2
71.05029	1.7
83.04987	0.5
98.20687	0.7
105.41182	0.5
121.06532	0.5
159.63597	0.5
180.03813	0.5
187.14883	4.0
205.15974	5.0
219.13847	0.9
221.15446	38.1
222.15768	1.7
231.13972	1.2
249.14932	22.8
250.15208	1.0
411.32956	1.3
427.32220	3.4
455.31519	0.7
471.30408	100.0
472.30902	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	471.3476
Annotation	Microfokienoxane C
Peak:m/z	Relative Intensity
62.72613	0.2
70.70945	0.5
72.31853	0.2
86.00527	0.2
201.23000	0.2
215.16827	0.2
393.31723	0.6
423.32651	0.7
425.33331	0.4
453.32794	0.4
471.34741	100.0
472.35114	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	471.3477
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.02277	0.2
57.87470	0.3
59.01373	1.0
62.58299	0.3
71.16633	0.5
74.16540	0.3
79.97083	0.2
106.39332	0.3
238.37782	0.3
268.56195	0.3
363.49112	0.3
393.27905	0.4
397.31030	0.4
407.28625	0.4
407.33493	0.9
409.31024	1.2
411.32907	0.5
423.33194	0.3
425.30545	0.9
427.31641	0.5
437.30484	0.4
439.27792	0.3
441.33670	1.1
453.33810	0.8
455.31625	7.3
456.32117	0.8
471.34793	100.0
472.35172	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
60.64044	0.1
68.13148	0.1
70.73243	0.2
70.73612	0.2
71.05021	0.2
73.62610	0.1
76.79456	0.1
89.91768	0.1
90.46601	0.1
117.03455	0.1
145.10229	0.1
293.81100	0.1
316.07776	0.1
328.00842	0.1
391.30283	0.7
392.30450	0.1
423.32587	0.4
427.32474	0.2
439.32327	0.1
469.33221	0.2
471.34747	100.0
472.35101	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	471.3473
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
58.20213	0.5
70.42116	0.5
71.05016	0.8
71.05482	1.4
71.05857	0.5
72.43603	0.6
80.42436	0.5
95.61134	0.5
97.06563	4.0
115.21452	0.6
115.55602	0.6
133.20360	0.5
161.61914	0.5
389.28412	1.4
391.30026	6.6
405.31653	7.1
407.33127	12.3
408.33502	1.0
423.29089	1.5
437.30295	1.1
439.32068	1.6
441.33600	3.9
451.32129	14.7
452.32581	1.6
453.33698	69.9
454.34027	9.3
471.34750	100.0
472.35062	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
72.55022	0.2
80.50938	0.2
93.05905	0.2
98.19791	0.3
107.93202	0.2
113.90133	0.2
135.66307	0.2
157.23665	0.2
211.42905	0.2
221.27599	0.2
237.55937	0.2
247.16963	0.2
395.29523	0.5
407.30042	0.2
409.31143	0.8
411.32632	6.8
412.33002	0.8
425.34317	0.5
455.31729	1.1
456.31747	0.3
471.34756	100.0
472.35101	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	471.3477
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01331	0.4
76.36846	0.1
85.35102	0.1
116.36309	0.1
121.00237	0.1
196.63832	0.1
201.58739	0.1
355.26416	0.2
380.34747	0.1
383.29489	0.3
407.33124	1.6
409.34665	0.2
411.32904	0.2
425.34277	1.3
426.34766	0.2
427.35754	24.8
428.30688	0.3
428.36099	2.5
439.31433	0.2
453.33759	2.7
454.34183	0.2
471.34763	100.0
472.35104	12.0
472.42163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
60.99295	0.4
70.32408	1.7
71.05009	0.7
97.06568	2.0
100.09024	0.5
111.04532	0.5
142.00424	0.5
180.79660	0.5
191.14320	0.8
208.32542	0.5
231.13155	0.4
235.17062	0.8
365.28513	0.7
381.31540	3.1
389.28619	1.2
391.30344	1.3
405.31760	2.5
407.33191	4.2
411.32660	2.7
439.32330	0.8
440.06641	0.5
441.33801	7.9
442.34045	0.7
451.32114	13.8
452.32773	1.5
453.33777	13.0
454.34180	1.4
471.34839	100.0
472.35214	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	471.3473
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
59.01338	0.4
70.33210	0.8
70.33593	0.7
98.19962	0.4
165.39006	0.4
191.14439	2.2
205.15919	0.4
207.17516	2.7
268.90533	0.4
299.52975	0.4
407.33188	1.2
425.34354	0.7
427.36026	0.8
453.33331	0.4
471.34772	100.0
472.35153	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	471.3475
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01364	0.3
70.69753	0.3
70.70128	0.2
98.50124	0.2
236.94347	0.1
391.29977	0.2
399.16937	0.1
423.32764	0.9
471.34766	100.0
472.35107	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.73803	0.1
54.06308	0.1
54.90908	0.1
55.30054	0.1
58.41471	0.1
59.01366	0.5
61.36143	0.1
61.37339	0.1
71.05016	3.8
71.16089	0.2
112.96310	0.2
157.08670	0.3
409.31088	0.2
411.56628	0.2
423.32813	0.2
427.32312	0.4
451.31885	0.2
453.30219	0.2
471.34760	100.0
472.35095	11.7
472.42050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01374	7.1
61.98825	100.0
65.21716	0.2
65.68010	0.2
71.01388	1.3
72.99310	0.5
73.02941	0.5
75.00885	0.5
77.27782	0.2
83.01413	0.4
85.02956	0.9
87.00868	0.5
89.02452	0.4
96.95996	1.5
97.02971	0.3
99.00910	0.4
99.04530	0.9
101.02441	0.8
102.15334	0.3
113.02454	1.0
123.04480	0.4
125.02435	1.2
136.05344	0.6
137.91724	0.2
140.39867	0.2
145.02960	0.4
150.05481	0.2
161.02432	0.2
166.05074	7.3
169.38710	0.2
179.10776	0.5
195.10364	0.3
205.92729	0.3
249.06253	0.5
250.59201	0.2
251.16528	0.5
267.07352	0.4
361.11365	0.4
442.22064	0.3
472.15674	0.7
472.66016	0.3
473.16693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59354	0.2
59.01376	0.4
61.98823	0.5
69.81980	0.3
70.04726	0.6
78.95900	3.2
79.95723	2.7
89.02478	0.4
94.73531	0.2
94.77714	0.3
96.96005	100.0
96.96896	5.2
101.02460	0.3
114.95219	0.3
136.93675	0.3
156.99626	0.5
165.05573	0.3
289.96207	0.2
425.07620	0.3
471.34717	0.4
473.14041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.0
59.01104	2.6
59.01375	36.8
61.98837	2.0
68.99802	2.6
69.03429	3.1
69.41601	13.6
71.01382	38.8
72.99310	10.2
73.02928	3.4
75.00465	1.8
75.00873	24.3
79.95708	6.9
80.96490	1.6
82.95386	4.2
83.01374	3.5
84.95098	2.7
85.02459	1.9
85.02950	32.9
87.00868	15.6
89.02439	13.2
91.02895	1.7
91.03985	1.7
91.05500	1.6
93.03448	3.1
95.01395	9.2
96.96017	19.7
97.02863	1.7
98.95567	2.6
99.00880	13.1
101.02403	4.2
103.00321	1.7
106.94502	1.6
109.02906	6.4
111.00861	2.3
113.02437	43.1
115.00296	2.2
117.01895	3.0
119.03517	1.6
119.04987	2.5
121.02956	10.3
123.00827	5.4
124.01601	6.9
125.02450	35.2
127.04035	1.8
129.01907	2.8
134.03708	2.6
135.04471	1.9
137.02399	3.2
139.00270	2.0
139.03979	3.1
147.04460	3.9
149.01308	3.5
149.02437	63.8
150.03186	10.1
153.01907	13.2
160.01559	2.7
161.09656	2.0
163.03947	2.2
164.00993	2.0
164.03529	2.6
164.04790	45.4
165.05569	13.5
167.03401	2.5
167.07082	3.4
169.01347	4.9
175.02402	2.8
175.03911	3.8
176.01086	2.8
179.03491	4.2
179.07034	4.7
179.10704	3.5
180.04260	1.9
182.02095	1.7
190.02617	4.9
191.03349	4.6
195.06500	4.5
197.04501	4.2
205.04968	7.0
207.05161	1.9
209.04500	3.4
223.04099	2.7
223.06087	36.0
245.01100	5.3
249.03831	2.7
249.06146	38.9
267.07202	100.0
268.07532	3.1
271.04611	1.9
275.02197	2.1
297.06082	3.2
297.09509	3.9
332.82504	1.6
353.06400	1.9
363.62451	1.7
437.05609	2.0
437.10858	24.9
441.10117	2.1
455.11417	2.5
473.12646	91.8
474.12863	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	2.4
58.00575	3.2
59.01376	86.3
61.68222	2.0
61.98831	22.2
69.03466	4.3
71.01377	66.5
71.61800	3.2
72.99281	6.1
73.02924	9.3
75.00856	9.0
79.95731	24.3
81.03432	3.7
83.01393	4.7
84.95102	5.2
85.02944	16.2
87.00857	7.3
89.01924	3.9
89.02440	71.0
93.03470	3.0
95.01392	2.2
96.96007	16.8
97.02956	5.4
99.00848	13.7
101.02444	22.4
106.06607	5.8
107.01344	3.1
111.00849	2.9
113.02451	23.7
115.03989	4.5
119.03484	6.2
119.05022	81.2
120.99640	2.9
123.00878	5.6
123.04470	4.3
125.01668	2.7
125.02460	42.6
131.03468	7.3
135.04459	2.6
135.98370	2.6
137.02364	2.6
137.09616	2.7
141.09189	3.2
143.03496	3.3
149.04555	14.6
150.05540	4.7
151.00305	4.3
161.04524	4.2
167.03423	2.7
169.01367	7.1
179.03491	2.4
179.10789	3.4
191.05527	8.9
195.70229	2.1
203.98857	3.3
221.95503	2.2
233.06647	20.3
239.78445	2.0
243.96867	3.4
246.52644	2.2
249.06088	8.4
267.07010	8.0
293.08768	100.0
294.08948	3.4
321.15375	8.7
344.17212	2.5
413.14294	5.2
429.17410	4.8
440.11252	2.4
473.09964	4.8
473.16434	79.7
474.16473	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	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.88907	0.9
57.03434	4.0
59.01377	24.4
59.87572	1.0
67.01875	1.2
69.03438	2.0
69.27865	1.9
69.28264	7.2
71.01007	1.9
71.01381	28.1
72.99316	5.1
73.02937	2.4
75.00455	1.8
75.00866	20.2
83.01395	1.4
85.02946	29.7
87.00861	11.0
89.02438	8.7
91.04008	1.5
93.03425	1.0
95.01382	7.6
96.96015	1.5
98.19852	1.7
99.00875	12.6
101.02433	3.5
103.00374	3.3
111.00877	1.0
113.02446	39.6
114.02834	1.0
115.00327	2.8
117.01933	4.5
129.01939	1.8
131.03476	1.4
133.10226	2.3
135.11777	6.3
152.07234	1.4
161.09683	4.2
172.12535	1.0
175.02463	4.0
179.10789	14.0
205.07092	1.5
223.09914	1.7
231.05133	2.2
249.06133	28.8
267.07187	100.0
268.07495	3.1
429.17596	37.0
430.17917	3.2
473.16556	63.9
474.17111	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57970	1.7
55.01873	3.7
57.03434	5.4
59.01376	49.2
61.98822	3.6
67.01894	2.5
68.99815	2.8
69.03448	2.3
69.23540	15.5
71.00996	3.0
71.01376	46.3
71.05606	1.5
72.99308	13.5
73.02945	4.4
75.00869	35.1
81.03432	3.2
83.01365	4.2
84.88390	1.3
85.02946	48.7
86.03289	1.5
87.00876	17.1
89.02448	13.0
95.01386	12.0
96.96001	5.7
97.02969	1.8
99.00887	19.9
99.04478	1.8
101.02425	6.4
103.00360	4.2
111.00863	3.3
113.02441	58.9
115.00352	3.8
117.01918	7.2
123.00884	10.1
125.02433	11.0
129.01929	4.0
129.77641	1.5
133.10260	2.1
135.11774	10.0
139.00336	4.1
140.01164	3.4
151.00322	6.5
159.08115	5.2
161.04466	2.6
161.09721	7.9
162.20915	1.6
168.11067	1.9
169.01404	9.6
175.02487	5.7
179.10762	33.1
179.55310	1.4
205.07132	2.4
207.04916	1.5
231.05026	5.3
249.06114	59.5
250.06451	2.5
267.07184	100.0
268.07431	4.1
297.13403	1.8
313.23737	1.5
328.32413	1.6
411.16425	3.3
429.11700	3.4
429.17554	65.2
430.18069	7.6
447.79202	1.5
449.28970	1.4
473.15546	99.5
473.20944	20.3
474.16327	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	473.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	40.2
69.40926	80.4
71.01370	11.8
75.18752	9.9
96.95997	15.6
209.11775	12.1
281.98785	12.0
473.21570	100.0
473.27609	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	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01695	0.5
60.73951	0.5
64.50689	0.5
67.39326	0.4
139.72137	0.5
140.97357	0.6
234.38182	0.5
244.62152	0.5
385.31836	0.6
429.33896	0.7
446.54617	0.5
455.32083	0.9
473.32721	9.7
474.33633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00601	0.9
59.01377	84.0
61.98821	4.7
69.03448	1.6
71.01380	12.3
71.60503	1.3
72.99284	1.7
73.02952	2.4
74.49203	1.0
75.00865	3.8
83.01379	1.4
85.02950	8.4
87.00861	3.1
89.02435	6.5
93.03466	1.7
95.01377	2.0
96.96020	6.4
99.00885	3.4
101.02451	7.5
109.02953	2.3
113.02454	9.3
117.03436	1.6
119.03459	2.8
121.02917	1.2
123.04518	2.1
125.02425	2.5
125.55854	1.0
135.78314	1.0
135.98305	1.3
139.07603	1.1
142.99382	1.1
145.02911	3.9
151.04016	1.9
155.10774	1.1
161.04535	4.0
163.03992	2.6
163.11311	1.2
175.02403	1.2
177.01865	3.6
177.09196	1.8
179.05598	1.1
179.10773	5.4
189.01903	7.2
190.02557	1.1
192.95047	1.4
195.10208	1.2
199.09705	1.6
203.84413	1.3
216.00591	1.4
217.01373	5.4
217.98457	1.0
219.02863	1.6
231.02933	1.5
236.07922	1.5
238.63225	1.2
251.16498	100.0
252.16882	5.6
267.07272	1.5
267.10858	2.8
341.06506	10.5
342.06985	1.5
343.06885	1.4
355.96283	1.2
361.61713	1.8
362.11853	1.6
413.21710	4.5
435.10797	15.2
437.11304	2.3
472.66040	1.2
473.19052	3.8
473.24866	1.7
474.17853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.00583	0.3
59.01378	100.0
60.01717	0.8
61.98832	3.8
68.60167	0.3
69.03440	0.3
71.01374	2.2
71.05035	0.3
73.02950	1.0
75.00882	0.7
83.01396	0.3
83.08257	0.2
85.02963	1.4
87.00897	0.6
88.98794	0.4
89.02443	1.4
96.96008	1.4
97.74692	0.2
99.00900	0.5
101.02417	1.5
101.06094	0.3
103.25291	0.2
113.02427	1.7
119.03525	0.3
125.02421	0.3
135.11781	0.3
135.98274	0.2
161.04567	0.6
179.10701	1.6
184.07750	0.3
192.24199	0.3
249.06262	0.4
267.07339	0.4
267.10956	1.1
270.98996	0.5
298.98431	1.1
312.99927	0.7
314.00781	0.9
328.32266	0.3
329.02991	2.4
329.06412	0.3
371.20908	0.6
384.34067	0.3
392.07874	0.3
413.22025	0.9
422.23657	0.3
473.18091	0.8
473.24521	0.7
473.67078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43559	0.5
57.03447	0.8
58.55444	0.5
59.01374	1.9
60.99306	2.2
61.03874	0.5
66.69266	0.6
66.74467	0.5
71.50723	0.9
95.34951	0.5
97.06618	0.8
99.65587	0.5
103.79123	0.5
112.86662	0.6
132.89551	0.5
162.62759	0.5
182.84654	0.7
184.00311	0.5
201.17523	0.7
206.12666	0.6
319.62921	0.6
386.78873	0.6
409.34756	7.1
411.32391	0.9
423.32944	0.7
427.31967	3.1
439.32565	0.6
443.35278	1.4
455.35349	1.7
457.33215	6.3
473.36401	100.0
474.36697	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	473.3632
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
57.03430	0.4
59.01374	1.8
61.98830	0.6
67.97459	0.4
69.31784	3.9
97.01747	0.5
98.20660	0.9
106.88754	0.4
123.85637	0.4
153.77786	0.4
180.16618	0.4
210.59729	0.4
223.80731	0.4
267.66806	0.4
273.18625	0.9
314.61426	0.4
327.70145	0.5
393.28094	1.3
395.29510	0.4
409.27258	1.4
409.31808	2.6
411.32809	1.6
423.28952	0.7
425.30609	2.7
427.32227	1.3
437.30624	1.9
439.32449	1.3
441.29926	3.9
445.33569	0.8
455.31778	1.5
457.33286	23.2
458.33771	1.6
472.44321	0.4
473.36462	100.0
474.36798	11.6
494.14990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3632
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
53.17564	0.1
54.52534	0.1
57.03430	0.1
59.01361	0.4
60.23500	0.1
61.98833	0.2
69.46941	1.2
78.45249	0.2
86.26838	0.2
102.34863	0.2
112.73462	0.2
135.04506	0.2
138.06761	0.2
160.86501	0.1
184.33473	0.2
191.14435	0.4
205.15927	0.7
207.17513	3.7
208.17838	0.2
219.17564	1.2
221.15538	0.3
235.16974	0.7
237.18594	3.7
238.18959	0.2
265.18121	0.2
379.29919	0.7
381.54709	0.2
391.30240	0.3
393.27591	0.7
409.26599	0.1
409.31232	1.2
411.32535	0.4
423.29028	0.3
424.29379	0.3
427.31873	2.2
429.33441	0.2
439.31946	0.9
441.29968	4.6
442.30307	0.6
443.35138	1.3
455.30768	0.5
455.35483	0.8
455.41406	0.2
457.33191	28.5
458.33551	3.2
473.36368	100.0
474.36725	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	473.3634
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.03445	5.5
59.01380	1.0
59.37551	0.3
61.98816	1.0
69.33900	1.1
69.34322	1.8
71.01388	1.0
122.47682	0.3
139.49902	0.3
175.66440	0.4
217.72479	0.4
256.81729	0.3
367.29724	0.4
395.32996	2.1
455.35144	0.6
471.34729	0.4
473.36331	100.0
474.36710	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	473.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39871	0.3
52.06170	0.3
52.53385	0.2
53.92328	0.2
59.01371	0.6
63.95375	0.3
69.23972	2.0
69.24380	0.5
71.05014	0.5
75.23277	0.2
83.05016	0.8
91.05544	0.3
93.08443	0.2
98.20632	0.6
103.61378	0.3
165.12813	0.4
168.65353	0.3
203.69592	0.3
205.86493	0.3
267.19717	0.4
293.24814	3.5
294.25259	0.4
315.08862	0.3
427.35764	0.4
473.36337	100.0
474.36667	10.8
474.43506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3633
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
59.01362	0.4
65.02509	0.1
69.33479	1.2
84.43842	0.1
89.67558	0.1
122.51051	0.1
276.65585	0.1
301.17941	0.2
301.21262	0.2
362.76218	0.1
393.27914	0.3
409.31290	0.7
411.28729	0.4
413.30518	0.4
423.28949	1.2
425.30420	0.5
427.32089	5.4
428.32492	0.7
429.33688	0.5
439.32166	2.1
440.32736	0.3
441.29971	3.0
442.30463	0.2
443.35263	1.8
444.35556	0.2
450.29495	0.2
455.35730	0.2
457.33179	25.9
458.33536	2.9
473.36346	100.0
474.36697	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48808	0.7
59.01376	4.2
61.98832	2.4
67.68850	0.7
70.31977	1.5
70.32364	1.6
73.70812	0.8
73.91502	0.8
78.95901	46.5
85.02946	0.7
94.92348	0.9
96.96916	0.8
122.00121	1.2
123.88504	0.8
139.66539	0.9
140.01140	6.8
152.99513	5.9
171.00661	4.8
196.03766	13.0
214.04848	3.2
277.21698	100.0
278.22006	7.2
312.99799	1.5
337.21838	1.3
355.03915	0.8
383.21957	0.9
430.33960	3.0
436.18729	0.9
457.33240	1.7
474.26184	52.9
474.33008	12.5
475.05045	1.0
475.26758	6.2
475.34140	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48170	0.3
55.34151	0.2
56.86746	0.2
59.01371	2.0
61.98837	0.5
71.01369	0.3
71.28097	0.3
78.95898	7.6
83.05046	0.2
100.81580	0.3
125.09711	0.3
140.01184	2.1
152.99556	0.8
176.37184	0.3
196.03816	1.4
205.15927	0.5
214.04828	3.7
255.51889	0.3
259.20584	0.8
275.20248	0.4
277.21689	100.0
277.82321	0.3
278.22028	6.4
313.00098	0.3
392.66989	0.3
412.04703	0.3
457.33093	0.5
474.26233	12.8
474.33005	1.9
475.27087	0.6
475.34134	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	475.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.8
88.98795	0.8
89.02428	0.2
95.36292	0.2
98.20678	0.4
113.81867	0.2
129.95065	0.2
132.02158	0.7
144.02142	0.5
156.02173	1.9
157.02910	0.3
159.00856	0.3
160.01628	1.0
169.02815	0.4
172.01610	0.4
173.02399	0.3
176.01102	0.2
176.23674	0.2
184.01642	2.3
185.02440	1.3
187.00316	0.5
188.01068	0.4
200.01108	2.7
201.01843	0.4
201.96005	0.2
212.01120	1.9
213.01921	2.3
214.99832	0.3
216.00674	0.3
226.99808	1.6
228.00610	2.0
229.01358	1.0
229.28845	0.2
230.99336	0.6
240.00615	3.8
241.01349	1.9
243.03188	0.2
254.99358	3.6
255.99995	1.5
257.00757	1.2
268.00186	1.2
269.00934	0.3
281.06650	0.2
282.98822	5.0
283.99597	8.1
285.00378	10.7
286.00690	0.6
310.98297	2.9
311.99091	20.7
312.99854	100.0
314.00208	5.7
374.36859	0.2
460.17645	0.2
475.05118	69.6
476.05499	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	475.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03119	1.0
56.26117	0.8
57.03439	2.0
58.00562	0.9
58.46876	0.7
59.01373	21.0
60.99033	1.0
60.99301	11.0
61.98817	2.4
63.02390	0.8
65.00323	0.9
67.47092	0.8
69.03442	1.0
69.29276	4.0
69.29710	3.9
71.01373	12.9
72.99304	4.3
73.02937	5.7
75.00869	9.6
79.95784	0.8
83.01357	2.2
85.02943	12.9
87.00866	3.9
88.98799	100.0
89.02421	4.6
89.99105	1.0
93.03435	3.4
93.41159	0.8
95.01371	2.2
96.95995	2.7
99.00866	5.5
101.02409	2.5
103.00304	0.9
106.06544	1.0
107.01340	1.5
113.02434	12.6
115.00346	2.0
117.01907	1.6
119.05001	6.0
120.99638	1.0
129.01945	1.7
131.03452	1.0
135.98331	1.3
137.02419	1.4
139.00204	0.8
151.00363	6.5
155.10704	1.2
156.02098	1.4
161.04526	1.8
163.11238	3.1
165.01846	1.0
175.02434	2.0
177.01860	1.3
178.99788	0.8
181.12321	31.1
182.12708	1.2
184.01605	2.5
188.76065	1.1
196.94225	0.9
200.01065	2.6
207.10240	1.0
212.01189	1.0
213.01831	2.3
214.99599	1.0
225.11281	3.8
226.99741	1.7
228.00520	1.4
231.05035	1.2
240.00618	4.0
249.06139	9.9
254.99345	2.2
255.03069	1.7
257.00821	1.1
267.07217	1.1
271.02505	4.1
271.06030	15.2
282.98871	5.0
283.99597	8.1
285.00412	10.3
299.15009	5.6
300.02722	9.8
301.03433	2.3
301.87973	0.9
310.98154	2.5
311.99072	19.0
312.99863	91.7
314.00198	5.2
327.21967	1.0
395.90067	0.9
408.19513	1.0
415.23184	1.2
457.17148	1.2
475.04956	61.8
475.18008	90.3
476.05280	5.1
476.18350	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	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
57.14878	0.6
59.01373	23.0
60.01708	0.8
60.99000	0.8
60.99304	15.0
61.98813	2.9
63.92043	0.7
68.99796	0.9
71.01379	12.0
72.99298	2.1
73.02929	3.6
75.00868	5.3
79.65398	0.6
79.95705	0.7
82.52357	0.6
83.01378	1.1
83.05032	0.6
85.02936	9.4
87.00859	2.6
88.98798	100.0
89.02430	3.7
89.99136	0.9
95.01377	1.8
95.04992	1.2
96.95988	2.5
97.02957	0.7
98.19817	1.2
99.00877	4.4
99.04488	0.9
101.02427	3.0
103.00371	0.9
106.39225	0.7
111.00851	0.8
113.02431	9.5
114.02811	0.8
115.02872	0.8
119.03500	0.7
121.02898	0.7
122.03781	0.6
122.68020	0.7
123.04466	0.7
125.02424	1.3
131.03529	0.7
135.98343	1.0
137.02380	0.9
137.09660	1.1
145.02936	1.4
149.02380	0.8
151.00298	0.9
155.10765	4.2
156.02202	0.7
161.04541	1.7
161.09578	0.9
163.11258	2.2
164.01280	0.7
167.07133	0.8
175.02419	0.8
179.10751	1.6
181.12321	5.1
183.72150	0.6
187.04175	0.6
191.03505	9.5
195.13966	0.6
197.11859	1.6
199.09715	1.6
200.01044	1.5
211.13426	0.8
213.01817	1.4
225.09441	0.6
225.11340	3.6
226.99779	1.4
228.00630	1.3
229.01305	0.7
229.96863	0.7
240.00597	2.6
241.01427	0.7
249.06067	4.7
251.06618	1.1
253.14378	0.9
254.99509	1.2
256.00116	0.7
257.00803	1.1
267.07184	9.6
268.07541	3.6
269.07608	3.8
282.98743	3.5
283.99490	4.1
285.00400	7.8
299.14957	1.1
307.08020	0.8
310.98257	1.8
311.99039	13.7
312.99860	62.7
313.07263	2.1
314.00253	3.8
327.08444	0.7
415.23337	2.2
431.18082	3.2
431.33167	0.7
457.17029	1.1
475.05164	40.6
475.17554	37.4
476.05527	2.7
476.17917	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	475.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
69.89413	3.1
71.01376	12.5
72.99286	3.2
87.00867	1.7
89.02433	2.8
98.20560	1.1
105.01917	2.0
115.00368	44.3
116.00681	1.0
123.76408	0.9
132.02986	2.0
133.01422	100.0
134.01733	1.1
137.37399	1.0
147.59950	0.8
165.04004	4.9
191.05602	7.6
205.11360	0.8
215.49200	0.8
266.54175	0.8
354.36832	0.8
376.75082	0.9
413.40796	0.9
458.23187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99352	0.8
59.01375	40.1
61.98818	1.0
63.96224	1.7
69.59398	5.0
71.01005	1.1
71.01377	14.0
72.99314	2.4
73.02943	1.9
74.99079	1.6
83.01397	1.3
85.02928	3.0
87.00867	1.9
89.02434	14.4
95.01347	1.3
96.95997	2.3
97.02924	1.2
98.20586	1.7
99.00821	1.0
101.02447	8.3
107.01358	1.9
109.02979	1.0
111.00890	1.0
113.02447	5.4
116.49635	0.7
119.03466	3.3
121.02946	50.8
122.03278	1.1
123.00855	4.7
123.04525	0.8
124.01690	1.3
125.02441	20.7
127.73914	0.8
131.03452	2.4
135.98347	5.1
136.98788	1.1
137.02419	1.3
137.14055	0.7
139.00333	1.9
139.03998	1.1
140.01094	2.2
141.01962	1.0
143.03427	1.4
143.07115	0.9
145.02884	1.0
146.03691	1.9
148.30788	0.9
149.04497	1.6
151.00325	2.8
153.01910	0.8
161.04483	1.5
164.04691	1.3
165.01884	0.7
167.03423	1.5
168.00623	9.3
169.01411	32.6
179.05638	1.5
179.07103	4.9
179.10817	1.4
181.23309	0.8
191.05586	1.4
197.61670	0.7
209.02731	1.2
211.02460	41.9
212.02773	1.4
225.11906	0.8
235.13345	1.3
241.05334	2.3
247.81995	0.8
253.14339	1.1
271.04559	63.9
272.04758	2.3
275.98273	0.8
289.07248	1.9
323.13419	16.8
331.06766	5.2
363.58997	0.9
413.14355	3.1
415.12360	14.0
415.19598	15.1
416.19910	1.7
457.13623	0.9
464.48398	0.7
475.14371	100.0
476.14603	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	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
58.00584	0.6
59.01373	15.4
61.98840	2.6
70.15455	0.7
70.15809	2.0
71.01376	8.7
72.99287	0.9
73.02972	0.7
79.48293	0.5
83.01391	0.9
85.02954	1.4
87.00877	1.1
88.98765	0.6
89.02441	9.4
101.02442	6.1
107.01399	3.8
111.00851	2.1
113.02439	3.2
119.03493	3.9
119.60694	0.5
121.02932	0.9
123.00883	2.6
124.01627	3.1
125.02442	24.4
127.00382	0.7
136.98796	1.8
137.02412	0.8
139.00369	3.3
139.03960	0.9
140.01158	3.1
151.00352	1.9
161.08138	1.0
162.38564	0.5
165.01907	1.2
167.03493	2.4
168.00633	16.0
169.01414	39.7
170.01755	0.8
170.75237	0.6
183.03090	0.8
211.02470	65.4
212.02919	2.5
229.22444	0.6
239.57016	0.5
241.03560	1.5
271.04568	59.8
272.04919	2.1
281.14709	0.5
297.38770	0.5
323.13440	21.5
324.13852	1.0
331.06607	2.9
343.13416	0.6
348.23923	0.6
376.03729	0.6
381.77881	0.6
429.13809	0.6
430.21286	0.5
475.14505	100.0
476.14920	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	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11330	1.4
55.01876	3.5
55.95045	1.4
57.03447	4.0
59.01381	50.4
69.24568	11.6
69.24973	3.1
71.01384	37.5
72.99337	1.4
73.02940	13.6
76.36952	1.4
83.01396	10.9
85.02954	15.9
87.00889	2.7
88.98797	5.1
89.02449	6.7
97.02961	2.2
99.00881	5.2
101.02437	34.2
103.04018	3.4
113.02446	14.3
116.92815	1.8
119.03511	2.2
120.74680	1.5
123.04508	5.0
125.02442	5.4
138.41628	1.4
143.03503	1.6
145.08728	3.6
159.02985	4.3
161.04564	19.8
163.06155	2.5
167.03465	9.5
169.01450	2.0
191.03537	3.5
211.02370	4.3
269.10287	53.2
271.04639	2.3
307.10123	2.2
353.62296	1.4
415.16052	100.0
416.16370	5.6
438.40012	1.4
475.14560	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00578	1.3
58.43707	0.7
59.01376	100.0
61.98818	2.6
66.49823	0.7
69.47963	6.4
70.99594	1.4
71.01379	44.1
72.99305	3.0
73.02935	5.0
79.85583	0.7
83.01365	2.6
85.02939	7.5
86.03297	0.8
87.00871	3.5
89.02441	67.8
91.36540	0.7
93.56574	0.8
95.01391	1.2
96.95995	2.1
98.20606	1.8
99.00860	2.3
101.02441	28.1
113.01720	1.0
113.02456	12.9
119.03493	12.2
120.99641	2.2
125.02426	2.6
129.01935	0.9
131.03496	51.7
132.03798	0.9
138.03218	4.4
143.03494	3.5
149.04547	45.7
150.04855	1.1
151.03926	1.0
153.05580	12.5
154.05881	0.9
161.02374	2.5
161.04518	3.5
169.01372	2.4
173.04617	1.0
176.04814	6.2
177.01933	1.4
177.79306	0.7
179.05592	13.7
188.62318	0.8
191.05573	28.7
191.07138	6.9
194.00389	1.3
209.02815	1.6
211.02461	1.5
221.06544	2.9
225.03761	1.4
225.05888	19.3
238.18021	0.8
251.07693	4.0
269.98105	1.3
271.04529	2.3
283.11847	2.9
293.57501	0.9
311.09760	2.5
313.07523	2.9
363.08670	0.9
387.11237	3.7
415.15549	5.6
415.20721	0.9
475.13187	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	475.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27620	1.4
58.00591	1.3
59.01377	42.1
60.99310	13.7
61.32784	1.2
61.98816	3.2
63.90235	1.2
69.53745	9.3
69.54079	1.9
71.01376	25.7
72.99292	2.2
73.02941	5.7
78.33619	1.2
85.02953	5.8
87.00871	4.7
88.98801	100.0
89.02441	27.6
96.96011	2.2
99.00863	1.8
101.02443	15.9
107.05092	1.2
107.71530	1.4
109.02925	1.7
113.02430	9.3
114.70760	1.3
119.03506	5.9
120.99604	1.9
121.02973	1.5
124.89613	1.3
125.02408	7.9
131.03497	9.4
133.02956	2.5
140.01172	1.2
149.02542	6.4
149.04539	21.6
150.03206	1.9
153.05592	2.8
161.04514	4.0
167.03510	1.8
168.00574	2.9
169.01405	9.8
176.04753	1.5
179.05577	2.0
181.08731	1.8
191.05594	5.1
191.07187	2.5
211.02469	15.8
225.05833	4.6
271.04550	14.4
273.01331	1.3
273.12811	1.3
283.11835	5.4
307.10291	1.4
314.11841	1.5
323.13541	2.2
415.15866	11.1
475.14053	26.0
475.21008	7.2
476.14578	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03456	3.0
58.00581	0.7
59.01377	72.8
60.01733	1.4
60.99322	2.0
61.98812	5.6
68.51007	0.7
69.03481	1.3
69.28617	2.0
69.29041	3.9
71.01376	16.4
72.99310	2.8
73.02950	8.0
75.00864	5.6
81.03486	0.7
83.01410	1.1
83.05037	0.8
85.02937	9.8
87.00867	4.3
87.04512	3.5
88.98803	13.1
89.02441	7.0
95.01402	2.3
96.96037	2.8
97.02987	1.4
99.00875	4.9
99.04528	2.0
101.02428	7.7
103.03976	0.8
107.01431	0.7
111.00842	0.9
113.02434	9.6
114.02799	1.0
117.01982	0.8
119.03528	1.8
119.04999	1.4
121.02995	1.0
125.02477	1.8
127.03912	0.8
129.01933	1.1
131.03482	3.8
132.02170	0.9
135.08176	1.1
135.74979	0.6
135.98412	0.9
137.09726	4.3
139.04034	1.0
139.07643	1.0
143.03482	1.2
144.82275	0.6
147.04521	0.9
151.00357	1.7
151.11179	0.7
155.10768	33.4
156.02193	1.5
156.11118	1.3
159.02982	0.6
161.02565	0.8
161.04558	2.4
161.05994	1.0
163.11288	1.5
169.12491	0.6
172.01566	0.8
172.47583	0.7
175.02498	1.2
179.05579	0.9
179.10783	1.5
181.08685	1.6
181.12334	12.6
182.12621	0.8
184.01692	1.5
189.05644	0.7
199.09750	11.5
200.01147	2.5
202.60742	0.7
212.01205	1.5
213.01920	2.7
213.11378	0.9
225.11319	3.8
226.99872	2.1
228.00630	1.8
229.01329	1.6
240.00629	4.1
241.01355	2.5
241.10822	2.9
243.02902	0.8
249.06129	5.0
250.06480	1.2
251.06653	0.9
254.99373	3.5
255.03137	0.8
256.00296	1.1
257.00815	0.7
262.89435	0.6
267.07187	2.8
268.00165	1.3
268.07455	2.0
269.07803	2.1
271.02475	2.1
271.06113	3.8
282.98810	4.9
283.11816	1.0
283.99597	7.4
285.00397	11.1
299.14923	1.5
300.02774	4.4
301.03421	0.7
310.98358	3.0
311.99115	19.0
312.99869	100.0
314.00186	5.8
325.63580	0.7
331.17697	1.0
336.85080	0.7
389.21625	3.6
413.18176	2.1
415.23395	1.6
431.18134	2.5
431.22910	2.1
457.17154	1.0
475.05060	61.0
475.18005	86.0
476.05502	6.7
476.18146	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01535	0.6
55.01847	0.9
57.03431	3.0
58.87615	0.7
59.01376	63.1
60.99289	1.4
61.98827	5.7
62.62617	0.7
69.03438	0.8
71.01378	16.6
71.60730	1.0
71.85360	0.6
72.99295	2.3
73.02946	11.2
75.00869	3.9
83.01364	2.4
85.02947	8.3
87.00853	3.1
87.04507	4.8
88.98358	0.7
88.98811	10.3
89.02445	6.0
95.01347	1.6
95.04998	0.7
96.95985	3.1
97.02956	0.7
98.10603	0.6
99.00859	2.8
99.04498	1.8
101.02444	8.4
103.03973	1.3
107.01358	1.1
109.06540	0.8
113.02460	7.4
117.03453	0.7
118.59370	0.7
119.03476	1.4
119.05002	1.7
123.04527	0.9
123.08099	1.0
125.02422	1.5
131.03470	4.1
135.08115	2.3
135.98412	0.8
137.02434	0.9
137.06116	0.8
137.09718	12.3
139.07545	0.8
145.02824	1.0
151.00340	1.9
151.11359	0.8
153.11086	0.7
155.10770	60.0
156.02126	1.4
156.11052	1.9
161.04532	2.3
162.75691	0.7
169.12285	1.4
179.05638	0.7
179.10780	1.6
181.08662	2.1
181.12349	4.9
184.01662	1.3
185.02415	1.5
191.10826	0.9
199.07973	1.4
199.09741	21.3
200.01140	2.3
200.09987	0.8
201.01872	1.1
213.01964	2.4
213.11285	1.2
225.11293	2.6
226.99779	1.3
228.00575	2.6
229.01358	1.4
240.00560	2.5
241.01439	1.8
241.10863	4.5
249.06171	3.0
251.06641	0.8
254.99275	3.1
267.07199	1.7
268.00015	1.2
269.07681	1.7
271.03006	1.0
271.06073	3.9
282.98792	4.1
283.11801	1.9
283.99527	7.5
285.00369	10.6
299.15048	0.8
299.33633	0.8
300.02722	1.8
310.98303	2.9
311.99106	18.5
312.99872	94.5
314.00195	4.5
384.30676	0.9
389.21808	3.5
415.23260	1.8
417.17764	0.9
431.17853	1.7
431.22974	2.0
475.05173	65.0
475.18063	100.0
476.05298	5.3
476.12473	1.1
476.18433	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	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.4
57.50492	0.4
59.01104	0.7
59.01378	8.0
61.98812	0.9
69.03442	0.5
71.01372	3.1
71.02509	1.1
71.60153	0.6
72.00914	2.5
73.02921	0.7
74.02467	3.2
75.00869	0.5
77.88995	0.5
85.02946	1.8
86.65024	0.5
87.00866	0.6
88.98802	1.2
89.02441	1.5
93.03483	0.9
95.01353	0.7
96.95988	1.2
101.02428	1.8
103.95531	0.4
107.05038	2.3
113.02467	1.3
119.04977	1.2
121.02956	0.9
121.06576	0.8
125.02435	0.9
129.10339	7.7
130.08727	0.7
132.05811	1.7
133.02939	1.7
133.06598	8.0
134.03773	1.3
134.06091	1.1
135.04514	0.7
135.98303	0.7
137.02440	0.6
139.08763	1.4
140.07185	2.5
145.02957	0.7
147.06764	0.5
148.07698	2.4
149.02422	4.3
149.06029	0.7
150.03194	1.0
150.09247	1.1
151.07597	0.5
151.08798	1.4
155.08249	4.9
160.01575	0.5
160.07681	2.8
161.02414	1.1
161.04477	1.0
164.04756	1.2
169.01419	1.1
169.09805	0.6
175.03966	0.7
175.06429	0.5
177.05534	0.7
179.08217	4.3
188.07155	2.0
192.09027	4.7
193.04996	0.8
193.09676	0.6
194.08174	2.2
197.16574	0.9
199.96735	0.5
205.09821	7.8
205.11607	1.0
207.15036	0.5
221.09299	3.2
221.11462	0.7
222.12584	0.8
224.08026	4.8
224.17699	1.1
225.15921	1.2
242.18710	8.7
249.08759	5.0
263.17554	3.2
266.11432	38.2
267.11722	1.8
272.05209	0.5
275.17569	0.6
281.19821	0.8
300.02631	0.6
317.05130	0.5
324.58148	0.5
329.13824	1.1
344.16196	0.5
370.25342	0.6
376.25729	2.4
388.26151	0.7
414.23877	1.0
415.23730	0.7
431.26630	5.3
439.16080	0.8
458.22980	1.9
475.19550	7.6
475.25583	100.0
476.19998	0.7
476.25961	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	475.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
58.63274	0.3
59.01367	1.0
75.59245	0.3
76.93590	0.3
96.96002	0.5
102.00467	0.4
207.17645	0.5
208.17928	0.5
217.16158	0.4
229.10545	0.4
229.54739	0.4
312.99835	0.5
367.30255	0.9
381.27856	0.7
383.29556	6.7
384.29901	0.6
385.31079	12.4
386.31522	1.2
387.32645	1.9
405.33728	0.7
409.31033	0.6
425.34219	2.2
427.36124	3.5
429.33713	8.9
429.39069	0.6
430.34180	1.0
431.31693	1.0
445.30716	0.6
445.36865	12.7
446.37299	1.3
459.34103	0.7
471.34799	1.1
475.37943	100.0
476.38315	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	475.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01374	0.4
68.73918	0.2
69.38534	0.2
70.66266	0.5
70.66606	0.2
76.59651	0.2
108.08325	0.3
108.54854	0.3
123.08141	0.6
138.34581	0.3
141.83736	0.2
312.99893	0.3
371.32785	0.3
393.63776	0.3
399.32953	0.3
411.36557	0.3
413.34161	2.5
415.35760	3.0
416.36157	0.4
457.33096	0.3
459.34622	0.4
475.37903	100.0
476.38190	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	475.3787
Annotation	Taiwaniasterol B
Peak:m/z	Relative Intensity
52.14256	0.3
56.36530	0.3
57.03445	8.6
58.86673	0.3
59.01366	0.9
71.59443	0.4
78.95886	0.5
85.02922	0.4
96.95992	0.3
112.89630	0.3
137.09679	0.8
191.14417	3.2
193.15927	0.7
203.14426	3.0
221.13551	0.5
221.15459	6.4
222.15845	0.4
228.58730	0.3
271.45392	0.3
289.07993	0.3
311.99234	0.4
312.99832	1.1
371.33035	0.7
391.29581	0.3
413.34247	0.8
415.35742	1.8
431.35150	1.4
439.32184	2.5
457.33096	2.9
475.38434	100.0
476.38770	10.6
476.48578	0.5
501.91940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.379
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
57.03445	10.8
59.01382	1.2
61.98830	0.7
71.06929	0.4
73.02930	0.5
76.05224	0.3
89.77887	0.2
148.90182	0.3
188.15504	0.3
312.99811	0.7
371.33167	1.6
397.31430	0.3
413.34668	0.7
415.36014	1.7
457.33548	0.6
475.05148	0.7
475.38058	100.0
476.38370	11.8
493.38849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36902	0.4
55.01881	0.8
57.03430	0.5
59.01375	6.4
61.37743	0.4
61.98823	2.2
68.16362	0.4
68.99791	0.4
69.33492	0.8
69.33898	2.5
71.01371	9.2
73.02951	2.4
80.10746	0.3
83.01389	1.7
85.02958	3.0
87.00887	0.6
89.02440	1.3
90.98599	0.7
92.49899	0.3
93.03455	17.9
95.01390	1.2
96.95990	0.9
96.99315	0.6
99.00886	0.9
101.02435	6.6
107.03735	0.8
108.04550	78.2
109.04913	2.0
113.02451	3.5
116.02910	0.4
121.02924	0.7
123.04544	0.5
125.02441	0.6
136.01672	1.3
137.02437	46.0
138.02768	1.3
145.02948	0.8
147.04538	0.7
150.05592	33.3
151.04025	0.7
151.05891	1.1
151.79161	0.4
152.07169	0.7
155.10774	1.6
161.04565	0.5
199.09802	0.5
221.04623	0.6
266.11496	1.0
267.11783	0.6
271.02332	0.6
281.06641	100.0
282.06973	4.5
294.95200	0.4
298.98578	0.7
299.01834	1.1
299.99091	1.3
314.00806	0.6
315.01340	1.1
322.10483	0.4
403.16299	0.6
413.16736	0.4
432.12885	5.3
433.12875	0.5
440.20486	0.5
475.25537	1.1
476.11322	0.7
476.19788	0.9
476.25864	2.2
477.06635	1.2
477.19843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.89851	0.2
59.01368	0.5
61.98823	0.4
71.27932	0.2
71.28255	0.3
78.95898	5.3
84.84005	0.2
122.00159	0.2
140.00439	0.2
140.01205	1.8
152.99576	0.8
196.03737	1.1
214.04861	2.7
221.15308	0.2
232.14136	0.2
239.16563	1.0
240.16838	0.7
261.22083	0.3
279.23264	100.0
280.23618	6.1
314.00491	0.2
414.34601	0.5
432.35339	0.2
446.33603	0.4
458.33856	0.2
475.34375	0.6
476.27768	11.7
476.34644	4.7
477.28140	1.0
477.35626	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.8
61.98814	1.0
71.59677	0.4
72.13982	0.3
78.95899	30.3
96.95947	0.4
96.96945	1.0
98.74422	0.3
113.30444	0.3
122.00119	0.8
140.01176	5.5
152.99580	3.9
166.02873	0.4
171.00630	2.2
196.03778	10.5
204.43488	0.3
214.04834	2.5
221.15263	0.4
261.22101	0.4
279.23248	100.0
280.23621	6.0
458.33734	0.7
476.27792	40.9
477.28156	3.1
477.35562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.0
61.98820	1.7
62.56169	0.6
69.34366	4.1
69.34792	1.7
78.95898	100.0
96.96951	7.5
112.18130	0.6
121.85078	0.7
122.05270	0.6
149.44606	0.6
152.99585	17.8
153.99823	0.6
171.00624	18.6
232.59421	0.8
351.86380	0.6
402.24081	2.1
437.38373	0.6
458.33569	2.0
458.92236	0.7
475.37845	1.7
476.27817	63.6
476.34451	4.9
477.07050	0.8
477.28281	4.2
477.35968	2.0
486.19760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44042	0.5
52.86721	0.7
57.41252	0.6
57.74596	0.5
60.69661	0.6
67.44126	0.7
69.39891	0.6
71.04302	1.0
75.55331	0.5
77.65300	0.5
86.23251	0.6
118.50317	0.7
193.59879	0.6
200.01033	0.7
209.01602	0.6
216.00500	0.7
235.58694	0.6
242.99278	1.9
244.00082	0.8
244.80196	0.7
270.98807	22.6
271.99243	2.1
298.93076	0.7
298.98297	26.4
299.99069	100.0
300.99448	6.0
312.99924	1.5
314.00653	17.9
315.01434	78.0
316.01688	5.0
355.36478	0.6
477.06696	89.2
478.07059	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46967	0.4
53.25038	0.4
57.03451	0.5
59.01372	5.5
61.98830	4.9
68.62210	0.4
71.01389	2.7
71.61468	0.7
72.99322	0.8
73.02962	1.2
75.00873	0.4
79.95753	0.6
83.01432	0.5
85.02972	0.5
87.00849	0.6
88.98808	2.8
89.02468	1.6
90.86170	0.4
95.01378	0.5
96.96036	1.7
98.88937	0.4
99.00913	0.5
101.02444	2.1
107.01373	0.6
113.02433	1.0
119.04998	2.3
123.00859	0.6
123.04564	0.6
125.02454	2.1
131.03464	0.5
141.85335	0.4
145.08725	1.7
161.04579	1.2
163.04028	1.2
167.03516	0.9
168.03882	0.6
169.01439	3.6
214.99963	0.6
242.02063	0.6
242.99344	2.2
258.01608	4.2
269.10422	0.7
270.10568	0.4
270.98816	35.8
271.99203	1.8
283.99594	5.1
285.00391	11.0
286.01151	7.5
287.01706	0.5
297.00311	2.4
298.98303	59.1
299.98926	6.5
300.99750	1.4
312.99872	17.4
313.05756	1.4
314.00656	56.3
315.01010	4.5
403.61475	0.5
416.16391	1.6
417.16467	1.7
472.70770	0.5
477.06628	100.0
478.06976	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	477.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31314	0.7
52.28173	0.6
55.01870	2.7
57.03436	1.9
58.00584	0.9
59.01376	28.3
60.51860	0.7
61.98832	3.0
65.82011	0.9
69.03452	1.0
69.24183	5.8
69.24590	1.2
71.01378	46.3
72.99294	3.3
73.02943	16.8
74.02451	1.1
75.00859	1.4
79.95718	1.8
81.03484	0.9
83.01382	9.3
85.02947	21.7
87.00876	2.5
88.98818	0.7
89.02443	10.1
95.01360	4.0
96.96010	2.5
97.02969	1.9
99.00867	7.3
101.02440	32.1
102.98573	1.0
103.04020	2.4
109.02974	0.7
111.00847	0.8
111.28225	0.7
113.02448	18.0
115.03970	1.0
117.03468	4.1
119.03488	2.2
119.05020	2.7
124.01602	0.7
125.02455	7.9
129.10350	1.8
131.03500	0.9
133.05089	0.7
133.06560	1.2
134.06067	0.7
137.02443	1.7
139.00366	1.5
140.07237	0.9
143.03467	2.7
145.02957	15.5
145.05054	0.9
149.04561	0.8
149.99634	1.7
151.00352	4.1
153.01929	7.0
154.02724	1.7
155.05185	0.8
155.10783	2.9
159.02985	3.4
159.04280	0.9
161.04550	29.1
163.04034	2.6
163.06116	2.4
168.00604	2.6
168.04329	1.7
169.01355	2.6
169.05057	1.1
175.04001	1.3
187.04051	0.9
199.04018	5.0
199.09785	2.4
201.01935	2.0
215.03506	3.7
227.03410	4.3
242.02208	8.3
243.02957	37.9
243.19028	1.6
244.03549	1.1
247.08159	0.9
257.04562	10.0
266.11472	3.6
266.69907	0.8
267.11658	4.3
268.11899	1.3
270.01682	10.2
270.99265	2.3
271.02451	43.8
272.02884	2.3
285.04010	20.7
285.07095	1.4
286.04709	7.2
298.98389	3.1
299.01883	19.6
299.99084	10.5
300.02661	6.2
307.08044	4.2
314.00735	3.0
314.04282	50.0
315.01385	7.1
315.05026	10.9
315.12347	2.4
331.06717	1.2
331.17593	35.4
332.17990	1.3
357.06107	1.6
476.25955	10.9
477.10388	100.0
477.23312	33.8
478.10861	8.7
478.24133	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44858	0.6
55.01868	0.8
57.03452	1.3
59.01100	1.1
59.01378	12.9
60.99319	1.0
61.98827	4.3
69.03448	1.0
69.53643	1.1
69.54058	3.6
71.01379	12.1
72.99290	1.6
73.02947	4.7
79.95764	1.3
83.01396	3.0
85.02950	6.8
87.00893	1.5
88.98787	3.3
89.02453	4.0
89.02947	0.7
90.98610	2.3
93.03458	2.9
95.01347	0.9
96.96012	2.2
99.00877	2.3
101.02433	8.8
101.75849	0.7
107.01408	1.7
109.02953	1.2
113.02451	5.1
117.03519	1.4
119.03530	1.4
119.05033	1.3
125.02464	2.8
133.02953	1.6
136.01686	1.1
137.02454	4.0
138.03232	0.7
143.36978	0.7
145.02927	6.9
145.03796	0.6
149.02457	1.9
150.02827	1.2
151.00401	3.2
151.03995	0.8
153.01965	2.9
155.10782	1.8
159.02994	1.2
161.02464	1.4
161.04536	6.2
162.03246	2.4
163.04031	1.9
163.06184	0.9
168.04341	0.9
169.01515	1.0
175.03973	0.9
177.05635	2.6
179.03476	3.5
181.12352	0.8
187.04057	0.8
197.11839	1.1
199.04030	3.2
199.09775	1.0
201.01949	0.9
203.03554	1.0
203.39696	0.7
209.04601	0.9
213.11316	0.9
215.03534	4.2
226.02805	1.1
227.03543	3.4
239.05524	3.4
242.02206	8.2
243.02950	39.4
244.03342	1.6
255.02966	1.5
257.04565	10.8
258.04962	0.9
270.01660	9.7
270.99088	3.4
271.02454	51.7
272.02982	2.8
273.04324	0.8
280.20554	0.7
285.04037	21.9
286.04791	6.8
289.07126	0.7
298.98450	3.5
299.01901	26.1
299.99179	12.7
300.02798	12.2
300.99570	1.6
307.08228	1.3
313.03561	0.7
314.00775	4.4
314.04269	49.3
315.01498	11.2
315.05164	22.8
316.05472	1.0
331.17557	6.1
357.06290	1.1
415.12451	0.9
462.08160	2.7
477.10532	100.0
477.23535	8.0
478.10791	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
61.98805	1.9
63.02397	0.7
65.00313	1.4
70.39833	2.3
70.40180	1.3
71.01357	1.2
81.03433	1.5
83.01398	0.9
87.00869	0.8
91.01884	1.8
93.03453	1.3
95.01386	1.0
96.95999	1.4
108.02164	1.4
108.88931	0.7
109.02934	6.6
113.02367	0.9
119.01363	3.2
119.68533	0.7
123.17705	0.7
124.01652	1.0
137.02435	34.5
139.00368	1.4
145.02890	0.9
147.00882	7.8
151.00333	0.9
155.03490	1.9
163.00389	6.2
164.01178	4.3
165.01912	40.9
165.05496	1.2
173.02420	1.0
174.03191	0.8
175.00334	7.0
176.01086	1.6
178.99826	6.8
180.00584	1.8
190.02534	0.8
201.01852	1.4
202.02719	4.6
202.99849	28.5
204.00461	1.3
206.99352	3.7
207.98540	0.9
208.00093	42.6
209.00885	69.0
210.01196	1.5
210.45265	0.8
229.01363	1.0
230.02147	2.6
245.00858	1.6
246.98801	100.0
247.99219	4.7
270.98828	1.3
273.00385	0.9
274.01154	1.0
297.07574	0.9
298.98312	1.2
299.99103	3.3
314.00592	1.0
315.01443	2.8
329.10577	0.9
357.09509	1.8
373.09119	1.3
397.22394	0.8
401.08670	11.9
402.09033	0.9
412.13049	0.9
433.11307	8.2
434.11710	1.1
469.16196	0.8
477.06696	3.4
477.27747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	3.9
66.53269	1.3
69.03465	3.1
69.63833	8.9
71.01379	58.1
72.99317	4.3
73.02941	9.8
74.39962	1.3
75.00869	2.0
79.95724	2.1
80.10682	1.4
81.03451	3.3
83.01394	4.6
83.84186	1.5
85.02941	10.9
87.00881	1.9
88.98775	2.2
89.02441	55.0
94.65038	1.6
95.01410	4.1
96.96001	38.1
97.02954	7.8
99.00863	9.7
101.02450	21.1
101.20879	1.7
108.02175	14.0
113.02424	12.4
115.04013	4.2
118.98125	1.8
119.03474	3.5
121.02953	7.0
123.00925	2.8
123.04505	3.5
124.05948	1.4
125.02438	29.4
126.02820	1.7
130.84860	1.6
131.03470	7.3
131.07159	3.8
133.05125	2.4
137.19243	1.4
137.97935	2.8
138.05643	2.2
143.03479	2.2
149.04549	11.7
153.01901	3.9
159.03027	1.6
161.04558	14.6
162.05672	1.8
166.06343	42.9
168.04239	2.7
169.01425	7.8
170.01749	1.9
179.07121	2.0
181.08691	58.4
191.05634	5.6
198.50241	1.7
200.42018	1.4
211.02484	2.0
233.06638	14.5
235.08257	9.7
293.08774	54.7
294.09406	1.8
312.99530	1.5
313.05737	1.6
343.13950	20.6
344.14157	2.0
387.12314	2.3
399.07629	1.4
415.12448	12.6
417.13141	10.3
417.18542	2.6
439.09186	1.9
477.11655	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	477.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33699	1.0
55.01898	1.3
57.03447	1.4
58.00590	3.1
59.01376	100.0
61.79682	0.9
61.98829	5.2
69.03445	3.7
70.60026	2.7
71.01377	80.8
72.99297	3.4
73.02942	8.4
75.00861	1.1
81.03437	2.3
83.01375	4.4
85.02946	15.1
87.00885	4.1
89.02441	81.8
93.03458	3.1
95.01392	3.8
96.96014	5.0
97.02933	9.1
99.00887	3.9
99.90640	1.0
101.02439	21.9
107.01379	1.8
108.02174	16.2
109.02963	1.1
111.00871	1.6
113.02444	17.7
119.03485	5.0
120.99644	2.7
123.00893	8.3
123.04523	4.1
124.01673	1.7
125.02443	45.9
131.03500	19.0
137.02446	9.5
139.00375	3.2
139.03992	2.0
141.01881	1.4
143.03494	3.7
149.04549	23.4
151.00388	6.6
151.04054	1.5
153.05565	2.5
159.03061	2.0
161.04556	13.7
168.00639	2.2
169.01427	11.8
175.02437	1.3
179.03508	3.3
191.05627	1.3
194.05844	3.4
195.06555	1.1
209.08174	9.4
211.02498	2.2
233.06590	3.5
237.11446	1.2
239.05588	3.0
285.09860	3.0
293.08755	55.2
294.09216	2.3
313.05551	1.9
369.11868	2.5
399.20056	2.3
415.12408	75.0
417.14056	2.3
417.21408	2.4
477.09476	5.9
477.15439	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	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	3.9
66.53269	1.3
69.03465	3.1
69.63833	8.9
71.01379	58.1
72.99317	4.3
73.02941	9.8
74.39962	1.3
75.00869	2.0
79.95724	2.1
80.10682	1.4
81.03451	3.3
83.01394	4.6
83.84186	1.5
85.02941	10.9
87.00881	1.9
88.98775	2.2
89.02441	55.0
94.65038	1.6
95.01410	4.1
96.96001	38.1
97.02954	7.8
99.00863	9.7
101.02450	21.1
101.20879	1.7
108.02175	14.0
113.02424	12.4
115.04013	4.2
118.98125	1.8
119.03474	3.5
121.02953	7.0
123.00925	2.8
123.04505	3.5
124.05948	1.4
125.02438	29.4
126.02820	1.7
130.84860	1.6
131.03470	7.3
131.07159	3.8
133.05125	2.4
137.19243	1.4
137.97935	2.8
138.05643	2.2
143.03479	2.2
149.04549	11.7
153.01901	3.9
159.03027	1.6
161.04558	14.6
162.05672	1.8
166.06343	42.9
168.04239	2.7
169.01425	7.8
170.01749	1.9
179.07121	2.0
181.08691	58.4
191.05634	5.6
198.50241	1.7
200.42018	1.4
211.02484	2.0
233.06638	14.5
235.08257	9.7
293.08774	54.7
294.09406	1.8
312.99530	1.5
313.05737	1.6
343.13950	20.6
344.14157	2.0
387.12314	2.3
399.07629	1.4
415.12448	12.6
417.13141	10.3
417.18542	2.6
439.09186	1.9
477.11655	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	477.1972
Annotation	Rhodamine 6G
Peak:m/z	Relative Intensity
57.03440	1.2
58.00589	1.4
59.01376	9.9
61.98826	1.7
62.36689	0.4
63.57180	0.5
71.01373	6.1
72.99321	0.8
73.02934	4.2
75.00866	0.6
76.04900	0.4
77.59911	0.4
79.95742	0.5
83.01378	0.5
85.02952	2.3
87.00874	0.6
87.04502	7.4
89.02441	1.7
90.10036	0.5
96.95989	1.4
97.02921	0.7
101.02435	6.3
101.06089	0.5
103.32894	0.4
109.02939	0.6
113.02458	1.5
115.04000	0.5
125.02412	0.5
133.05042	3.6
135.08142	1.6
137.09712	18.1
139.11282	1.4
151.11275	1.0
155.10767	100.0
156.11118	2.6
160.01628	0.7
161.04546	0.7
169.12328	4.9
175.03984	1.0
181.08669	4.4
190.66496	0.5
196.00641	0.5
197.11821	0.8
199.09735	56.2
200.10097	1.7
213.09435	0.7
213.11316	5.7
225.43594	0.5
230.18491	0.6
241.10793	22.7
242.11116	1.1
255.02959	1.7
255.15868	0.7
271.02417	3.8
271.11957	1.8
299.99066	1.9
300.02731	7.4
301.12817	6.8
312.99710	1.4
314.00177	1.7
315.01041	3.4
315.05103	8.6
315.08414	0.8
345.19177	0.9
361.14899	4.1
477.05737	5.1
477.19699	97.2
478.20078	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	477.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62803	0.6
59.01375	81.9
61.98824	2.2
69.61128	0.7
69.80354	3.1
69.80775	1.1
71.01375	14.2
73.02930	4.6
75.00855	0.9
83.01356	1.5
85.02940	5.5
87.00847	1.3
89.02438	7.1
96.95997	2.3
97.02969	0.8
98.19972	1.2
99.00868	1.6
101.02439	7.7
105.75227	0.7
113.02465	5.1
115.03992	1.0
119.03513	1.5
121.02943	11.9
125.02433	3.2
131.03448	0.8
133.05067	4.6
135.04507	1.7
137.84866	0.6
137.99544	0.7
142.46446	0.6
143.03413	1.1
147.94022	0.6
153.01900	1.1
157.05061	0.9
159.02910	1.1
161.04539	19.6
166.06337	77.7
167.06674	3.0
168.04315	1.0
169.01376	1.1
181.08687	100.0
182.09058	3.2
188.74454	0.7
233.06700	1.6
235.08211	12.1
293.08783	1.6
357.66125	0.6
402.06702	0.7
417.17584	13.8
418.18134	1.1
424.93130	0.6
439.08633	1.1
441.10220	0.7
498.42923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42455	0.9
55.01877	1.9
59.01377	100.0
60.01693	1.2
61.98829	2.8
69.03444	2.5
70.93477	1.6
70.93796	1.5
71.01379	28.8
72.99313	1.3
73.02953	6.5
75.46105	1.0
81.03460	1.3
83.01384	3.4
85.02937	6.8
85.73872	0.9
87.00859	1.6
89.01920	1.7
89.02441	21.0
95.01383	1.3
96.96017	3.6
97.02934	3.3
99.00874	4.2
101.02442	14.0
108.02178	4.1
112.48430	1.0
113.02448	8.5
115.04010	1.3
119.03519	1.4
121.02958	10.0
125.02443	10.5
131.03484	2.8
133.05069	3.9
143.03436	1.8
149.04538	4.2
153.01869	1.5
159.02934	1.1
161.04546	17.6
166.06345	73.0
166.41647	1.1
167.06662	3.1
168.04239	1.6
169.01498	1.5
181.08696	91.4
182.09039	3.0
191.05563	3.4
233.06696	6.8
235.08266	12.1
273.16217	1.0
293.08743	20.1
343.13928	16.3
417.17792	15.0
427.35767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80732	0.6
55.40933	0.6
56.93744	0.7
59.01105	1.0
59.01383	16.7
60.99305	11.8
61.98832	6.8
71.01386	5.1
71.59158	0.9
72.99308	1.7
73.02947	1.4
75.00883	1.1
75.57373	0.7
79.95737	2.4
85.02966	3.3
86.99090	5.3
87.00875	2.5
88.98804	100.0
89.02442	9.3
95.01374	1.1
96.00931	0.8
96.96001	5.8
101.02431	3.5
113.02439	3.1
119.03488	1.9
119.05007	2.4
123.00855	0.9
123.04510	1.1
125.02408	3.0
125.45869	0.6
131.03441	1.0
140.07118	0.9
143.03546	0.7
149.02460	0.7
151.00343	0.9
151.17268	0.7
153.05525	1.7
161.02432	1.0
161.04541	2.3
163.03938	1.0
169.01320	2.1
175.11218	1.1
191.03467	0.9
201.13246	0.9
219.10197	1.1
227.07318	1.1
235.07930	0.8
237.14844	2.7
241.09695	0.7
242.99219	1.0
243.96707	1.6
249.05936	1.6
252.07251	0.7
255.12350	3.3
255.15993	4.7
258.01501	1.7
269.08212	1.0
270.96384	0.8
270.98816	12.0
283.99402	2.3
285.00189	2.9
285.12451	0.9
286.00967	2.2
297.00189	1.3
298.98358	16.7
299.01678	1.1
299.98740	2.8
300.10028	4.4
312.99954	5.5
313.05502	1.4
314.00668	19.3
315.01007	2.5
315.12378	9.3
320.23468	0.8
329.11023	1.2
381.15430	0.8
387.11813	3.4
399.16086	0.8
417.21277	1.5
439.21448	1.2
477.06314	33.3
477.19577	2.5
478.06509	2.9
478.17130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47950	0.6
55.01867	1.3
57.03436	3.0
59.01376	28.7
61.98828	6.9
68.99791	0.7
69.03444	1.4
69.57053	0.7
70.87241	0.9
70.87578	1.2
71.01376	20.1
71.25891	0.6
72.40544	0.7
72.99305	4.4
73.02941	6.2
73.40150	0.6
75.00865	11.7
79.30844	0.6
81.03474	1.1
83.01388	1.4
85.02947	16.3
86.03275	0.9
87.00867	5.6
89.02437	6.3
90.12672	0.6
91.04027	0.9
93.03450	4.4
95.01392	3.0
96.96003	3.2
97.06612	0.8
99.00879	8.9
101.02420	4.6
103.00373	1.1
106.06600	2.4
111.00873	1.0
111.08160	0.8
113.02443	18.9
115.00346	1.4
117.01911	1.6
119.03526	1.2
120.99677	1.0
121.02889	0.8
122.03680	0.8
125.02471	1.2
129.01950	1.8
136.99118	0.6
137.02417	9.3
150.05554	1.2
154.02719	0.8
157.01436	1.5
161.04506	1.7
165.12834	13.7
175.02472	2.6
179.03416	0.7
183.13879	59.1
184.14267	2.2
209.11983	1.1
227.12857	4.8
231.05112	1.2
249.06122	10.0
261.39392	0.7
267.07202	15.6
268.07596	1.0
270.98868	2.6
271.02118	0.8
273.11346	1.0
298.98349	3.4
299.01654	1.2
299.99084	8.4
301.16495	4.1
313.00159	1.1
314.00644	2.8
314.04022	0.9
315.01575	6.2
415.19672	2.9
417.24936	2.9
433.11307	1.0
459.18903	1.7
477.07034	11.6
477.19638	100.0
478.20166	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80732	0.6
55.40933	0.6
56.93744	0.7
59.01105	1.0
59.01383	16.7
60.99305	11.8
61.98832	6.8
71.01386	5.1
71.59158	0.9
72.99308	1.7
73.02947	1.4
75.00883	1.1
75.57373	0.7
79.95737	2.4
85.02966	3.3
86.99090	5.3
87.00875	2.5
88.98804	100.0
89.02442	9.3
95.01374	1.1
96.00931	0.8
96.96001	5.8
101.02431	3.5
113.02439	3.1
119.03488	1.9
119.05007	2.4
123.00855	0.9
123.04510	1.1
125.02408	3.0
125.45869	0.6
131.03441	1.0
140.07118	0.9
143.03546	0.7
149.02460	0.7
151.00343	0.9
151.17268	0.7
153.05525	1.7
161.02432	1.0
161.04541	2.3
163.03938	1.0
169.01320	2.1
175.11218	1.1
191.03467	0.9
201.13246	0.9
219.10197	1.1
227.07318	1.1
235.07930	0.8
237.14844	2.7
241.09695	0.7
242.99219	1.0
243.96707	1.6
249.05936	1.6
252.07251	0.7
255.12350	3.3
255.15993	4.7
258.01501	1.7
269.08212	1.0
270.96384	0.8
270.98816	12.0
283.99402	2.3
285.00189	2.9
285.12451	0.9
286.00967	2.2
297.00189	1.3
298.98358	16.7
299.01678	1.1
299.98740	2.8
300.10028	4.4
312.99954	5.5
313.05502	1.4
314.00668	19.3
315.01007	2.5
315.12378	9.3
320.23468	0.8
329.11023	1.2
381.15430	0.8
387.11813	3.4
399.16086	0.8
417.21277	1.5
439.21448	1.2
477.06314	33.3
477.19577	2.5
478.06509	2.9
478.17130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
57.03434	5.5
58.00595	2.8
59.01377	100.0
61.98827	16.6
64.12181	1.4
71.01381	63.3
71.60017	2.1
72.99304	4.3
73.02940	14.4
74.63395	1.3
75.00890	2.7
79.95721	1.5
83.01363	8.0
83.05015	1.5
85.02953	24.5
87.00871	4.3
88.98808	2.2
89.02439	41.6
93.03447	1.7
95.01383	6.9
96.96007	5.4
97.02956	3.1
99.00856	7.3
99.04517	2.5
101.02438	59.4
108.02161	2.6
109.02967	6.0
113.02443	28.8
114.19166	1.3
119.03497	18.0
124.87702	1.2
125.02422	4.9
131.03467	4.2
137.02419	1.8
143.03479	5.9
145.02937	3.4
149.04532	3.4
159.02965	4.4
161.04559	27.8
167.03467	2.3
179.05606	16.9
221.06616	9.7
229.05025	1.7
240.87256	1.4
245.00850	3.2
255.19624	2.7
270.98767	4.2
298.98294	3.8
299.99152	14.6
300.02182	2.2
314.00577	4.7
315.01459	10.0
315.18127	11.1
331.24756	3.8
345.09814	2.4
401.08713	4.0
417.24939	63.9
418.25156	4.8
433.11340	5.6
477.06616	16.3
477.17526	4.3
477.23392	25.8
478.07150	2.9
478.24005	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	478.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
59.01384	3.3
61.98826	9.0
69.53659	3.0
71.01384	3.1
72.99276	0.5
73.02934	0.8
79.01881	0.6
83.01390	0.9
85.02956	2.0
89.02448	1.0
94.99393	0.4
95.01382	1.5
96.96016	1.4
97.02942	0.9
101.02426	1.6
101.06078	0.8
106.70309	0.5
107.01374	2.1
111.00876	2.1
113.02455	1.0
123.00869	9.7
124.01736	1.3
125.02436	10.6
136.98805	0.8
139.00371	4.0
140.01190	2.3
141.01917	0.8
151.00372	8.3
153.01923	0.8
163.76463	0.5
166.65892	0.5
166.81595	0.6
168.00665	3.7
169.01411	18.5
170.01848	0.5
177.04005	1.4
211.02530	1.3
217.03642	0.4
223.02510	0.6
253.03476	0.5
271.04565	1.1
287.06451	0.5
313.05835	0.9
415.12427	100.0
416.12845	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	478.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20152	0.5
55.88740	0.4
57.03437	1.5
59.01374	4.0
61.98828	7.7
69.03452	0.7
71.01374	3.0
72.01684	0.5
73.02943	1.1
81.03452	1.9
83.01379	3.5
85.02965	1.1
87.00913	0.4
88.00381	0.5
88.98817	2.5
89.02444	1.1
93.03447	1.4
95.01379	1.1
95.05022	2.3
95.07033	0.4
96.96026	0.8
97.02946	5.7
98.20683	0.7
99.00883	0.4
101.02439	1.4
107.05029	0.5
108.02155	0.6
109.02945	17.1
113.02438	1.3
116.05058	5.0
117.03495	0.7
119.04968	0.8
120.01218	0.6
120.99677	0.5
121.02950	3.7
122.03735	0.9
123.04523	10.9
125.01511	0.7
125.02437	11.8
125.72327	0.4
131.13574	0.5
135.04535	1.6
137.02435	7.8
138.03162	0.6
139.04025	2.5
145.02917	2.4
146.03600	1.3
147.04498	0.9
149.02441	5.8
149.04439	0.4
149.06041	0.8
150.05637	0.4
151.03987	6.4
152.72316	0.4
154.02695	0.4
156.08127	0.9
159.04501	2.7
160.05290	1.5
161.02467	1.9
161.04691	0.7
161.06067	5.2
162.03299	2.0
163.03986	1.9
164.01180	2.5
165.01912	3.4
165.05484	0.7
167.03459	1.6
168.08195	1.8
169.69748	0.4
173.06036	0.8
174.03250	0.5
175.03990	1.6
175.07617	1.9
177.05559	1.0
178.99701	0.5
179.03490	5.6
185.06068	0.7
187.03989	3.3
188.04742	3.2
191.03494	0.5
199.07553	0.8
200.10016	0.5
201.05504	0.6
201.09181	0.4
202.06342	1.3
203.03529	0.6
203.07126	11.8
204.07388	0.5
205.03322	0.3
205.05045	8.0
212.04669	0.8
213.07657	0.4
221.08252	2.2
227.07138	1.9
229.05034	1.0
230.05829	0.8
231.02992	0.7
245.08153	14.2
247.06064	2.6
256.03757	0.4
271.06174	0.7
289.07156	100.0
290.07507	5.0
299.09406	0.5
300.99292	0.6
316.01498	0.6
331.08203	5.4
343.08136	0.8
346.19351	1.5
357.77823	0.5
361.09259	5.7
430.12958	0.7
442.12955	0.7
468.46744	0.4
478.07590	0.9
478.14560	6.8
478.19846	0.8
478.24380	0.8
479.15808	0.8
479.23816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69495	1.5
54.27488	1.4
55.01888	2.1
58.00595	1.7
59.01378	52.2
61.17319	1.4
61.98827	29.1
71.01379	34.7
71.59570	2.7
72.99303	2.9
73.02935	5.5
75.00891	2.5
82.95440	2.1
83.01378	5.9
85.02932	13.7
85.03317	1.3
87.00889	3.2
88.98802	3.9
89.02438	29.3
93.03458	7.2
95.01337	3.6
96.96012	37.1
96.96601	2.9
98.95581	3.4
99.00906	3.6
101.02444	23.5
109.02963	5.6
111.00919	1.6
111.04536	6.1
113.02436	12.1
115.00356	2.1
119.03498	9.0
122.06120	2.1
123.00868	3.0
125.02439	8.4
128.91048	1.3
137.02425	3.3
138.05611	1.7
138.41518	1.7
139.00369	2.1
139.07607	1.7
141.01967	2.2
143.03494	3.3
145.88658	1.7
148.04039	3.4
149.02461	2.2
149.04471	1.8
151.00386	2.6
153.01970	2.1
153.05547	2.6
155.03502	6.5
161.04514	4.0
163.03987	2.4
165.01874	1.8
169.01459	8.0
173.04597	4.4
175.02538	2.1
179.05608	8.2
183.06589	2.7
187.06326	1.7
197.04562	4.8
204.06480	1.8
211.02521	2.0
212.83931	1.9
215.05550	2.1
219.13464	1.6
229.01451	2.4
255.11432	2.8
270.99045	3.2
273.12265	2.0
275.01804	2.1
298.98334	5.8
299.10251	2.2
299.98965	3.8
300.99884	7.1
313.11908	6.6
317.11127	4.0
327.13470	2.4
345.14474	5.7
389.13382	4.7
403.15250	2.6
416.12878	8.9
417.10037	2.3
441.13962	10.5
443.19199	100.0
444.19531	8.9
447.14145	2.8
479.05222	3.5
479.11798	5.6
479.17575	29.2
480.05417	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	479.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.09423	1.1
58.28179	1.0
59.01376	80.3
61.98817	4.1
69.03441	2.4
70.07601	4.4
70.69196	1.1
71.00998	1.8
71.01376	27.1
72.99300	2.6
73.02934	6.6
75.00851	2.0
81.03452	4.3
81.55389	1.0
83.00903	2.0
83.01376	27.0
83.05018	19.3
85.02939	6.7
87.00880	2.5
89.02439	5.6
93.03456	28.2
95.01372	2.6
96.96005	13.5
97.02944	1.0
99.00874	4.0
99.04527	1.6
101.02435	10.5
101.06066	3.9
102.61964	1.1
107.01408	1.0
109.02953	10.4
111.00866	20.0
111.04514	67.8
113.02443	6.8
119.03488	1.3
120.99638	8.7
123.04520	3.6
124.00339	1.1
125.02447	2.5
127.03981	1.5
137.02438	22.1
148.04051	2.5
153.05548	7.2
155.03491	100.0
156.03842	2.3
161.02429	1.3
161.04555	11.1
165.04124	1.1
169.01360	1.3
173.04524	18.2
179.03491	1.3
179.05528	2.6
255.11310	1.7
263.11337	14.2
271.10892	4.6
273.00473	2.2
315.09958	5.3
317.11523	1.6
383.13409	3.0
401.14264	1.7
402.23291	1.1
416.12833	5.2
419.19437	1.7
443.19415	1.8
451.04755	1.9
479.17563	2.0
480.05139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47825	0.6
59.01377	100.0
60.05318	0.5
61.98823	1.3
69.20658	0.5
71.01376	10.4
72.71844	0.6
73.02956	2.7
83.01408	2.2
85.02967	2.3
89.02439	5.0
89.60552	0.6
95.01379	1.2
96.95998	1.2
101.02434	7.1
113.02438	6.6
119.03503	3.0
131.03519	1.0
143.03525	1.1
161.04588	1.7
179.05608	1.4
228.69461	0.6
266.98688	0.7
399.10828	0.7
419.24039	3.4
437.25391	2.8
479.30276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59746	0.5
57.03434	0.6
58.00589	0.6
59.01377	100.0
71.01380	17.4
71.59769	1.0
72.99320	1.1
73.02943	9.4
77.46317	0.5
81.03463	0.5
83.01385	2.8
84.50408	0.6
85.02941	3.5
85.65215	0.6
86.03256	0.5
87.00875	0.8
89.02434	9.0
95.01422	1.3
95.03436	0.6
96.96037	0.9
98.51943	0.5
99.00861	0.7
101.02441	11.8
101.03098	0.8
103.31107	0.5
113.02440	10.0
113.03159	0.9
119.03480	3.9
131.03473	0.8
137.53590	0.5
143.03506	1.6
149.04561	1.7
161.04544	2.4
165.00040	0.6
179.05627	1.8
300.99716	0.6
307.28128	0.6
402.41553	0.6
419.24350	2.8
437.25296	2.9
500.37653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47143	1.7
59.01374	51.3
61.98825	93.8
65.01742	1.8
71.01373	34.4
71.57967	2.0
72.99320	2.3
73.02955	5.1
75.00877	3.8
79.95720	2.2
80.76902	1.9
83.01369	3.5
85.02949	10.4
87.00850	2.0
88.04025	4.0
88.98816	7.1
89.02437	22.5
93.03443	2.2
95.01385	4.4
96.96008	100.0
99.00899	3.2
100.07673	2.2
101.02454	17.5
107.01450	2.3
109.02953	2.3
111.00848	6.5
111.04392	2.1
112.04086	2.8
113.02454	13.8
119.03493	8.8
121.02939	5.3
123.00908	11.7
123.04435	3.5
123.79253	2.1
124.01625	2.4
125.02433	12.3
126.60925	2.0
130.05113	2.5
133.20837	1.9
137.02419	8.7
138.03183	8.6
139.00363	5.0
139.04034	5.9
143.03520	3.1
151.00388	4.9
159.04565	2.8
161.04535	12.8
165.01874	3.3
166.99881	2.3
169.01389	16.5
169.04999	2.8
174.07674	7.1
179.05594	10.4
181.05043	3.2
184.51549	2.1
185.02498	3.4
201.01852	2.6
229.01401	5.3
231.02899	3.1
231.51511	2.1
245.00778	2.5
252.00650	2.5
257.00864	8.5
258.01541	3.4
263.11377	7.4
271.11008	2.0
273.03857	2.7
274.01141	5.4
275.01913	22.3
299.99030	9.8
300.87109	2.1
300.96631	3.8
300.99838	47.8
301.09207	37.4
301.12296	3.4
313.05698	3.3
392.10913	2.2
417.13855	12.3
420.06247	2.4
421.21078	2.3
427.33188	2.6
445.09750	5.8
480.05289	17.6
480.12891	22.2
481.05460	19.8
481.12955	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	480.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78771	0.3
59.01381	3.7
59.35991	0.3
60.01701	0.3
61.98827	100.0
70.73753	0.8
71.01380	2.1
73.02946	1.0
75.00863	1.0
77.73224	0.3
79.01841	0.3
79.95766	0.3
83.01405	0.8
84.41357	0.2
85.02958	0.8
87.00888	0.5
89.02448	1.2
95.01368	0.4
96.96021	1.6
99.00880	0.4
101.02442	1.3
102.02853	0.3
107.01421	0.5
108.02173	0.4
111.00890	0.5
113.02464	0.8
123.00874	2.4
123.04571	0.4
125.02438	3.8
125.03316	0.3
131.03525	0.4
136.98923	0.5
137.68178	0.3
138.05637	0.5
139.00412	0.8
140.01180	0.4
142.62503	0.3
148.46492	0.3
149.02425	0.3
149.04558	0.6
151.00349	2.1
151.03970	0.4
152.01173	0.7
153.01909	0.3
161.02361	0.3
161.04665	0.6
163.04027	0.6
166.06325	0.7
167.03522	0.7
167.06761	0.4
168.00638	0.6
168.06882	0.3
169.01418	4.6
169.65498	0.3
182.09091	0.6
183.09218	0.4
201.02097	0.4
229.01442	1.2
245.00934	0.3
257.01089	0.9
273.00497	0.3
273.04016	0.4
274.01212	1.6
275.01941	3.0
299.99014	2.1
300.99835	6.5
302.00323	0.4
313.05728	0.9
321.04456	0.7
324.22772	0.3
349.18735	0.4
417.14008	21.6
418.14255	1.3
421.20779	0.4
480.05527	4.0
481.09979	2.3
481.17374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82241	0.4
53.33612	0.5
59.01373	1.6
69.51962	3.0
71.01379	1.0
84.36487	0.4
85.02959	0.6
95.01381	1.7
97.91374	0.4
101.02483	0.5
112.98405	0.5
113.02428	0.6
123.00855	2.2
125.02447	0.6
129.03413	0.5
131.04990	0.6
133.02942	0.8
139.00450	0.6
145.02924	1.7
147.04491	2.2
157.02898	1.7
159.04509	1.7
161.02383	0.8
163.03947	0.7
166.99857	1.1
173.02417	2.5
175.03967	3.4
177.01924	0.9
185.02403	3.3
187.04045	0.9
189.01843	0.8
191.03522	2.8
201.01917	5.9
202.02512	0.5
203.03479	7.0
205.01393	0.8
213.01878	1.7
214.02608	0.7
217.01402	1.0
219.02998	1.9
229.01382	14.0
230.01860	1.2
231.02953	4.8
245.00879	2.1
247.02470	1.9
249.04094	2.8
257.00870	13.1
258.01611	4.9
273.00238	0.7
274.01108	1.6
275.01950	53.1
276.02240	2.0
283.99722	3.3
291.01364	0.5
299.99033	2.3
300.99863	100.0
302.00174	5.3
312.40286	0.5
421.03983	0.9
481.06177	83.2
482.06461	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	481.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61412	0.5
59.01386	1.1
62.02974	0.5
71.01373	0.8
71.15068	1.4
85.02954	0.6
93.83755	0.5
95.01408	1.1
96.28353	0.5
98.20088	0.7
100.12360	0.5
101.02429	1.4
108.38770	0.5
113.01603	0.5
120.96300	0.5
123.00866	3.0
125.02441	1.0
129.03407	0.6
133.02948	0.7
145.02882	1.2
146.03833	0.6
147.04515	1.3
157.02965	1.2
159.04478	1.5
163.04007	1.1
166.99818	0.9
169.01324	0.6
173.02428	1.6
175.03975	2.8
177.01932	1.0
185.02403	3.4
187.03990	0.6
189.01953	0.8
190.02686	0.6
191.03484	2.1
201.01930	4.3
203.03485	5.9
213.01907	1.7
219.02904	1.7
223.99049	0.5
229.01372	12.4
230.01862	1.0
231.02982	4.9
245.00868	1.1
247.02455	2.2
249.04129	2.7
257.00897	12.2
258.01602	5.2
273.00433	1.2
274.01044	0.8
275.01956	55.4
276.02145	2.6
283.99548	2.4
299.99115	1.7
300.99860	100.0
302.00162	6.4
481.06195	82.7
482.06644	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	481.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90121	1.1
59.01379	15.0
61.76368	0.9
61.98830	7.8
69.03467	1.3
70.06164	1.2
70.30512	2.1
70.30907	2.2
71.01383	11.0
72.62158	1.0
72.99309	1.4
73.02941	6.4
75.00862	3.1
82.96402	1.2
83.01395	2.6
85.02940	3.3
87.00871	2.1
89.02443	5.3
93.03444	1.8
95.01385	5.0
96.96007	13.9
97.02928	1.7
99.00909	1.8
101.02447	8.4
102.34007	1.0
107.01407	3.1
109.35442	1.2
111.00835	1.5
111.04520	2.4
113.02451	5.0
119.03448	1.1
123.00886	13.3
125.02439	19.6
131.03461	5.0
136.01657	1.8
137.02486	1.4
139.00340	4.6
140.01079	1.3
145.18361	1.1
147.04559	1.7
151.00336	7.9
151.03979	2.4
155.03464	2.7
161.04472	1.6
166.99876	3.9
168.00754	2.4
168.56227	1.0
168.99976	1.9
169.01410	33.4
173.02519	1.4
177.01822	1.0
190.99933	1.3
197.80237	1.1
201.01849	1.5
211.02516	3.0
213.05559	2.1
229.01286	5.0
231.02965	1.6
241.05099	9.5
241.07291	1.5
247.02483	1.5
256.07449	9.7
257.00861	3.4
271.04929	2.1
271.09732	17.1
275.01974	15.4
300.99915	29.4
301.03323	2.0
302.00159	2.6
313.05634	11.0
318.00308	1.3
319.11664	5.9
331.12286	1.0
387.09259	3.7
399.09128	1.7
421.20813	2.1
437.11203	1.2
445.09827	100.0
446.10110	6.7
481.05685	24.2
481.17996	3.7
494.40369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03445	2.1
58.00589	1.9
59.01101	1.9
59.01380	27.3
59.01677	1.6
60.02023	1.1
61.98530	2.0
61.98827	31.5
65.08862	1.1
67.01888	1.9
69.03451	1.9
71.01376	21.3
71.58384	1.7
72.99303	3.5
73.02937	5.8
74.99093	1.5
75.00883	7.4
78.63443	1.2
79.01885	1.7
79.95775	1.4
80.52364	1.6
83.01400	2.3
83.05029	1.5
85.02949	8.1
87.00875	3.4
87.04511	1.3
89.02438	21.5
93.03478	2.4
95.01385	5.2
96.96007	25.3
97.02935	3.0
98.95580	1.5
99.00870	3.7
99.04511	2.4
101.02453	14.8
107.01370	9.4
108.02165	4.2
109.02975	5.3
111.00916	5.7
113.02441	10.4
115.00394	1.4
119.03492	7.4
119.04996	2.0
120.99671	1.3
122.03731	7.5
123.00891	21.8
123.04523	17.3
124.01669	2.1
125.02443	43.8
126.02827	1.2
131.03525	2.7
135.04480	1.2
136.98892	2.8
137.02431	5.0
138.05618	1.8
139.00385	9.0
139.04007	4.3
140.01151	5.3
141.01950	2.8
145.02997	2.8
149.02422	1.2
149.04520	8.6
149.09709	1.4
150.03154	1.9
151.00357	11.4
151.04018	2.3
152.01007	1.5
153.01889	4.7
155.03500	1.6
161.02496	1.5
161.04599	2.9
162.05559	3.5
163.04034	2.8
165.01921	2.6
165.05537	1.4
166.02657	1.5
166.99800	1.8
167.03453	5.1
168.00610	5.5
169.01413	65.4
170.01743	2.2
173.02533	1.5
175.03902	1.7
177.01842	1.5
179.05586	3.3
181.04950	2.3
183.02895	1.4
191.03549	2.2
191.05594	3.0
193.01466	1.4
193.08368	1.1
201.01878	2.7
203.03404	1.8
211.02466	2.3
225.05556	1.3
229.01312	5.7
241.05095	2.7
245.04718	1.3
245.12883	1.2
247.07086	2.2
255.06662	2.5
257.00925	2.7
270.09067	1.6
271.06036	3.8
271.09641	2.3
275.01913	16.6
276.02448	2.1
286.08322	2.7
297.06055	1.9
299.99182	1.7
300.99866	30.1
301.03333	2.6
301.10840	7.3
302.00235	5.5
307.13983	1.2
313.05637	13.5
319.08340	2.3
319.12665	1.4
329.08658	1.6
337.09814	1.2
373.92441	1.2
401.21890	1.4
418.13583	6.4
421.20706	10.4
437.10840	100.0
438.11163	8.5
481.05420	11.9
481.10016	22.6
481.17435	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	481.0986
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
56.99794	1.1
57.03443	1.9
58.00613	1.3
59.01101	2.2
59.01380	28.5
61.98832	10.7
67.01884	2.3
68.99818	1.4
69.03439	1.2
69.65575	7.2
71.01379	27.0
72.99299	2.3
73.02944	4.0
79.01885	2.1
83.01392	4.6
85.02943	8.0
87.00876	2.4
89.02462	14.4
93.03477	3.2
95.01408	6.0
95.54620	1.1
96.96012	12.8
97.02991	2.2
98.19980	1.9
99.00883	2.9
101.02437	13.0
107.01376	13.9
108.02171	4.0
109.02980	1.2
111.00886	5.9
111.04535	3.9
113.02436	11.0
119.03508	5.3
119.04996	2.4
121.02960	2.9
122.03739	13.5
123.00883	28.7
123.04533	19.2
124.01708	3.0
125.02441	72.3
126.02780	2.4
131.03473	1.2
134.03783	2.0
136.01709	4.1
136.98764	2.4
137.02467	4.7
139.00365	12.7
140.01176	6.5
141.01950	2.8
143.06523	1.4
149.02457	4.9
149.04518	1.6
149.06021	1.5
151.00359	25.3
151.03986	6.3
153.01945	1.6
155.03543	2.8
161.04573	3.4
163.03973	2.0
165.05553	1.4
167.03502	2.5
168.00621	9.9
169.01419	91.8
170.01770	3.1
173.04526	2.1
179.03481	1.3
179.05627	1.5
211.02480	1.6
223.02486	1.5
229.01396	1.7
237.05650	3.2
252.08015	4.0
253.05298	2.8
257.01059	1.8
265.12848	6.4
268.07477	3.5
275.01959	6.6
283.09845	7.0
297.06189	1.6
300.99869	14.1
301.11096	1.8
313.05637	21.6
329.08777	1.5
349.18726	1.7
437.10852	78.7
438.11304	4.8
443.19165	14.1
444.19974	1.6
445.19818	1.6
463.08780	48.7
464.09348	3.9
481.10040	100.0
481.23349	6.2
482.10461	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	481.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.6
61.98830	8.5
70.45576	0.8
79.95734	12.5
79.96189	0.7
80.96548	0.5
86.88315	0.4
91.78396	0.4
96.96019	1.3
98.39777	0.4
101.02445	0.7
113.02380	0.5
123.04536	0.5
137.02493	0.4
141.13046	0.4
145.02960	1.7
147.51802	0.4
149.06120	0.7
160.16327	0.5
173.60657	0.4
180.95811	0.5
222.06836	0.9
224.04779	1.5
238.06406	0.9
239.10759	1.5
241.08749	0.7
251.07039	0.6
252.04298	1.0
254.09366	0.6
255.10280	5.5
266.05826	1.6
267.10379	0.8
269.11826	1.5
270.12576	2.1
275.01862	0.6
276.17230	0.6
277.18082	1.3
282.08914	0.8
283.09744	20.9
284.10034	0.9
294.08997	1.3
295.09698	3.0
296.10526	2.8
297.11249	1.6
298.11942	3.3
300.99918	1.0
309.11273	1.3
310.08606	1.0
310.12100	2.6
311.09241	60.3
312.09418	3.1
325.10809	8.4
326.11563	55.0
327.11884	3.8
341.13910	43.9
342.14142	2.6
421.09619	3.2
445.20782	1.2
446.20676	0.4
481.11685	100.0
482.11960	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	481.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59660	0.4
55.01883	0.7
55.05593	0.5
57.03443	0.8
59.01379	16.4
60.18139	0.4
61.98830	2.4
69.03444	1.6
70.02739	0.4
71.01377	7.3
72.99281	1.5
73.02946	5.5
74.16880	0.5
74.99097	0.8
75.00871	1.4
78.91886	0.6
79.95733	4.0
80.96497	0.9
83.01415	0.6
85.02946	7.4
86.00119	0.6
87.00882	3.2
88.53034	0.5
88.98814	0.7
89.02440	3.0
93.03465	1.0
94.98071	1.1
95.95226	3.1
96.96006	31.9
101.02457	4.7
108.02204	0.5
109.02918	0.7
111.00802	0.5
113.02467	2.6
113.06089	0.5
119.03445	0.7
119.04955	0.7
121.02934	1.9
122.03703	1.6
122.97589	2.4
123.00924	0.9
125.02460	2.2
135.04523	5.4
136.99100	1.0
137.02403	1.1
145.02913	1.3
145.24982	0.5
148.05278	0.8
149.06053	1.5
151.00359	0.6
152.01186	0.5
152.98630	35.1
153.98862	0.6
161.04506	0.9
163.03957	1.3
163.06108	0.6
164.01216	0.4
164.03441	0.5
166.06340	22.3
167.07132	6.4
169.01376	1.3
179.05536	0.7
181.08688	25.9
182.09056	0.9
184.06552	0.5
191.05533	1.3
195.06554	2.7
201.11264	1.7
203.03453	0.5
209.11769	2.1
213.10217	0.5
227.12794	0.5
243.96693	1.1
249.06010	0.5
253.09270	0.9
257.00772	0.8
257.09210	0.6
259.19150	0.5
268.65100	0.5
275.01990	3.2
275.10440	2.1
289.11057	2.1
300.99866	5.3
302.00153	0.9
312.12170	3.7
327.14450	26.7
328.14755	1.4
360.63022	0.5
401.21634	0.9
418.14371	2.6
437.15152	0.6
443.15378	0.9
445.16949	1.1
481.13730	100.0
481.25345	9.4
482.13983	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	481.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03442	0.5
57.20619	0.4
57.85210	0.4
59.01377	10.5
61.98781	0.4
69.03448	1.5
69.60110	2.6
69.60509	0.8
71.01379	3.5
72.99282	0.4
73.02936	4.6
75.00884	0.6
79.95739	2.1
80.96512	1.3
85.02950	5.0
86.00087	0.8
87.00867	2.8
87.04524	0.4
89.02426	0.7
94.98095	0.5
95.95226	3.0
96.96006	25.5
98.19891	0.9
101.02441	1.5
121.02946	1.7
122.03751	1.0
122.97612	1.0
125.02371	0.5
135.04535	4.2
135.30537	0.4
148.05272	1.6
149.06052	1.5
152.98628	33.6
153.98886	0.5
157.11673	0.4
166.04929	0.9
166.06348	21.3
167.07135	5.9
181.08701	25.5
182.08998	0.7
182.42581	0.5
195.06601	2.3
219.75635	0.4
223.24228	0.5
279.46295	0.5
300.99902	0.5
312.12128	5.1
327.14438	24.0
328.14914	1.1
379.52603	0.5
396.78067	0.6
481.13779	100.0
482.14166	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	481.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
61.98814	0.6
69.44980	1.6
71.01382	1.3
73.02948	0.4
79.95738	0.5
80.96508	1.5
83.01360	0.4
85.02938	0.7
88.97843	0.3
94.98066	0.4
96.95994	0.6
99.00896	0.3
101.02433	1.1
113.02444	0.6
120.99647	100.0
121.99969	1.1
125.02466	0.9
131.03513	1.1
145.02946	1.2
161.04576	0.4
161.05983	0.3
163.03937	0.3
166.00815	0.2
169.01418	0.8
178.00967	0.7
181.03279	0.5
184.87747	0.2
211.02606	0.4
211.04271	1.3
226.05234	0.3
261.57455	0.3
271.04614	0.7
275.02121	0.6
276.14450	0.3
285.06760	0.3
289.16577	2.4
300.99899	1.2
313.15826	0.3
393.13824	0.5
421.20761	1.3
435.60788	0.3
444.52182	0.3
481.06100	0.7
481.14566	1.4
481.17020	1.8
481.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.8
59.23029	0.7
61.98833	8.0
71.01379	4.9
71.85667	0.8
72.99339	0.8
73.02954	1.7
75.00884	3.8
83.01384	1.1
85.02935	2.1
87.00888	1.2
88.33562	0.7
89.02449	3.0
92.62807	0.8
93.03435	1.2
93.42457	0.8
95.01387	2.1
96.96001	7.5
99.00900	1.2
101.02444	2.7
107.01355	0.8
109.02949	1.3
109.61703	0.9
113.02452	2.4
116.76750	0.9
123.00880	5.6
125.02429	6.0
135.41310	0.8
136.01634	2.3
139.00401	1.5
139.03967	0.8
141.01953	1.0
151.00388	1.9
151.03998	2.1
153.01953	1.4
155.03554	1.2
157.02895	0.9
159.04500	0.9
161.02467	0.8
161.04433	1.5
166.99809	2.1
167.03470	1.2
169.01428	10.5
173.02438	1.3
173.40100	0.9
175.24963	0.8
177.01917	1.1
185.06102	1.2
195.02902	1.1
197.06117	1.5
201.01913	1.7
203.03499	2.3
212.04756	1.1
213.05536	8.8
219.03004	1.2
223.03981	1.6
224.04871	1.0
229.01494	4.2
231.02995	2.0
241.05064	58.6
242.05377	2.9
247.02367	1.0
249.03987	1.1
255.05026	1.6
256.07413	41.2
257.00876	3.6
257.07721	2.1
258.01495	1.2
271.09735	100.0
272.10068	5.1
275.01926	16.4
276.02316	0.9
278.15717	0.8
299.99304	1.3
300.99884	31.6
301.03348	1.5
302.00174	3.0
302.45850	0.9
313.05630	2.3
319.11801	17.5
320.12100	1.4
342.49182	0.9
419.11908	3.3
421.20834	2.5
445.09698	18.5
445.15112	1.0
481.06085	25.7
481.18167	1.2
482.06573	1.9
482.13388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99202	0.4
59.01377	3.8
61.98824	4.3
64.51598	0.5
70.09500	1.7
71.01399	2.5
73.02934	0.9
75.00864	4.2
83.01404	0.8
85.02947	1.5
87.00865	0.7
89.02450	2.5
93.03474	0.6
95.01373	1.2
96.96008	4.4
98.20518	0.6
101.02424	1.3
107.01365	0.9
109.02937	1.3
111.04483	0.5
113.02435	1.0
116.92398	0.5
119.03467	0.6
121.03013	0.7
121.03904	0.5
123.00834	2.5
123.04523	0.6
125.02474	2.9
131.03406	0.7
136.01630	1.2
137.02426	0.7
139.00323	0.7
145.02927	0.6
151.00340	1.2
151.03998	1.4
153.01898	1.2
161.04585	0.7
166.99831	1.2
169.01407	4.5
173.02374	0.8
175.03911	1.1
179.05531	0.5
185.02345	0.6
185.06021	1.5
188.94502	0.5
195.02982	1.0
195.04565	0.8
197.06166	0.6
201.01891	1.2
203.03413	1.1
213.05539	9.8
219.02884	0.6
223.03989	2.7
224.04762	1.4
229.01472	2.6
231.03011	1.2
240.04305	0.6
241.05042	62.4
242.05466	2.8
245.01164	0.7
247.02499	0.7
249.03937	1.1
255.05141	1.6
256.07385	45.1
257.00919	2.1
257.07782	2.1
258.01636	1.2
265.12714	0.5
271.09726	100.0
272.10080	6.3
275.01978	10.8
299.99042	0.8
300.99893	20.1
301.99991	0.6
313.05698	1.6
319.11823	17.7
320.12204	0.8
387.09525	0.7
419.11746	0.9
421.20706	1.2
434.86243	0.6
437.10529	1.0
445.09369	9.2
446.10275	0.9
481.05972	16.0
482.06519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03441	3.0
59.01377	63.8
61.98826	2.7
67.98197	0.7
71.01376	28.2
72.99294	2.1
73.02949	12.6
73.78688	0.6
78.95911	1.1
83.01384	7.4
85.02945	15.6
87.00864	1.3
89.02451	5.6
93.45033	0.7
95.01379	2.3
96.96002	2.4
99.00878	6.3
101.02438	34.6
111.00846	1.0
113.02438	12.2
123.04500	1.0
125.02442	2.0
129.01929	1.2
131.03499	35.4
137.02460	0.9
139.03966	1.0
143.03458	2.0
144.59579	0.8
151.24399	0.8
152.99612	0.8
159.02989	1.6
161.04579	10.7
180.85144	0.7
218.98982	0.7
229.01379	1.0
275.01968	1.3
289.16547	100.0
290.16992	4.1
300.99976	2.5
349.22485	1.2
419.11557	0.9
421.20749	26.3
422.21182	2.7
468.64188	0.8
474.77780	0.9
481.06589	1.6
481.17596	1.0
481.26422	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	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61581	0.6
65.88538	0.6
70.44550	1.1
70.44884	1.0
74.08340	0.7
74.89314	0.7
78.95896	40.0
79.48074	0.7
96.20255	0.7
96.96944	4.1
112.00940	0.6
138.21790	0.7
150.97958	0.8
152.99579	64.6
171.00627	17.6
224.01216	0.9
227.03174	4.2
245.04289	100.0
246.04597	2.0
253.21703	63.0
254.22031	3.1
481.25659	53.6
482.26144	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	483.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
59.90160	0.2
61.98812	1.0
71.01377	1.1
71.61882	0.3
73.02942	0.4
78.95899	0.5
79.95734	3.0
83.01413	0.2
84.01257	0.2
85.02942	1.0
89.02473	0.3
95.15208	0.2
96.96006	100.0
101.02435	1.2
113.02419	0.5
123.00900	0.7
125.02429	1.4
137.02451	0.2
151.00351	0.5
161.04619	0.3
168.00620	0.2
169.01422	1.4
224.20042	0.2
230.23146	0.3
277.16708	1.1
285.04144	0.2
423.22287	1.6
483.12192	0.4
483.18710	6.9
484.18985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30693	0.2
59.01378	1.2
61.85812	0.2
61.98828	1.1
70.69200	0.2
71.01377	0.5
71.26206	0.2
71.26556	0.2
72.18790	0.2
72.99300	0.2
73.02956	0.2
78.95918	0.5
79.95728	3.1
83.01376	0.2
85.02952	0.2
85.14486	0.2
87.00854	0.3
89.02453	0.2
96.96009	100.0
97.13676	0.1
97.27928	0.2
97.95950	0.3
101.02444	0.4
103.96893	0.2
113.02441	0.3
119.05052	0.2
125.02433	0.5
127.41626	0.2
137.02434	0.5
139.58641	0.2
151.00415	0.3
153.30127	0.2
159.97304	0.3
165.01834	0.2
169.01421	0.7
174.92787	0.2
175.07538	0.2
227.05121	0.2
271.04535	0.4
277.42117	0.2
285.03970	0.3
298.41446	0.2
331.06830	0.2
483.18475	2.5
484.18832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1141
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
51.80211	0.3
59.01374	1.3
61.98817	0.4
62.95240	0.3
65.00311	0.4
66.38683	0.3
67.01893	1.0
68.99789	0.5
69.03437	0.7
69.81429	0.6
69.81851	1.4
71.01378	3.1
72.99305	0.4
73.02930	0.5
75.00887	0.4
79.01872	0.5
81.03461	0.3
83.01382	1.3
85.02940	1.6
86.00119	0.3
87.00822	0.4
89.02428	0.7
95.01382	0.9
96.96031	0.7
97.02942	0.6
101.02436	0.9
107.01382	5.9
107.02043	0.5
110.00092	1.7
111.00883	5.3
113.02442	0.9
123.00874	5.9
124.01686	2.8
125.02439	35.0
126.02792	0.6
127.00353	2.5
136.98796	3.2
137.02446	0.7
137.99545	0.7
138.03212	0.4
139.00366	11.1
139.03999	1.0
140.01157	9.1
141.01891	0.5
151.00362	4.6
151.04013	0.3
152.01126	0.5
153.01926	7.8
154.02701	6.4
154.99847	0.6
155.03506	2.7
165.01915	0.5
167.03517	1.4
167.99178	0.6
168.00629	10.3
168.04311	1.5
169.01411	42.5
169.05032	3.3
170.01720	0.9
170.47717	0.4
181.01549	0.6
183.02995	2.9
192.80489	0.3
196.98000	0.3
211.02519	1.6
221.04549	0.3
223.02510	0.4
241.03551	0.7
253.03485	0.4
270.50262	0.3
271.04428	0.5
285.06186	0.4
291.14587	0.4
297.06107	5.4
313.05615	7.1
314.05994	0.6
317.08661	0.4
327.07349	1.6
423.18225	0.4
439.08691	0.5
451.08298	0.6
483.11432	100.0
484.11823	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	483.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03443	0.4
59.01379	4.5
59.02121	0.3
59.02426	0.3
61.98820	3.6
62.11261	0.3
67.01869	1.0
68.99786	0.5
69.03424	0.9
69.52538	0.7
69.52948	1.7
71.01006	0.3
71.01383	5.2
72.99271	0.9
73.02942	2.1
74.99101	0.7
75.00858	0.8
79.01869	0.9
79.95724	0.7
83.01400	1.6
85.02950	1.8
87.00858	1.6
89.02446	1.9
93.03477	0.5
95.01397	1.8
96.96009	11.9
97.02942	0.8
98.95629	0.4
99.00878	0.8
101.02441	3.2
107.01386	5.7
109.02902	0.6
110.00080	0.8
111.00890	4.6
112.03098	0.3
113.02454	2.2
119.03466	0.3
119.05035	0.5
121.02933	1.0
123.00880	11.1
123.04534	0.5
124.01682	2.0
125.02442	26.9
126.02780	0.6
127.00363	1.4
131.03494	0.5
136.98822	2.1
137.02441	1.0
137.09598	0.4
138.05632	0.5
139.00371	21.4
139.03992	2.3
140.01160	11.5
140.02202	0.3
141.01956	3.1
147.06685	0.3
149.04524	0.5
151.00371	5.8
151.03975	0.6
153.01941	2.7
153.05522	1.1
154.02708	12.7
154.99835	0.3
155.03514	3.9
160.01405	0.3
161.02432	0.5
161.04494	0.9
163.04005	0.5
165.01862	0.5
165.05571	0.4
166.10703	0.4
166.99812	0.8
167.03458	1.2
168.00629	6.2
168.04132	0.3
169.01413	32.8
169.05045	5.8
170.01736	1.0
175.95898	0.3
179.03476	0.8
181.05023	0.4
182.02202	1.0
183.02972	8.7
184.03439	0.5
193.01445	0.5
210.01834	0.4
211.02469	1.5
225.03975	1.9
227.88054	0.4
271.04608	0.4
285.06085	1.8
291.14413	1.3
297.06091	1.4
313.05649	6.4
314.06247	0.4
327.07175	4.2
331.06641	0.6
407.13364	0.4
423.18533	2.3
468.08887	0.6
483.11353	100.0
484.11703	8.4
484.19232	0.6
484.21246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1143
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
59.01376	1.4
61.98823	0.7
63.96017	0.4
66.05167	0.3
69.03436	0.5
71.01383	2.3
71.60046	0.6
72.99285	0.4
73.02945	0.5
74.99106	0.9
78.95902	0.8
79.95749	2.6
83.01372	0.5
85.02946	0.8
87.00833	0.4
91.84988	0.3
95.01383	0.6
96.96004	100.0
96.96995	2.6
97.02966	0.4
101.02447	1.4
107.01385	1.9
109.02912	0.5
111.00896	1.8
113.02440	0.8
123.00877	3.2
124.01678	0.8
125.01518	0.5
125.02438	10.9
127.00360	0.6
130.73953	0.3
136.98921	1.0
137.02428	0.4
139.00352	8.1
139.03976	0.4
140.01157	3.2
141.02000	0.5
151.00375	2.0
151.61224	0.3
153.01855	0.7
154.02707	6.3
155.03456	1.2
163.47565	0.3
168.00630	4.1
169.01411	13.4
169.05017	1.4
183.02982	1.2
217.05048	0.5
221.04463	0.6
239.53523	0.4
277.03473	0.5
297.06180	1.6
313.05594	3.8
327.07309	0.5
328.07837	0.3
335.02380	0.4
443.74197	0.4
468.08966	0.6
483.11325	39.9
484.11551	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	483.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78124	0.3
58.94912	0.3
59.01379	1.0
61.98824	0.5
71.01376	1.3
72.99273	0.4
73.02924	0.5
74.99094	0.7
78.26926	0.3
78.95885	0.9
79.95737	3.1
83.01382	0.4
85.02919	0.4
87.00870	0.6
89.02452	0.5
94.98084	0.4
95.01408	0.3
96.96006	100.0
96.96995	2.5
97.02952	0.3
97.95961	0.3
98.95503	0.3
101.02438	1.2
107.01388	1.2
111.00890	1.5
113.02441	0.6
119.04948	0.4
123.00872	1.6
124.01653	0.8
125.02444	8.1
127.00356	0.7
135.04469	0.3
136.98975	0.8
139.00354	5.6
139.03996	0.4
140.01134	2.8
141.01886	0.4
151.00385	1.5
153.01904	0.5
154.02715	4.3
155.03513	0.7
161.04510	0.4
168.00644	2.8
169.01416	10.4
169.05064	1.0
173.53900	0.2
181.01295	0.3
181.04993	0.3
181.96593	0.2
183.02986	0.9
191.03276	0.3
191.05548	0.3
211.02382	0.4
221.04527	1.1
261.04160	0.4
277.03268	0.6
297.06204	0.7
313.05603	2.4
327.07361	0.4
423.18530	0.6
483.11282	25.2
484.11670	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	483.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78124	0.3
58.94912	0.3
59.01379	1.0
61.98824	0.5
71.01376	1.3
72.99273	0.4
73.02924	0.5
74.99094	0.7
78.26926	0.3
78.95885	0.9
79.95737	3.1
83.01382	0.4
85.02919	0.4
87.00870	0.6
89.02452	0.5
94.98084	0.4
95.01408	0.3
96.96006	100.0
96.96995	2.5
97.02952	0.3
97.95961	0.3
98.95503	0.3
101.02438	1.2
107.01388	1.2
111.00890	1.5
113.02441	0.6
119.04948	0.4
123.00872	1.6
124.01653	0.8
125.02444	8.1
127.00356	0.7
135.04469	0.3
136.98975	0.8
139.00354	5.6
139.03996	0.4
140.01134	2.8
141.01886	0.4
151.00385	1.5
153.01904	0.5
154.02715	4.3
155.03513	0.7
161.04510	0.4
168.00644	2.8
169.01416	10.4
169.05064	1.0
173.53900	0.2
181.01295	0.3
181.04993	0.3
181.96593	0.2
183.02986	0.9
191.03276	0.3
191.05548	0.3
211.02382	0.4
221.04527	1.1
261.04160	0.4
277.03268	0.6
297.06204	0.7
313.05603	2.4
327.07361	0.4
423.18530	0.6
483.11282	25.2
484.11670	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	483.1867
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01869	0.6
57.03436	1.1
58.00595	0.3
59.01377	4.7
61.98825	1.9
67.01896	0.8
69.03442	0.6
70.74326	1.0
71.01379	4.5
72.99316	1.0
73.02939	1.3
75.00868	1.4
77.73471	0.3
79.01887	1.0
79.95734	2.5
81.03471	0.4
83.01392	1.1
85.02954	2.2
87.00883	1.4
89.02435	2.1
95.01374	1.9
96.96011	19.5
96.99301	0.3
97.02937	0.9
99.00892	0.9
99.04538	1.1
101.02452	2.7
107.01395	3.5
109.02971	0.7
110.00043	0.4
111.00884	2.4
113.02444	1.4
119.03479	0.4
120.99722	0.4
122.03745	0.5
123.00885	14.2
123.04530	0.7
124.01733	1.7
125.02444	16.3
127.00343	0.9
129.09218	0.6
135.49551	0.4
136.98825	1.3
137.02412	1.0
139.00366	5.3
140.01161	4.1
141.01915	1.4
141.13522	0.3
151.00363	9.2
151.03954	0.4
153.01927	1.1
159.03029	0.6
161.04533	0.4
163.04008	0.7
165.05586	0.5
168.00624	4.1
169.01414	23.7
170.01762	0.6
176.08391	0.6
177.04027	3.0
177.05568	1.1
177.09207	1.7
179.03532	0.5
191.03540	0.5
196.47813	0.4
203.03488	0.4
203.98982	0.5
211.02438	2.9
221.08247	0.7
243.96544	0.4
255.02861	0.8
271.02206	0.7
271.04742	1.5
285.17383	0.4
300.02756	2.5
301.03528	2.4
313.05569	0.6
329.05258	0.8
386.08707	0.4
447.09296	3.5
483.18747	100.0
484.19125	8.2
489.70084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99895	1.3
56.36855	1.0
59.01151	0.9
59.01382	12.8
61.98827	29.8
67.01878	1.3
69.52561	2.1
69.52965	6.9
71.01372	8.2
73.02938	3.3
79.95745	5.9
79.96136	1.0
83.01384	1.0
85.02950	3.1
89.02429	2.4
93.03416	1.3
95.01385	2.7
96.96011	39.0
99.00885	2.1
101.02463	4.8
103.97637	1.0
103.99661	1.0
107.01366	2.8
111.00917	1.1
113.02422	2.0
121.02959	1.6
123.00893	11.6
123.04507	1.2
125.02452	14.4
127.00350	1.4
131.03499	1.5
135.04434	1.3
137.02400	2.0
139.00336	3.0
140.01183	2.7
141.01840	1.3
151.00375	9.2
161.04564	1.1
163.04019	1.5
168.00623	3.2
169.01395	14.9
211.02338	1.6
271.04489	1.9
291.17563	2.4
328.12903	1.7
331.06760	1.4
368.17038	1.0
381.14395	1.2
382.16577	1.1
415.12045	1.2
423.21402	2.3
483.13141	7.5
483.18939	100.0
484.19711	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	483.2004
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
54.16699	3.6
59.01369	11.7
61.98830	24.7
68.54619	3.9
69.26801	7.7
69.27213	33.0
71.01375	13.4
96.95993	15.1
98.20732	7.3
99.00932	5.2
101.02457	6.5
123.00869	8.8
124.01660	27.1
125.02458	21.0
137.09685	4.6
139.04001	9.0
153.05505	4.0
155.10754	23.5
168.81837	3.7
169.01352	10.5
179.10678	4.2
196.50549	5.2
199.09726	12.4
306.66992	4.4
331.06628	14.9
447.22473	11.0
466.97382	4.9
483.19641	100.0
484.19763	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	483.2001
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
55.42505	4.2
57.03445	8.0
59.01380	67.7
61.98833	100.0
62.07730	4.2
64.24530	4.7
71.01365	33.5
71.61509	6.2
73.02936	15.0
78.79718	5.4
78.95912	5.0
79.95728	5.3
83.01431	8.9
85.02967	26.2
89.02467	13.5
89.10972	4.8
96.96009	65.4
99.00891	9.6
101.02438	34.3
113.02428	16.6
115.03989	8.0
123.04518	5.7
125.02438	11.9
131.03481	6.0
137.02460	8.5
151.17108	4.8
152.99530	5.9
161.09613	5.5
166.04926	4.7
166.30875	5.4
169.01486	7.3
179.10770	10.7
199.74092	5.0
201.05768	5.0
203.45689	4.8
291.18027	29.4
353.33380	5.2
423.22324	51.9
447.22357	8.6
483.11920	10.6
483.19345	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94717	6.0
59.01380	100.0
71.01387	44.6
71.61600	8.5
73.02945	17.0
83.01359	11.0
85.02945	19.9
87.00883	8.2
89.02447	33.7
90.29093	6.3
96.95998	15.8
96.96888	7.0
99.00869	19.4
101.02421	57.8
113.02436	23.2
118.92043	6.5
119.03452	8.0
125.02393	7.3
127.28300	7.3
131.03525	55.6
135.08148	8.9
149.04509	22.9
161.04524	8.5
177.05530	8.9
181.36183	7.4
211.87773	7.3
240.74965	8.3
291.18100	88.5
312.99908	13.6
328.02164	15.2
343.04602	12.9
423.22305	32.2
437.19614	9.3
447.22028	41.4
483.19876	53.8
483.33826	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	483.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86839	1.2
52.12272	1.4
55.01872	1.5
58.00588	3.3
59.01378	91.2
61.98824	6.7
62.48902	1.1
69.03457	3.1
69.77832	2.4
69.78230	7.5
71.01379	34.5
72.83477	1.2
72.99295	5.0
73.02547	1.9
73.02943	31.0
75.00866	2.0
78.91824	1.6
83.01359	1.9
84.18527	1.2
85.02948	17.4
86.00065	1.2
87.00869	10.3
87.04484	3.5
88.98809	2.1
89.02442	26.5
93.03468	1.9
95.01369	3.0
96.96003	12.4
97.02956	3.9
99.00886	2.7
101.02441	64.4
103.04005	22.4
107.01396	7.8
109.02947	2.0
111.00874	3.3
113.02444	5.0
115.04045	5.8
119.03514	11.7
123.00847	5.1
123.04540	1.5
124.01667	2.6
125.02447	72.8
127.04013	3.4
131.03476	9.4
137.02412	6.2
138.05559	1.4
139.00334	7.1
139.03983	1.9
140.01122	5.0
141.01868	1.9
143.03508	12.4
145.05058	7.9
151.00351	5.5
152.01077	1.5
153.01871	2.8
153.97214	1.5
154.02704	3.0
155.03555	1.7
161.02423	1.5
161.04475	1.7
163.06122	100.0
165.01875	1.3
165.05591	1.5
166.99628	1.7
167.03503	1.3
168.00645	9.3
169.01418	78.9
169.04932	2.0
170.01723	2.1
179.03502	1.8
179.05591	1.4
180.42584	1.1
183.02924	1.3
193.01375	3.1
201.34471	1.3
205.07184	22.9
211.02475	19.8
212.58777	1.1
224.43803	1.4
235.08296	1.8
249.06354	1.4
265.09183	10.4
271.04578	21.3
277.12827	1.6
287.07706	5.0
293.08731	4.5
313.05576	9.8
325.11386	2.2
326.68198	1.3
331.06653	13.0
423.05777	2.0
423.18546	10.8
439.08762	14.7
445.13547	2.0
447.14993	3.6
483.07684	40.4
483.12564	13.0
484.12552	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	483.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03456	1.4
59.01379	64.0
60.01719	0.8
71.01379	24.0
72.99332	1.0
73.02944	11.2
83.01385	7.6
85.02949	17.3
87.00839	1.5
89.02454	3.0
93.67950	0.8
95.01366	1.4
99.00855	5.3
101.02449	33.0
113.02441	10.7
125.02394	1.6
131.03508	44.7
159.03003	2.9
161.04558	9.2
201.31357	0.8
217.54010	0.7
281.70779	0.9
291.18121	100.0
292.18509	3.6
302.09741	0.8
327.29922	0.9
328.03760	0.9
423.22299	26.7
465.77640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14852	0.7
55.01868	2.5
57.03442	2.9
58.00592	1.4
59.01377	66.4
59.95764	0.7
60.01699	0.9
61.98825	5.1
69.03438	0.9
71.01378	39.0
71.60567	0.7
71.60973	1.0
72.99278	2.2
73.02940	14.6
75.00861	1.9
78.95884	2.3
79.95722	4.0
81.95293	2.3
83.01391	8.5
85.02951	20.4
87.00887	2.0
89.02447	7.4
95.01373	2.5
96.95992	9.4
97.02928	1.2
99.00873	7.0
100.30428	0.8
101.02438	40.4
102.02762	0.8
109.02975	1.1
111.00884	1.8
113.02442	17.0
115.04004	2.2
120.99716	1.1
122.03724	2.0
125.02420	2.5
129.01939	0.9
129.90024	0.7
131.03499	37.1
135.04512	1.1
135.11819	1.4
143.03490	1.0
147.04488	1.0
149.04568	1.1
152.99548	2.8
159.02989	2.2
161.04541	11.7
179.10786	4.3
237.87047	0.8
241.13409	2.8
247.95145	1.1
255.10292	1.0
255.30244	0.8
276.17239	1.8
277.17981	4.0
283.09772	6.6
284.09985	1.4
285.09915	1.7
285.12683	2.3
291.18124	100.0
292.18396	5.1
298.11868	0.9
300.12607	0.8
311.09201	11.6
311.12344	1.4
312.09427	3.3
312.12753	1.2
313.09814	7.2
321.19067	2.0
325.10886	2.2
326.11609	12.2
327.11728	3.9
328.12238	6.6
341.13840	8.5
342.14096	1.7
343.14386	6.0
423.22321	47.0
424.22461	2.8
445.20999	1.7
483.11703	34.4
483.19104	12.8
484.11624	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	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.4
64.61600	0.4
69.18195	0.4
71.59707	0.4
78.95899	7.1
86.76902	0.4
96.96986	0.7
103.25784	0.4
152.99579	13.2
153.22565	0.4
171.00670	0.9
217.90305	0.4
227.03241	3.3
245.04297	1.4
245.51674	0.5
255.23268	100.0
256.23593	5.6
346.17743	0.5
426.31335	0.4
483.27100	36.6
484.27530	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	484.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
55.27166	0.4
57.03446	3.6
58.00594	1.6
59.01376	33.2
61.98829	1.2
68.02532	100.0
68.16109	0.4
69.02859	0.5
71.01376	55.7
71.61115	0.4
71.61488	0.5
72.01706	0.8
72.99307	3.2
73.02943	13.9
75.00867	0.6
81.03407	0.4
83.01384	6.5
84.09733	0.3
84.99158	0.3
85.02945	24.1
86.03296	0.4
87.00874	4.2
89.02441	19.7
95.01371	4.5
96.95988	0.6
97.02924	1.6
99.00875	6.7
101.02437	35.5
111.00841	0.8
113.02438	22.7
119.02781	0.5
119.03500	6.5
120.96330	0.4
125.02387	1.2
129.01900	0.7
131.03439	0.8
143.03491	3.0
149.04457	0.6
153.46123	0.4
159.02963	5.3
161.04544	32.6
162.04829	0.6
165.01004	0.8
179.05469	1.4
181.40379	0.4
203.91736	0.4
205.03372	0.9
209.07364	38.8
209.09280	1.3
210.07491	1.7
239.08443	6.9
248.05672	1.7
253.06131	0.5
257.90970	0.4
311.10541	3.1
322.13220	14.7
323.13162	0.9
397.13556	0.9
401.13687	29.6
401.18515	1.4
402.13214	1.9
415.15088	2.5
418.54858	0.4
484.18436	10.1
485.17831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93627	1.4
55.07184	1.5
59.01099	2.6
59.01375	25.9
61.98829	14.8
71.01382	25.3
71.58754	2.6
72.99313	2.6
73.02948	5.8
74.99113	2.0
75.00874	1.5
79.95737	7.5
80.91680	6.2
82.95409	22.1
83.01378	9.2
83.85770	1.3
85.02944	11.9
87.00872	4.0
89.02444	16.9
93.03454	14.7
95.01400	3.7
95.95222	3.1
96.32549	1.4
96.96008	99.9
96.99352	1.3
97.02950	2.8
99.00885	12.9
99.01503	1.9
101.02440	20.9
108.02169	2.3
109.02944	4.6
111.00858	2.0
112.48783	1.4
113.02425	11.8
117.03441	3.3
117.05498	1.3
119.03522	7.4
119.05025	19.6
120.05397	1.5
121.02933	3.1
123.00858	2.1
123.04502	3.7
125.02444	11.3
131.03452	2.1
131.04996	6.9
132.05833	9.0
133.02934	4.8
133.06598	14.2
135.04532	3.1
137.02460	1.7
139.03970	2.7
143.03709	1.7
143.05022	4.9
145.02942	5.6
145.06602	8.9
147.04517	38.8
147.08353	1.6
149.06091	12.4
151.00388	2.2
152.01144	3.8
153.01906	2.8
156.05838	2.2
157.06537	4.4
159.04480	4.3
160.05246	3.6
161.02449	4.7
161.04526	5.2
161.06035	9.1
163.04010	3.6
163.07593	4.1
165.05467	4.7
167.03543	1.6
169.01457	4.4
171.04495	2.8
173.06032	9.8
175.03987	9.3
175.07603	4.7
177.01987	2.5
177.05545	29.9
179.05559	6.6
187.03993	5.3
189.05533	18.9
191.07127	5.6
193.05089	6.8
199.07610	4.7
201.05522	15.0
203.03491	6.3
205.05080	10.4
211.02438	1.7
215.07100	3.7
217.05074	1.7
217.08652	6.2
219.06575	18.1
221.04524	100.0
222.04936	2.9
235.06062	1.7
243.06598	17.9
259.06116	5.1
261.07736	2.4
263.05588	28.1
264.05908	2.0
266.23224	1.6
271.04425	3.8
287.05649	9.0
289.07214	3.6
293.16129	9.6
301.67056	1.6
305.06589	4.2
323.07471	1.9
347.09641	2.1
356.88376	1.6
423.13126	10.7
425.11197	3.1
425.20233	23.5
441.13800	14.1
449.10571	1.9
467.15808	2.3
485.11722	55.6
485.18097	14.4
486.13416	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	485.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71946	0.2
57.96617	0.2
59.01375	1.3
61.98815	0.5
70.73975	0.4
71.01378	0.6
71.02708	0.2
73.02963	0.3
78.95906	0.7
79.95740	4.0
82.95433	0.4
85.02948	0.3
87.00835	0.2
89.02459	0.5
96.96007	100.0
97.02901	0.2
97.95935	0.3
98.95589	1.5
98.96416	0.3
101.02427	0.4
101.32258	0.2
104.79337	0.2
105.89628	0.2
105.98130	0.2
123.00839	0.3
123.04554	1.0
125.02453	0.8
135.04515	0.8
139.04008	0.3
147.04495	0.3
147.77065	0.2
148.49954	0.2
151.00471	0.2
161.04604	0.2
167.03467	1.6
167.24828	0.2
169.01428	0.8
211.02429	0.2
221.08212	0.2
244.96683	0.2
246.17964	0.2
271.04550	0.2
305.10556	0.2
313.05707	0.3
329.09109	0.2
381.05972	0.2
449.10876	0.9
450.10931	0.3
485.10910	0.5
485.17197	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	485.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.95429	0.2
61.98819	0.5
69.68357	1.3
71.01387	0.5
73.02924	0.2
78.95928	0.5
79.95736	3.9
82.95422	0.5
85.02926	0.5
87.00858	0.2
89.02429	0.4
96.96008	100.0
97.95960	0.3
98.95598	1.4
101.02457	0.3
113.02432	0.3
119.03567	0.3
123.00906	0.3
123.04462	0.4
125.02452	0.9
135.04530	0.8
147.04559	0.4
149.35971	0.2
158.88905	0.2
167.03491	1.2
169.01407	1.1
175.02393	0.3
191.03465	0.4
200.67628	0.2
313.05682	0.5
322.22693	0.2
323.35333	0.2
449.10718	1.4
450.11179	0.3
485.11273	0.8
485.17395	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	485.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
69.23250	0.7
69.23655	2.8
71.01362	0.8
78.95905	1.4
79.95737	2.8
83.15717	0.3
89.02425	0.6
96.96004	100.0
97.02940	0.4
98.95602	0.6
101.02447	0.4
135.09537	0.3
139.04042	0.5
169.01454	0.5
189.61073	0.4
201.66122	0.4
238.52536	0.4
286.48370	0.4
301.76941	0.3
447.30011	0.4
485.17212	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	485.1691
Annotation	Callophycoic acid A
Peak:m/z	Relative Intensity
50.69924	0.3
59.01104	0.5
59.01377	5.0
61.98819	2.4
71.01377	2.9
73.02952	0.9
73.12025	0.4
74.99096	0.7
75.00876	0.8
79.95732	2.9
80.91679	1.5
80.96516	0.5
82.95424	2.1
83.01385	0.4
85.02933	1.6
87.00876	0.7
89.02451	2.4
95.95245	0.7
96.96008	100.0
97.02960	0.5
98.95602	1.5
101.02435	1.6
102.46883	0.4
102.57581	0.4
103.16171	0.4
111.04533	0.5
113.02453	1.7
119.03468	0.5
123.04523	0.6
125.02454	1.8
137.02406	0.6
138.01953	0.7
139.03958	0.4
143.03416	0.5
147.04343	0.4
151.00345	0.5
161.04591	0.9
161.07181	1.3
165.01909	0.4
166.05058	0.5
167.03470	0.8
167.05896	0.5
169.01376	1.3
175.08694	0.5
179.05582	0.6
189.06618	2.4
191.03508	0.5
203.08226	0.6
259.06369	0.4
287.05682	0.6
289.07074	0.7
305.10788	1.1
485.16983	71.1
486.17200	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	485.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	2.4
59.01376	34.5
61.98824	100.0
68.82709	2.4
70.06438	4.1
70.06855	8.3
71.01387	14.2
72.99298	3.6
73.02917	6.4
75.00883	2.8
77.94509	2.5
83.01346	3.0
85.02975	5.7
89.02439	7.4
96.96004	49.2
99.00920	3.7
101.02451	7.3
102.95989	2.6
109.02934	2.6
113.02438	9.2
121.02911	2.9
123.04507	2.9
131.03467	4.8
135.04492	2.5
137.87326	2.3
143.06792	2.6
155.10771	22.7
179.10852	2.8
228.75224	3.1
230.45334	2.4
291.18085	4.2
292.18417	3.9
293.18579	5.0
329.06522	16.3
425.22580	5.6
445.17218	2.7
485.18130	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	54.0
61.98814	19.3
71.01371	32.0
71.55841	6.9
73.02937	12.6
77.01035	8.1
83.01373	10.5
89.02426	18.3
96.95976	12.5
98.20641	26.6
99.00846	15.9
101.02404	24.4
113.02391	10.2
127.88072	7.8
128.70099	6.8
133.15259	7.8
149.04494	15.4
150.34766	7.7
155.73628	7.9
161.04523	15.2
229.27640	7.9
320.85968	8.6
324.62479	8.2
401.01913	8.1
405.21957	58.2
449.23932	94.6
485.21643	100.0
485.28241	11.8
485.73621	15.5
486.24341	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	485.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40229	0.6
59.01370	1.0
60.99294	1.1
71.55074	1.0
74.70659	0.6
93.32242	0.7
100.02462	0.6
178.94342	0.6
187.40321	0.6
193.62930	0.5
196.58131	0.6
233.38747	0.5
255.23227	0.9
257.23889	1.7
377.28485	4.4
389.28433	0.8
393.27817	1.4
407.29416	4.8
423.32703	14.4
424.32990	1.1
439.32297	1.0
453.33984	0.8
467.31445	0.9
485.32709	100.0
486.32962	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	485.3271
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
50.48465	0.5
71.05002	1.7
71.74064	0.5
74.54701	0.5
97.06589	3.4
114.24797	0.6
119.08636	0.8
146.24001	0.5
187.14926	3.6
194.92393	0.5
205.15959	4.2
231.13789	1.3
233.15291	1.4
235.17014	28.9
236.17326	1.1
241.46828	0.6
249.14941	22.6
250.15063	0.7
255.14322	0.5
302.24756	0.6
389.28174	1.4
391.29987	1.9
405.31897	2.9
407.33163	5.4
423.32480	0.8
439.32208	0.7
441.28217	0.7
441.33652	6.6
442.33823	0.9
451.32138	16.9
452.32571	1.1
453.33710	44.5
454.34012	3.8
471.34460	1.3
472.96057	0.6
480.44672	0.8
485.32489	100.0
486.32889	9.7
497.32721	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68679	0.3
59.01365	0.5
60.99288	0.6
64.47726	0.3
71.01385	3.4
71.59613	0.5
104.82899	0.3
122.02595	0.3
132.49806	0.3
140.05650	0.4
147.85970	0.3
149.51732	0.3
173.64754	0.3
183.38622	0.4
219.17531	0.5
255.23228	1.0
256.23593	0.7
257.23889	1.2
281.02670	0.4
309.22314	0.3
349.29037	2.9
351.30487	1.5
365.28061	0.4
367.30072	0.8
369.31635	0.6
383.29535	27.2
384.29980	2.5
393.28189	0.5
395.29410	1.0
413.30618	6.2
423.32660	19.8
424.33057	1.4
427.28592	1.0
441.33600	1.4
467.31503	0.7
485.32700	100.0
486.33057	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	485.3269
Annotation	Iridotectoral B
Peak:m/z	Relative Intensity
50.46288	0.2
52.20499	0.2
57.03409	0.3
59.01343	0.3
69.82424	0.2
71.04948	0.8
76.29932	0.2
83.57157	0.3
97.06531	0.4
112.76749	0.2
125.09719	0.2
141.06848	0.2
152.21136	0.3
195.74181	0.2
249.14853	0.6
323.23798	0.9
381.27963	0.3
395.29538	1.3
408.26758	0.3
409.27213	3.2
409.31506	0.3
419.29602	1.0
423.28931	1.0
423.33487	0.5
424.29468	0.5
425.30392	0.7
437.30557	10.4
438.30847	0.6
439.32114	63.7
440.32477	6.4
441.33801	5.2
442.34622	0.4
449.32864	0.5
485.32700	100.0
486.33020	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98820	0.3
64.96851	0.3
71.05009	0.6
71.14435	0.6
75.32706	0.3
95.05009	0.6
97.06591	1.1
111.08224	0.2
137.09706	0.3
148.56850	0.3
181.18225	0.3
205.15952	0.7
215.14293	0.3
221.15494	0.3
233.15405	0.5
377.32126	0.3
381.31512	0.5
423.32700	0.9
425.30536	0.3
439.32599	0.8
441.34293	1.5
467.31647	2.9
468.31879	0.4
485.32715	100.0
486.33072	10.3
510.97897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72648	0.2
59.01344	0.3
61.98827	0.5
68.18554	0.2
71.01377	0.2
71.05016	0.6
71.59541	0.3
77.38905	0.2
95.05052	0.3
97.06551	0.3
109.27631	0.2
110.66817	0.2
115.63884	0.3
165.13029	0.3
177.09180	0.2
234.79793	0.3
235.17079	0.6
242.95230	0.2
265.18069	0.3
289.17889	0.6
305.21182	1.4
391.26123	0.6
392.26990	0.3
393.27988	1.9
395.29486	5.5
396.29886	0.5
397.31305	0.5
407.29562	1.6
408.26569	0.7
409.27322	1.0
411.32556	3.2
413.34515	0.5
423.32675	18.3
424.33026	1.6
425.30542	4.4
426.30789	0.3
439.32120	4.5
440.32465	0.7
441.33679	63.8
442.34003	6.0
449.30569	0.4
457.31314	0.4
467.31696	0.4
485.32675	100.0
486.33038	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50219	0.3
58.00591	0.4
71.35925	0.6
74.17569	0.3
88.74638	0.4
92.15460	0.3
215.62393	0.3
244.27130	0.5
305.21225	1.7
314.02551	0.4
391.26346	0.8
393.27939	1.8
395.25146	0.4
395.29697	3.2
407.29541	1.5
408.26321	0.5
409.27182	0.8
410.28204	1.6
411.32730	1.2
423.32681	17.7
424.33084	1.4
425.30554	2.7
439.32098	3.6
440.32166	0.4
441.33685	46.1
442.33984	5.0
451.32056	0.5
485.32681	100.0
486.33072	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	485.3634
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.99294	0.6
66.66660	0.2
67.30903	0.2
71.05021	1.1
85.06570	0.3
97.06587	6.4
135.51950	0.2
137.09752	0.4
159.02705	0.2
191.14383	0.7
196.36324	0.2
229.48167	0.2
373.25226	0.6
374.25995	0.4
375.02490	0.2
375.26782	0.4
377.28400	0.6
389.28485	2.4
391.30008	3.8
403.30325	0.5
405.31650	7.8
406.31754	0.9
407.33167	10.8
408.33325	1.2
409.34729	0.2
421.26974	0.4
421.31812	0.3
423.28827	0.8
423.33429	0.4
437.30753	1.1
439.32080	1.7
441.33710	10.4
442.33945	0.7
451.32144	37.8
452.32440	3.6
453.33698	100.0
454.34045	10.1
459.34650	0.3
471.34784	4.6
472.35110	0.3
483.31366	0.3
485.36566	20.0
486.36829	2.1
497.32672	7.5
498.32803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3633
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.99290	6.6
63.96235	9.7
69.01413	2.7
71.58246	2.7
82.65585	3.3
96.96023	3.4
97.06567	14.5
137.47211	3.2
147.04826	16.8
191.14371	5.8
204.76498	3.8
353.73044	2.6
389.28433	5.5
405.31503	11.2
407.33191	21.3
439.31818	5.4
441.33655	100.0
442.34061	8.0
451.32153	60.1
452.32272	4.1
453.33655	82.5
454.33957	7.8
471.34476	3.8
474.50739	3.0
485.36853	80.7
486.36554	4.7
497.32855	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	486.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86817	0.6
56.20763	0.6
59.01370	8.4
61.98825	12.7
67.55574	0.6
68.84065	0.6
68.99818	0.7
69.83925	2.5
71.01373	6.3
72.99308	1.0
73.02943	1.7
79.01881	1.0
79.95728	0.7
81.03437	0.6
82.95419	1.1
83.01385	1.4
85.02940	3.4
87.00872	1.4
89.02441	3.4
93.03450	0.7
95.01376	1.7
96.95999	5.4
97.02921	1.7
99.00827	0.6
100.76664	0.6
101.02449	4.9
102.02740	0.6
107.01390	3.2
108.02164	3.3
109.02229	0.7
109.02951	10.1
111.00841	2.0
111.04490	0.7
113.02435	3.6
115.15348	0.5
119.03526	0.7
121.02933	0.7
123.00881	8.7
123.04498	2.6
124.01679	1.3
125.01507	1.4
125.02441	26.2
126.02804	1.0
136.98872	0.8
137.02435	2.6
138.05551	0.6
139.00368	4.6
140.01132	2.5
141.01917	0.9
145.02936	1.7
151.00352	8.0
151.03990	1.8
153.01907	1.0
154.02725	1.4
161.02435	1.5
161.04594	1.6
161.06033	0.9
165.01927	1.6
167.03467	1.5
168.00662	4.3
169.01419	37.9
169.05032	2.4
170.01714	1.2
175.03987	0.8
177.02003	0.6
179.03514	1.0
188.04730	0.7
203.07143	1.5
205.05038	1.4
211.02400	5.4
245.08174	2.4
271.04486	5.3
272.04761	1.1
279.14499	1.7
280.14749	1.0
289.07144	9.0
297.06256	1.3
313.05588	8.8
314.05994	0.7
331.08154	9.0
334.12363	0.9
335.13391	1.1
361.09140	0.8
423.09296	100.0
424.09698	6.7
425.19983	1.7
426.20609	3.3
442.13202	0.7
451.12589	3.8
486.12347	6.2
487.08484	1.0
487.14664	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93551	1.2
59.01372	9.7
61.98822	4.9
66.07925	1.2
67.01869	1.9
69.03463	1.6
71.01368	10.8
71.59803	1.6
73.02926	4.9
79.01861	1.7
79.37592	1.2
79.95744	1.2
81.03466	2.2
83.01368	5.1
83.05003	4.1
85.02935	5.2
89.02431	6.2
93.03451	18.9
95.01363	3.4
96.95999	17.1
97.02939	2.9
99.00900	2.9
99.04479	2.2
101.02409	6.0
107.01374	7.3
109.02930	6.9
111.00870	6.4
111.04503	22.2
113.02448	3.7
119.03498	2.8
119.04971	1.9
123.00877	22.7
123.04507	3.2
124.01656	2.4
125.02433	65.5
135.04498	3.0
136.98882	1.3
137.02415	6.5
139.00365	8.8
140.01161	2.1
141.01874	2.4
143.03455	1.6
145.02910	4.3
150.99222	1.2
151.00360	17.3
151.03987	2.0
152.01018	1.5
153.01868	3.9
153.05545	1.6
154.22891	1.1
154.99911	1.7
155.03517	10.2
157.10602	1.2
161.02383	2.0
163.03935	2.2
164.46924	1.2
165.01863	1.5
167.03413	4.9
168.00662	8.4
169.01405	100.0
170.01691	3.8
173.04575	7.9
179.03450	2.9
183.02892	1.4
197.04517	3.5
211.02458	16.6
245.08130	2.1
253.03496	1.5
260.99719	1.2
271.04578	9.4
274.50684	1.3
289.07217	6.0
313.05527	7.2
331.06635	36.0
449.12903	28.9
450.13303	2.1
451.08090	3.4
451.13037	5.0
469.09814	34.7
470.10178	2.7
487.10760	82.3
488.10895	6.2
492.37250	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	487.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.3
62.31660	1.7
65.64921	1.8
68.99805	5.7
69.88438	1.8
70.54383	4.9
71.01381	13.1
71.62204	1.6
73.02946	1.9
83.44070	1.8
85.02958	7.6
87.00867	9.9
87.84091	1.5
89.02439	16.6
89.13317	1.7
93.03440	4.0
99.00872	1.9
101.02437	49.3
102.05608	13.7
102.30482	1.7
113.02453	7.2
119.03477	3.9
120.93030	1.7
126.44244	1.5
127.05128	3.8
128.03539	14.3
144.02980	2.6
145.01421	100.0
145.06175	19.3
146.04585	47.1
169.01411	3.1
173.04561	1.9
191.05602	81.5
251.52061	2.0
295.10312	71.1
296.10538	3.0
366.12268	1.9
449.13138	3.9
487.10153	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	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53323	0.4
57.03444	0.6
58.00578	0.7
59.01375	21.8
61.98833	2.2
62.14540	0.5
69.03464	0.5
70.83822	0.4
71.01376	12.4
71.60725	0.6
72.56457	0.4
72.99303	0.8
73.02941	0.5
81.03448	0.6
82.95409	1.3
83.01378	2.1
85.02946	2.8
87.00835	0.6
88.09405	0.5
89.02441	11.6
93.03452	0.9
95.01365	2.0
96.95985	3.6
97.02935	1.4
99.06604	0.5
101.02439	10.9
107.01349	2.3
109.02949	3.0
111.00832	1.5
111.04521	0.9
111.08121	0.6
113.02442	5.3
117.56054	0.5
119.03503	7.2
119.04955	0.5
121.02942	0.7
123.00887	4.8
123.04527	3.1
124.01684	1.7
125.02437	16.6
126.02763	0.6
131.03627	0.4
136.98866	0.8
137.02441	3.3
139.00381	3.3
139.03993	1.1
140.01106	1.6
141.01892	0.5
145.02904	1.2
147.04475	0.5
149.02432	1.3
151.00375	3.1
151.03954	2.0
153.01874	0.5
153.20396	0.4
154.02698	1.7
155.07108	2.1
161.02394	1.4
161.04587	0.7
161.06058	0.6
162.03085	0.5
163.03969	0.9
165.01923	1.9
165.05547	0.7
167.03435	1.5
168.00626	5.6
169.01404	19.7
169.05058	1.6
170.01712	0.6
173.08191	1.4
175.03926	0.9
179.03493	1.3
179.05634	0.6
187.04057	0.6
188.04794	0.6
202.06354	0.5
203.07085	2.4
205.04990	1.8
211.02454	23.1
212.02861	1.0
235.06088	0.6
245.08264	3.8
271.04572	33.3
272.04910	1.5
289.07169	14.2
290.07465	1.1
299.07584	0.8
313.05545	0.8
331.08276	7.2
335.13434	9.6
345.22263	0.5
361.09302	0.8
415.12549	0.5
424.09717	3.8
425.09534	0.6
451.12427	7.0
452.12354	0.7
469.13406	1.9
487.14523	100.0
488.14877	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	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
57.03450	1.5
57.73913	0.5
58.00578	1.3
59.01378	24.1
61.98825	3.9
69.03442	0.7
71.01373	14.6
71.60524	0.9
71.60930	0.7
72.99301	1.4
73.02935	0.9
79.01879	0.8
81.03447	1.3
81.74113	0.7
82.95422	1.3
83.01380	2.2
83.05013	0.9
85.02939	3.1
87.00886	1.1
89.02440	16.1
93.03450	1.4
95.01361	1.8
95.05013	0.9
96.96015	4.9
97.02930	2.2
99.00845	0.7
101.02435	13.4
107.01368	2.4
108.02200	0.6
109.02937	7.1
111.00859	2.6
111.03814	0.7
111.04487	2.8
113.02465	5.6
117.03444	0.6
119.03490	7.0
121.02949	1.9
123.00883	5.6
123.04520	5.2
125.02433	22.4
126.02765	0.7
134.03770	1.0
135.04520	1.7
136.98814	1.0
137.02438	6.0
139.00378	6.2
139.04025	2.0
140.01164	1.6
145.02922	2.1
146.03693	0.9
149.02423	2.6
151.00391	3.7
151.04001	3.6
154.02718	5.3
155.03531	0.9
155.07127	1.8
159.04443	1.1
161.02460	2.6
161.04611	1.2
161.06058	1.5
162.03133	0.7
163.03979	1.6
164.01077	0.7
165.01926	3.1
165.05542	0.8
167.03468	2.7
168.00606	5.1
169.01411	21.9
169.05023	6.6
170.01805	1.2
173.08182	2.5
175.03995	0.9
179.03540	3.4
179.05521	0.7
179.07114	0.8
187.03986	1.1
188.04768	1.1
201.05473	0.6
203.07115	4.5
205.05060	3.3
211.02455	24.7
212.02699	0.7
221.04459	1.0
227.07097	0.6
245.08124	6.3
247.06044	0.8
258.31595	0.6
259.02939	0.7
271.04547	36.9
272.04849	0.7
278.41693	0.6
289.07159	32.4
290.07498	2.5
299.07614	2.1
313.05887	0.7
331.08325	14.7
332.08252	1.0
335.13486	10.5
361.09152	2.0
379.37488	0.7
424.09546	7.0
451.12387	16.9
452.12704	1.1
469.08517	1.3
469.13757	2.5
487.14511	100.0
488.14850	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	487.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03444	0.6
58.00582	0.8
59.01379	33.9
61.98801	2.0
67.01871	1.0
69.03465	0.7
71.01378	11.9
71.60565	0.8
72.84976	0.5
72.99293	1.4
73.02940	4.4
74.99097	2.5
75.00810	0.6
81.03448	0.6
83.01370	2.4
85.02946	4.8
87.00887	2.7
89.02446	6.3
90.42641	0.7
95.01360	2.0
95.15397	0.5
96.95993	5.5
97.02942	0.9
98.95570	1.8
99.00861	1.4
101.01879	0.7
101.02449	8.6
107.01350	1.8
111.00856	1.8
113.02435	4.2
114.21062	0.6
117.20247	0.6
119.03471	1.9
119.04970	1.7
123.00875	10.4
124.01649	1.2
125.02444	12.6
127.11276	0.8
133.06544	0.9
135.04515	12.2
136.99039	2.1
137.09685	1.2
139.00360	3.7
140.01094	1.9
141.01944	1.4
143.03432	0.7
145.02951	3.0
147.04446	0.7
149.04520	0.5
151.00359	7.3
153.01866	0.6
155.10745	1.7
161.02467	0.6
161.04517	1.3
163.03976	0.8
163.11229	2.0
167.03531	0.5
167.07181	0.6
167.98763	0.8
168.00600	1.7
169.01407	8.7
173.11819	17.2
179.03473	10.4
179.05046	0.9
179.05583	0.6
179.10654	0.7
187.11220	1.3
195.06667	1.0
205.12268	2.0
211.02502	0.6
233.11722	1.0
243.04779	0.8
265.14307	1.4
282.08908	1.6
283.09613	1.3
293.08447	2.2
294.08914	0.7
295.09583	1.2
307.08237	2.6
309.11340	0.6
311.09167	1.1
313.05615	0.7
314.07849	1.0
317.15845	1.6
326.11584	2.5
327.12143	2.3
335.17102	38.2
336.17343	2.5
340.09558	1.0
341.13837	1.6
355.11813	5.3
369.13278	1.2
427.19705	0.8
429.15414	1.1
443.13126	0.9
457.14752	4.5
469.17291	2.7
472.17352	5.4
486.74771	0.7
487.18448	100.0
488.12100	0.9
488.18704	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	487.3053
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
52.48798	0.5
56.47637	0.5
59.01381	1.2
62.65883	0.5
68.43462	0.5
69.38245	3.3
79.95730	1.6
96.96018	1.0
149.02399	0.9
165.05579	0.9
259.02725	0.7
302.44217	0.6
451.32794	1.7
459.27838	0.6
487.13333	2.5
487.30515	100.0
488.30853	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04232	0.3
55.84293	0.3
57.03419	0.3
59.01368	0.7
60.99308	0.4
61.98803	0.4
62.01953	0.3
69.03405	0.3
97.06584	0.5
159.19952	0.3
160.84177	0.4
205.15955	7.6
207.17445	0.6
217.15953	0.7
221.15491	0.5
233.15350	0.4
235.17075	2.3
236.69836	0.3
237.18446	0.4
249.14963	2.3
251.16518	3.5
273.18539	0.4
279.15738	0.4
285.18741	0.3
287.20175	0.8
289.21780	0.6
376.46802	0.3
397.30981	0.6
407.33719	0.4
409.31378	1.6
423.32721	2.7
424.33231	0.5
425.34265	13.0
426.34525	1.3
441.33740	4.5
443.35205	1.2
457.33331	1.5
469.33115	2.1
487.34314	100.0
488.34647	10.6
489.00470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49359	0.6
55.90680	0.6
58.81017	0.7
59.01373	1.8
61.26083	0.8
61.98848	0.8
70.85693	0.6
70.90407	1.8
71.05034	0.7
92.37685	0.6
95.82900	0.6
106.36533	0.6
113.14490	0.8
133.67580	0.6
151.52124	0.7
206.96454	0.6
221.15584	0.8
233.79446	0.7
251.46651	0.7
379.02219	0.8
397.31198	1.4
407.29562	2.3
409.31186	1.8
423.32794	3.7
425.34619	3.9
427.32227	1.6
443.35388	2.2
455.34357	2.9
459.35150	1.4
469.33719	3.6
469.39255	0.8
487.34366	100.0
488.34552	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	487.3426
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
51.55507	0.2
57.03439	0.2
59.01377	0.5
71.05009	1.7
97.06593	0.9
111.37036	0.2
120.56784	0.3
123.11191	0.2
169.78909	0.2
237.15132	0.3
389.28488	0.7
407.29364	1.2
423.32663	10.5
424.33038	1.1
439.28308	0.6
441.32819	0.3
443.31754	0.4
455.31506	0.8
469.33176	100.0
470.33554	9.8
487.35132	5.2
488.34634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99294	0.9
62.32668	0.4
68.85825	0.4
70.81557	1.0
70.87144	0.4
71.05003	0.5
78.11120	0.4
95.71998	0.4
97.06584	4.6
100.79768	0.4
131.30862	0.4
188.12115	0.4
191.14410	1.5
289.28583	0.4
297.26300	0.5
312.73721	0.4
369.95898	0.5
374.26193	0.6
377.28369	0.7
389.28500	1.8
391.30118	3.0
405.31567	6.4
407.33304	9.0
408.33572	0.7
409.30841	1.2
423.33157	2.3
425.34467	0.9
437.30673	0.9
439.32254	0.8
441.33694	17.8
442.34174	1.1
449.30667	1.4
451.32095	16.1
452.32333	1.5
453.33688	100.0
454.34033	10.8
454.44083	0.6
467.31512	3.2
469.33234	3.4
471.34653	1.4
487.34338	8.0
497.32803	1.7
513.32263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
56.27565	0.2
56.57311	0.1
57.01348	0.2
62.69888	0.1
64.24184	0.1
70.90366	0.3
70.90743	0.3
112.00304	0.2
132.66063	0.2
141.50839	0.2
177.97572	0.2
261.18628	0.5
273.18668	0.2
275.16483	0.2
289.21603	0.2
291.19577	0.3
324.87961	0.2
393.27811	0.3
395.29160	0.4
397.31064	1.4
405.27826	0.7
407.29468	3.0
409.31107	2.6
411.28735	0.2
413.33990	0.3
423.32587	4.0
424.32938	0.3
425.34302	3.5
426.34836	0.2
427.32034	1.6
441.33591	0.6
443.35471	1.3
469.33170	3.7
470.33786	0.2
487.34253	100.0
488.34595	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12938	0.5
70.59508	0.8
71.05011	1.7
95.05035	0.9
96.69048	0.4
97.06612	0.7
104.52525	0.4
165.32651	0.4
173.79886	0.5
193.71562	0.4
195.40933	0.4
269.54147	0.4
379.30048	1.7
388.28516	0.6
403.29907	1.0
405.31674	1.3
413.30573	1.2
423.32626	0.9
425.34341	0.8
449.30518	5.3
451.32123	1.6
464.88593	0.4
467.31595	12.9
468.31894	1.1
469.33160	100.0
470.33505	10.8
487.35150	5.4
488.34570	0.7
513.32111	11.2
514.32550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.48435	0.2
53.84604	0.2
53.95666	0.2
70.42681	0.2
70.43005	0.5
79.96490	0.2
81.21419	0.2
97.06577	0.3
101.71513	0.2
127.26150	0.2
146.78978	0.2
162.65828	0.2
186.69553	0.2
240.50230	0.2
247.17224	0.3
261.18625	1.2
273.18600	0.5
289.21710	0.3
291.19559	0.4
393.27890	0.5
395.29504	0.5
397.31042	3.0
398.31610	0.3
405.27966	0.4
407.29599	1.4
408.29721	0.2
409.31100	1.9
411.29007	0.7
413.34030	1.0
423.32785	1.8
424.32553	0.2
425.34775	1.5
427.32162	3.5
428.32706	0.2
441.33801	1.7
443.35385	1.8
469.33371	1.1
471.31097	0.3
472.86569	0.2
487.34244	100.0
488.34583	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.0
59.98525	1.4
60.99296	6.1
63.20146	1.0
69.86156	5.0
71.05029	1.2
76.17990	0.8
83.05037	1.1
90.67626	0.8
97.06590	4.2
98.20614	1.5
106.83210	0.9
111.08116	0.9
123.22851	0.9
129.97655	0.9
147.75285	0.9
180.03696	1.0
189.12878	1.1
191.14391	8.2
203.14325	2.7
221.15486	10.1
296.63516	0.9
337.47995	1.0
361.52579	1.0
389.28088	1.3
391.30234	2.0
393.27966	3.0
405.31808	6.5
407.29175	1.2
407.33411	10.6
408.33908	1.3
409.31067	18.0
409.36169	1.1
410.31787	1.0
421.31656	1.0
423.32779	5.3
425.34238	16.3
425.39551	1.5
437.30435	2.1
439.32391	1.6
441.33667	23.6
442.34064	2.0
443.35126	1.4
451.32181	3.9
453.33636	12.1
467.31570	16.7
468.31763	1.4
469.33188	6.4
487.34329	100.0
488.34723	9.2
513.32391	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01371	1.3
61.98834	0.5
66.60860	0.5
66.80947	0.5
69.33579	0.9
69.33989	3.1
71.05022	3.3
82.70869	0.5
95.05016	1.5
97.06588	2.2
98.20581	1.0
109.06602	0.7
113.85099	0.5
115.89194	0.5
121.06580	0.5
123.08175	0.7
135.08179	0.5
163.07622	2.5
177.09149	0.5
182.79530	0.5
187.14929	1.7
189.12843	0.9
193.80582	0.5
203.14404	1.8
205.15945	2.1
207.17416	0.6
216.11635	1.0
223.16951	0.5
231.13885	8.6
237.18607	0.9
249.14943	18.1
250.15276	1.0
251.16505	0.6
301.56601	0.5
427.32190	5.8
428.32391	0.9
443.35666	3.2
469.33099	0.8
487.34262	100.0
488.34549	10.2
504.95154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	bayogenin
Peak:m/z	Relative Intensity
58.76244	0.2
59.01394	0.4
62.34809	0.2
69.30343	1.9
86.05584	0.2
86.14365	0.2
89.04678	0.2
97.06584	0.2
111.08183	0.6
119.16766	0.2
158.75435	0.2
207.17545	1.0
219.14272	0.2
219.17566	0.2
223.20638	2.3
233.34367	0.2
251.16466	0.3
325.49265	0.2
379.30261	0.2
381.31601	0.4
383.29401	0.5
397.34601	0.6
399.36279	3.6
400.36304	0.3
407.33255	1.5
409.30954	0.4
415.35730	0.4
423.32730	0.3
425.34460	1.7
427.32214	1.0
443.35263	38.3
444.35651	4.4
453.42453	0.2
469.33047	2.4
487.34235	100.0
488.34586	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.32983	0.7
57.03440	1.9
59.01368	2.4
59.72391	0.7
61.78715	0.7
61.98816	2.0
71.55222	0.8
80.68644	0.7
82.11630	0.9
95.05003	0.8
97.06615	0.9
103.21560	0.8
103.85152	0.7
108.90071	0.8
151.36487	0.8
207.17494	6.6
220.69577	0.7
261.14926	2.0
279.15948	2.5
286.19232	1.0
304.29083	0.9
377.11987	0.8
381.31445	0.8
413.34219	0.9
423.32675	1.6
425.34229	3.0
441.33582	3.4
443.35400	4.1
451.32654	1.0
454.30737	1.0
455.34528	1.0
459.34598	3.6
469.33289	1.7
472.32449	0.9
480.36200	0.9
487.34283	100.0
488.34619	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	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.54658	0.2
54.66372	0.2
55.89928	0.2
60.99297	0.5
61.98816	0.2
67.32717	0.2
73.02930	0.4
87.41482	0.2
113.06010	0.2
207.17488	0.3
249.14969	0.2
279.15994	0.4
375.26651	0.2
379.29974	1.3
391.30130	1.0
393.28040	2.0
394.28430	0.2
395.33215	0.4
407.33475	1.6
409.31067	16.3
410.31326	1.3
425.34286	10.9
425.40179	0.3
426.34848	1.1
427.32172	0.3
441.33661	0.9
453.30182	0.2
460.41632	0.2
469.33215	5.5
470.33340	0.4
487.34247	100.0
488.34653	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	487.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26413	0.5
56.68642	0.5
59.01386	1.2
61.98788	0.6
63.39299	0.5
69.44656	1.7
69.45086	2.3
76.69579	0.5
86.60622	0.5
95.63638	0.5
98.20663	1.0
99.00713	0.5
115.77304	0.6
124.24615	0.5
125.09698	1.7
127.11272	6.6
137.09708	0.6
139.11227	0.8
143.10751	0.6
144.28619	0.5
155.10771	3.6
156.10957	0.5
157.12274	2.2
171.10219	3.3
173.11809	44.5
174.12152	0.8
175.11256	0.7
178.51385	0.6
182.74623	0.6
187.13283	0.6
191.14366	2.0
195.13901	0.7
201.11298	0.8
214.82332	0.6
235.13300	0.7
295.22482	1.0
311.22107	0.8
313.23856	7.9
329.23285	4.0
331.24869	44.7
332.25076	2.5
383.28894	0.8
423.32388	0.7
443.31323	3.2
457.33179	1.6
487.36542	100.0
488.30020	1.2
488.36896	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	488.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36013	3.5
59.01105	4.6
59.01378	82.9
61.98826	100.0
68.47240	3.7
69.52191	23.4
72.99296	4.9
74.46284	3.4
84.04018	4.3
94.27454	3.5
96.96011	49.7
98.19898	8.6
136.93954	10.4
145.00798	4.0
174.98177	5.2
178.95055	9.9
198.98302	22.3
201.02553	42.0
202.02713	39.7
203.02293	35.8
203.99989	49.1
204.02666	8.7
208.93405	20.7
216.99275	7.1
223.91168	3.9
248.86884	6.0
324.83472	8.5
336.83340	13.9
337.33478	4.8
337.83359	9.0
338.33496	4.3
344.03857	20.0
344.82431	17.4
345.03561	19.6
345.32315	15.2
345.82370	37.7
346.01031	19.3
346.04175	13.1
346.32144	12.7
346.82230	6.3
367.80887	7.4
368.30676	7.6
368.80771	4.0
372.95892	4.5
375.79538	6.2
376.29623	12.1
376.79443	25.6
377.29691	11.2
377.79587	9.2
386.83380	9.6
395.86185	4.1
407.78934	4.4
416.27396	7.4
416.77588	6.0
425.28156	10.2
425.78339	25.1
426.28278	10.3
427.29510	5.6
434.28680	10.0
434.78604	32.1
435.28418	17.5
435.78580	5.5
437.77594	4.4
457.83942	5.1
467.76874	6.8
478.74734	4.5
479.29636	8.0
487.28366	4.6
487.78409	31.8
488.28180	17.5
488.77670	11.9
496.79300	6.6
497.28412	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	488.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
68.33477	0.7
68.99830	1.0
69.33437	1.1
69.33848	4.2
70.78512	0.6
85.02951	2.9
87.00860	1.3
94.56058	0.9
98.20660	1.2
101.02441	3.8
102.02750	1.2
102.05604	36.1
128.03528	27.9
145.01424	8.3
145.06168	2.8
146.01762	2.8
146.04587	100.0
147.04878	2.1
148.29956	0.7
180.56578	0.6
191.05600	32.5
275.32141	0.8
352.56601	0.7
434.04773	0.7
487.86569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21328	1.0
50.97870	0.8
57.03457	1.5
59.01379	12.9
61.98830	3.6
71.01381	8.7
71.59608	1.4
71.59991	1.0
71.91745	1.0
72.99327	2.0
73.02951	2.7
75.00867	1.4
82.95411	3.3
85.02948	5.0
87.00880	1.9
87.60268	0.9
89.02437	4.8
95.01419	1.7
96.95989	6.1
98.95493	1.2
99.00874	2.0
99.04526	1.0
101.02432	4.5
107.01381	3.9
109.02977	1.2
111.00876	2.1
113.02422	6.6
119.03510	1.4
119.04990	1.2
123.00881	12.5
123.04494	1.5
123.84416	1.0
124.01646	10.4
125.02444	29.3
131.03435	1.1
133.47089	0.9
136.05252	1.2
136.98865	1.4
137.02386	2.8
138.03210	2.5
139.00395	4.3
139.04041	4.8
140.01154	3.7
145.02879	1.5
147.04471	2.8
149.04552	1.1
150.03206	0.9
151.00375	5.7
151.04019	1.3
154.99702	1.0
161.02455	2.0
161.04547	1.5
161.73602	0.9
162.03220	3.0
163.04016	1.4
165.05545	2.7
167.03487	1.0
168.00635	6.0
169.01411	38.0
177.05547	3.8
179.03493	1.5
179.05627	1.7
180.04292	3.4
181.05092	1.0
181.08707	2.0
183.02950	3.8
183.06573	1.1
195.06610	5.1
199.13292	0.9
211.02399	1.7
249.06166	3.0
267.07153	3.1
285.06262	0.9
297.06134	1.9
313.05579	8.1
415.12677	2.3
453.10333	100.0
454.10745	7.0
489.16068	17.2
490.16162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1036
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01373	7.5
63.02390	0.4
65.00305	0.4
69.52203	1.7
72.99307	0.4
73.02961	0.4
74.94193	0.3
79.95713	0.2
82.33181	0.2
83.01385	0.5
85.02934	0.5
89.02441	1.2
93.03426	1.3
96.96009	3.1
98.19777	0.4
98.95581	0.3
101.02435	1.0
102.98576	1.5
107.01367	1.9
108.02132	0.3
109.02968	0.6
113.02451	0.6
117.03507	0.4
119.03485	0.3
120.99570	0.3
125.02446	0.4
131.05026	0.3
132.01254	0.3
132.02127	1.4
134.71616	0.3
135.00851	1.1
137.02394	0.3
141.07159	0.3
143.04991	0.6
145.02968	0.3
151.00391	1.9
153.01897	0.3
154.04234	0.3
155.04990	0.3
157.06503	0.6
159.04472	1.1
161.04601	0.6
163.00394	2.2
165.01926	0.6
167.04948	0.5
169.06598	0.7
171.04491	0.6
171.08548	0.3
177.01918	0.9
179.10748	1.2
183.04482	0.9
184.61340	0.3
185.02489	0.4
185.06041	2.1
186.75604	0.3
187.03952	2.0
189.05472	0.7
190.99852	0.3
195.04424	0.7
197.06024	0.9
199.03993	1.3
200.04816	0.5
201.05511	0.3
205.12254	0.4
211.03984	2.6
213.05527	1.2
214.02515	0.3
227.03468	28.3
228.03825	1.3
228.23972	0.3
229.05014	9.4
230.05276	0.4
239.03474	2.0
240.04149	0.7
241.04947	1.3
255.02957	62.2
256.03500	5.4
257.04538	5.2
267.02948	0.5
267.15842	0.4
283.02460	0.9
283.10394	0.8
284.03235	81.1
285.04001	100.0
286.04355	4.5
293.08743	0.5
327.05145	0.7
385.18512	0.4
489.10312	48.9
490.10590	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	489.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03438	3.0
59.01377	23.5
69.95122	4.9
71.01382	26.1
71.05015	2.0
72.99308	3.9
73.02939	4.6
75.00861	6.3
79.95715	1.9
82.95382	1.0
83.01409	5.4
83.05059	1.0
85.02944	10.8
87.00874	36.6
89.02417	4.6
95.01380	3.0
96.96014	7.2
98.95588	4.0
99.00874	2.9
101.02454	4.5
102.98597	1.0
103.00381	1.7
111.00867	8.1
112.98795	1.2
113.02444	13.8
115.00368	58.6
119.03487	1.1
123.00896	1.5
125.02439	4.4
126.01884	0.9
139.00368	15.1
146.06085	1.1
151.00346	2.1
151.11305	4.8
157.01424	26.5
165.05608	1.3
169.01433	3.7
174.05553	1.2
175.02466	100.0
176.02882	1.1
177.09221	1.3
180.04271	1.2
181.08739	1.1
195.06592	1.3
225.07646	4.2
226.12332	2.8
240.08965	1.3
241.07341	1.2
249.06149	8.5
267.07208	19.9
268.07471	1.2
269.12881	11.9
297.12372	1.2
299.14078	1.7
312.09976	1.0
313.11954	15.3
314.00662	1.4
327.12540	3.1
329.03070	1.3
343.13000	3.0
371.12421	7.6
373.14084	2.1
385.14301	1.3
409.13995	8.6
415.12585	1.1
421.68408	1.0
424.95654	1.0
427.15070	15.1
429.13031	4.8
434.78809	1.2
441.13315	1.5
445.17197	2.8
451.12717	5.5
453.13251	2.2
471.14246	1.3
489.15451	28.8
490.15860	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	489.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46539	1.2
54.83267	1.3
57.03437	6.3
58.00567	1.5
59.01379	45.2
61.98819	1.7
64.76397	1.2
69.03443	2.4
71.01003	2.3
71.01379	34.0
71.05028	10.6
71.59753	2.1
72.99306	7.5
73.02937	5.7
75.00871	20.6
83.01363	2.1
85.02943	31.2
87.00876	13.1
89.02430	10.7
93.03446	3.2
95.01391	8.6
95.05007	3.0
96.96000	6.4
97.02924	2.6
99.00863	13.0
99.04522	3.4
101.02443	7.8
103.00339	3.1
103.03978	1.5
111.00860	1.7
113.02446	47.4
115.00336	2.3
117.01919	3.1
121.03010	1.2
121.06602	8.3
129.01910	3.2
131.03522	2.6
151.11276	25.1
161.04521	2.5
163.06149	2.9
165.05493	3.3
168.00522	1.8
175.02473	3.0
177.09204	6.0
183.02974	2.3
195.06651	1.5
195.10197	7.1
205.07079	2.2
207.05060	2.5
212.69044	1.2
217.73286	1.4
225.14980	1.5
239.11105	2.7
249.03743	2.6
249.06139	29.0
262.89423	1.3
267.07196	92.6
268.07367	3.1
281.99957	1.6
369.19006	1.5
387.20505	1.7
415.12543	8.9
427.15970	1.7
445.17056	18.2
446.17532	1.8
453.23422	1.7
471.14545	2.1
488.30804	3.7
489.16043	100.0
489.30292	33.8
490.16498	7.3
499.00070	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
58.00597	1.3
59.01377	27.8
61.98828	2.8
68.99811	1.5
69.03450	2.3
70.27402	0.7
71.01379	22.3
71.59292	1.0
72.99312	5.7
73.02943	8.1
75.00874	12.7
76.45101	0.9
79.95714	1.4
81.03457	1.7
82.95378	1.2
83.01393	1.5
83.05030	3.2
84.95139	0.9
85.02950	16.5
87.00870	7.8
89.02439	12.8
91.83090	0.7
93.03458	1.7
95.01366	4.2
95.05031	1.7
96.95998	5.1
97.02937	2.8
97.06586	2.4
99.00870	7.9
99.04513	1.1
101.02440	7.8
103.00360	1.7
107.04990	2.8
109.02946	1.8
109.06590	1.2
111.96813	0.8
113.02448	18.0
113.03233	0.9
115.00355	2.0
117.01951	1.8
117.03510	1.2
117.04760	0.9
119.03510	2.1
119.05009	1.4
121.03015	1.1
121.06572	1.1
123.00848	1.2
123.04529	1.9
125.02409	2.6
127.04052	0.9
129.01979	1.2
131.03496	5.6
132.02170	2.4
133.02921	0.9
133.10249	3.3
134.03740	7.2
135.04507	2.4
139.00375	0.9
141.05588	1.2
145.02983	1.1
147.84012	0.9
149.02429	1.7
149.04553	5.9
149.05948	1.5
150.03246	4.1
151.06096	1.4
151.11263	4.7
160.01651	11.1
161.04556	2.5
161.05888	0.9
163.04036	0.9
164.04726	1.3
165.04289	1.7
165.05550	12.3
166.99806	1.3
167.03491	1.2
169.01376	2.1
175.02469	2.5
175.03967	16.3
176.04517	0.9
177.01944	1.8
177.09239	6.7
191.05577	3.1
191.07111	1.7
193.05058	10.4
195.06593	3.1
195.10277	3.5
198.45181	0.9
211.07727	2.0
221.08228	1.5
231.05089	1.4
235.06145	3.4
239.09171	9.6
239.11238	0.9
249.06123	21.0
267.07196	14.0
267.12662	1.1
267.16037	1.0
321.29996	1.1
323.13876	0.8
327.10791	3.7
357.15533	2.1
391.12311	2.5
471.15131	1.6
489.16156	100.0
490.06226	0.9
490.16171	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	489.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03433	1.0
58.00595	2.4
59.01375	100.0
61.98823	1.7
64.10571	0.8
69.03453	1.3
71.01377	25.5
71.04955	0.8
72.99300	3.3
73.02941	27.3
75.00879	0.8
83.01379	2.4
85.02946	10.5
86.00120	1.5
87.00875	7.1
87.04515	4.5
89.02439	24.1
95.01374	1.4
96.96040	4.2
97.02960	1.2
99.00903	1.1
101.02436	46.1
103.04000	21.2
107.01353	1.5
109.03025	0.8
111.00888	1.3
113.02441	5.9
115.03996	6.5
119.03492	10.1
120.99625	0.8
124.01723	0.8
125.02436	8.7
126.40340	0.7
127.04048	0.9
131.03482	7.2
135.04514	5.5
140.01172	1.0
143.03496	10.6
145.05087	6.5
161.04587	1.4
163.06111	77.5
164.06448	1.4
168.00647	3.4
169.01405	9.4
179.05525	1.3
183.02965	1.0
205.07156	21.3
205.09027	1.4
206.07521	0.9
209.62894	0.7
211.02483	14.6
225.04025	0.8
229.50523	0.8
239.10893	1.4
249.87012	0.8
265.09253	8.2
267.16119	1.5
271.04608	13.8
285.06369	0.8
293.04333	1.0
328.35660	0.8
337.15015	5.3
369.19296	2.8
387.20364	1.3
429.17465	11.6
489.15756	23.6
490.16483	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	489.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01731	0.5
67.37037	0.2
69.22112	2.6
71.01388	1.1
73.02941	0.6
73.08705	0.2
79.39953	0.2
85.02934	0.4
88.98801	0.2
89.02459	0.7
90.95316	0.3
96.95975	0.6
101.02460	0.8
113.02460	0.5
115.26830	0.2
120.99654	0.7
160.47362	0.2
179.10860	0.8
184.39326	0.3
249.06136	0.3
267.16171	0.5
283.10342	0.5
408.26633	0.2
419.26593	0.3
489.17737	0.3
489.23883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89777	0.7
57.03445	2.2
59.01377	69.3
60.01710	0.9
61.98837	5.1
71.01379	10.1
71.05029	0.8
73.02947	3.0
75.00869	1.5
79.95746	0.8
83.01395	1.2
85.02946	4.2
87.00857	1.1
89.02439	3.5
93.03456	0.7
95.01398	1.0
96.96005	5.1
98.19901	2.8
99.00909	0.8
99.04519	0.9
101.02451	4.9
101.06080	1.5
102.54253	0.7
105.77724	0.7
109.02911	0.8
109.06599	0.8
111.08112	0.7
113.02447	4.0
119.03516	1.5
120.99650	2.5
125.02448	1.2
137.02528	0.7
139.11288	17.1
142.06587	1.7
143.06947	1.0
145.02953	3.2
151.03966	1.2
153.09203	1.7
155.10919	0.8
161.04559	1.5
163.11305	2.1
165.09268	0.8
167.10800	0.8
169.12373	1.2
175.49309	0.7
179.10793	1.3
181.12312	7.6
183.10254	21.8
189.01877	0.8
195.06657	1.7
195.13885	0.7
199.13118	0.7
223.02397	0.9
225.11324	5.6
227.03490	9.2
228.03944	0.8
235.07271	0.7
243.12480	1.6
255.03018	13.1
256.03604	1.5
284.03256	9.6
285.04031	2.7
297.12503	0.9
309.20569	0.8
394.03009	0.7
409.05746	1.3
429.21411	1.1
471.22391	6.0
489.11575	12.9
489.23438	100.0
490.10760	0.9
490.23959	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	489.358
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01378	4.0
59.22639	0.8
61.98830	1.5
71.15732	1.8
71.16092	0.8
72.98884	1.3
72.99302	24.6
77.75155	0.8
82.57175	0.7
109.91595	0.7
235.17030	2.9
237.18594	1.6
253.18095	3.5
281.17548	35.7
282.17789	1.6
283.19116	2.5
489.35883	100.0
490.36292	9.3
513.62830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3581
Annotation	Armatinol B
Peak:m/z	Relative Intensity
59.01365	0.4
61.98827	0.2
69.34270	0.3
69.34665	1.3
71.01374	0.2
75.17097	0.2
82.97467	0.1
97.06570	0.2
99.68221	0.2
183.79230	0.2
195.13890	0.2
219.17397	0.4
223.17032	0.2
249.18530	0.5
259.17014	0.5
275.16489	0.2
275.20151	0.2
277.15051	0.2
277.18045	3.2
287.20175	0.3
291.19687	0.6
293.21149	1.8
294.02783	0.2
305.21063	0.4
401.47495	0.2
411.32599	1.1
413.30246	0.2
427.35858	7.5
428.36032	0.9
429.33725	5.7
430.34265	0.5
445.37231	1.0
489.35825	100.0
490.36191	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	489.3584
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01371	0.3
65.33720	0.1
65.67432	0.1
69.26622	0.3
69.27045	0.8
71.96320	0.1
83.05035	0.2
93.57544	0.1
96.35692	0.1
97.06604	0.2
157.61823	0.1
205.16205	0.1
224.87015	0.1
231.17416	0.1
249.64105	0.1
257.19153	0.3
272.17734	0.1
273.18512	0.6
299.23569	0.1
323.23737	0.1
363.26630	0.1
377.28760	0.2
381.27814	0.2
391.26352	0.5
393.27737	0.7
395.29520	1.6
396.29984	0.2
407.24670	0.2
407.29565	2.7
408.29840	0.2
409.27325	5.8
410.27759	0.5
411.32730	0.4
423.28867	2.3
423.33777	0.2
424.29352	0.2
425.30600	12.6
426.30698	1.1
437.30682	0.4
441.33936	0.6
443.31512	0.5
445.33517	0.2
455.31516	0.3
457.29468	1.6
458.30106	0.1
459.34552	0.4
461.36197	0.2
471.30997	0.1
473.32681	16.7
474.32977	1.5
485.70621	0.1
489.35815	100.0
490.36185	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	489.3582
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
52.32362	0.7
57.03440	0.9
59.01372	3.1
59.75203	0.7
71.07972	0.7
71.15960	1.8
72.99303	20.1
73.02946	0.8
154.09988	0.7
202.15079	0.9
205.15768	0.7
207.17534	2.0
235.16971	3.3
237.18445	1.3
281.17590	20.0
282.17920	1.4
283.19208	2.3
445.36871	9.0
489.35828	100.0
490.36288	10.6
498.18423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3581
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
50.15252	0.2
55.78125	0.2
57.03447	3.6
59.01368	0.4
61.98828	0.4
71.58327	0.3
71.58688	0.3
97.53412	0.2
123.08172	0.5
129.12834	0.2
239.95184	0.2
301.31207	0.2
353.28363	0.6
385.31085	0.3
395.29517	2.9
396.29428	0.3
411.32617	4.8
412.33029	0.4
427.35748	20.0
428.36118	1.8
429.33844	0.5
445.36832	7.6
446.37244	0.5
448.45840	0.2
471.34744	4.2
472.35260	0.4
489.35825	100.0
490.36209	9.9
490.41751	0.2
508.89722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3583
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
58.73765	0.6
58.82657	0.5
59.01373	1.2
61.98811	0.6
69.33495	4.7
72.99305	35.4
74.28709	0.5
75.93377	0.5
81.56367	0.5
110.76888	0.5
161.33647	0.6
181.17284	0.6
205.15938	0.7
207.17535	2.6
221.15446	1.6
235.17009	4.6
237.18469	1.5
263.16592	0.8
281.17548	41.6
282.17883	1.9
283.19153	2.5
287.98734	0.6
352.03967	0.6
356.48239	0.6
489.35828	100.0
490.36160	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	489.3579
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01373	1.5
61.23735	0.6
61.98296	0.6
61.98827	1.6
69.40954	1.1
69.41378	3.5
71.05004	0.8
72.40150	0.6
72.99294	2.4
83.28382	0.7
98.19871	0.9
105.25401	0.6
117.43040	0.6
124.80009	0.6
167.89133	0.7
183.23784	0.7
205.15919	3.7
207.17497	2.7
217.15942	2.6
219.17522	1.5
221.15622	1.4
223.16939	1.4
233.15459	2.4
233.52347	0.6
235.16986	4.1
235.20721	1.1
236.41077	0.7
237.18535	3.3
251.16544	1.0
263.16434	1.0
268.26236	0.6
427.31882	0.9
489.35825	100.0
490.36121	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	489.358
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
50.51793	0.6
51.48784	0.7
56.87122	0.7
59.01374	1.7
71.60179	0.7
71.79917	0.7
72.99302	30.9
73.19952	0.7
158.89157	0.8
175.64328	0.7
205.16014	1.0
207.17586	1.8
221.15300	0.8
235.17006	3.8
237.18607	0.9
281.17554	25.6
282.17963	1.1
283.19180	2.8
427.35843	0.8
489.35809	100.0
490.36111	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	489.3583
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
56.02325	0.3
57.03487	0.4
59.01369	1.4
60.99297	0.4
64.79707	0.3
69.34962	2.3
71.05035	0.5
80.64580	0.3
85.02955	0.5
97.06583	0.8
98.19879	0.6
98.53715	0.3
137.09697	0.5
139.11383	0.8
151.11253	0.7
164.10400	0.4
165.09177	0.5
177.12918	0.6
187.14903	0.4
189.12863	1.0
191.14392	1.4
193.15956	2.5
203.14417	1.1
205.15944	12.5
207.17456	0.6
217.15971	1.1
219.13882	0.6
221.15428	1.8
223.17017	7.4
224.17314	0.4
233.15536	0.5
234.72733	0.4
235.17014	3.3
236.17474	0.4
253.18057	11.5
254.18523	0.8
259.16864	0.4
265.18054	0.6
277.18039	0.5
291.19632	0.6
373.69684	0.4
409.27106	2.0
410.28271	0.7
423.32675	1.0
427.32059	0.8
440.29257	15.3
441.29364	1.0
441.34360	3.1
442.34088	0.4
443.34906	1.3
445.37167	0.6
455.31943	1.5
459.34595	1.1
469.32275	0.7
471.34787	31.7
472.35172	3.3
487.34122	0.6
489.35834	100.0
490.36200	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0828
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01384	3.6
61.98811	0.5
68.53448	0.3
69.50798	2.2
71.01385	0.9
73.67749	0.4
73.79902	0.3
79.95729	1.9
84.97511	0.3
87.00840	0.3
89.02425	0.5
100.98421	0.4
101.02458	0.7
105.72839	0.3
124.51767	0.4
130.00595	0.5
135.43719	0.4
143.78773	0.4
145.99998	0.5
153.01958	0.5
161.04588	0.5
196.47609	0.6
197.12093	0.4
197.99541	0.9
203.98973	0.5
213.99039	0.4
241.98659	1.0
243.96646	0.9
244.46957	0.6
244.96718	0.6
254.99411	2.1
257.00931	1.1
269.98032	26.7
270.98462	1.5
282.98932	0.8
285.00406	14.9
286.00714	1.1
297.97522	56.8
298.71616	0.4
298.97937	3.8
312.99875	100.0
314.00238	6.0
328.02209	65.7
329.02515	4.4
357.15335	0.6
439.86502	0.4
476.05856	6.5
491.08286	87.5
492.08698	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	491.0828
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01365	2.0
60.49518	0.2
61.47935	0.2
61.98826	1.0
66.29726	0.2
67.57713	0.3
69.86227	0.3
71.01376	1.7
71.58958	0.2
72.99333	0.4
73.02954	0.7
75.00878	0.4
79.95721	0.3
81.03465	0.5
81.80029	0.3
83.01368	0.3
85.02958	0.8
87.00858	0.6
88.98807	1.0
89.02456	0.7
89.03960	1.8
95.01409	0.4
95.05027	0.3
96.96014	4.5
99.00872	0.4
101.02424	0.8
105.03456	2.7
106.57507	0.3
107.01389	1.0
108.02196	0.3
109.02921	0.4
113.02434	0.6
116.43636	0.2
121.02922	0.3
123.00854	0.7
123.04539	0.4
125.02438	6.7
133.02959	7.3
137.02512	0.3
139.00359	0.5
145.43796	0.3
148.01662	0.8
149.02431	1.0
151.00296	0.6
161.04604	0.3
165.05505	0.3
168.00682	0.3
169.01407	9.1
176.01164	1.4
177.01918	100.0
178.02290	2.9
179.10811	0.3
200.92482	0.2
220.25589	0.3
267.07095	0.6
297.97418	0.3
311.10635	0.3
313.00024	0.5
313.05649	8.0
314.06024	0.5
317.10934	0.3
328.02182	0.4
339.07169	20.2
340.07492	0.8
375.69336	0.2
429.14047	0.5
468.30084	0.3
491.08255	28.2
491.17352	2.6
492.08621	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	491.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80057	1.6
56.60662	1.5
56.98027	4.1
59.01103	2.1
59.01378	29.0
61.98830	16.5
63.95914	2.2
63.96235	22.7
67.90881	1.3
71.01371	12.5
71.57958	1.5
71.58366	1.3
72.99310	15.6
73.02952	3.5
73.98306	4.7
74.99094	29.6
79.95730	2.9
83.01373	2.1
85.02940	5.7
87.00867	10.7
88.98805	4.9
89.02437	10.6
91.99416	1.6
95.01395	1.6
96.96007	65.9
99.00888	3.6
101.02415	8.8
107.01347	1.8
111.00883	1.7
113.02464	7.0
116.92785	1.4
117.97289	14.8
118.98019	1.8
119.03436	2.0
122.03746	2.2
123.00854	3.0
123.04504	5.3
125.02428	8.8
125.49310	1.7
131.03474	2.5
135.04530	3.0
135.98355	95.3
136.99060	1.7
137.02399	2.9
138.03188	2.6
139.00327	1.6
149.02452	3.1
150.03223	71.6
151.00348	2.2
151.03958	1.8
153.05524	2.7
160.01602	5.5
161.02451	3.9
161.04544	4.8
162.03218	10.3
165.05559	100.0
167.03471	3.8
169.01424	7.3
175.03958	9.4
177.02016	3.1
177.05545	33.3
179.05605	1.8
179.07063	2.1
180.04253	8.8
183.02989	2.1
191.05731	1.5
192.99582	10.1
193.05058	4.1
194.00261	2.9
195.06609	68.2
196.06918	1.7
207.03000	2.1
208.01967	5.5
209.02745	23.4
223.04259	3.0
233.00513	1.4
241.05383	32.0
249.05840	1.8
267.07266	2.0
271.04391	1.8
275.02048	2.4
297.97504	2.0
312.99600	3.4
329.07095	8.1
359.13290	2.5
453.10223	12.7
455.11426	2.1
459.14883	2.1
491.11996	33.6
491.17981	7.5
492.12180	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	491.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
61.98833	3.7
63.96237	27.3
65.74334	0.5
69.31123	1.7
69.31546	3.6
71.01379	4.0
72.99306	21.5
73.02943	1.0
73.98320	5.7
74.99098	1.4
75.00885	0.6
80.96508	0.9
85.02945	1.0
87.00881	1.2
88.98813	2.7
89.02444	3.3
96.96006	8.8
98.19829	1.3
99.00883	0.8
101.02437	1.4
113.02470	1.3
117.97301	18.2
123.00862	1.1
123.04514	1.1
124.01645	0.7
125.02424	3.1
127.39468	0.6
131.03465	0.8
135.04518	0.6
135.98354	100.0
136.98676	0.8
137.02429	1.7
139.04002	0.8
149.02434	0.6
150.03227	1.3
152.17001	0.5
156.29105	0.6
162.03215	0.7
164.04803	1.3
165.05534	2.9
166.57764	0.6
167.03505	1.1
169.01425	3.1
179.05623	1.1
179.07121	1.4
191.78673	0.6
195.06604	1.5
197.04445	0.7
209.04503	0.7
211.04410	1.4
241.05460	0.7
249.06172	0.6
271.04535	0.7
301.00027	0.7
453.10193	6.5
455.10803	1.3
491.12112	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	491.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03436	0.8
59.01377	48.3
60.01699	1.6
61.01797	1.4
61.98817	2.3
65.00306	0.8
66.81059	0.7
70.46175	0.8
70.46527	2.2
71.01379	8.7
72.99307	1.2
73.02937	1.9
83.01382	1.3
85.02939	2.2
89.02425	4.2
92.02670	1.0
93.03454	42.7
94.03821	1.4
95.01364	1.8
96.96040	3.2
99.00869	1.5
101.02413	4.8
107.01386	1.1
107.05042	2.3
108.02148	2.6
113.02457	4.6
113.89581	0.6
119.03496	1.0
120.99700	0.9
121.02952	1.6
123.04526	2.9
125.02440	1.2
134.03738	0.9
135.04515	7.6
136.01656	24.8
137.02437	100.0
138.02754	1.8
143.03384	0.8
147.08107	0.8
149.02408	3.3
151.00362	6.7
151.04004	8.4
153.05553	2.4
155.10684	0.9
160.01674	1.2
161.04556	1.1
175.03957	2.2
179.03487	83.3
180.03723	1.6
181.12279	1.4
209.04561	19.1
210.04893	0.8
239.05597	61.3
240.05923	2.0
251.27019	0.7
269.17447	1.0
287.05582	6.1
287.76584	0.7
293.08817	0.8
298.98279	1.2
299.07654	7.4
300.08453	0.8
312.99667	1.0
314.00726	1.8
324.96924	0.7
329.02972	2.8
337.09216	1.5
371.13525	6.2
491.15543	68.5
491.21295	3.5
492.15900	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	491.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
63.03835	0.2
63.83846	0.2
69.03470	0.3
69.53844	1.4
69.54262	0.7
70.99850	0.3
71.01379	4.4
72.99292	0.3
73.02950	3.9
73.55950	0.3
75.00874	0.4
77.24696	0.3
85.02962	0.6
87.00876	1.9
89.02441	23.0
90.02811	0.3
92.27488	0.2
96.34519	0.2
98.20606	0.6
101.02462	0.4
103.04011	1.9
110.56693	0.3
119.81181	0.3
131.03500	7.0
149.04544	100.0
150.04892	1.6
165.04092	0.4
308.20325	0.3
337.01300	0.3
344.38962	0.3
414.80640	0.3
492.18631	0.3
508.03738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77469	1.0
55.01866	1.6
57.03444	2.7
59.01376	29.8
61.98838	7.0
64.47495	1.0
69.56646	6.6
71.01381	17.4
71.13713	1.0
71.83796	1.1
72.99300	3.6
73.02947	16.1
75.00867	10.4
77.00655	1.5
83.01384	1.5
85.02955	14.7
85.06074	1.0
87.00875	7.5
88.98811	2.9
89.02429	6.4
95.01401	3.9
96.96005	12.2
98.19885	2.2
99.00861	6.2
101.02454	4.3
103.00367	1.6
109.02971	1.6
113.02441	24.2
115.00382	1.9
117.01948	1.4
119.03419	1.3
120.99635	1.9
121.06580	3.9
123.04547	4.9
123.08186	2.7
129.01941	1.9
131.03545	1.2
133.02950	1.9
135.04562	1.3
137.09782	1.1
145.02954	2.4
149.02487	1.5
149.06042	4.2
153.05569	3.1
156.65280	1.0
161.02422	5.1
161.04669	1.2
161.06018	1.3
161.09669	1.8
163.04048	1.8
165.09172	1.0
175.02432	1.4
179.03561	1.9
179.10794	2.9
182.06128	1.2
183.10959	0.9
189.80836	1.2
197.11824	3.0
207.05157	1.2
249.06128	10.8
267.07178	39.8
293.86105	1.1
295.32196	1.0
315.14474	3.2
393.68665	1.0
417.14001	1.4
440.26053	1.3
455.11768	5.3
473.16736	1.5
491.17776	100.0
492.06418	1.9
492.18436	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	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69923	0.8
52.72382	0.9
53.37061	0.7
57.03452	4.3
59.01376	29.2
61.98833	7.5
65.33575	0.9
68.99819	1.3
69.03448	1.7
69.37317	5.1
70.45757	0.7
71.01375	22.6
71.05006	4.0
72.99309	4.4
72.99638	0.8
73.02937	14.8
75.00874	9.0
79.95728	12.3
83.01404	2.5
83.05026	2.1
85.02941	16.7
87.00876	6.2
88.98822	1.4
89.02432	8.4
91.00122	0.8
91.05492	0.8
93.03452	1.8
95.01360	4.9
96.95995	7.1
97.06572	0.8
99.00866	8.0
101.02459	5.1
103.00394	1.7
107.05016	1.2
109.02940	1.8
111.00886	0.9
111.04531	9.3
113.02440	22.5
115.00378	1.7
117.01937	1.7
120.99642	2.3
121.06589	3.0
123.04539	1.1
123.08154	1.7
125.02434	1.3
125.34052	0.9
129.01926	2.2
135.04529	3.5
135.11748	0.9
135.98347	2.1
137.09692	2.8
139.03935	0.8
143.03532	0.8
145.02881	1.1
149.04611	0.8
149.06049	1.7
151.04047	0.9
153.94545	0.8
157.01364	1.0
161.02437	1.1
161.03537	1.8
161.09694	2.1
175.02513	1.8
179.03580	1.1
179.07097	1.0
179.10751	5.9
181.08698	0.9
195.06693	0.9
196.47737	4.0
197.11801	10.9
203.98943	6.0
204.49046	1.9
205.05086	1.1
207.05110	1.3
223.09729	2.8
231.05104	1.2
241.10678	1.7
243.96759	8.3
244.46947	3.6
244.96716	2.7
245.46809	1.1
249.06107	14.6
254.99472	1.0
257.00952	1.2
267.07196	31.1
268.07574	1.0
269.98029	10.9
270.98691	2.9
285.00458	6.7
297.00308	1.6
297.97559	20.8
298.98166	4.8
299.02017	2.3
299.13870	1.0
312.99854	41.4
314.00311	5.9
315.14474	3.3
327.01514	2.7
328.02234	13.9
329.02823	3.8
329.15854	1.6
331.03436	1.1
335.17148	1.5
389.21548	1.4
390.41013	0.9
412.10461	2.4
417.13943	1.4
455.19525	1.4
461.03546	1.8
473.16528	2.0
476.05829	7.6
477.06305	1.0
491.08344	42.0
491.17654	100.0
492.07339	4.9
492.17612	6.4
509.60284	1.0
510.74530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82019	1.7
57.03419	2.2
58.00586	2.4
59.01375	100.0
61.00483	1.4
61.83779	1.5
61.98820	17.2
62.56077	1.5
69.03440	5.1
70.15228	5.4
71.01378	49.7
72.99300	5.4
73.02943	21.0
73.82430	1.5
75.00865	8.2
81.03444	4.6
83.01381	4.5
83.05023	1.8
84.95119	3.0
85.02945	23.8
87.00879	13.3
88.98784	9.7
89.02437	33.3
95.01393	3.4
96.96004	9.5
97.02939	8.8
97.06575	1.6
98.19983	2.5
99.00822	3.6
101.02435	37.6
102.98556	3.8
103.04003	24.2
108.02187	18.7
111.00805	2.6
113.02453	8.3
113.14353	1.4
116.92807	2.6
119.03483	12.1
120.01245	2.0
120.99666	7.6
123.04511	8.0
125.02439	37.5
127.03992	3.1
131.03540	2.5
135.35962	1.6
137.02448	2.3
138.01970	24.4
138.05598	14.2
143.03491	4.6
145.05040	5.7
149.02414	5.0
151.00345	1.7
151.04001	2.9
153.01917	3.5
161.02386	2.7
163.03979	2.0
163.06111	34.8
169.01401	3.9
171.12791	1.6
177.01932	8.0
179.05641	2.6
190.25766	1.7
191.05533	3.1
209.68399	1.5
247.08133	6.2
249.06171	2.2
267.07166	2.1
269.97922	5.8
285.00235	3.5
289.06796	2.0
297.97479	8.6
307.10321	38.9
308.10574	1.8
311.10410	1.8
312.99951	19.9
313.07013	2.8
313.59470	1.6
328.02280	12.8
331.00278	1.5
334.80920	1.6
355.08167	2.1
359.17416	1.5
369.15112	1.7
385.09332	3.1
431.15500	2.3
432.14871	6.6
491.07211	15.1
491.17398	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	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23349	0.5
55.01877	0.9
57.03442	2.9
58.00573	0.8
59.01377	31.9
59.24203	0.5
61.98829	2.4
68.99802	0.6
69.03444	0.9
69.55148	3.5
71.01379	12.3
72.97533	0.8
72.99307	2.7
73.02953	2.5
75.00866	7.5
81.03416	0.6
83.01367	0.9
85.02944	13.0
87.00866	6.3
88.98777	0.9
89.02447	4.6
93.03449	1.3
95.01388	2.1
96.96003	3.8
97.06583	1.4
98.20585	1.0
99.00881	6.9
99.04501	1.5
101.02429	1.8
103.00379	0.9
109.02956	0.5
110.05297	0.6
111.00925	0.6
113.02442	14.3
115.00357	1.9
117.01953	1.7
119.05049	0.6
119.08634	0.9
120.99641	2.9
121.02921	2.0
123.04527	1.7
125.02520	1.0
129.01942	1.3
135.04422	0.7
135.11728	0.9
135.98318	0.7
137.09714	6.9
147.04482	0.6
151.00371	0.7
157.01430	0.8
161.02402	1.6
161.09753	1.7
163.07622	1.2
172.05281	0.6
175.02443	1.7
175.03810	0.5
175.07661	0.6
179.10759	2.8
181.08679	3.8
190.06343	2.2
191.10768	0.6
197.11786	2.8
205.08694	1.0
219.10201	4.9
223.09767	0.9
231.05045	1.3
239.43625	0.6
241.10736	1.1
249.06102	12.2
267.07175	8.3
281.08157	0.7
309.08258	1.6
315.14600	2.7
328.99661	0.8
329.03326	1.7
429.17654	1.5
431.15500	1.8
431.22147	0.6
455.19357	13.6
473.16275	3.0
491.17679	100.0
492.18079	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82703	1.2
52.52702	0.9
55.74032	1.1
57.03441	2.5
59.01376	47.3
61.98827	10.7
65.77081	1.0
69.03420	0.9
69.40142	6.7
71.01379	10.1
71.05000	2.2
72.99295	1.3
73.02946	4.8
74.99090	1.4
75.00852	1.9
77.51625	0.9
79.95747	1.5
81.24996	1.1
83.01395	2.3
85.02943	5.9
86.24773	0.9
87.00848	2.5
87.04510	48.3
89.02461	4.7
95.01332	1.2
96.96008	48.9
97.02968	1.6
99.04508	1.8
100.24545	1.0
101.02444	9.9
102.98609	1.6
108.02140	1.2
113.02441	5.5
118.37022	1.0
118.98052	1.0
119.03517	1.6
120.99646	2.4
121.02959	2.2
123.04519	4.2
125.02431	2.6
135.08163	1.2
137.02394	1.7
137.09718	11.4
139.11237	1.7
147.06631	1.7
150.05574	1.4
151.00351	1.1
153.01875	1.4
153.12781	1.5
155.10767	52.4
156.11115	2.1
161.04482	2.6
167.03474	1.2
169.12297	3.1
181.01401	1.8
181.08754	2.3
183.02977	1.7
183.10233	2.0
197.11685	1.8
199.09737	30.3
199.11580	1.9
207.17479	3.5
209.15453	1.3
213.11244	3.4
241.10764	10.8
268.47189	1.2
269.17557	100.0
269.97946	1.3
270.17822	4.2
270.98840	4.0
271.11734	1.6
283.99564	1.5
285.00345	4.4
286.01196	1.5
293.17532	3.4
297.97482	7.1
298.98343	9.6
301.12830	4.0
312.99857	15.0
314.00638	15.7
315.01080	1.0
327.07080	2.8
328.02081	5.6
329.02945	24.5
329.10587	8.4
329.13876	2.0
345.08243	1.3
359.20499	2.0
361.14682	1.8
370.13733	2.0
373.25903	2.9
389.21713	1.1
431.22620	3.8
491.08176	27.7
491.15564	6.9
491.21350	45.4
492.08633	3.4
492.21518	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70002	3.9
61.98808	7.8
62.69428	3.7
65.36022	3.4
70.44873	12.0
70.45217	4.1
76.57734	3.7
96.96006	5.0
98.78409	4.0
192.81618	3.7
439.32123	19.4
455.35251	100.0
456.35931	4.2
472.91254	4.3
491.32956	99.9
492.33316	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	491.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33512	0.5
57.03450	5.1
59.01366	1.7
59.39452	0.5
61.98815	0.7
67.83889	0.6
70.74335	0.5
109.06580	0.9
110.44014	0.5
113.21293	0.5
125.62289	0.6
129.25703	0.5
138.64073	0.5
175.94368	0.6
176.59480	0.5
219.17557	2.2
221.19011	1.4
255.23352	0.9
383.29507	0.7
383.34192	0.7
413.34232	15.3
414.34625	1.3
427.32095	1.4
429.37347	12.2
430.37650	0.9
445.32846	0.8
447.38330	8.5
448.39044	0.8
457.33163	1.2
461.36197	1.2
473.36359	1.2
486.72467	0.6
491.37399	100.0
492.37833	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	491.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
70.57734	0.7
70.58123	0.7
72.99307	17.5
73.99822	0.4
77.68608	0.3
96.96051	0.3
98.89787	0.3
110.56345	0.4
142.54192	0.4
168.28532	0.3
179.14360	0.5
189.52089	0.3
191.14394	0.7
205.15965	3.7
207.17509	9.2
221.15482	0.7
235.17027	4.1
237.18579	0.7
251.16435	0.4
265.18066	1.4
281.17603	1.2
283.19193	2.3
358.28320	0.4
429.37692	0.5
443.35373	1.0
473.36401	2.0
491.37408	100.0
492.37747	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	491.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39304	0.5
59.01370	1.1
62.88849	0.6
71.59044	0.6
71.59409	0.9
72.99303	16.1
85.55230	0.6
96.96028	0.7
151.48923	0.6
155.36565	0.6
166.30276	0.6
191.14406	0.9
205.15950	0.8
207.17523	13.8
208.17842	1.1
235.17081	4.0
265.17978	1.7
281.17505	1.8
283.19098	1.7
318.16278	0.6
429.37283	0.9
443.35254	1.8
448.58765	0.7
473.36319	1.6
491.37390	100.0
492.37692	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	492.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.2
61.98834	3.0
69.47169	0.7
69.63879	3.4
71.01386	4.6
81.67692	0.6
85.02973	1.2
88.98793	0.7
89.02439	4.0
96.96008	2.4
98.19867	1.3
101.02435	2.3
103.62235	0.7
113.02462	1.2
123.00884	0.7
123.03278	5.4
124.01718	1.4
125.02481	4.7
126.02796	1.6
131.03464	2.4
138.01952	2.8
138.05598	100.0
139.05939	1.8
149.04564	1.7
161.04588	0.7
168.00598	0.7
169.01407	4.6
170.01753	2.4
180.06670	1.8
191.05679	0.8
293.05832	0.6
293.08786	2.7
298.06381	0.7
300.10959	3.1
300.13965	0.6
313.05515	0.8
314.05981	1.3
317.70023	0.6
339.18472	0.6
432.15039	36.6
433.15536	1.9
454.10706	17.0
456.11047	1.7
492.18246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.2
61.98824	1.1
69.35164	1.9
69.35577	0.9
71.01377	3.8
73.64526	0.4
85.02943	0.6
87.00872	0.5
89.02439	4.5
94.94725	0.4
98.19865	0.7
99.00839	0.4
101.02445	1.2
108.02167	1.1
113.02439	0.9
123.03250	5.6
125.02442	1.5
131.03477	1.8
138.01985	15.7
138.05603	100.0
139.02336	0.5
139.05930	2.1
149.04567	1.6
161.04559	0.6
170.50955	0.3
180.06653	1.2
185.41013	0.4
293.08746	3.0
300.10889	3.1
301.11053	0.4
363.34747	0.4
429.10410	0.9
432.15088	34.6
433.15494	1.5
493.15677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25913	1.3
55.01876	2.8
57.03460	2.0
57.68305	1.3
57.71218	1.3
58.00570	2.0
59.01382	12.4
61.98826	8.1
69.03459	2.5
69.53344	11.3
69.83910	1.2
70.82314	1.4
71.01382	10.6
72.64619	1.3
73.02934	2.6
74.99105	3.9
75.00865	1.3
77.04980	1.2
77.46251	1.2
78.21031	1.5
83.01349	1.6
83.05029	1.8
84.42226	1.4
85.02956	6.1
87.00900	1.5
88.98823	2.6
89.02442	9.2
93.03458	16.4
96.96003	12.0
97.02943	2.9
99.00886	2.4
101.02432	5.4
104.96593	1.5
108.02163	1.4
109.02965	3.0
110.62419	1.4
111.00893	2.4
111.04529	11.2
112.48758	1.5
113.02415	6.6
119.03528	1.9
119.05029	15.5
120.99651	45.9
121.02931	2.4
123.00892	5.8
123.04561	1.7
124.01684	4.0
125.02438	3.1
128.70534	1.3
130.04240	3.9
132.05811	3.0
133.06595	46.6
135.06082	1.5
137.02428	8.0
138.03217	6.6
138.05502	1.8
139.04007	3.9
143.05020	9.2
145.03009	7.5
145.06578	22.4
147.04480	2.9
149.04665	1.6
149.06056	2.5
151.00398	1.5
151.03996	2.2
153.01857	1.8
155.03468	4.9
158.03716	2.7
159.04518	5.8
161.02460	10.6
161.04553	5.6
161.06071	16.4
161.07246	1.9
163.04079	2.7
163.07635	39.1
164.04721	1.8
169.01381	3.3
171.04503	4.3
173.04599	3.3
173.06044	23.1
175.03987	2.8
176.04767	9.8
179.03476	14.2
179.05592	4.1
189.09218	3.8
191.07127	100.0
192.07420	4.0
194.05841	31.2
205.05035	34.5
209.08188	68.4
210.08553	1.6
215.07164	4.1
217.05154	1.6
233.06041	2.7
233.08191	37.5
234.08432	1.7
235.06099	62.9
236.06340	3.3
243.06766	3.7
277.07138	20.4
299.07651	2.9
301.09244	8.6
302.09619	1.7
331.08545	1.8
421.11328	4.9
439.12561	6.7
440.64584	1.6
457.13400	19.7
458.13388	1.7
493.13934	26.6
494.13562	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	493.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	4.2
59.01377	57.8
61.98801	3.4
69.03442	8.4
70.44723	8.8
71.00999	4.9
71.01375	65.5
73.02930	10.5
75.00889	4.5
81.03432	4.2
83.01379	4.7
85.02950	10.1
87.00890	3.3
89.02438	82.0
96.95999	32.9
97.02933	7.3
99.00872	15.7
99.04523	2.3
101.02444	12.4
109.02925	3.6
113.02435	7.2
115.03979	9.0
119.03506	2.8
123.00896	2.6
124.01648	21.8
125.02443	52.6
131.03476	9.2
136.99123	2.3
139.03981	7.9
143.03445	3.5
149.04565	11.3
156.99629	4.0
161.04546	3.3
161.05949	2.3
184.68292	2.6
187.00365	3.6
190.52113	2.8
191.05530	12.0
191.07100	4.3
205.04958	3.3
206.61392	2.5
211.02408	4.0
233.06668	31.2
271.04727	7.4
293.08765	100.0
294.08957	4.1
331.06607	3.0
334.51889	2.6
422.05243	2.8
433.13638	50.1
449.03690	3.2
493.11353	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	493.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.3
59.01378	44.1
61.98812	3.9
69.03457	5.6
69.51331	1.9
70.11668	4.0
70.12054	5.2
71.01375	52.6
72.97523	2.5
72.99324	2.4
73.02933	9.0
74.99100	2.9
75.00858	3.0
79.95724	2.7
81.03477	2.6
82.95424	2.1
83.01405	4.1
85.02965	10.1
87.00880	18.6
88.00356	2.1
88.98833	2.9
89.02438	46.3
94.47791	2.1
96.96010	43.4
97.02930	7.6
99.00895	10.8
99.04491	3.1
101.02431	14.0
107.01392	2.8
109.02941	2.6
111.00889	4.5
113.02431	8.1
115.03999	7.0
121.02973	2.8
123.00876	4.4
124.01656	15.3
125.02446	50.7
127.03934	2.2
131.03485	4.4
133.06560	3.3
137.02480	2.6
137.15413	2.1
139.03975	6.5
140.01143	2.0
143.03442	3.5
149.02469	2.6
149.04527	8.8
151.00288	2.8
155.03491	2.1
156.99678	14.3
167.03497	2.3
168.00612	13.1
169.01404	27.8
177.02032	1.8
182.05821	2.5
187.00313	6.7
191.05562	8.7
191.07130	3.0
197.08221	4.5
202.99796	2.2
205.05000	3.1
211.02469	50.3
214.99847	4.1
230.99280	3.4
231.99814	2.0
233.06546	18.7
235.06079	2.7
271.04584	100.0
272.04895	4.8
285.97852	2.3
293.08780	63.2
331.06689	38.7
332.07013	2.5
353.76093	1.8
403.08585	2.7
421.04184	2.5
433.13983	27.0
439.12430	3.0
449.03607	6.1
493.11151	5.2
494.15533	3.2
510.00360	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03435	1.8
58.00582	0.7
59.01377	32.6
61.98813	3.3
66.09089	0.5
66.97081	0.5
69.03468	0.6
71.01378	12.5
71.01765	0.8
71.43165	0.6
71.60505	0.9
72.99302	3.2
73.02933	2.3
75.00873	8.6
79.95712	0.9
80.74162	0.6
83.01408	0.8
85.02946	10.9
85.17033	0.6
87.00884	4.2
89.02440	5.1
95.01382	2.5
96.95991	1.8
97.02946	0.9
99.00874	7.0
99.90246	0.6
101.02437	2.3
103.00310	0.8
105.01917	1.7
108.04554	1.1
109.02944	1.0
109.04868	1.1
111.00839	0.8
113.02445	9.1
113.88195	0.5
115.00362	1.0
117.01933	1.4
119.03488	1.6
120.99641	0.9
123.04523	1.1
125.02442	1.8
126.79087	0.6
129.01959	0.9
137.02429	0.8
139.10335	1.1
139.11299	12.8
140.11638	0.7
153.01945	1.5
161.02454	1.0
161.04523	2.2
163.11143	0.6
165.05533	0.7
168.00610	1.0
175.02434	1.8
179.05583	1.1
181.12315	5.7
183.10231	11.0
199.09518	0.8
199.13387	1.9
211.02502	1.0
225.11343	3.7
231.05038	0.9
243.12305	3.6
243.96686	0.8
249.06117	9.4
250.06516	0.7
267.07007	0.7
269.98007	2.9
270.98431	4.1
271.04593	0.9
271.98666	4.7
285.00351	2.1
286.00757	1.7
287.00861	3.2
297.97488	6.9
298.06366	0.7
298.97876	6.5
299.98050	11.5
312.99911	10.0
314.00220	10.5
315.00433	21.2
317.16003	3.7
321.15237	0.6
328.02249	5.5
329.02567	6.1
330.02802	14.2
331.06805	1.4
431.19202	1.2
433.17160	2.3
433.24323	4.0
449.13272	1.3
475.18066	3.8
478.06525	2.5
493.08798	38.6
493.19199	100.0
494.08984	2.4
494.19492	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75684	9.0
61.98834	11.9
69.35981	49.2
69.36393	24.6
91.48079	8.4
93.16476	9.1
98.58974	11.6
115.17164	10.3
178.72067	9.9
283.16388	10.7
457.36920	29.9
493.34433	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	494.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95306	0.3
57.01250	0.3
59.01379	1.9
61.98828	100.0
71.01395	0.9
73.02935	0.3
74.99112	0.3
75.00880	0.2
75.91118	0.3
79.95763	0.3
83.01382	0.4
85.02977	0.4
87.00883	0.3
89.02458	0.3
89.66122	0.3
96.96034	0.7
101.02480	0.5
108.02175	0.3
109.02933	0.4
111.52902	0.3
113.02509	0.4
120.99687	0.4
122.03691	0.3
123.04491	0.3
125.02471	1.7
126.02773	0.5
136.99109	0.3
167.03519	0.6
191.03513	0.3
272.01471	0.2
276.86432	0.3
413.71854	0.3
450.14365	0.3
452.26727	0.3
494.18378	0.3
495.26129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66089	0.6
51.17089	0.6
59.01379	4.0
69.03474	0.8
70.96283	0.6
71.01382	7.5
71.57468	1.1
73.02959	1.6
75.49665	0.6
83.01379	1.1
85.02937	4.3
87.00880	1.9
89.02470	1.9
91.05559	0.9
93.03452	1.9
93.53092	0.7
94.94826	0.6
96.96008	3.2
97.02968	1.1
99.00890	0.7
101.02441	3.6
105.03484	2.5
107.05030	1.3
107.41148	0.6
109.02932	1.7
111.04501	0.9
113.02441	2.9
117.01940	1.3
117.03471	2.2
119.05023	3.8
121.02981	1.1
125.02444	1.0
133.02971	5.3
133.06572	0.8
135.00819	0.7
135.04520	7.8
136.01640	0.7
137.02402	1.9
145.02959	5.8
147.00879	0.9
147.04503	7.2
149.02463	1.8
159.04556	0.7
161.02428	14.5
162.03146	1.8
163.00380	2.4
163.04007	21.0
164.01134	0.9
165.01886	1.3
165.04178	0.9
165.05573	2.2
169.01389	0.7
173.02464	4.1
173.04469	0.8
174.03149	0.9
175.03954	1.3
177.01909	1.0
189.01909	15.7
190.02722	8.0
191.03490	54.8
191.05565	14.6
191.07144	1.1
192.03755	1.6
193.01349	1.1
193.04990	0.7
196.46500	0.7
201.01959	1.5
203.03459	1.9
205.01466	2.0
205.05040	1.6
207.02945	2.8
209.00800	0.9
209.04527	3.1
214.02751	0.8
214.99821	0.9
215.03470	0.7
216.00603	0.8
217.01430	13.1
217.04962	3.6
219.02982	2.0
231.02953	3.5
233.00883	3.0
233.04509	1.3
234.01695	1.9
235.02455	26.2
236.02811	0.8
237.04033	1.0
244.00237	0.7
245.00858	2.3
245.04555	0.9
247.02461	0.9
259.02374	2.7
259.06342	0.9
261.00360	37.2
262.00815	1.9
262.20428	0.7
263.01926	1.2
275.01755	0.9
277.03531	2.8
283.10986	0.7
287.05795	0.7
289.03543	1.4
303.01385	3.1
307.04523	1.6
314.97806	0.8
315.08981	0.9
319.04556	8.3
320.05301	1.2
321.09979	3.6
333.02621	1.1
361.05542	1.1
363.03589	14.2
379.06638	14.9
379.11215	1.1
423.05649	100.0
424.05927	6.0
451.05228	3.5
495.03842	1.7
495.15402	31.5
496.15222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
65.03927	0.8
70.33295	2.7
71.01379	6.8
73.02936	1.2
74.97075	0.8
75.00866	0.8
78.92995	0.7
78.95874	1.8
83.01370	0.9
85.02954	3.3
87.00864	2.2
88.98805	0.9
89.02433	2.5
91.05541	0.8
93.03452	0.9
96.96004	6.0
97.02927	1.4
98.20588	0.8
101.02418	2.4
105.01922	0.9
105.03461	2.8
107.05036	1.1
109.02943	0.8
113.02438	2.9
117.03434	2.5
119.05019	3.7
121.02944	1.7
122.03732	1.2
123.00900	0.9
123.04512	1.0
125.00091	1.5
125.02391	2.1
133.02939	4.9
133.06573	1.0
135.04527	7.5
137.02477	1.2
145.02930	6.1
147.04518	5.9
151.00409	0.9
153.02010	1.2
153.03195	3.4
159.04550	0.8
161.02438	13.7
161.04684	0.7
162.03102	1.7
163.00316	2.4
163.03996	20.2
164.01065	1.3
165.01921	1.0
165.04016	3.8
165.05539	3.0
169.01410	2.5
173.02454	4.3
175.03975	2.0
176.01068	1.2
177.01918	2.0
179.03400	0.8
187.04015	0.9
189.01909	17.8
190.02681	7.2
191.03499	55.6
191.05521	8.6
192.03836	1.9
201.01915	1.4
203.03551	2.1
205.01419	1.3
207.02922	3.1
209.00842	0.9
209.04535	2.2
211.02419	0.9
213.40924	0.8
215.03307	0.9
216.00435	1.1
217.01410	11.1
217.05081	3.0
219.02986	2.9
229.01277	0.9
231.03032	3.9
233.00893	2.7
233.04414	1.1
234.01646	1.7
235.02444	24.8
236.02794	1.4
243.02986	1.0
245.00818	2.5
245.04642	1.5
247.02339	1.4
249.03998	1.0
259.02475	3.0
261.00369	35.0
261.03183	1.7
262.00812	1.7
263.01923	1.1
275.01746	1.2
277.03461	2.2
286.85947	0.9
289.03625	0.9
290.10284	1.0
303.01486	2.5
307.04471	1.1
319.04483	7.3
333.02521	1.1
361.05841	1.3
363.03513	11.7
379.06613	13.0
380.06940	1.2
423.05646	100.0
424.06036	7.4
451.04834	2.6
495.04114	2.0
495.15265	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	495.1142
Annotation	tarocin A1
Peak:m/z	Relative Intensity
53.26400	0.6
59.01373	12.2
61.98825	1.2
63.00026	0.6
69.03458	0.7
69.46210	4.2
70.74450	0.6
71.01382	3.1
73.02941	0.6
74.87400	0.5
74.99109	1.3
79.95705	0.7
85.02957	1.6
87.00872	0.7
89.02451	2.5
93.03461	1.9
95.01379	0.6
95.05056	1.1
96.96004	8.7
101.02451	2.3
102.67155	0.5
107.01399	5.2
109.02953	5.4
109.06613	2.8
111.00881	1.4
113.02444	1.7
119.03542	0.8
119.05070	3.2
121.02949	4.3
123.00874	5.9
124.01702	1.3
124.51544	0.6
125.02441	27.0
135.04518	4.0
136.99013	1.2
137.02457	3.7
137.06081	26.5
138.06451	1.1
139.00354	1.8
140.01147	1.2
146.26888	0.7
150.03198	1.6
151.00410	3.2
151.03979	1.2
153.01927	1.8
162.03178	0.7
163.04121	0.7
165.05598	1.0
167.03456	0.7
168.00606	1.7
169.01419	34.6
170.01712	1.0
181.05058	81.3
182.05394	2.3
241.69066	0.6
253.03323	0.7
281.06668	2.2
313.05624	18.7
314.05957	1.1
339.88138	0.6
343.06406	1.0
343.10321	12.4
344.93515	0.8
435.26093	1.7
447.12781	2.6
451.49985	0.6
495.11392	100.0
495.18716	5.3
496.11731	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	495.1499
Annotation	Aquaticoside B
Peak:m/z	Relative Intensity
56.61151	1.0
57.03424	1.6
58.00585	2.1
59.01143	1.2
59.01382	12.2
61.39018	1.0
61.98822	4.5
71.01372	11.5
71.05023	1.0
72.99303	2.9
73.02939	3.3
78.22852	1.2
79.01907	1.1
79.95721	1.8
83.01382	1.8
85.02953	5.3
87.00860	3.7
88.98810	1.6
89.02456	5.0
93.03455	20.8
95.01379	4.2
96.96006	34.9
97.02911	1.5
98.19851	2.6
101.02437	8.7
105.01910	3.7
107.01388	4.2
108.02165	1.5
109.02969	2.0
111.00866	4.0
113.02464	5.8
119.03474	1.3
119.05016	1.9
120.99636	1.1
121.02936	2.3
122.03754	2.6
123.00889	17.7
123.04499	4.2
124.01650	2.7
125.02442	21.7
127.00323	1.7
135.04527	3.3
136.01657	2.0
136.05293	1.7
136.98927	1.8
137.02441	50.3
139.00356	6.0
139.04002	5.5
140.01128	4.1
141.01918	2.1
145.02930	2.0
145.06625	2.5
147.04568	1.9
149.02420	10.1
150.03221	35.8
151.00380	11.4
151.03995	10.2
153.01936	2.0
161.02431	2.5
161.04594	2.0
162.03226	2.7
162.06824	1.1
163.04054	2.6
163.07588	2.7
164.04782	4.3
165.05571	23.8
167.03438	2.5
168.00612	4.6
169.01419	25.2
177.01918	1.7
179.03461	2.0
180.04257	1.5
181.08682	2.3
184.15691	1.0
191.03421	1.1
193.05055	1.4
195.06569	11.2
209.04517	2.4
211.02454	4.1
211.06104	1.1
221.04492	1.3
271.04535	3.1
274.00549	1.2
281.06650	45.4
282.06955	2.0
287.17877	1.1
305.79706	1.3
313.05569	2.7
317.99045	1.3
398.45291	1.1
447.12839	54.5
448.13226	3.7
459.12759	1.2
477.14008	4.6
495.14984	100.0
496.15314	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	495.1516
Annotation	Oxypaeoniflorin
Peak:m/z	Relative Intensity
59.01378	3.5
59.34503	0.4
60.17509	0.4
60.99298	0.7
61.98830	6.7
69.03461	0.6
70.54111	1.0
70.54456	0.4
71.01379	2.7
72.99309	0.5
73.02942	1.2
76.25111	0.4
81.03453	0.4
83.01405	0.4
83.44176	0.4
85.01021	1.3
85.02947	6.7
87.00903	1.9
88.98797	3.1
89.02435	1.4
93.03452	3.8
95.01392	0.4
96.96016	4.5
98.95607	0.5
99.04465	0.6
101.02444	0.8
105.03487	0.4
109.02946	0.9
111.00849	0.5
111.04507	2.0
113.02439	2.0
115.00343	0.5
115.02090	0.6
119.04989	0.5
122.98576	0.4
125.02440	1.0
127.02055	0.4
127.03996	1.2
133.02917	0.4
135.04503	0.5
137.02417	0.9
143.03452	0.4
145.03014	1.4
147.04535	0.8
150.03191	0.5
153.01894	0.6
154.99849	0.8
155.03488	0.6
156.00653	0.6
159.04643	0.8
161.02431	1.2
162.03130	0.4
163.03993	1.8
164.07190	0.5
165.05565	0.7
168.00604	0.4
169.01385	1.6
169.64659	0.4
171.02995	0.9
173.04523	1.6
175.02457	1.1
189.01930	2.1
191.03600	3.2
191.05591	43.5
192.05927	1.9
199.04140	1.4
205.05107	0.5
217.01402	1.8
217.05203	6.3
235.02472	1.3
259.06369	1.3
261.00336	2.9
275.01846	0.5
285.00424	0.5
287.05820	1.8
289.07446	1.0
300.06314	0.5
301.07358	1.8
303.01328	0.8
315.08893	2.3
320.05621	0.8
321.09973	1.7
363.03598	0.6
363.11032	0.5
379.06226	0.6
379.10541	1.1
411.67670	0.4
423.05603	6.5
424.06079	0.4
451.04874	0.5
495.15277	100.0
496.15717	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	495.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
59.01376	17.4
61.98838	0.8
69.53215	1.5
69.53625	0.7
70.70068	0.3
71.01379	9.3
72.30462	0.3
72.99289	1.0
73.02945	0.4
73.22945	0.3
80.05043	1.6
83.01379	0.5
85.02943	2.5
87.00880	0.9
89.02441	7.7
95.01378	1.1
98.20578	0.6
99.00866	0.4
101.02440	5.1
106.06637	0.6
108.04556	8.7
108.36062	0.4
109.02912	0.7
113.02428	3.3
119.03500	3.3
120.99640	0.7
121.05359	0.8
122.06120	1.0
123.04386	0.4
131.03484	0.4
132.04544	0.7
136.07672	13.7
137.07977	0.4
138.05589	1.2
147.03244	1.4
147.05602	0.5
148.04041	0.5
161.04472	0.6
162.05595	4.8
166.05038	0.5
174.12817	0.3
177.01935	0.6
179.05649	0.5
189.01857	1.1
197.07103	0.4
198.07855	0.7
200.10817	0.4
202.12411	0.6
203.58377	0.4
212.09554	0.5
213.06633	1.7
214.07533	0.4
216.06474	0.5
217.01410	0.8
217.07304	0.6
225.10309	0.4
227.08220	0.6
227.11861	1.5
228.08862	0.7
229.09811	1.9
230.08310	0.4
237.06470	0.3
238.07420	1.5
241.06163	1.2
242.07002	1.7
243.11310	1.8
246.11249	0.6
253.09770	4.3
254.10376	0.5
255.07741	0.8
255.11278	0.7
256.08496	2.3
270.10043	2.0
271.10849	100.0
272.11215	4.3
341.06613	2.0
408.16760	0.5
433.15942	0.6
434.15900	0.3
451.16989	2.1
487.13089	0.4
495.16330	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	495.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54795	0.5
59.01378	2.8
61.98819	1.1
69.53625	2.1
71.01384	2.1
73.02942	0.9
79.95732	3.8
85.02927	0.6
89.02453	1.4
95.95230	1.6
96.96004	100.0
98.20689	0.8
101.02441	1.5
108.02198	0.6
113.02444	1.0
119.03491	0.6
137.02423	0.5
137.09714	1.4
152.01073	1.0
155.10773	8.7
181.05072	0.6
185.71771	0.4
199.09731	2.9
226.41687	0.4
241.10713	1.1
257.08481	0.4
273.11569	2.4
291.12775	0.4
327.08643	0.5
330.33859	0.4
333.13809	0.5
357.13412	1.0
375.14139	0.4
405.15283	0.5
435.16727	0.5
453.17877	0.6
495.19086	85.9
496.19492	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	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03438	3.5
57.89899	1.1
58.00593	1.5
59.01376	95.5
59.60791	1.1
61.98822	5.0
71.01373	43.2
72.99297	2.8
73.02946	16.0
75.00856	1.3
78.95907	4.6
83.01381	8.5
85.02943	19.6
87.00890	1.5
89.02442	20.5
95.01382	2.9
96.58350	1.1
96.95998	4.0
97.02956	1.1
99.00880	7.7
101.02432	42.3
113.02451	22.7
119.03474	6.2
122.40899	1.1
125.02409	3.2
131.03491	58.7
141.00108	1.3
143.03476	2.2
149.04562	8.7
150.06813	1.1
152.99582	2.4
153.01906	1.3
159.02945	2.2
161.04529	13.3
179.05577	2.2
191.05666	6.5
254.72755	1.2
293.08881	1.4
303.18091	100.0
304.18347	5.5
435.22256	25.5
436.22800	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	495.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57969	21.3
59.01379	40.1
61.98823	34.4
69.31535	100.0
69.31953	84.9
95.26438	20.5
99.44472	19.8
152.99612	22.1
166.63124	21.6
214.70482	19.0
222.82890	20.9
435.64774	26.1
459.34741	32.2
495.35355	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	495.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	10.9
69.31458	62.0
85.53519	7.9
93.07304	8.0
98.20672	13.2
108.48301	7.9
130.65132	8.3
143.66013	7.1
203.39172	7.5
402.01855	8.0
459.34882	100.0
495.32565	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45358	18.5
54.33529	16.7
55.22916	19.5
59.01385	21.6
61.35312	18.8
61.98855	19.0
62.12472	14.9
69.72612	100.0
105.13796	17.3
145.29031	17.8
186.36934	17.3
193.03358	20.9
203.95563	17.3
495.36301	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	495.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42200	15.1
68.57197	17.2
69.10461	15.2
69.72032	14.3
70.40881	48.6
107.49253	15.9
175.35695	14.0
218.24510	14.7
260.52597	14.5
274.56714	18.9
444.39081	16.1
459.38184	100.0
495.35828	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83925	0.8
55.64560	0.8
57.87012	0.8
59.01376	3.8
61.98826	23.3
62.99876	0.8
68.55529	0.8
71.01378	3.0
74.99099	0.9
75.19415	0.8
79.95730	8.8
79.98800	0.8
82.30689	0.8
83.01362	1.4
85.02930	1.4
89.02443	1.8
96.96000	3.8
99.00868	1.0
101.02441	1.6
107.01368	1.0
113.02460	1.3
123.00832	0.8
125.02432	0.9
137.02406	1.2
143.17322	0.8
148.01620	1.0
151.00334	5.7
162.03256	0.9
163.00456	1.1
169.01405	1.6
178.99870	2.7
195.01326	0.8
196.47815	3.6
196.98004	1.1
198.22714	0.7
203.98956	2.6
226.02705	1.2
227.03432	2.2
228.73805	0.9
230.44978	1.1
243.02928	6.5
243.96808	7.0
244.46875	2.5
244.96680	1.2
254.02057	2.2
255.02979	20.9
271.02469	40.0
272.02905	3.3
300.02719	100.0
301.03436	21.8
312.99911	3.0
408.12033	0.9
433.07700	96.5
434.07968	7.2
460.18759	1.0
495.18344	1.1
495.25314	1.2
496.18457	2.3
522.04651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68229	0.3
57.03459	0.5
59.01374	1.8
61.98827	100.0
71.01369	1.2
71.89881	0.2
74.99088	0.6
79.95745	0.9
83.01405	0.3
85.02940	0.4
88.98821	0.4
89.02437	0.6
93.74643	0.3
96.96024	1.2
98.20672	0.6
101.02418	0.4
108.04540	1.0
113.02418	0.4
115.44476	0.3
120.99646	4.0
123.00909	0.5
123.04541	0.5
125.02479	0.5
136.99117	0.4
150.05624	0.8
151.00345	0.4
168.11906	0.3
169.01456	0.7
190.02437	0.3
191.03333	0.4
196.47932	0.3
208.66220	0.3
243.96782	0.7
271.10867	0.6
272.11340	1.0
279.61536	0.3
283.35327	0.3
307.05231	0.2
323.67490	0.3
342.06882	0.4
452.17892	0.7
495.25241	0.3
496.16916	0.5
496.25806	0.4
497.16571	1.0
497.28571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98828	100.0
70.77228	0.6
71.01411	0.4
79.95734	0.3
84.32023	0.2
87.00847	0.3
88.98809	0.2
89.02463	0.3
91.21478	0.2
96.89570	0.2
96.96014	5.1
110.46913	0.2
113.02469	0.2
123.00905	0.3
125.02441	0.7
131.03487	0.2
159.80084	0.2
163.03993	0.3
169.01447	0.9
177.01720	0.3
189.01952	0.3
211.02534	0.6
247.02513	0.3
259.69913	0.2
262.00812	0.2
271.04642	1.2
273.00592	0.4
293.08841	0.7
302.83716	0.3
331.06931	0.4
424.06448	0.4
461.13525	2.6
496.15402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1677
Annotation	6-O-Vanilloyl-ajugol
Peak:m/z	Relative Intensity
55.01879	0.5
57.03434	0.6
57.98959	0.5
59.01372	6.1
60.77800	0.5
61.00998	0.5
61.98830	3.3
66.43600	0.4
68.01395	0.4
69.67334	2.6
69.74097	0.5
71.01371	6.4
72.99301	1.0
73.02942	1.2
75.00874	1.6
78.91924	0.4
79.95726	1.0
80.96451	0.6
81.77136	0.4
83.01387	0.6
85.01018	7.1
85.02944	4.1
87.00873	14.5
88.98775	0.7
89.02433	3.2
93.03471	0.8
94.06595	0.6
94.97909	0.5
95.01378	1.4
96.96001	6.9
99.00867	3.6
99.08117	0.6
101.02445	3.4
105.01927	25.0
109.02974	0.5
113.02425	4.5
113.70688	0.4
115.02081	1.2
117.01945	1.1
119.03490	1.3
120.99678	0.6
122.06129	1.4
123.00886	2.0
123.04517	1.3
124.07673	1.0
125.02431	4.4
127.02039	1.3
133.05016	0.8
135.02994	0.9
135.04504	1.1
137.02446	1.2
139.03984	1.4
143.05212	3.8
143.84058	0.6
145.03102	2.1
147.02982	4.6
148.04025	1.6
149.02408	1.0
149.04514	0.8
150.03224	0.9
151.00389	0.7
151.03986	1.0
157.03102	0.8
161.02420	0.9
164.04691	0.5
165.04031	53.0
166.04422	1.7
167.03502	3.4
169.01410	3.4
169.03128	0.7
179.03419	0.9
180.18925	0.5
181.05000	0.6
183.02959	0.8
187.04166	1.1
187.07866	1.7
191.03622	0.9
191.05504	0.8
195.06712	0.6
205.05110	0.9
209.04506	0.6
211.02423	0.6
214.31877	0.5
218.03984	0.5
227.11792	0.8
231.11487	0.7
237.36668	0.5
243.11186	0.8
271.04712	0.8
273.12476	1.7
287.09158	2.7
313.05597	0.9
316.10425	0.8
317.11258	2.3
335.07709	0.6
335.11636	1.5
349.13080	8.5
353.09088	1.3
379.00797	0.5
383.12161	1.3
403.78235	0.5
434.13803	1.1
449.10574	0.8
455.76743	0.5
479.16989	2.1
497.16861	100.0
498.17087	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	497.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.8
66.37762	2.0
71.01383	17.2
73.02222	2.0
79.95717	4.1
80.05048	8.6
85.02946	4.5
87.00867	2.8
89.02436	4.6
92.05067	2.8
94.06617	8.3
96.08229	2.5
96.96019	23.8
97.01673	3.4
97.02905	2.3
98.20647	5.9
101.02438	8.7
106.06628	4.3
108.04552	2.7
109.02949	3.7
109.05343	4.4
111.00826	3.5
113.02419	6.1
120.04536	13.3
121.02987	2.7
121.05342	3.8
122.06122	35.2
123.04514	3.3
124.03997	2.9
124.07677	37.4
125.02451	4.7
135.04515	6.3
136.04030	7.0
136.07666	3.0
138.05577	2.8
139.00325	2.5
140.07158	3.8
148.04033	85.9
150.03177	2.3
150.05597	28.6
152.07141	4.1
162.16078	2.3
166.05034	8.3
167.03456	5.4
168.00577	2.5
168.06612	6.6
169.01358	5.5
179.03485	5.8
181.05074	2.7
183.02969	4.8
184.06271	2.3
194.04559	3.7
197.07140	7.7
198.07986	2.4
199.03975	3.8
199.12204	2.8
200.09473	8.1
210.04051	3.1
211.08847	3.6
212.09381	12.8
213.06668	4.4
213.10292	5.3
215.11880	28.1
224.32526	2.1
225.06677	24.4
225.10168	4.7
226.07349	3.0
226.10994	6.3
227.11888	42.0
229.09752	2.7
229.13292	2.9
231.11324	6.0
240.09027	34.0
240.11476	3.4
241.09766	4.5
243.11339	18.3
255.11362	63.5
256.11673	3.0
256.17529	2.3
271.10910	3.6
272.11630	4.7
273.12424	88.1
274.12564	4.3
275.10397	2.6
287.10303	6.8
291.13477	8.0
299.10388	19.3
305.15967	5.0
316.10605	13.7
317.11362	100.0
318.11755	6.8
334.11536	4.0
335.12488	37.9
336.12759	2.9
406.48096	2.2
437.20404	4.8
461.12778	2.8
479.16699	93.3
480.16837	9.1
497.11261	5.5
497.17963	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	497.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20669	1.7
59.01377	15.6
61.98589	1.8
61.98828	21.2
67.15819	2.1
69.58690	2.6
69.59094	9.1
71.01381	13.7
71.05003	3.7
71.76675	1.6
72.99309	3.2
73.02928	2.9
74.99061	2.8
75.00845	2.1
77.98090	1.8
79.95728	2.0
80.05054	9.7
85.02933	3.5
87.00845	5.9
88.98799	5.9
89.02451	12.2
94.06594	10.1
95.01389	3.3
96.08169	3.4
96.96008	16.2
97.01659	3.7
97.02969	2.1
98.19878	2.3
99.00871	3.2
101.02462	8.8
106.02967	8.4
106.06628	3.0
107.01392	2.9
108.04555	6.3
109.02926	5.4
109.05304	3.8
110.06091	3.3
111.00847	2.0
113.02434	8.2
119.03535	2.5
120.04551	12.3
120.99628	3.6
121.02923	3.3
121.05311	8.9
122.06117	36.3
123.00869	7.1
123.04482	5.5
123.06863	3.4
124.04012	2.8
124.07675	40.8
125.02442	24.5
133.02942	1.9
135.04539	3.0
136.04034	14.3
136.99095	3.9
137.02400	5.8
138.03198	2.4
138.05595	8.3
139.00371	3.5
139.04031	11.4
140.07169	3.6
148.04042	74.8
148.07671	2.4
149.02420	3.2
149.04451	3.1
150.03215	5.4
150.05603	29.0
151.00294	5.1
151.03972	6.2
152.07172	3.6
153.01926	2.1
153.05539	8.3
161.04474	2.9
165.01859	5.2
165.04056	6.1
165.05515	6.6
166.05060	11.4
167.03436	3.0
167.07086	2.5
168.00548	3.6
168.06662	11.4
169.01431	28.2
179.03456	5.2
181.04974	2.1
183.02936	2.0
183.06612	2.5
188.07175	2.2
194.04556	5.8
194.16986	1.9
195.06598	6.2
197.07161	4.5
199.12408	2.4
206.08374	2.4
208.87856	2.1
210.04071	5.4
211.02446	6.9
211.08694	2.4
212.09435	7.0
213.10312	3.6
215.08195	3.0
215.11870	6.6
219.02966	2.4
221.04478	2.0
225.06653	9.2
225.10179	2.8
226.07280	2.4
226.11000	3.3
227.08374	3.9
227.11887	23.8
228.08876	3.1
229.09752	4.9
229.13377	2.3
230.10480	4.0
231.11343	22.6
232.93466	1.6
239.08139	2.5
240.09053	20.1
241.09837	9.6
243.11359	16.1
244.12077	5.1
245.12817	3.3
247.02405	3.7
255.11366	33.0
256.11838	2.5
257.09103	1.8
271.04559	4.0
271.10907	2.5
272.11633	10.9
273.00482	2.8
273.12411	58.6
274.09665	3.2
274.12628	2.8
275.10403	17.7
287.09525	5.9
290.12762	2.7
291.13516	5.7
299.07507	2.1
299.10559	13.7
313.05688	7.1
316.10593	23.1
317.11374	100.0
318.11591	5.5
331.11591	2.9
334.11703	10.9
335.12424	25.9
434.13687	4.4
437.15585	28.2
453.10190	6.7
479.08466	10.6
479.16611	85.1
480.16833	7.5
494.36606	2.1
497.09302	16.1
497.17480	29.1
498.11237	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47840	0.7
55.01877	1.0
57.03438	1.4
59.01102	0.8
59.01376	12.0
61.98827	23.4
69.03457	1.7
71.01381	6.9
71.61794	0.7
72.99310	1.2
73.02935	2.7
74.41464	0.7
75.00858	1.9
78.21658	0.6
78.95900	1.9
79.95728	2.2
80.96497	1.1
81.03461	0.7
83.01375	1.5
85.02953	4.9
85.95123	0.8
87.00871	1.8
87.04517	9.4
87.21947	0.7
89.02411	3.6
93.03430	1.5
95.01377	1.0
95.05030	2.0
96.95991	5.7
97.02928	2.3
98.95586	1.5
99.00863	1.8
99.04533	1.3
101.02432	4.9
101.06116	0.8
109.02943	1.3
111.08134	1.3
113.02444	2.1
113.06038	0.7
114.03281	0.7
120.99634	1.6
121.02944	1.5
122.03725	0.9
123.00902	1.5
123.04517	100.0
124.01662	1.0
124.04832	2.2
125.02457	5.5
131.03531	1.2
135.08153	2.0
137.02411	1.5
137.06122	1.2
137.09711	7.4
139.07625	2.3
139.11301	0.9
141.09151	1.0
143.10760	3.8
145.02852	0.9
149.04567	1.1
149.09660	0.9
151.00423	0.8
152.01105	0.8
153.05563	88.8
154.05911	2.7
155.10760	38.8
156.11066	1.4
157.08733	0.9
158.20755	0.7
159.04549	0.7
161.02408	0.9
161.04498	1.2
163.07663	1.3
165.09166	1.4
167.10762	1.6
169.01419	2.1
169.12378	1.7
170.01706	0.7
177.01949	1.0
179.10738	4.2
181.05086	0.8
181.08752	3.9
189.01962	0.8
191.10765	2.7
193.12448	0.9
195.10263	3.1
199.09734	34.5
200.10135	1.3
213.11371	2.2
217.01430	1.4
223.09740	1.4
225.11501	1.0
227.12717	0.9
227.37228	0.8
237.11462	0.9
241.10779	8.4
253.10883	2.1
255.12477	3.0
267.07343	2.8
283.11853	16.9
284.12329	0.9
341.06851	2.6
343.07480	1.0
343.13928	11.3
344.14917	0.8
400.11740	0.9
435.10876	2.9
437.24142	0.9
479.17786	0.8
497.08289	2.9
497.20410	54.5
498.20499	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	497.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03423	2.4
58.00590	0.8
59.01377	62.5
61.80414	0.5
69.03441	0.6
71.01380	27.6
71.60116	0.9
72.99299	1.5
73.02942	13.4
75.00848	0.7
83.01376	7.1
85.02945	18.4
86.00093	1.3
87.00854	1.1
89.02441	4.7
90.32382	0.5
95.01381	2.3
96.96024	0.6
97.02951	0.5
99.00876	5.5
101.02441	37.1
111.00887	0.9
113.02437	13.9
114.02685	0.5
125.02426	1.1
129.01933	0.8
131.03499	41.2
132.03914	0.6
143.03476	1.5
159.02957	2.1
161.04567	9.3
164.82976	0.5
191.05339	0.6
213.14993	0.6
305.19675	100.0
306.20053	5.2
333.09171	0.6
349.18317	0.8
437.23877	31.0
438.24243	2.2
451.10822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3634
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
59.01375	3.2
61.98812	0.2
64.64467	0.1
68.92870	0.1
70.44778	0.2
70.45134	0.2
97.06580	0.2
115.44433	0.1
123.90210	0.1
246.21747	0.1
437.34167	2.6
438.34616	0.2
497.36295	100.0
498.36679	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	499.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11382	0.2
59.01381	3.1
61.98829	1.3
71.01376	2.2
71.59235	0.3
72.99280	0.4
73.02943	0.7
74.93503	0.2
75.00856	0.4
78.95886	1.6
79.95734	3.1
80.91665	0.4
82.95402	0.5
83.01376	0.7
85.02945	1.0
87.00871	0.3
88.98852	0.3
89.02439	0.9
93.03479	0.4
94.98061	0.3
95.01354	0.3
96.96008	100.0
96.96995	2.5
97.02969	0.3
97.95934	0.3
99.00909	0.4
101.02435	1.8
108.04546	0.5
110.97621	0.2
111.00851	0.3
111.04504	0.3
113.02420	1.1
119.03500	0.3
119.05000	0.3
121.03004	0.3
123.00853	0.4
123.04552	0.3
125.02443	2.4
133.06554	0.2
137.02434	0.6
145.02946	0.3
146.08221	0.5
150.05547	0.5
151.00320	0.4
151.03981	0.8
161.02538	0.5
161.04555	0.6
169.01474	1.3
172.87488	0.2
173.04576	0.4
175.03874	0.2
181.08736	0.5
281.09702	0.2
288.04715	0.3
289.07239	0.5
290.65164	0.2
293.16025	1.3
297.03491	0.6
298.03412	0.4
347.13699	0.3
439.21750	3.5
464.21924	0.3
499.13486	2.2
500.18707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14280	1.7
55.01868	2.4
57.03454	29.1
58.00591	1.9
58.32780	1.5
59.01377	60.2
60.22922	1.7
61.98587	1.5
61.98830	16.1
69.03429	4.9
69.71798	10.7
71.01381	70.3
72.99277	5.1
73.02556	3.5
73.02943	58.2
75.00847	6.8
79.95719	4.4
80.96500	4.1
81.03455	2.0
83.01349	6.7
83.05030	3.6
85.02524	2.3
85.02950	25.6
87.00876	12.3
87.93090	1.6
89.02455	12.5
93.03432	2.0
93.54720	1.7
95.01359	2.8
96.96009	13.4
97.02900	3.6
97.34311	1.9
99.00854	7.0
99.04524	16.5
101.02445	31.5
103.03999	17.3
107.05034	2.5
108.02173	2.4
108.04536	4.4
109.02909	7.2
113.01810	1.8
113.02448	18.9
113.06026	2.6
119.03463	4.9
120.05756	2.8
121.02882	2.9
123.00806	2.9
123.04478	7.0
123.89589	1.7
125.02433	10.7
131.03497	100.0
133.10211	3.4
135.04491	5.1
135.08163	10.2
135.11798	21.4
136.05251	2.6
137.02419	4.9
139.03973	2.3
145.02954	9.1
150.05493	2.6
151.00308	2.2
151.03957	3.9
151.07539	3.1
153.01964	8.7
153.05533	3.3
155.10728	4.3
159.08076	7.1
160.03993	4.5
161.04538	14.2
161.09729	21.5
163.04021	19.9
177.12688	3.2
178.06305	17.2
179.03482	2.0
179.05469	2.3
179.10771	80.9
189.01799	2.5
193.08687	29.5
193.12204	5.8
195.06612	20.3
200.10107	1.8
202.02805	2.3
203.10678	4.3
205.08685	2.6
221.11702	6.9
223.09708	5.6
275.07571	6.2
293.05579	2.9
293.08762	41.8
304.08142	5.3
318.62027	1.9
323.14819	2.7
325.72198	1.9
338.12555	4.1
413.58267	2.0
419.09576	6.1
455.19382	29.8
456.19012	3.4
461.13892	2.9
462.50760	2.1
499.12762	10.1
499.18018	89.2
499.32983	15.6
500.18250	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	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14280	1.7
55.01868	2.4
57.03454	29.1
58.00591	1.9
58.32780	1.5
59.01377	60.2
60.22922	1.7
61.98587	1.5
61.98830	16.1
69.03429	4.9
69.71798	10.7
71.01381	70.3
72.99277	5.1
73.02556	3.5
73.02943	58.2
75.00847	6.8
79.95719	4.4
80.96500	4.1
81.03455	2.0
83.01349	6.7
83.05030	3.6
85.02524	2.3
85.02950	25.6
87.00876	12.3
87.93090	1.6
89.02455	12.5
93.03432	2.0
93.54720	1.7
95.01359	2.8
96.96009	13.4
97.02900	3.6
97.34311	1.9
99.00854	7.0
99.04524	16.5
101.02445	31.5
103.03999	17.3
107.05034	2.5
108.02173	2.4
108.04536	4.4
109.02909	7.2
113.01810	1.8
113.02448	18.9
113.06026	2.6
119.03463	4.9
120.05756	2.8
121.02882	2.9
123.00806	2.9
123.04478	7.0
123.89589	1.7
125.02433	10.7
131.03497	100.0
133.10211	3.4
135.04491	5.1
135.08163	10.2
135.11798	21.4
136.05251	2.6
137.02419	4.9
139.03973	2.3
145.02954	9.1
150.05493	2.6
151.00308	2.2
151.03957	3.9
151.07539	3.1
153.01964	8.7
153.05533	3.3
155.10728	4.3
159.08076	7.1
160.03993	4.5
161.04538	14.2
161.09729	21.5
163.04021	19.9
177.12688	3.2
178.06305	17.2
179.03482	2.0
179.05469	2.3
179.10771	80.9
189.01799	2.5
193.08687	29.5
193.12204	5.8
195.06612	20.3
200.10107	1.8
202.02805	2.3
203.10678	4.3
205.08685	2.6
221.11702	6.9
223.09708	5.6
275.07571	6.2
293.05579	2.9
293.08762	41.8
304.08142	5.3
318.62027	1.9
323.14819	2.7
325.72198	1.9
338.12555	4.1
413.58267	2.0
419.09576	6.1
455.19382	29.8
456.19012	3.4
461.13892	2.9
462.50760	2.1
499.12762	10.1
499.18018	89.2
499.32983	15.6
500.18250	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	499.195
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01379	23.8
61.87928	3.4
61.98813	5.2
62.76429	4.0
64.02907	4.0
69.78151	21.8
71.01371	23.2
73.02946	7.2
79.95750	5.2
80.96517	7.8
82.95400	9.7
83.01385	3.9
85.02939	12.0
87.00873	4.0
89.02448	15.7
96.96012	73.1
98.20638	7.3
99.00860	7.4
101.02428	12.1
113.02470	7.8
115.29938	3.6
122.03699	5.7
125.02451	9.1
131.03513	3.5
135.04495	20.3
137.02423	4.6
149.04556	7.8
161.04527	4.7
205.12376	17.8
292.16785	12.0
293.17538	54.7
307.17343	6.6
463.21906	46.2
499.19534	100.0
500.19824	4.9
521.44904	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	499.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31488	0.9
55.01881	1.8
57.03445	1.4
58.55489	0.8
59.01382	19.5
61.98824	8.2
64.66026	0.9
69.48322	3.2
69.48753	3.1
71.01376	19.6
72.99274	1.6
73.02951	7.2
79.95740	5.9
83.01380	4.2
83.45739	0.8
85.02949	10.2
87.00867	2.8
89.02432	9.0
93.03479	1.3
95.01377	1.0
96.96008	100.0
97.02995	1.2
99.00873	3.9
99.08139	3.8
101.02439	19.5
109.02930	2.7
111.00842	2.8
113.02454	9.2
119.03509	1.3
121.02953	1.2
123.00864	1.0
123.04546	1.2
124.01648	1.6
125.02440	5.6
126.57125	0.9
131.03485	3.0
135.04584	1.0
137.02432	2.0
143.03499	1.0
145.08696	19.1
149.04497	2.1
151.03963	1.8
153.01942	2.3
159.02943	2.7
161.02435	1.4
161.04523	4.4
169.01384	1.7
191.05528	1.3
233.06627	1.3
243.96716	1.2
260.03586	0.9
261.20813	0.9
289.07132	2.9
307.12161	2.0
307.17587	26.3
345.74915	0.9
352.50928	0.9
437.10919	4.8
439.21805	58.2
440.22055	2.5
463.21680	1.7
489.04294	0.9
499.19354	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	500.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86259	0.2
59.01377	1.7
61.98827	100.0
70.50500	0.4
71.01368	0.5
96.96003	0.4
101.02457	0.5
120.43071	0.3
131.03543	0.4
214.39148	0.2
248.82867	0.2
306.20151	0.4
307.20316	0.4
308.20557	0.5
336.85956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98827	100.0
68.63283	0.2
71.01385	0.2
87.00826	0.2
89.02413	0.2
96.95989	0.3
98.20750	0.3
128.03650	0.2
142.06577	0.2
225.10783	0.2
230.37959	0.3
238.39264	0.1
240.80553	0.2
341.05435	0.2
523.93542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33823	0.6
59.01377	77.4
70.48750	0.6
71.33794	1.3
72.99321	0.8
73.02911	0.6
90.97157	0.7
112.94432	0.6
116.47963	0.6
118.96627	1.1
122.94646	0.5
132.98238	1.6
134.97028	2.0
157.03548	3.1
159.01492	2.0
174.99231	20.8
192.96135	1.4
201.02547	35.3
202.02722	1.5
203.02637	0.7
210.24733	0.6
217.00294	100.0
218.00635	1.9
234.97142	0.7
250.95172	2.0
276.98206	1.9
292.96228	4.1
334.97165	2.0
336.60037	0.6
343.03723	3.8
352.24673	0.6
359.01443	69.3
360.01642	3.5
382.51001	0.7
391.47855	0.7
500.98499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19933	0.4
59.01378	16.3
61.39361	0.4
61.98824	1.7
71.01379	8.5
72.99307	0.9
73.02942	1.2
79.95729	1.5
85.02946	1.6
89.02445	8.7
96.96019	2.8
97.02942	0.6
99.00880	1.1
101.02456	5.0
103.05536	2.2
112.98603	0.8
113.02438	1.8
119.03532	0.7
119.05027	1.4
123.04542	0.5
125.02446	4.0
131.03505	7.1
143.03465	0.7
145.19731	0.5
147.04514	100.0
148.04848	2.0
149.04546	4.9
161.04607	0.8
171.90927	0.4
189.05573	0.8
191.05656	3.6
196.47736	1.0
203.98958	1.0
207.06581	1.0
209.11777	2.5
227.12997	0.6
243.96780	1.6
253.09430	0.8
293.08728	3.5
312.99890	0.6
354.98627	0.5
371.11539	0.5
441.14069	3.6
463.21716	2.1
485.66132	0.5
501.19327	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	501.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87368	1.3
52.19147	1.2
52.25763	1.2
58.00583	3.4
59.01380	64.6
59.01683	3.0
61.98820	5.2
62.11536	1.4
64.36707	1.3
70.15440	4.5
71.01379	40.4
72.99308	3.8
73.02943	1.5
83.01412	1.8
84.95113	2.0
85.02930	6.7
87.00876	2.6
89.02445	37.4
95.01384	3.6
96.96011	31.8
98.19972	1.7
99.00877	3.0
101.02436	17.8
113.02447	16.8
119.03501	12.8
125.02457	3.6
143.03503	3.3
159.05630	32.6
159.09215	1.5
160.06454	6.3
161.04527	4.2
161.05936	2.5
161.07202	29.8
171.09340	1.8
173.07175	11.9
175.08745	7.0
177.06721	2.8
179.05583	5.5
187.05121	4.8
187.08682	2.9
188.05826	1.6
189.06674	26.9
191.08249	1.7
201.06689	3.5
203.08252	17.3
205.06186	19.4
215.08223	6.6
219.07755	16.1
229.09822	3.1
231.07703	6.9
243.07806	1.6
247.07285	7.1
261.04022	1.3
261.08765	11.9
273.08823	1.8
293.11429	4.7
296.55725	1.5
321.10883	31.5
323.12381	5.5
339.11942	100.0
340.12271	4.7
351.11951	2.4
379.11209	1.8
381.13010	49.8
382.13211	3.3
393.13083	14.1
405.12866	2.2
441.20029	1.7
501.17477	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	501.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
59.01378	7.1
59.22997	0.3
61.98827	0.8
65.00283	0.4
67.01883	0.6
68.99796	0.4
69.03439	0.9
69.27106	3.3
70.56378	0.3
71.01385	4.8
72.99310	0.7
73.02947	0.8
75.00862	0.7
79.01880	1.0
79.95733	0.8
83.01386	0.8
83.49801	0.3
83.83401	0.3
85.02944	2.3
87.00887	1.0
89.02443	3.1
93.03429	0.5
95.01389	1.8
95.95244	0.4
96.96002	4.8
97.02948	0.8
99.00885	0.6
101.02426	3.1
107.01389	3.5
110.00078	0.4
111.00875	2.1
112.98602	0.3
113.02444	2.7
119.03448	0.7
119.13711	0.3
121.02918	0.4
123.00878	12.5
124.01644	1.2
125.02442	16.8
127.00385	0.7
128.08710	0.4
131.03513	0.5
136.98808	0.9
137.02454	1.9
139.00372	4.7
139.03905	0.4
140.01207	2.2
141.01889	1.4
147.04541	1.7
149.04559	0.7
149.10031	0.3
151.00360	10.2
151.01563	0.6
151.03976	0.4
152.00862	0.4
153.01862	0.4
163.00369	0.4
163.03908	0.6
167.00128	0.6
168.00645	2.9
169.01411	23.5
170.01823	0.6
179.05632	0.3
181.04965	0.4
181.40602	0.3
211.02451	4.4
232.90187	0.4
243.02927	0.9
249.05981	0.8
253.03462	0.4
253.20804	0.4
255.03027	1.5
267.07275	0.8
271.01926	3.3
271.04941	4.8
272.17072	0.4
273.03064	0.5
300.02710	7.8
301.03461	2.6
302.03265	0.8
313.05652	2.4
316.02243	1.5
317.02963	0.3
318.02725	0.3
363.79974	0.4
387.09204	1.9
463.08789	10.2
463.22037	0.6
464.09100	0.6
465.09305	1.4
501.19785	100.0
502.20151	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	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73783	0.8
53.46466	0.8
55.01884	0.9
57.03430	1.7
58.00596	1.2
59.01377	28.5
62.66773	1.0
69.01630	0.8
69.03471	0.9
69.24164	6.4
69.24575	3.1
70.20422	0.8
71.01381	26.8
72.99315	1.3
73.02935	4.1
75.00867	2.0
83.01382	3.5
83.05031	1.6
85.02921	5.4
87.00851	1.9
87.04477	1.6
89.02449	10.8
96.96011	2.5
97.02933	2.3
99.00825	1.0
101.02441	9.3
101.74655	0.9
109.06549	1.3
111.04527	2.6
113.02470	6.9
113.06078	1.4
115.03986	1.5
117.03437	3.4
117.04260	1.0
118.16016	1.0
119.03503	2.5
121.10211	3.9
123.00793	0.9
125.02431	1.6
131.03458	1.1
133.05029	2.7
133.10170	2.7
134.25940	1.0
135.04471	1.4
135.08121	1.5
135.11818	7.8
137.09677	1.3
139.13882	0.9
145.02956	6.8
147.08282	1.0
147.11726	1.0
149.09727	4.9
159.08180	4.3
159.11781	10.0
161.09712	24.4
175.11250	2.2
177.12830	4.6
179.10764	26.5
189.12831	1.4
193.12285	7.4
203.10742	23.6
205.08598	1.5
221.11823	14.4
223.09760	10.4
227.03596	1.2
233.11812	2.3
251.12888	1.5
255.02690	1.6
265.10812	4.5
279.15912	1.2
281.13809	1.1
285.04007	7.3
295.10275	17.1
325.12900	5.6
365.50552	1.2
385.14914	2.3
444.40707	0.9
446.20731	0.8
457.20764	39.6
458.21207	2.7
467.01849	0.9
501.19711	100.0
502.19949	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	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09224	0.9
52.34157	0.9
55.01870	1.4
57.03431	2.3
59.01379	32.3
61.98811	3.3
68.02532	9.0
68.99557	1.2
69.03458	1.5
71.01381	27.1
71.05025	1.4
72.99307	1.5
73.02946	14.7
75.00874	1.5
80.61834	0.9
82.95410	1.2
83.01387	3.4
83.05012	2.6
85.02949	9.6
87.00843	2.1
87.04494	4.0
89.02440	7.8
95.01339	1.1
95.05029	1.6
96.95998	6.3
97.02951	4.6
97.06536	1.2
99.00882	1.7
99.04525	1.8
101.02427	13.2
101.05981	1.0
109.06556	1.3
111.04516	1.8
112.98534	2.1
113.02445	8.8
115.03992	2.4
116.41044	0.9
119.03475	3.3
124.25484	0.9
125.02415	1.6
125.06080	3.6
131.03490	1.8
133.05051	3.8
133.10246	1.7
135.11806	10.3
141.05557	1.0
143.08699	1.2
152.07190	1.1
159.08171	4.8
159.11794	5.1
161.04546	4.5
161.09709	17.4
163.11285	1.8
166.08675	1.9
175.11211	3.5
177.12799	4.4
177.85805	1.0
179.10767	42.6
181.12370	1.9
193.12308	13.9
203.10745	9.1
205.00681	1.0
205.08733	2.7
221.11804	12.5
223.09727	16.0
224.10027	1.2
245.05605	0.9
249.05972	1.1
255.16014	15.6
265.10782	7.2
267.07077	1.1
295.10104	8.3
317.13147	1.0
325.13007	9.9
339.12775	1.5
385.15002	4.1
414.13934	1.4
432.14841	1.0
433.13950	1.3
457.20770	21.2
458.20844	1.2
483.18350	1.9
501.19693	100.0
501.31284	4.7
502.20032	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	501.3218
Annotation	Dianic acid
Peak:m/z	Relative Intensity
59.01361	2.3
59.67416	0.7
61.98801	0.8
62.25310	0.7
67.58836	0.6
71.58245	1.0
74.75327	0.6
78.95912	0.8
84.98876	0.6
85.27206	0.7
90.58768	0.7
112.49595	0.7
134.31189	0.7
205.15842	0.8
223.87451	0.8
224.07158	0.7
241.81055	0.7
247.17264	0.7
260.18665	0.7
277.18704	0.8
277.21600	3.5
283.30957	0.8
295.14362	0.8
321.20609	1.6
391.29941	1.2
409.27402	0.9
425.26788	1.2
426.27487	1.9
427.32416	1.3
439.32162	14.0
440.32300	1.4
441.30154	2.8
455.31299	3.6
457.33218	38.8
458.33591	3.5
483.31528	1.0
501.32205	100.0
502.32755	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	501.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01373	2.3
61.98809	0.4
63.50760	0.4
69.03465	0.5
71.05039	0.9
71.59261	0.5
73.02965	0.4
83.05044	0.4
91.13810	0.4
94.50729	0.4
95.05019	0.9
97.06588	8.7
123.08168	4.4
125.09719	48.2
126.10049	0.7
127.11299	1.5
137.09773	0.4
139.11255	0.4
143.10794	1.5
155.10808	0.7
157.12273	0.9
163.84914	0.5
169.08664	0.7
171.10260	0.7
173.11816	4.1
174.66258	0.4
181.76067	0.4
187.09741	21.3
188.10132	0.5
201.11218	0.5
247.20715	2.3
249.15034	0.8
265.21768	1.5
291.19702	1.5
295.22836	1.1
309.20581	3.3
313.23816	5.4
314.24185	0.4
321.12207	0.5
327.21652	2.6
330.76846	0.4
331.24866	16.0
332.25378	0.8
345.22900	1.5
381.27811	0.5
421.31839	0.5
439.32321	1.7
455.31458	0.6
457.33191	3.1
465.32098	0.6
469.32605	0.5
483.32501	2.5
501.34241	100.0
502.34503	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	501.3579
Annotation	Lamesticumin A
Peak:m/z	Relative Intensity
59.01384	3.5
61.98811	2.0
69.37536	4.9
69.37968	6.6
199.76018	1.3
201.98862	1.5
279.65829	1.4
341.92908	1.6
347.38651	1.5
363.62009	1.6
383.29245	1.6
388.44742	1.5
407.33163	13.4
423.32504	1.8
425.34198	100.0
426.34485	10.3
439.32156	1.7
457.33588	2.6
469.33151	80.8
470.33249	6.2
471.59998	1.4
501.31610	21.6
502.32297	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	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61247	1.3
57.19844	1.1
59.01362	4.4
61.98797	1.1
63.05145	1.2
70.78180	3.4
71.05038	2.2
71.62739	1.1
81.50977	1.2
97.06596	1.2
98.19885	1.3
103.70705	1.2
110.35836	1.4
140.63757	1.1
191.14453	1.6
237.14946	1.5
249.15074	1.5
305.96481	1.3
324.72443	1.2
347.47995	1.2
379.29880	2.4
403.30057	2.0
405.31830	1.4
413.30685	2.1
439.32474	2.3
441.29593	1.3
449.30563	4.4
451.31760	3.0
455.31046	1.5
457.33374	6.6
467.31653	14.4
468.32053	1.6
469.33179	100.0
470.33627	8.2
483.31058	1.8
501.32190	34.0
502.32980	2.3
513.32159	17.3
514.32507	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	502.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.4
61.98829	15.0
69.03459	1.1
71.01379	5.6
74.89497	0.6
79.95718	1.6
82.95403	2.5
83.01363	1.3
84.56631	0.7
84.95080	1.4
85.02948	1.2
85.49217	0.7
87.00896	1.1
89.02450	2.7
95.01396	1.1
96.96005	24.2
97.02957	1.6
97.17831	0.6
98.20646	1.6
98.95592	1.0
101.02435	2.6
107.01385	5.6
111.00896	1.4
113.02466	1.2
115.92343	0.7
119.03477	0.7
123.00875	4.8
123.04514	1.4
124.01627	1.0
125.02438	45.3
139.00356	2.5
140.01198	1.4
141.01921	0.8
142.29016	0.7
151.00357	4.4
153.01895	1.3
153.05556	1.2
161.02417	0.8
164.03532	3.0
168.00621	2.2
169.01413	69.0
170.01753	1.2
181.01752	0.7
211.02594	1.0
241.03471	4.2
270.06778	0.7
279.08871	1.1
280.08939	1.1
313.05600	18.6
314.06165	0.9
439.08762	100.0
440.09198	5.8
467.11960	2.8
502.10498	1.5
502.17160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
58.00579	1.3
59.01103	2.0
59.01376	27.2
60.01708	1.3
60.25451	1.3
61.98812	7.9
65.31878	1.2
68.02541	2.0
69.03454	1.9
71.01379	25.4
72.99295	2.0
73.02939	11.9
79.95748	1.4
83.01388	2.5
85.02943	12.0
87.00893	2.1
88.98808	2.6
89.02436	11.7
95.01362	2.4
96.95996	6.5
97.02942	1.5
97.06536	1.2
99.00870	3.8
101.02431	15.6
108.04546	70.3
113.02451	11.1
117.03464	19.9
119.03521	1.9
119.05019	15.3
121.02924	1.1
125.02390	2.2
131.03511	2.8
135.04517	1.5
135.11760	1.6
139.11258	0.9
145.02945	97.0
146.03276	2.1
149.04529	4.6
150.04437	2.2
150.05602	37.9
161.04527	4.5
161.05954	1.5
161.09715	2.3
163.04007	15.6
163.11237	4.2
179.10732	4.2
180.11078	3.1
181.12332	21.9
191.05605	2.0
203.10760	1.7
222.12117	1.4
223.09793	1.3
223.13426	1.4
224.09975	1.3
225.11261	4.9
239.12930	1.8
242.66312	1.0
255.15898	2.9
256.16245	2.7
267.12372	3.7
296.10767	1.5
306.07764	1.7
307.08200	100.0
308.08463	4.4
319.49994	1.1
327.14447	3.1
371.20639	4.4
399.24438	1.2
458.14462	10.7
458.20908	4.3
501.19952	1.6
502.19766	17.8
503.20245	29.5
503.32309	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	503.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.7
59.01380	7.5
61.98840	4.3
71.01366	5.0
75.57551	0.6
80.96504	0.8
83.01382	2.1
85.02963	1.5
87.00879	1.7
89.02451	2.6
95.01417	1.4
96.96001	11.9
97.02932	1.4
98.95580	1.6
99.00878	2.4
99.04504	1.0
101.02465	2.6
108.02264	0.7
109.02933	3.4
111.00909	3.1
111.04536	1.1
113.02447	2.2
117.03460	0.9
118.98093	0.8
119.03517	1.1
121.02962	1.5
122.03746	1.2
123.00860	1.3
123.04523	3.0
125.02444	100.0
126.02783	1.9
133.02937	2.7
135.04539	4.2
137.02426	5.7
139.00374	6.7
139.04001	1.2
140.01164	1.2
141.01967	1.0
149.02408	1.8
150.03165	0.9
151.00391	1.1
151.04004	1.4
153.01965	4.2
154.02696	1.4
161.02434	31.9
162.03146	2.1
163.00183	0.7
164.01164	5.8
165.01945	4.3
165.05602	1.0
167.03413	1.2
169.01411	1.8
175.04030	2.3
177.05528	1.2
179.03510	1.7
179.05679	0.7
181.01381	3.8
182.08455	0.7
195.02985	2.0
197.60396	0.7
201.05647	1.4
203.03435	2.0
205.04857	0.7
217.04994	1.3
219.06599	0.8
231.02954	0.7
243.06590	1.1
244.03407	0.7
251.05399	0.7
269.04553	1.2
281.13870	4.4
287.05606	4.6
303.05106	1.7
304.05728	3.4
305.06638	30.2
306.06949	1.8
354.23993	0.8
383.09668	1.5
465.10324	0.8
467.11917	67.9
468.12354	4.4
503.13828	2.3
503.18054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82075	0.2
59.01364	0.8
61.98816	0.5
71.01374	0.9
71.60185	0.2
78.95904	4.1
79.95733	2.7
83.01325	0.2
87.00883	0.5
89.02450	0.6
96.96008	100.0
96.96907	7.5
97.69579	0.2
98.02477	0.3
98.95605	0.3
101.02455	0.5
113.02434	0.4
125.02401	0.8
161.02423	0.4
179.03487	0.5
179.05504	0.3
191.05614	0.2
195.06639	0.6
225.07686	0.4
259.01303	0.2
305.06863	0.4
306.21313	0.3
455.08524	0.3
489.89920	0.3
503.14969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03444	3.7
57.49128	0.2
58.00587	1.7
59.01376	30.8
59.19831	0.2
60.01736	0.2
61.02965	0.2
61.17500	0.2
67.01873	0.3
68.99810	0.4
69.03449	0.8
69.29128	1.9
71.01377	45.9
72.01717	0.3
72.99292	1.9
73.02940	13.6
75.00876	1.7
79.95728	0.4
81.03465	0.3
81.07879	0.2
83.01383	6.6
83.04993	0.2
84.02196	0.2
85.02944	19.4
86.00111	0.4
86.03283	0.3
87.00868	2.3
89.02438	14.9
90.02805	0.2
95.01377	3.4
96.96004	0.7
97.02933	1.5
99.00876	7.4
99.59647	0.2
101.02436	36.6
102.02806	0.3
105.07168	0.2
111.00890	0.7
113.02441	18.3
113.09893	0.2
115.04003	0.2
116.92852	0.7
117.01948	0.7
119.03494	3.9
120.05807	0.4
123.00857	0.2
123.04477	0.2
123.08115	0.4
125.02435	1.9
129.01921	0.7
131.03490	8.5
133.10228	0.8
134.95578	0.2
135.02991	4.0
135.11787	2.3
137.02417	0.3
137.09741	0.5
143.03485	2.9
146.07448	0.5
149.04536	2.3
149.09747	0.3
152.04698	0.2
159.02989	3.5
159.08159	0.2
159.11812	0.5
161.04544	23.2
161.09705	4.9
162.04889	0.2
165.12808	0.2
177.01889	0.3
179.05635	1.1
179.10770	12.5
180.11162	0.4
191.05594	1.1
203.10776	0.5
205.03548	0.6
205.08662	0.3
209.15462	5.1
215.05574	0.2
221.11914	0.2
223.09746	7.5
233.06761	0.3
234.24463	0.2
242.05722	0.2
251.03087	0.4
257.08264	0.4
297.13629	1.1
323.11261	0.6
341.12366	7.0
342.12711	0.5
350.14337	0.2
371.20697	100.0
372.21039	5.3
385.15018	1.0
443.18945	0.4
503.17728	5.6
503.24969	7.2
504.17709	0.4
504.24918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03452	1.9
58.00587	1.4
59.01376	33.9
61.59140	0.3
61.98824	1.1
65.00315	0.6
69.03443	0.7
69.32504	0.3
69.57091	2.0
71.01378	32.9
72.99300	1.8
73.02943	6.5
74.21559	0.3
75.00876	0.9
81.03456	3.9
83.01375	4.1
84.58871	0.3
85.02949	9.9
87.00871	3.3
89.02438	31.8
89.66180	0.3
95.01375	1.7
96.95996	1.5
97.02954	1.2
99.00883	1.9
99.04497	0.4
99.08148	1.2
101.02437	24.7
101.06094	0.8
107.01374	0.7
109.02959	0.6
111.00871	2.1
113.02438	10.4
115.04005	0.9
119.03495	5.1
119.04973	0.3
123.04574	0.3
123.08177	2.7
125.02438	7.0
125.06072	4.8
129.01898	0.3
131.03488	12.7
135.02986	0.4
135.04530	0.7
135.06616	1.0
135.11797	1.6
136.05281	0.7
137.02402	0.5
141.09201	0.5
143.03500	2.8
145.02910	0.5
147.08115	0.8
149.02563	0.6
149.04544	14.7
150.03191	0.5
151.00368	0.9
159.02983	0.7
159.08109	0.4
161.02446	0.8
161.04546	4.5
161.09663	1.8
163.04005	0.7
165.05537	1.0
165.09193	23.3
166.09483	0.6
177.01904	0.6
179.03477	0.7
179.05618	2.3
179.10759	8.5
191.05580	3.9
191.07127	1.4
195.06534	0.4
203.10669	0.5
205.08742	0.8
209.08167	100.0
210.08495	3.4
215.05603	0.7
217.14568	0.4
221.11781	0.4
223.09714	1.9
233.06465	2.4
235.13261	0.4
293.08670	0.9
297.08527	0.5
297.11990	1.4
341.12411	1.6
353.19760	0.6
371.20663	10.4
372.21103	0.5
385.14880	0.4
412.69501	0.4
443.18979	1.1
503.18268	9.9
503.24786	31.5
504.17883	0.4
504.26013	2.2
513.08252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03442	1.8
58.00584	1.3
59.01374	32.1
61.98828	1.0
65.00306	0.6
68.99576	0.5
69.03454	0.9
71.01376	29.9
71.59496	0.4
72.01711	0.5
72.99297	1.8
73.02946	5.5
75.00871	0.9
81.03447	3.5
81.78619	0.4
83.01373	4.3
85.02946	8.4
87.00868	3.1
87.04522	0.6
89.02437	27.7
93.03498	0.6
95.01373	1.5
96.95983	2.2
97.02972	0.9
99.00859	2.2
99.08139	0.7
101.02439	20.9
101.06109	0.6
109.02963	0.6
111.00892	1.9
113.02444	9.3
115.03989	0.4
119.03490	5.4
119.04975	0.5
123.04501	0.4
123.07324	0.4
123.08133	2.4
125.02438	6.8
125.06078	3.8
129.01881	0.7
131.03494	11.6
135.04515	0.8
135.06615	1.2
135.11774	1.2
136.05287	0.6
137.02492	0.8
137.06029	0.4
141.09135	0.6
143.03479	2.2
145.02966	0.5
147.08168	0.7
149.02472	0.7
149.04544	12.1
151.00356	1.0
161.02432	1.1
161.04544	3.1
161.09694	1.1
163.04062	0.5
165.09193	20.5
166.09471	0.6
177.01932	0.9
179.03494	0.6
179.05608	2.5
179.09331	0.7
179.10762	7.6
179.13179	0.4
191.05582	3.8
191.07143	1.0
193.12372	0.6
205.08591	0.6
209.08168	100.0
210.08504	3.4
223.09723	1.4
233.06612	1.6
251.09213	0.7
261.51642	0.5
293.08603	0.5
297.11902	1.2
337.86368	0.4
341.13361	1.6
353.19775	0.6
371.20709	7.8
443.18890	1.1
445.10968	0.4
503.17819	8.8
503.24533	22.6
504.24969	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	503.1768
Annotation	Tinosinen
Peak:m/z	Relative Intensity
55.01872	0.3
57.03446	2.0
58.00592	0.3
59.01377	18.5
61.98838	1.0
64.87253	0.3
65.00310	1.3
67.01891	0.3
68.02561	0.3
69.03471	1.0
70.20299	0.3
71.01382	9.6
71.04988	0.3
71.60812	0.4
72.99328	0.6
73.02939	3.0
73.03288	0.3
73.49210	0.3
75.00876	0.5
79.95734	0.5
81.03456	4.3
83.01389	2.9
83.05022	0.3
84.95135	0.2
85.02945	4.1
85.03453	0.3
87.00886	0.8
89.02441	5.7
93.03492	0.4
95.01403	0.9
95.05033	0.5
96.03849	0.3
96.96012	2.1
97.02959	1.2
99.00860	2.0
99.08153	1.7
101.02437	4.7
101.06083	0.7
109.06592	0.3
111.00874	0.5
111.08183	0.5
112.01668	0.5
113.02436	3.5
119.03511	0.6
119.38163	0.2
121.02979	0.6
121.37840	0.3
122.03764	1.0
123.00890	0.3
123.04556	0.4
123.08149	2.6
124.01707	0.6
125.02440	9.6
125.06073	4.3
127.11291	0.6
131.03528	1.3
132.47302	0.3
133.05023	0.3
135.04552	0.4
135.08209	0.3
136.05293	0.6
137.02435	0.5
137.06102	0.3
137.09709	1.2
141.09180	0.6
143.03526	1.0
145.02951	0.6
147.08134	0.5
149.02454	1.7
149.04535	2.1
151.00371	0.9
152.01129	1.1
153.12810	0.7
155.10751	1.8
157.12334	0.8
161.04601	1.3
161.09766	0.3
163.11275	0.5
165.09198	35.3
166.09520	1.3
167.03413	0.4
167.07108	0.4
175.00400	0.6
176.53441	0.3
177.09193	0.6
179.05614	0.6
179.07117	0.7
179.10738	0.6
181.12370	1.4
191.05574	0.5
191.07129	0.7
191.14474	0.4
193.08679	0.9
195.85388	0.3
201.14941	2.0
205.08740	0.8
209.08170	100.0
210.08476	2.9
215.07095	0.8
221.08139	0.5
222.08957	0.4
223.09764	2.1
225.11238	1.4
229.14455	0.3
230.15230	0.7
233.08163	18.9
234.08405	0.5
251.09238	5.9
252.09541	0.5
255.16293	0.3
263.09265	0.9
275.09256	1.8
307.73273	0.3
326.11386	0.4
341.26474	0.5
359.27924	3.6
371.20706	1.4
399.23871	1.0
417.24603	0.8
488.17606	0.4
503.17569	55.1
503.32010	18.7
504.18100	4.0
504.32501	0.5
511.44470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79579	0.1
55.01873	3.0
57.03444	3.2
58.00587	1.3
59.01376	28.6
60.01692	0.2
61.98808	0.2
67.01908	0.3
68.99815	0.3
69.03448	1.4
71.01376	46.2
71.61883	0.1
72.01709	0.3
72.99303	1.8
73.02941	18.1
75.00867	1.5
79.01824	0.1
81.03454	0.7
83.01382	7.3
83.05042	0.1
84.02119	0.1
85.02946	19.4
86.00098	0.4
86.03276	0.2
87.00870	2.5
89.02439	17.5
90.02809	0.2
93.03466	0.2
95.01378	2.8
96.96014	0.3
97.02943	2.2
99.00874	9.9
99.04520	0.6
100.01197	0.2
101.02437	36.1
102.02769	0.7
109.02969	0.1
111.00875	1.0
113.02441	16.3
114.02757	0.1
115.04002	2.0
117.01889	0.1
119.03495	2.7
119.04317	0.2
123.08131	0.3
125.01517	0.2
125.02435	4.2
127.04005	0.2
129.01950	0.7
131.02518	0.2
131.03494	3.1
135.02998	0.3
135.11795	0.3
137.09729	0.6
139.04057	0.1
141.01976	0.2
143.03479	2.2
149.04550	3.8
149.09744	0.3
151.11296	0.1
159.02980	3.1
161.04546	13.6
161.09698	0.3
162.04912	0.2
165.09258	0.2
165.12888	0.2
173.04431	0.1
175.06096	0.2
179.05612	0.4
179.10764	0.6
181.28351	0.1
191.05583	1.3
205.03456	0.2
209.08177	1.1
209.15459	5.3
210.15822	0.2
215.05557	0.3
223.09731	0.4
233.04329	0.2
233.06625	2.8
233.15323	0.3
251.07750	0.1
275.07697	0.2
279.16031	0.3
293.08801	1.7
341.12469	0.4
353.19647	0.3
371.20694	39.2
372.21030	2.4
503.24930	100.0
504.25296	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26256	0.2
55.01876	3.0
57.03443	3.1
58.00599	1.0
59.01377	27.7
60.01719	0.2
67.01900	0.3
69.03452	1.2
70.06303	0.9
71.01377	40.5
72.01756	0.2
72.99306	1.4
73.02940	16.2
75.00864	1.4
79.01894	0.2
80.41345	0.2
81.03429	0.6
83.01381	6.1
84.02171	0.2
85.02945	17.5
86.00067	0.3
86.03265	0.4
87.00874	2.2
89.02441	17.1
95.01385	2.7
96.95966	0.3
97.02953	2.6
97.68639	0.2
99.00874	9.2
99.04514	0.4
101.02436	32.3
102.02809	0.2
111.00859	1.0
111.83505	0.2
113.02441	14.3
115.03986	1.5
119.03498	2.5
123.04528	0.3
123.08185	0.3
125.02431	3.4
127.04002	0.3
129.01921	0.8
131.03484	2.7
135.11777	0.3
137.09769	0.5
143.03477	2.3
149.04546	3.1
159.02997	2.6
161.04547	12.3
161.09731	0.3
162.04900	0.3
165.12840	0.4
171.32503	0.2
179.05562	0.5
179.10757	0.9
186.08472	0.2
191.05592	1.3
209.08136	0.5
209.15445	4.6
212.50487	0.2
223.09753	0.6
233.06625	2.1
293.08737	1.5
341.12466	0.6
353.19922	0.2
371.20691	36.1
372.21072	2.2
487.87686	0.2
503.24948	100.0
504.25293	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03448	2.4
58.00586	2.8
59.01376	58.1
59.45755	0.4
61.98820	1.6
69.03450	1.5
71.01377	55.8
71.59393	0.6
72.99303	3.2
73.02941	13.8
75.00869	2.2
79.95725	0.7
80.35538	0.4
81.03423	0.6
83.01378	6.2
85.02949	13.3
87.00874	3.4
87.04571	0.4
89.02440	52.7
90.02802	0.5
95.01374	2.9
96.95994	4.2
97.02962	2.1
97.06598	0.5
98.95671	0.4
99.00870	14.4
99.04514	0.8
101.02436	37.9
111.00900	1.0
113.02442	20.5
115.04016	1.7
117.05592	0.6
119.03497	13.9
120.99692	0.6
123.08195	0.5
125.02452	5.0
131.03493	6.7
132.03012	1.0
135.02980	4.9
135.04558	0.6
135.06635	1.0
135.11821	2.0
143.03497	3.8
149.04565	15.8
149.06078	2.8
150.04965	0.4
151.00421	0.5
155.10800	0.7
159.02983	1.1
161.02518	0.8
161.04552	12.4
161.09735	1.6
165.09248	2.2
165.12762	0.4
170.25911	0.5
179.05623	7.6
179.09303	0.3
179.10753	9.3
191.05594	4.3
191.06926	0.5
191.14410	0.8
195.06247	0.5
209.08163	8.8
209.15491	1.0
215.05757	0.5
221.06697	0.6
223.09755	2.9
233.06599	2.6
251.07771	1.4
279.10947	0.5
293.08923	1.9
297.12076	1.9
304.42038	0.5
311.09299	0.5
341.12430	3.2
355.12723	0.5
358.78128	0.5
371.20703	25.8
372.21265	1.7
385.15189	0.6
459.18198	1.5
467.24982	1.6
483.54712	0.5
488.16193	0.5
503.25150	100.0
504.25497	8.2
525.08435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0984
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
55.01864	0.3
56.28086	0.2
57.03436	0.6
58.00579	0.9
59.01377	23.1
59.87482	0.2
61.26268	0.2
63.02387	0.9
65.00307	1.5
69.00261	0.2
69.03455	0.3
69.26760	2.2
71.01379	18.5
72.99306	1.1
73.02945	4.3
79.95727	0.5
83.01375	2.1
85.02948	4.7
86.00095	0.3
87.00880	2.4
89.02440	26.8
93.03445	0.3
95.01381	0.5
98.20654	0.4
99.00883	2.9
101.02441	14.8
107.01381	2.4
108.02185	1.9
109.02937	1.6
111.00883	0.4
113.02444	4.7
119.01374	0.4
119.03499	2.3
121.02943	1.3
125.02409	1.3
131.03490	12.3
135.00858	1.1
136.01619	0.2
143.03477	0.6
148.01663	1.6
149.04547	21.7
151.00357	10.7
153.01894	0.2
159.03012	0.4
161.04530	2.2
163.00351	2.8
164.01128	0.7
169.01431	0.3
171.04553	0.4
175.04041	0.4
178.99828	5.0
179.05571	0.6
183.04480	0.3
187.03976	0.6
190.99966	0.4
191.05589	5.9
192.00586	0.4
193.01410	0.3
196.47781	0.4
199.03918	1.1
201.01880	0.5
201.05534	0.3
203.03473	0.6
203.17473	0.2
203.98880	0.2
211.03999	1.0
213.01953	0.3
215.03491	0.7
216.04224	0.6
221.06618	0.4
226.02679	1.8
227.03481	3.3
228.04169	0.3
229.01421	0.4
229.05045	0.6
229.59937	0.2
234.27510	0.3
239.03453	0.3
243.02966	11.5
243.97012	0.3
244.03502	0.7
244.96774	0.3
245.04439	1.4
251.07704	0.9
254.02179	2.5
255.02965	28.4
256.03384	1.2
271.02451	65.0
272.02966	4.0
273.04056	1.1
283.02377	1.4
293.08786	0.3
299.02100	1.3
300.02719	100.0
301.03455	39.2
302.03897	1.7
343.04395	0.6
373.22281	7.8
374.22672	0.4
426.11923	0.3
463.08746	3.1
505.09845	71.8
506.10162	5.8
506.26590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01176	0.5
55.84649	0.4
56.46143	0.4
58.94782	0.4
59.01382	3.0
61.98814	1.5
65.95050	0.5
69.20991	0.6
69.83797	2.6
72.99310	0.7
84.63441	0.5
101.71135	0.5
101.82092	0.6
121.02947	100.0
122.03278	1.5
129.61406	0.5
138.92261	0.5
181.06570	3.4
197.06073	2.6
207.04568	1.1
207.08127	0.6
208.42865	0.5
225.05566	1.9
229.93129	0.6
234.69029	0.6
257.09665	1.0
313.07062	4.5
317.23169	0.6
357.06302	1.1
383.07697	1.0
417.09753	9.5
418.09827	0.7
460.35855	0.5
461.12357	0.8
487.34457	0.6
504.34381	1.9
505.11340	10.3
505.35892	6.9
506.11697	0.9
526.21002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43735	1.1
59.01378	7.0
60.99305	13.5
69.81432	5.1
71.01387	6.0
72.64384	0.8
72.99326	1.7
73.02962	1.5
85.02956	2.9
87.00872	1.4
87.33530	0.9
88.98801	95.7
89.02444	2.1
95.01366	1.7
96.96004	24.2
98.20672	1.0
98.95599	2.1
101.02448	2.8
107.01393	2.5
109.02934	2.3
111.04507	1.0
113.02449	2.1
120.99652	1.2
123.00890	8.2
125.02442	9.4
139.00349	3.8
140.01144	2.9
151.00359	9.1
151.03996	1.0
153.05489	0.8
154.51285	0.8
161.38518	0.9
165.01920	1.2
168.00629	2.4
169.01418	16.2
177.04074	1.6
195.06458	1.0
211.02411	2.2
215.00021	1.0
215.22791	0.9
226.06339	1.4
227.07164	1.3
253.08731	1.0
255.10191	7.7
271.04675	2.3
296.38861	1.0
313.05566	1.2
320.53403	1.0
415.12405	100.0
416.12793	5.6
459.14661	1.1
505.13501	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	505.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59960	0.9
55.01872	2.5
57.03449	8.6
58.00582	3.7
59.01376	90.1
61.98803	3.7
69.03448	2.8
71.01376	67.6
72.99306	6.9
73.02941	15.4
75.00856	1.9
77.97855	0.9
79.95708	1.7
81.03448	1.8
83.01382	11.2
85.02947	24.6
87.00859	6.1
87.04491	4.5
88.91495	0.9
89.02441	70.8
93.03453	8.8
95.01382	5.3
96.95993	2.2
97.02930	2.9
99.00883	10.2
99.04442	1.2
101.02436	43.5
102.98532	0.8
105.03433	1.3
109.02929	1.0
109.06613	1.0
111.00877	2.0
111.08108	1.4
112.01678	1.5
113.01713	1.5
113.02447	21.9
116.81045	0.9
117.51860	0.9
118.84859	1.0
119.03487	7.1
120.05640	1.0
123.04499	1.7
123.08127	2.3
123.48717	1.0
124.01601	2.7
125.02411	6.6
129.01903	1.6
131.03493	42.9
133.02904	2.3
135.08121	1.7
137.02441	14.1
139.11290	1.1
141.12810	2.1
143.03458	4.3
143.10741	2.1
149.02536	2.0
149.04546	47.1
150.03162	1.1
151.03940	1.3
151.11206	1.5
153.05487	1.0
153.09160	1.9
155.10768	1.7
157.12442	1.0
159.03011	1.2
161.04544	7.5
165.05504	2.0
167.03528	1.3
171.13870	3.9
173.11874	1.0
177.01910	23.1
179.03336	1.5
179.05652	1.0
183.13890	1.4
187.13327	3.0
191.05602	30.6
192.05951	1.1
199.09674	1.1
200.14195	1.0
201.14938	4.3
217.14394	1.4
233.06586	1.6
241.14319	1.6
245.01265	1.0
271.02280	1.1
293.08823	2.3
313.16748	4.9
315.25275	1.2
341.91556	1.0
343.13446	1.0
343.28351	1.4
359.27945	3.5
361.29602	12.7
373.22116	5.1
445.20697	31.4
446.21185	2.4
475.32751	2.2
505.20349	5.7
505.26593	9.5
505.33670	100.0
506.27423	1.8
506.34143	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	505.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.1
61.98823	1.4
66.79768	0.8
71.29198	1.1
71.29526	0.8
76.61755	0.8
78.95895	10.9
96.96945	0.9
136.14731	0.8
152.99577	15.3
171.00568	1.6
205.96519	0.9
221.53804	0.9
227.03233	3.4
245.04291	2.2
277.21683	100.0
278.22028	6.6
280.23550	2.5
297.17075	1.3
451.28186	0.9
505.25574	33.9
505.34863	14.4
506.25436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
57.03452	2.9
58.00596	2.0
59.01377	49.8
60.01705	0.3
61.98829	2.7
68.99826	0.4
69.03450	0.8
71.01379	58.6
71.60482	0.3
72.01725	0.6
72.99298	2.6
73.02945	19.4
75.00880	1.1
75.22185	0.2
76.42142	0.3
77.49427	0.2
79.95737	2.4
81.03458	0.3
81.95315	0.3
83.01386	8.4
84.02153	0.3
85.02949	23.0
86.00107	0.7
86.03286	0.3
87.00874	2.3
89.02441	40.7
95.01385	4.0
96.96011	0.8
97.02937	1.7
99.00876	16.8
99.04527	0.4
100.01247	0.4
101.02438	49.0
102.02772	0.5
103.04037	0.2
106.47137	0.3
107.01379	0.4
108.02193	0.3
111.00871	0.9
113.02445	21.7
114.02803	0.5
115.04007	0.5
119.03506	5.8
125.02445	3.2
129.01962	1.1
131.03496	26.3
132.03853	0.4
136.01639	0.6
137.02420	0.3
143.03500	3.6
149.04547	26.1
150.04883	0.4
150.29346	0.3
151.00381	1.3
151.03998	0.6
159.02991	3.2
161.04544	23.2
162.04861	0.5
163.00407	0.2
175.03960	0.3
178.99828	0.5
179.05594	2.0
179.47124	0.2
183.76859	0.2
191.05589	6.8
196.47794	0.9
203.03586	0.2
203.98967	1.6
204.49190	0.3
204.98721	0.3
205.03503	0.5
205.49229	0.2
221.06639	1.3
226.02716	0.3
227.03552	0.3
233.06569	0.6
243.02882	1.5
243.96764	2.4
244.46921	0.7
244.96655	0.8
245.46939	0.5
251.07722	2.5
254.02103	0.3
255.02965	3.4
271.02454	8.5
272.02936	0.6
275.58560	0.3
281.17416	0.3
287.24319	0.2
293.08838	0.6
300.02728	13.1
301.03455	4.2
311.09793	0.6
312.99850	0.6
314.00269	0.4
328.02054	0.4
343.11841	1.0
355.21249	1.4
373.22269	100.0
374.22574	5.6
406.14111	0.3
417.21182	0.7
463.08508	0.6
469.13684	0.4
505.09940	9.2
505.26526	20.9
506.10162	0.6
506.26810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50386	0.2
55.01875	3.3
57.03441	2.5
58.00589	0.7
59.01377	22.4
68.89452	0.2
68.99823	0.2
69.03433	1.0
69.28996	1.6
71.01377	38.4
72.01721	0.5
72.99300	1.3
73.02943	16.8
75.00859	1.4
79.95727	0.3
81.03455	0.5
83.01383	6.5
83.05018	0.2
84.01691	0.2
84.02157	0.4
85.02945	18.1
86.00108	0.9
86.03309	0.2
87.00874	2.5
89.02438	10.7
95.01382	3.1
97.02937	1.9
99.00874	7.9
99.04501	0.4
99.82662	0.2
101.02436	32.6
102.02777	0.4
109.02917	0.2
111.00880	1.3
113.02441	14.7
114.02779	0.2
115.04014	1.7
119.03468	1.4
125.02442	2.7
125.20972	0.2
126.92687	0.2
127.04038	0.3
129.01927	1.0
131.03502	2.3
141.01985	0.2
143.03500	1.8
149.04552	1.4
149.56412	0.2
159.02983	2.6
161.04543	12.5
179.05609	0.3
191.05641	0.8
192.61314	0.2
203.98933	0.2
233.06578	1.3
255.03072	0.3
271.02475	0.6
293.08798	0.7
300.02673	0.9
301.03418	0.3
355.21332	0.5
373.22269	31.4
374.22601	1.8
380.36398	0.2
417.21335	0.4
487.25632	0.3
505.26511	100.0
506.26804	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	505.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03446	1.4
58.00593	1.2
59.01376	37.3
60.01701	0.2
61.98822	0.5
69.03458	0.7
69.26402	1.1
69.26815	0.4
71.01377	35.5
71.05016	0.3
72.01706	0.4
72.99300	1.6
73.02943	10.9
75.00858	0.8
81.03440	0.4
83.01382	3.5
85.02945	10.7
87.00866	1.8
89.02439	29.8
90.02787	0.2
95.01393	2.0
96.96006	0.3
97.02966	1.5
98.19859	0.4
99.00874	9.6
99.04525	0.4
101.02438	26.5
102.02814	0.3
111.00874	0.5
113.02441	12.4
115.04011	0.9
116.31010	0.2
119.03500	6.1
125.02430	3.1
125.05995	0.1
127.03957	0.2
129.01921	0.4
131.03490	4.1
137.02432	0.5
137.09691	0.5
137.27094	0.2
143.03490	2.0
149.03334	0.3
149.04544	7.1
150.04880	0.2
159.02994	1.3
161.04541	7.8
179.03343	0.2
179.05652	1.1
191.05582	2.8
200.02353	0.2
211.16977	0.9
215.05611	0.2
221.06633	0.2
233.06642	1.9
251.07704	0.6
275.07623	0.3
293.08688	1.6
313.16678	0.2
373.22260	22.0
374.22568	1.3
445.20267	0.2
505.26501	100.0
506.26825	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	505.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
56.99821	0.2
57.03449	0.9
58.00586	1.5
59.01377	36.1
60.01715	0.3
61.98838	0.3
69.03457	0.8
69.25505	1.5
71.01378	36.1
71.05024	0.2
72.01741	0.4
72.99303	1.6
73.02942	10.3
75.00873	0.9
81.03455	0.4
83.01385	2.9
85.02946	9.7
87.00867	1.9
89.02441	29.6
90.02763	0.2
93.03452	0.3
95.01370	1.8
97.02942	1.8
97.14840	0.2
98.47909	0.2
99.00878	9.2
99.04514	0.4
101.02440	24.5
102.02766	0.4
104.34816	0.2
111.00854	0.4
113.02445	12.3
115.03967	1.2
119.03500	6.2
125.02435	2.3
129.01999	0.4
131.03499	3.9
137.02441	0.4
137.09694	0.4
143.03505	1.7
149.04549	7.3
159.02969	1.6
161.04544	9.7
166.09515	0.2
177.01897	1.0
179.05583	0.8
191.05606	2.5
191.07166	0.3
196.13252	0.2
209.08231	0.6
210.08475	0.2
211.08629	0.2
211.16943	1.0
233.06586	1.8
235.08720	0.2
251.07663	0.6
251.55255	0.2
255.33684	0.2
285.58838	0.2
293.08752	1.3
358.41467	0.2
373.22272	19.6
374.22430	1.0
391.93985	0.2
402.52679	0.2
428.85358	0.2
445.20767	0.5
505.26517	100.0
506.19250	0.4
506.26816	7.1
520.36975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85497	5.0
61.98826	100.0
71.58243	4.2
74.95826	3.9
96.57770	4.3
96.96017	8.1
201.53131	4.3
351.70599	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.8
62.07240	0.5
62.68440	0.5
71.01382	1.3
72.99306	0.9
75.00861	1.7
87.00870	23.6
88.35382	0.4
89.48184	0.5
98.20602	1.7
99.00888	3.3
101.02443	1.4
105.01929	23.3
117.01923	1.0
135.03023	0.8
140.67554	0.5
147.02980	4.2
165.04027	100.0
166.04343	1.7
191.05646	0.5
348.88391	0.5
352.29773	0.6
450.40918	0.5
494.47205	0.5
505.65033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.3
59.01434	5.2
60.92718	0.2
61.71017	0.3
61.98888	2.2
63.25117	0.3
68.99897	0.3
71.01450	1.9
71.59434	0.4
72.99353	0.6
73.03001	0.7
74.11314	0.3
79.95796	0.8
84.04594	0.6
85.03020	1.2
87.00907	0.4
88.98883	1.2
89.02438	1.4
93.03516	0.4
94.03085	0.5
94.82285	0.3
95.01463	0.5
95.03817	0.6
96.04597	0.4
96.08250	0.6
96.96019	1.5
97.03060	0.3
101.02448	1.4
104.05102	0.6
106.06599	1.4
108.04640	1.0
109.03016	0.6
110.06124	0.3
112.04102	0.3
113.02515	1.0
121.03001	0.5
122.06107	1.5
123.04605	0.4
124.07663	3.2
125.02447	1.8
131.03545	0.4
132.04549	21.6
133.05344	10.4
134.06128	2.9
137.02518	0.3
138.05646	0.5
148.04091	0.7
149.04709	0.5
150.05580	1.5
153.09230	0.4
165.04297	12.6
166.04747	0.3
167.07217	0.4
168.02165	0.3
169.01407	1.9
176.03642	1.2
176.07246	0.5
177.04288	2.7
178.05174	1.2
184.07668	0.3
186.09221	2.1
191.05667	0.4
198.09349	0.4
209.03284	4.3
211.09869	0.3
213.06712	1.0
213.13953	0.3
214.12343	3.3
215.11850	4.4
226.07382	0.4
227.08269	0.7
229.09790	2.2
239.32837	0.3
240.10608	1.7
241.09720	2.7
253.06255	0.3
255.11386	0.8
257.12933	18.6
258.13321	1.0
267.07257	0.5
283.10843	8.8
284.10977	0.5
289.07001	0.3
300.10092	0.5
301.11908	11.4
311.09137	0.4
312.09943	0.9
313.00116	0.3
313.05649	0.8
315.12366	1.8
327.09204	0.7
327.13062	1.9
345.10867	100.0
346.11185	6.6
387.11975	0.8
389.08749	0.4
417.13760	1.3
442.89545	0.3
464.11935	2.2
504.88702	0.4
507.15991	11.5
508.16696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	23.1
61.98816	4.4
65.75676	0.9
69.56953	2.4
69.57370	4.1
71.01369	8.0
72.99312	1.9
73.02935	2.4
73.87585	1.1
75.00852	1.5
79.95745	1.6
83.01393	1.0
85.02931	4.4
87.00845	1.6
87.20889	0.9
89.02433	4.2
93.03413	2.0
95.01386	2.0
95.05054	1.1
96.95993	5.3
97.02905	1.2
98.20637	1.5
99.00871	2.6
101.02435	4.2
101.06072	4.6
107.01390	4.1
108.04549	18.1
113.02459	4.7
116.92855	4.0
117.01915	1.5
119.03509	1.8
120.99662	6.1
121.02937	1.9
122.06106	1.5
123.00848	4.2
123.04506	1.5
124.07658	4.0
125.02435	19.3
132.04543	21.0
133.05334	10.0
134.03699	2.3
134.06087	3.2
135.04486	1.3
137.02454	2.0
139.00348	1.2
145.02910	1.9
148.04021	1.5
149.02420	1.1
150.05585	6.9
151.00386	3.1
151.03984	2.3
155.03555	1.1
161.02451	1.5
161.04510	1.2
165.01945	1.4
165.04332	10.7
167.07089	2.8
168.00764	1.1
169.01413	25.5
177.04230	1.3
178.05078	1.7
179.03494	1.3
179.05577	1.9
179.07043	1.9
186.09219	1.0
198.09106	1.3
209.03293	5.0
209.08109	1.0
214.12288	2.0
215.11832	2.9
226.07367	1.2
229.09792	1.9
236.36095	1.0
240.10313	1.3
241.09831	2.2
249.06081	1.6
255.06631	4.0
256.10983	3.8
257.12955	18.4
267.06787	3.3
269.08102	3.6
273.08789	1.4
283.10861	8.2
284.10617	3.3
285.26892	1.1
289.07068	1.5
295.09689	3.1
296.10574	5.5
297.11179	3.0
299.09143	2.5
300.09976	18.6
301.11862	10.0
310.08542	1.6
311.09229	12.4
312.09976	22.5
313.05722	15.8
313.09637	1.5
315.12366	41.4
316.12750	2.0
327.12366	57.4
328.12634	4.6
345.10764	100.0
346.11194	4.1
351.12985	2.0
447.22601	1.8
464.11899	40.0
477.17410	4.4
489.17810	2.4
507.17105	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	507.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03416	1.8
58.00587	3.0
59.01376	99.7
61.98828	23.7
69.03443	4.8
70.28491	4.5
71.01378	90.9
72.99302	4.8
73.02935	9.5
73.42954	1.3
75.00883	4.5
79.95778	1.4
81.03455	3.8
82.95396	1.4
83.01389	4.8
85.02937	13.3
87.00901	2.8
88.98823	3.5
89.02441	100.0
95.01387	4.8
96.96005	30.1
97.02930	9.1
99.00868	6.2
101.02437	26.5
105.50928	1.4
113.02447	18.7
116.92828	2.7
119.03496	4.4
123.00877	22.0
123.04497	7.5
125.01504	2.7
125.02435	49.0
131.03493	20.6
138.03224	24.2
142.17775	1.3
143.03528	7.6
149.04543	24.7
153.05574	16.2
161.04535	12.2
169.01422	2.3
173.04515	1.9
177.01820	3.3
191.05620	4.1
204.06595	2.0
233.06631	10.1
249.06161	2.3
275.02084	1.5
293.08755	61.2
294.09207	1.7
301.00006	2.2
315.10916	2.5
327.13297	4.3
345.10345	2.9
444.19275	1.5
445.13339	4.2
447.14832	3.1
471.14963	1.7
507.17340	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	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25994	2.3
59.01377	62.3
61.98826	30.1
69.03473	5.3
69.56814	13.1
71.01376	62.9
72.99322	3.2
73.02940	10.1
75.00844	7.4
81.03440	5.3
82.95406	7.3
83.01385	5.6
85.02943	13.6
87.00852	7.5
88.98785	3.3
89.02441	73.8
96.95988	10.2
97.02940	9.9
97.06590	8.9
98.20612	4.8
99.00881	17.0
101.02452	12.8
109.02960	2.7
113.02451	12.2
115.03992	8.1
123.00882	14.8
125.02435	41.7
131.03464	7.3
138.03233	17.9
143.03439	4.4
149.04567	13.5
153.05460	2.9
191.05544	8.1
212.27344	2.3
233.06662	28.7
249.06125	6.2
267.07132	10.7
275.48871	2.5
293.08762	100.0
315.12253	2.3
350.36554	2.6
354.93033	2.6
391.12164	5.5
415.53430	2.8
447.15036	13.7
507.17081	29.2
508.17767	3.4
531.20270	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63959	0.7
59.01377	100.0
60.01709	0.9
61.98833	3.1
63.04079	0.7
69.73609	4.0
71.01385	8.8
72.99327	0.7
73.02950	3.2
73.38415	0.6
75.00891	1.1
79.72112	0.7
85.02935	3.2
87.00882	1.5
88.98795	0.9
89.02435	3.4
93.03463	0.9
95.01391	1.4
96.96008	6.5
99.00879	1.4
101.02429	3.8
101.06101	1.5
113.02439	4.1
125.02454	2.0
131.03622	0.6
133.05061	2.2
137.02432	1.1
151.04041	1.4
153.05507	1.8
161.04539	7.9
163.03857	0.9
169.01382	1.0
181.03435	1.6
181.05058	34.3
182.05290	0.9
192.00710	0.8
196.07390	41.4
197.07841	1.5
211.09743	96.6
212.10048	3.8
221.09741	0.7
223.25179	0.7
235.08221	6.6
289.07135	0.7
373.14816	1.7
392.17548	0.7
447.18619	5.5
507.16275	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49562	1.1
55.01875	3.6
56.54442	1.0
57.03439	2.8
59.01379	34.9
59.01679	1.8
61.98824	1.0
68.89755	0.8
69.30363	8.1
71.01376	52.6
72.67085	0.8
72.99289	1.0
73.02942	15.9
83.01391	6.8
85.02945	22.8
87.00865	2.6
89.02441	14.8
89.02985	1.2
95.01380	3.8
97.02956	2.5
99.00890	6.2
101.02432	34.5
101.03090	1.8
113.02444	21.1
115.99413	1.1
119.03483	4.0
125.02467	2.7
129.08955	0.9
131.03520	1.9
143.03473	2.3
147.22868	1.3
149.04564	1.6
159.02934	4.0
161.04538	26.9
315.18082	86.2
316.18375	4.2
447.22324	100.0
448.22729	5.8
507.27136	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96397	0.5
59.01369	1.7
61.98824	2.1
70.35492	1.5
78.95896	6.7
95.39027	0.7
96.95997	0.6
141.32997	0.6
152.99583	13.2
171.00670	1.5
208.03613	0.5
227.03307	2.5
245.04314	1.8
261.22131	0.6
279.23267	100.0
280.23679	5.6
444.14023	0.7
493.28772	0.6
495.06531	0.7
507.27216	34.2
507.34073	1.3
508.27798	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	507.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15356	61.4
57.80841	46.8
57.87303	47.2
71.34000	100.0
71.34341	76.6
125.76299	58.2
139.56349	54.5
141.57208	54.1
180.37354	60.6
192.33827	54.0
387.87106	60.1
507.32352	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.5
60.63634	8.6
61.16896	11.8
61.98821	13.6
69.34479	48.2
69.34904	30.0
76.21590	8.6
162.08191	8.0
170.25456	9.1
187.77122	8.9
382.88712	9.6
421.81482	10.8
471.34824	26.6
482.49445	9.7
507.32352	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	508.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.9
61.98820	7.7
71.01372	6.0
71.58268	0.8
72.99302	0.7
73.02946	4.9
79.01866	0.6
79.97270	0.5
83.01405	0.9
85.02943	2.8
87.00909	1.1
87.57298	0.5
88.98834	0.6
89.02439	2.3
95.01385	1.2
96.95996	5.9
97.02918	0.7
101.02441	2.9
103.04027	0.9
107.01386	2.6
113.02446	2.1
119.03514	1.0
123.00887	8.9
123.04440	0.6
125.02444	17.0
125.67612	0.5
131.03473	2.6
137.02446	0.7
139.00359	3.3
140.01100	0.9
141.01881	1.1
151.00374	7.4
153.01927	0.7
161.04492	0.6
163.03987	0.9
165.01924	0.6
165.04077	0.6
168.00694	2.5
169.01404	28.8
170.01805	0.8
179.03433	0.9
183.79169	0.6
211.02467	2.4
225.07600	0.5
235.84703	0.5
253.03453	0.8
261.86371	0.5
271.04541	1.9
281.63339	0.5
293.08881	0.6
295.26843	0.5
300.99747	0.6
313.05600	8.4
343.80432	0.5
387.09299	3.7
399.09329	2.5
445.09808	100.0
446.10248	5.3
455.68750	0.5
473.12701	0.6
508.17203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01376	2.9
61.98828	2.6
64.02357	0.5
65.00343	0.5
69.97124	0.5
71.01379	4.0
72.99317	0.7
73.02930	1.0
79.01886	1.0
83.01376	1.8
85.02956	1.6
87.00860	0.7
95.01405	1.2
96.96029	1.2
97.02934	0.5
101.02433	2.5
101.06094	0.8
107.01388	9.2
108.04550	45.4
109.02931	0.8
109.04868	1.4
111.00899	1.2
113.02444	2.1
120.99648	0.8
123.00883	11.2
123.04504	1.2
124.01677	0.9
125.02442	48.0
126.02750	1.2
126.20679	0.5
136.98813	0.7
137.02409	1.3
139.00345	3.6
139.03967	0.9
140.01134	2.0
141.01964	0.9
150.05605	15.6
150.06804	0.8
151.00356	6.2
151.03993	2.6
161.02417	1.4
168.00629	3.9
169.01421	64.7
170.01698	1.2
177.01836	0.7
179.03510	1.0
187.03961	0.5
211.02470	2.1
213.32346	0.6
223.02515	0.6
241.03442	1.1
253.03436	0.7
271.04565	1.7
284.10318	0.9
289.07104	1.3
300.09912	0.6
301.10297	0.9
303.04996	1.1
312.09918	1.5
313.05646	33.7
313.09409	1.2
314.05933	1.7
315.12302	1.5
316.12750	1.6
318.28452	0.6
327.12323	2.0
328.12708	2.9
366.21420	0.5
464.11932	100.0
465.12247	7.0
508.10983	0.7
508.17981	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	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.5
59.67073	1.1
61.98804	1.9
65.03932	2.0
69.03463	1.3
70.20320	1.0
71.01367	1.2
73.10602	1.1
80.02662	1.5
81.03446	4.5
83.05016	8.1
84.02158	1.6
85.02974	1.3
93.03450	4.9
95.04991	2.2
97.02934	4.6
97.06556	1.9
107.05003	1.6
109.02955	1.2
109.06578	17.6
110.03716	2.0
111.04543	6.4
116.85501	1.2
121.06570	2.2
123.04564	1.3
123.08172	1.5
124.47326	1.1
125.09682	4.6
127.11321	1.4
135.08150	3.5
142.02678	2.0
161.09760	2.6
162.36874	1.4
163.11269	15.8
165.09151	1.2
165.12825	3.2
171.10255	16.4
175.07365	1.1
175.11206	1.4
179.95462	1.1
181.12292	4.4
185.11807	9.9
189.09227	1.4
191.10771	1.8
197.11749	1.5
201.11288	2.0
207.10237	41.9
207.12163	2.8
208.10619	1.5
209.11803	100.0
210.12036	1.4
213.09319	1.3
217.12167	1.4
223.13307	3.2
225.11302	19.6
227.12880	15.1
231.10185	2.7
235.13368	2.1
239.49582	1.2
245.11775	3.5
247.13374	4.1
249.11185	2.7
251.12685	1.8
263.12753	4.2
281.13882	5.0
299.14938	7.2
305.13971	2.5
310.02811	1.4
319.15414	2.6
323.15106	1.3
337.16287	2.2
355.22745	1.9
373.23923	2.9
389.23148	1.6
399.21677	5.2
417.22617	1.4
447.23581	3.0
465.24969	4.8
473.25284	17.4
491.26468	17.6
509.27478	42.0
509.34302	2.1
510.27808	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	509.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85366	3.6
59.01376	4.7
61.98813	14.0
87.70319	3.7
99.86277	3.9
112.54208	3.5
164.96078	3.5
188.75597	3.9
298.36353	4.1
473.32135	4.5
509.27301	6.9
509.34052	100.0
510.33759	6.9
519.40137	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	509.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40443	17.6
53.20685	15.1
60.15089	16.2
61.24884	18.9
61.98817	29.5
68.34444	16.9
70.60275	49.9
87.90768	17.9
98.20584	25.2
126.43892	16.1
142.47549	17.8
473.36240	100.0
526.70825	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	509.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27454	44.0
61.98800	46.6
69.75703	50.5
73.67947	44.9
74.58067	43.2
111.78951	46.5
131.59869	46.6
331.10556	50.8
338.39426	49.3
359.19885	48.0
423.05536	60.2
473.36191	90.0
509.33569	100.0
515.86023	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	509.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.6
69.42564	3.5
69.42986	5.6
84.50929	1.1
91.84328	1.4
98.19849	1.3
152.99612	1.3
221.03191	1.2
251.18581	1.2
281.24817	5.8
473.31976	2.0
509.34058	100.0
510.34442	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92812	0.2
59.01376	1.1
61.98828	100.0
71.01382	1.0
71.58554	0.3
71.58974	0.3
73.02966	0.3
80.53208	0.2
83.01358	0.3
85.02973	0.5
89.02457	1.0
95.01411	0.4
96.96018	1.5
101.02451	0.4
113.02469	0.6
122.22433	0.3
123.04517	0.3
124.16790	0.2
125.02437	1.6
131.03351	0.3
149.04510	0.3
151.04091	0.4
153.01843	0.5
169.01453	1.0
173.87787	0.3
179.03635	0.3
231.03079	0.3
231.95735	0.3
271.04715	0.3
275.02100	0.4
286.12866	0.3
299.78583	0.2
313.10638	0.4
331.08447	0.5
451.90085	0.3
510.18890	0.3
511.19299	0.4
531.30835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98827	100.0
65.96101	0.2
67.47201	0.2
69.51375	1.3
70.74237	0.2
71.01383	0.8
73.02931	0.3
73.11750	0.2
81.24467	0.2
83.01418	0.2
84.13315	0.2
85.02975	0.3
87.00905	0.2
87.17477	0.2
89.02441	0.3
93.03427	0.2
96.96014	0.9
96.96954	0.2
101.02442	0.4
113.02488	0.3
153.33701	0.2
155.10855	0.3
164.65210	0.2
176.97614	0.2
186.44235	0.2
223.33257	0.2
229.05176	0.2
283.10950	0.2
294.42075	0.2
316.18463	0.3
388.24551	0.3
422.23001	0.2
449.23257	0.3
450.23270	0.6
510.25351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
59.01371	2.1
61.98827	100.0
70.89482	0.4
71.01377	1.2
72.99315	0.2
73.02962	0.3
79.95717	0.4
80.96498	0.2
83.89729	0.2
85.02964	0.5
87.00873	0.3
88.62257	0.2
88.98817	0.7
89.02464	0.5
93.03468	0.2
95.01431	0.3
96.96016	0.8
98.72210	0.2
101.01862	0.2
101.02457	0.8
102.02824	0.2
113.02463	0.5
117.03478	0.5
119.03519	0.4
120.99755	0.2
123.00897	0.2
125.02457	0.5
131.03479	0.3
137.02452	0.6
141.01982	0.2
142.02821	0.2
145.02902	1.1
146.03282	0.2
151.00418	0.6
152.01228	0.2
159.58191	0.2
161.04593	0.3
167.03557	0.2
169.01474	0.3
179.10921	0.3
267.08203	0.2
283.10880	0.2
301.03381	0.9
302.03925	0.2
315.18039	0.2
316.18417	0.2
342.12323	0.2
380.20184	0.2
394.19711	0.2
405.13559	0.2
434.17075	1.6
450.23074	0.2
470.16208	0.2
470.66852	0.3
478.16006	1.5
488.67596	0.2
510.18878	0.5
510.24863	0.9
510.31625	0.2
511.18774	0.3
511.29056	0.2
512.27893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1452
Annotation	Picroside II
Peak:m/z	Relative Intensity
55.01875	0.7
59.01113	0.9
59.01376	12.8
61.98794	0.8
67.01878	0.7
68.99796	1.0
69.03432	0.7
69.71931	1.5
69.72322	1.2
71.00998	0.7
71.01376	8.6
72.99288	1.5
73.02915	2.0
74.99068	1.5
75.00845	0.7
79.01865	1.1
79.95715	1.5
80.14941	0.6
83.01368	1.8
85.02939	3.6
87.00834	2.5
89.02430	5.0
90.41715	0.5
95.01363	2.5
96.96002	11.7
97.02924	1.6
99.00854	1.3
101.02441	5.9
107.01379	5.1
108.04514	2.5
109.02916	1.7
111.00849	2.5
113.02416	4.0
119.03507	1.3
120.51062	0.7
120.99585	1.0
121.02924	1.3
122.03710	0.8
123.00874	14.0
123.04507	5.6
124.01630	1.4
125.02441	21.8
127.00346	1.0
131.03448	1.2
135.04474	1.0
136.98860	1.9
137.02377	1.4
139.00380	4.6
139.03958	1.1
140.01155	3.2
141.01888	1.9
143.03502	0.6
149.04515	0.7
150.05550	1.9
150.99300	0.7
151.00357	6.7
153.01825	0.8
157.08708	0.6
161.02408	1.1
161.04536	1.1
161.06018	1.5
163.03918	1.7
163.06049	2.0
164.04733	1.3
165.01851	0.9
165.05499	2.5
166.99803	1.1
167.03409	0.7
168.00647	5.6
169.01419	27.8
170.01721	0.6
179.03476	1.2
179.05678	0.6
179.07132	2.9
181.04932	0.8
182.05768	1.2
183.02988	2.9
195.02991	0.6
196.98042	0.6
197.08194	1.3
211.02454	9.8
225.03999	2.0
249.06140	0.8
271.04584	11.3
275.01981	0.7
285.06049	1.4
297.06061	0.9
300.99722	1.4
305.16037	2.7
313.05475	1.9
331.06458	1.0
336.28036	0.6
345.11707	1.7
359.13293	1.3
451.21643	5.3
463.12207	0.9
479.12076	3.9
493.13245	1.8
511.14304	100.0
512.14655	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	511.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86549	0.6
59.01361	2.9
61.98826	0.8
67.35598	0.7
71.01373	2.3
74.17170	0.7
96.96014	0.9
101.02453	1.4
106.92089	0.7
120.99647	100.0
157.23099	0.7
165.89679	0.6
175.05191	1.5
229.63881	0.8
287.10391	5.6
511.16501	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	511.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06574	0.4
50.72309	0.5
59.01382	2.9
61.98827	4.2
71.01365	1.5
73.02957	0.6
83.01388	0.5
85.02959	0.7
87.00875	0.7
96.96011	2.5
97.02933	0.5
98.45632	0.4
101.02425	1.4
113.02462	0.9
120.99648	100.0
123.00895	0.6
125.02460	1.6
131.84128	0.5
135.04457	0.6
137.02431	0.7
139.04008	1.9
145.03017	0.9
149.01575	0.5
149.04544	0.7
151.00346	2.7
161.04515	0.6
163.04036	0.5
169.01422	2.2
173.11740	0.5
190.09096	0.5
211.04294	1.1
250.70279	0.7
266.11499	1.2
287.05713	1.2
320.53671	0.5
354.65161	0.7
387.12219	1.1
394.79465	0.5
397.20963	0.5
429.00809	0.6
448.09940	0.5
449.10550	0.8
475.25473	3.3
511.18277	3.6
511.25720	2.7
512.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01384	2.5
61.98827	1.0
69.26924	4.3
71.01403	2.2
71.02469	0.4
72.00890	1.6
73.02953	1.1
74.02447	2.5
74.99078	0.5
79.80642	0.4
79.95671	0.4
83.01371	0.8
85.02953	0.8
87.00835	0.9
89.02429	0.9
93.03416	0.6
95.12933	0.4
96.96023	2.2
101.02417	1.2
107.05018	2.0
117.03449	0.7
119.04977	1.1
120.99633	1.9
121.02927	1.3
123.00911	0.7
123.04577	0.5
125.02433	2.2
129.10336	6.8
132.05775	1.2
133.06577	5.9
134.06085	1.2
136.99174	0.5
139.08754	0.9
140.07130	1.3
144.04482	0.5
145.02937	2.9
146.03262	0.6
148.07646	2.1
150.09190	1.1
151.08778	0.8
155.08275	3.2
160.07713	2.3
161.02408	0.6
162.05562	0.5
164.04794	0.5
167.08278	0.8
169.01398	1.3
169.09702	0.5
176.07130	0.6
179.08247	2.8
186.12413	0.5
187.10870	1.1
188.07124	1.6
188.23839	0.5
192.09018	3.4
194.08188	1.6
204.06615	0.7
205.09779	5.3
206.08257	0.6
206.10129	0.5
221.09369	2.6
222.12437	0.6
224.08044	3.2
224.17532	0.6
225.16000	0.7
232.06125	0.8
242.18695	7.4
243.11818	0.5
249.08711	4.3
255.03021	0.6
263.17657	1.7
266.11429	35.6
267.07632	0.6
267.11725	0.8
284.03052	0.7
285.03906	2.5
286.04358	1.1
296.11710	1.0
334.17813	0.5
349.12115	0.7
370.24698	0.6
376.26035	1.0
388.25977	0.7
414.23993	1.4
418.17471	0.7
431.26553	6.2
436.19119	0.6
451.21768	0.8
458.23749	0.6
475.25571	100.0
476.25848	8.7
479.16513	0.5
501.63113	0.8
511.18091	2.4
511.25412	2.8
512.20245	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	511.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52112	0.6
52.12909	0.6
55.01867	1.4
57.03434	2.2
58.00575	0.9
59.01374	33.0
61.98825	11.5
64.18649	0.7
69.03432	0.9
71.01379	45.7
71.59247	0.9
71.59667	1.3
72.99310	1.7
73.02943	17.6
75.00864	1.9
79.95713	1.1
81.08703	0.7
83.01373	6.5
84.02192	0.9
85.02942	21.0
86.00089	1.7
87.00871	16.5
89.02441	9.8
92.49724	0.7
95.01368	3.4
96.96020	3.8
97.02939	2.1
99.00868	7.7
101.02434	29.4
106.28680	0.8
111.00841	1.4
113.02448	21.3
125.02424	4.2
129.01907	1.8
131.03532	5.7
137.02461	1.1
143.03496	4.0
148.04047	1.2
149.04491	2.9
151.43196	0.7
155.10628	0.9
157.12314	3.3
159.01857	0.7
159.02983	4.5
161.04546	22.8
175.04099	0.8
191.05435	0.8
205.03455	1.0
211.13469	0.9
229.14377	12.7
233.06728	0.9
268.46863	0.9
269.12973	1.7
293.08798	2.7
295.10913	2.1
313.12088	0.9
319.17575	100.0
320.17767	4.1
323.73938	0.7
447.13351	1.0
451.21817	26.8
451.28030	1.7
452.22229	1.6
475.17484	5.8
475.23654	1.0
511.18604	1.3
512.20813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59274	1.1
53.74830	1.4
55.01870	1.6
57.03452	1.5
58.00603	0.9
59.01376	59.9
61.98836	1.5
68.94473	1.0
71.01377	26.1
71.58694	1.1
72.99309	1.3
73.02946	9.8
74.22713	1.0
78.95895	1.3
83.01382	6.5
85.02950	17.2
87.00880	2.2
89.02448	3.3
95.01371	1.6
96.96052	1.7
97.03016	1.6
99.00867	6.4
101.02434	34.7
111.00880	2.0
113.02460	12.6
129.01871	1.2
131.03497	39.5
143.03482	1.4
159.03090	1.3
161.04533	8.8
209.11806	1.9
227.12880	1.3
319.21225	100.0
320.00458	1.1
320.21545	4.5
363.19873	1.6
369.51996	1.2
451.25507	26.9
452.26111	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	511.3424
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
59.01376	16.9
71.29733	0.2
71.30054	0.2
91.10264	0.2
96.85570	0.2
187.99818	0.2
375.26736	0.6
389.28604	0.9
391.30228	0.4
405.31589	16.0
406.31888	1.3
435.28839	1.4
449.30511	1.3
451.32059	3.1
452.32733	0.3
465.33667	64.8
466.34006	5.5
467.35495	1.3
511.34216	100.0
512.34589	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	511.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23606	0.3
54.44938	0.2
59.01378	39.5
62.19080	0.3
69.36810	1.0
69.37231	1.4
74.99078	0.3
81.03454	3.0
83.05021	9.2
87.00882	0.5
88.98800	2.0
107.06152	0.3
108.04559	0.5
125.07217	1.2
143.08261	0.9
197.26967	0.3
207.15045	0.9
224.17636	1.8
225.16060	8.8
242.18590	0.7
254.63823	0.3
309.21890	0.5
324.26486	0.4
333.22952	1.7
351.23904	0.6
367.27087	1.4
433.31781	4.9
434.32104	0.5
451.32864	100.0
452.33163	7.8
511.34894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.1
61.98804	4.7
71.27570	6.1
84.82755	3.4
89.58066	3.5
144.15273	3.3
147.19827	4.1
153.82138	3.6
154.86647	3.4
394.57373	4.0
473.36423	8.4
475.37885	100.0
476.38312	8.7
493.38828	9.6
511.35538	77.1
512.36548	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	512.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
59.17551	0.3
61.98827	100.0
65.00324	0.6
65.33559	0.3
71.01393	1.5
72.99317	0.5
73.02934	0.6
73.80798	0.3
74.99086	0.5
79.95734	1.4
83.01379	0.7
83.04992	0.3
85.02958	0.6
85.46333	0.3
87.00851	0.4
89.02470	0.4
96.96010	3.6
99.00875	0.3
101.02478	1.4
107.01382	1.7
109.02975	0.3
113.02480	0.8
125.02448	0.6
135.04510	6.2
136.99101	0.4
140.77054	0.3
151.00354	10.3
156.00696	0.8
161.04556	0.4
169.01443	0.3
175.00403	0.5
196.47885	0.9
203.99026	0.6
241.00366	0.4
243.96729	1.7
246.04898	0.3
253.05058	0.7
271.06229	0.8
287.05588	25.2
288.05859	1.4
312.99857	0.6
321.19250	0.9
436.18939	0.8
439.96210	0.3
449.10843	2.9
451.32983	2.0
452.22232	0.5
452.33389	1.2
453.23334	3.6
453.28806	0.4
480.18021	1.0
511.26022	0.4
512.20331	0.4
512.26685	0.6
513.20520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
61.98822	2.1
68.87463	0.5
69.32791	3.9
71.01405	0.5
73.02933	0.6
77.39101	0.5
82.83993	0.4
95.05026	0.5
96.95985	1.1
110.06098	2.7
113.02454	0.8
120.99664	3.2
121.05332	0.9
122.06113	3.5
144.04543	2.7
147.03314	0.5
150.09290	0.5
160.04016	1.0
161.04761	1.6
169.01430	0.7
172.03978	2.0
173.04759	1.3
174.05615	1.1
178.74806	0.6
203.05899	1.3
204.06641	4.7
205.03641	0.7
211.08681	0.6
212.05804	4.2
213.10234	0.6
224.09340	0.7
225.06653	1.6
227.11932	1.1
228.12598	0.9
237.10284	3.9
238.08746	1.0
239.08238	4.5
240.08994	1.0
241.09779	1.0
251.11780	2.7
252.12646	3.4
253.06099	4.7
253.09752	3.7
254.10457	1.5
255.11368	1.7
266.06766	1.2
266.10782	0.5
267.07718	7.4
267.11310	3.4
268.08472	3.5
268.11914	3.0
268.14578	0.5
269.12885	1.4
279.07730	1.2
279.11203	0.7
280.08475	2.6
281.09271	11.8
282.09799	1.1
282.17340	0.5
284.07828	0.5
285.08759	1.4
286.09351	0.6
294.10025	0.6
295.10782	7.0
296.11618	14.6
297.12146	1.6
299.10318	3.1
300.11029	1.6
311.10312	1.8
312.11340	0.8
313.11914	2.8
325.12015	0.5
327.13553	0.6
328.10614	4.8
328.14294	1.2
329.11270	1.3
340.10522	1.6
360.13342	1.2
372.13123	1.1
374.18710	1.5
406.17722	2.7
416.16147	0.6
418.17636	6.5
436.18732	4.7
462.16577	1.7
476.25842	0.7
480.17734	9.4
482.19492	1.0
494.19427	2.9
512.20306	100.0
513.20740	8.8
513.27911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20063	0.2
56.04174	0.2
57.03420	0.2
59.01379	1.3
59.70294	0.2
62.98860	0.2
69.23895	1.8
71.01378	1.1
73.02920	0.2
78.41264	0.2
79.95737	2.5
83.01381	0.3
85.02939	0.4
89.02448	0.5
96.96008	100.0
98.95571	0.2
101.02451	0.8
108.04547	0.3
113.02437	0.5
119.03485	0.3
122.06102	0.4
125.02466	0.4
125.63597	0.2
150.05634	0.3
151.03961	0.2
169.01535	0.2
184.11443	0.2
202.12399	0.2
229.09807	0.3
231.11327	1.0
246.11250	0.3
249.04361	0.2
271.10806	1.1
300.99908	0.5
302.00262	0.2
320.95609	0.2
415.12430	1.3
451.17319	1.0
469.18094	0.4
495.15625	0.2
513.17249	3.6
514.17889	0.2
521.58777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27213	1.1
57.03412	2.9
59.01374	9.7
61.98805	3.2
66.64314	1.2
69.03415	2.1
71.01381	9.0
72.99274	2.1
73.02942	6.4
83.01350	1.7
85.02895	3.7
87.00826	2.3
87.04520	6.5
89.02397	2.8
90.73296	1.2
91.85246	1.3
95.01352	2.4
96.61315	1.1
96.96006	12.0
97.02882	2.4
99.04552	1.1
101.02448	10.3
107.01392	12.8
110.06020	1.3
111.00819	1.6
113.02366	3.4
123.00875	10.2
123.04393	3.3
125.02447	59.9
133.61121	1.2
135.08067	3.5
136.98750	1.7
137.02350	2.5
137.09712	15.7
139.00269	3.9
139.11290	1.4
141.01865	1.3
151.00252	3.9
153.05521	2.9
155.10779	95.9
156.11028	2.4
161.04399	2.7
161.05701	1.2
168.00548	2.4
169.01418	100.0
169.12257	2.9
170.01636	1.9
181.08698	6.4
183.02913	1.4
191.03343	2.5
193.01324	2.1
199.09746	79.1
200.09950	1.6
211.02286	3.2
213.11346	5.8
220.97617	1.5
241.10797	23.4
267.06961	2.1
271.11923	8.6
297.12039	1.3
301.12897	20.5
313.05481	2.5
361.15012	49.2
362.14969	3.3
397.65332	1.2
424.71460	1.4
437.18643	1.5
453.13541	2.7
481.17410	1.7
513.15570	83.3
513.28522	2.1
514.16016	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32589	1.1
57.03447	20.0
58.87873	0.8
59.01116	1.2
59.01379	18.4
61.98540	1.2
61.98827	19.9
69.03427	2.8
69.27478	3.6
69.27905	5.6
71.01382	10.8
71.04966	1.0
72.99296	1.1
73.02598	1.1
73.02942	11.1
75.00864	1.9
79.95712	1.5
80.96521	1.0
81.03428	1.3
83.01390	2.4
83.04984	1.0
85.02968	5.4
87.00854	1.3
87.04480	3.2
88.98736	0.9
89.02404	4.3
93.03414	1.1
95.01344	2.8
96.96009	19.7
96.96967	1.0
97.02895	3.9
97.06553	1.7
99.00832	1.7
99.04510	14.9
101.02444	11.1
101.06030	2.0
107.01333	1.5
109.02934	2.0
109.06542	2.4
111.00842	1.0
111.04467	1.2
111.08113	0.9
113.02444	4.7
120.05788	1.1
120.99586	1.1
121.02927	1.3
123.00881	7.4
123.04494	3.0
123.08092	2.4
124.01645	17.9
125.02446	43.3
125.06034	1.2
126.02656	1.2
131.03465	1.1
135.04427	1.4
135.08159	8.9
137.02380	3.4
137.09679	2.9
139.00284	2.1
139.07625	1.1
149.05962	1.3
149.99585	23.1
150.06831	10.5
151.00243	4.5
151.03870	1.1
151.07571	4.3
151.08670	1.2
153.01820	1.3
153.05493	1.3
153.09138	3.1
155.10782	10.7
157.08635	1.5
161.02434	1.7
161.04485	3.4
163.07539	1.5
164.08325	2.3
165.01897	1.0
167.03400	4.2
168.00641	53.5
169.01410	9.8
171.10182	4.0
177.00534	1.7
177.01921	23.4
179.07092	1.0
179.10757	7.9
180.11099	0.9
187.09677	2.8
191.03481	1.0
192.04272	18.8
193.01315	1.7
193.04408	1.2
199.09659	3.1
201.11307	6.8
205.04984	1.1
207.04752	1.6
207.06616	32.3
209.08063	2.9
217.10776	12.3
235.05933	1.5
241.10791	1.5
250.08385	1.5
251.85303	1.1
289.10486	1.5
307.11813	1.5
321.18906	4.5
350.20734	1.3
351.12790	2.2
351.21646	7.5
367.19452	1.0
369.87985	1.1
397.19247	1.7
411.87238	1.2
450.11258	1.3
453.23355	6.3
455.15366	2.0
495.29324	4.4
498.68201	1.0
513.15790	100.0
513.29956	22.1
514.15845	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	513.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.00604	0.9
59.01377	42.6
60.04759	1.0
61.98837	1.2
64.72586	0.8
69.51093	6.5
71.01376	23.3
72.99303	1.9
73.02925	2.3
79.60588	0.8
79.95728	1.9
80.05061	2.0
83.01357	1.2
85.02944	6.5
85.50295	0.8
87.00858	5.9
89.02449	20.0
92.04971	1.0
94.06647	1.1
95.01369	2.5
96.96005	92.2
99.00888	0.9
101.02439	17.4
108.04527	2.3
113.02452	10.1
119.03503	9.6
120.04531	1.3
121.05373	5.7
122.06124	14.1
123.03251	1.2
124.04033	1.5
125.02453	1.0
136.07571	1.5
138.05594	5.4
138.06480	0.8
140.07198	1.7
143.03438	1.5
146.58569	0.9
148.04001	2.5
149.04793	3.2
150.05531	4.4
158.06062	1.4
159.06906	2.5
160.48653	0.9
161.04591	1.5
162.05595	1.0
165.04263	3.2
166.05107	4.7
172.07642	1.2
173.08449	2.2
174.12842	1.6
175.06412	1.3
179.05629	1.3
184.11288	4.7
188.07149	3.2
189.07864	2.6
200.10655	1.0
202.08804	1.3
202.12331	8.9
204.06674	5.8
204.10271	2.7
213.06599	1.2
216.06610	5.5
216.08737	1.8
217.07387	6.1
227.08296	1.1
227.11926	1.0
228.10283	4.0
229.09784	8.7
231.09021	2.9
231.11343	27.3
242.10634	1.2
243.11293	1.2
246.11282	13.3
247.25716	1.0
253.09816	2.8
255.11487	1.1
263.74170	1.0
270.10083	2.7
271.10855	31.9
273.12396	1.1
290.28040	0.9
318.88406	0.9
328.10370	1.3
346.11209	5.0
381.00436	1.0
390.10339	2.2
397.13605	4.7
408.16742	2.1
426.17673	2.6
433.16122	3.3
451.11148	2.0
451.17230	32.9
452.17194	2.0
469.18176	6.8
470.17105	1.5
495.16177	6.4
513.17194	100.0
514.17596	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	513.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57149	0.7
57.03441	1.2
58.00599	1.5
59.01379	36.7
61.98809	1.3
69.59911	5.1
71.01381	20.1
72.99298	1.5
73.02939	1.7
80.05058	1.3
81.03388	0.8
83.01389	2.2
85.02940	5.2
87.00859	4.4
89.01933	1.2
89.02451	18.0
92.05053	0.9
94.06604	1.2
95.01362	2.6
96.59136	0.7
96.96001	9.5
101.02441	15.9
108.04543	1.7
113.02454	7.7
119.03499	7.4
121.05318	4.9
122.06111	10.6
136.04001	1.0
136.07640	2.0
138.05602	5.2
146.11662	0.8
148.04037	3.5
149.04770	2.3
150.05608	4.1
158.06081	1.1
158.09767	1.0
159.06868	1.8
160.11382	0.9
161.04593	1.0
162.05663	0.8
165.04272	3.7
166.05037	4.1
169.01363	1.3
173.08495	1.6
174.12848	2.2
179.05649	1.2
184.11273	4.0
186.09196	0.8
187.09779	0.8
188.07115	2.3
189.07979	1.8
202.08873	1.5
202.12369	9.3
204.06587	5.5
204.10179	0.9
213.06644	2.2
214.07330	1.0
216.06613	5.4
216.08809	1.6
217.07448	4.5
218.08148	1.3
227.08177	1.2
227.11900	0.9
228.10497	4.5
229.09801	5.9
231.09138	1.4
231.11327	20.0
238.07475	1.4
243.11375	2.4
246.11334	10.3
247.11165	0.9
253.09785	3.8
256.08441	1.3
270.10043	3.1
271.10855	29.1
272.11453	1.1
275.02155	0.9
300.99844	1.4
328.10406	0.9
346.11240	3.8
390.10501	1.9
397.13571	4.2
408.07196	0.8
408.16687	1.4
426.17612	2.0
433.16318	1.9
451.11252	1.2
451.17221	25.5
452.17282	1.7
469.18246	5.9
470.16708	1.8
495.16132	7.7
513.17236	100.0
514.17480	7.9
527.72284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46318	1.1
55.01866	4.3
55.46223	1.2
58.61366	1.2
59.01379	32.2
61.98835	5.7
67.31300	1.1
71.01381	46.5
71.59798	1.5
72.99300	2.6
73.02949	24.0
75.00854	1.9
79.95708	1.5
80.91699	1.1
83.01382	8.0
85.02942	21.1
87.00855	4.0
87.04507	1.6
89.02438	10.8
91.26813	1.2
95.01379	3.4
96.95992	10.5
97.02322	1.3
97.02940	1.9
99.00877	7.2
101.02435	40.3
109.02936	1.8
109.06583	1.8
113.02438	21.4
119.03494	3.6
122.03733	1.4
123.00906	2.6
123.04492	1.9
125.02445	7.0
129.01932	1.4
131.03517	1.8
135.08174	4.0
137.02443	1.5
139.00453	1.3
139.03995	1.4
143.03484	3.1
145.02911	2.6
151.04033	1.8
153.09128	1.3
155.10680	1.2
159.02942	3.1
161.02475	1.4
161.04543	17.9
161.51825	1.0
169.01326	2.2
179.05559	1.5
179.10655	1.2
187.09773	3.3
189.01904	1.9
217.01410	1.4
217.10773	4.4
222.06662	1.2
267.07169	1.1
289.07089	1.8
291.18143	20.6
321.19113	20.9
322.19846	1.3
341.06555	3.1
351.14841	1.9
361.14713	1.4
423.13480	2.0
451.10144	3.9
453.13522	3.5
453.23367	100.0
454.23727	7.8
477.13638	2.0
477.23276	7.3
478.15125	1.4
495.29605	2.0
513.20367	18.3
513.31244	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	513.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03433	1.7
59.01379	36.8
61.98828	22.5
69.41701	1.9
69.42122	2.7
71.01379	22.9
71.76208	0.6
72.99305	1.3
73.02944	10.7
79.95730	2.0
83.01382	5.9
85.02944	13.8
87.00883	1.6
89.02447	3.1
95.01376	1.2
96.96008	9.5
97.00125	0.6
97.02944	1.0
98.20679	1.3
99.00884	5.3
101.02438	25.3
107.01414	0.7
109.02928	0.6
111.00864	1.9
113.02444	12.2
119.05020	1.3
122.59431	0.6
125.02419	1.0
129.01987	0.7
131.03493	6.3
143.03529	0.6
151.00360	2.6
152.01067	0.7
159.02995	2.8
161.04555	8.8
177.02095	0.6
178.99876	0.7
183.49329	0.5
197.18338	0.6
222.99182	0.7
271.06149	4.4
300.02582	0.9
321.19144	100.0
322.19586	4.8
353.26563	0.6
433.11319	2.0
452.33258	1.4
453.23383	33.0
453.32574	3.3
454.23633	1.6
513.06934	2.6
513.14594	6.4
513.27148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13087	0.7
55.01871	2.5
57.03434	2.5
58.00597	1.2
59.01378	40.0
61.98829	7.6
62.06875	0.6
62.52921	0.7
63.92817	0.6
67.50161	0.7
69.03455	0.9
69.27151	0.6
69.85932	3.3
71.01378	38.6
72.99297	1.4
73.02942	14.0
75.00865	1.2
78.73149	0.6
79.95735	1.2
83.01381	6.1
85.02945	18.8
87.00891	2.9
87.04556	0.8
88.98808	1.0
89.02434	13.3
95.01372	3.5
96.96030	4.0
97.02968	1.5
99.00872	5.1
99.04482	0.8
101.02437	32.9
106.27177	0.6
111.00843	1.2
113.01711	1.2
113.02444	16.5
119.03506	1.2
120.99631	0.8
125.02463	4.6
125.09817	0.7
129.01938	1.1
131.03516	3.7
135.08142	2.7
137.02426	1.3
143.03484	3.4
149.04510	2.7
151.07570	1.2
153.09198	0.9
159.02988	2.4
161.04547	15.1
169.01430	0.9
179.05542	1.0
179.10719	1.6
201.11285	4.0
219.10281	2.9
233.06590	0.9
293.08719	1.2
321.19153	100.0
322.19437	4.9
453.23383	29.7
454.23703	2.0
495.29581	1.3
513.19452	5.1
513.31140	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03450	0.2
58.00608	0.2
59.01376	5.0
61.98845	0.1
69.03464	0.2
69.20666	0.2
69.21090	0.5
69.96693	0.1
71.01378	4.0
72.99321	0.3
73.02942	0.9
75.00906	0.1
83.01381	0.5
83.05032	0.2
85.02955	1.0
87.00888	0.6
88.25704	0.1
89.02439	3.1
91.04026	0.1
94.73303	0.1
95.01418	0.3
97.02940	0.2
99.00889	0.3
99.04511	0.1
101.02439	4.1
103.04044	0.2
113.02441	1.8
115.04031	0.1
119.03483	1.0
125.02460	0.2
127.07645	0.2
131.03482	0.2
133.05057	0.3
143.03499	0.4
145.05083	0.1
149.04564	0.1
157.05054	0.1
161.04556	1.5
161.05884	0.1
179.05608	0.5
198.95712	0.1
233.22749	0.3
235.08177	1.1
253.09270	15.4
254.09676	0.3
259.20639	0.4
275.20081	0.4
277.21695	100.0
278.22052	4.6
361.55511	0.1
474.99448	0.1
513.33051	0.1
527.83319	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3581
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01377	45.7
60.99307	0.5
61.31230	0.3
64.85269	0.3
69.34988	1.0
69.35402	1.4
80.24352	0.3
90.60518	0.3
97.06625	0.4
98.20744	0.5
104.70509	0.3
123.08635	0.3
138.57233	0.3
155.40459	0.4
163.66045	0.3
179.66663	0.3
205.46751	0.3
316.29620	0.3
326.94577	0.3
405.31628	0.5
407.33041	0.8
433.30899	1.0
435.32608	0.5
441.33670	3.1
449.28104	0.6
449.34262	12.8
450.34399	1.2
451.32156	0.6
465.24225	0.3
465.30164	1.2
475.34308	0.4
479.31491	0.4
481.33020	1.4
483.34714	5.1
484.35229	0.3
495.34769	85.1
496.35068	8.7
513.35791	100.0
514.36115	8.5
527.34143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3582
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
56.06540	0.7
59.01374	8.4
60.99288	2.7
70.50517	0.8
71.58819	0.7
71.59308	1.3
78.91947	0.7
81.82408	0.7
99.00812	0.8
110.10333	0.9
132.06036	0.7
143.98074	0.7
265.08588	0.8
277.21667	1.2
467.35104	1.2
513.35791	100.0
514.36090	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98828	100.0
69.30189	0.9
71.01402	0.3
73.02970	0.1
96.96030	0.2
98.20595	0.1
101.02424	0.1
114.21321	0.1
133.82971	0.1
217.01468	0.1
321.19266	0.2
322.19565	0.6
341.06589	0.1
391.85223	0.1
454.23807	0.3
454.33838	0.4
514.32452	0.6
515.06525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1224
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
55.14296	0.5
57.03445	0.6
59.01369	1.8
61.98820	1.5
69.50249	2.8
71.01385	1.3
79.95734	25.2
80.96519	1.0
87.00920	0.5
89.02444	0.5
93.03442	0.8
95.95231	8.9
96.96006	100.0
99.00864	0.5
101.02435	0.9
108.02168	0.9
109.02989	0.7
110.97563	5.0
112.36555	0.5
113.02449	0.6
121.02932	1.9
122.03724	2.2
123.00903	0.5
123.04553	0.8
125.02427	1.3
127.85088	0.5
134.03748	5.2
135.04524	1.3
136.01656	6.3
136.99098	0.5
137.02396	1.3
139.00377	0.4
141.95822	0.6
147.04549	0.5
147.76099	0.4
149.02480	3.1
149.06042	2.5
150.03224	13.1
151.00404	0.6
151.04015	7.0
164.04810	0.9
164.08656	0.5
165.05554	13.1
167.00157	1.8
167.03494	0.9
169.01353	0.5
177.01888	1.4
178.02658	0.5
179.03423	0.6
180.04227	0.9
181.05081	0.6
189.01964	0.5
193.05075	0.5
195.02888	0.5
195.06610	6.8
203.10872	0.5
213.05563	1.8
240.46103	0.5
241.05045	10.7
243.96815	0.8
244.47021	0.5
256.07404	7.2
267.06769	0.5
271.04999	0.7
271.09741	17.5
272.10077	0.7
275.85388	0.5
283.06116	0.4
284.06903	0.7
285.07834	2.4
287.02399	0.7
289.03918	1.7
289.07242	1.1
299.09216	3.2
319.11789	2.3
331.06540	0.5
341.06549	0.5
405.11874	1.1
467.17108	9.1
485.07446	4.8
500.09866	3.4
515.12213	88.1
516.12433	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	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
57.89056	1.4
58.00598	2.5
59.01376	48.8
68.41512	1.2
69.78406	4.4
69.78815	3.4
71.00998	2.7
71.01380	43.2
71.01776	2.8
72.99296	3.1
73.02941	2.5
75.00869	1.5
83.01376	2.7
85.02947	5.6
87.00866	3.6
89.02440	43.2
91.66827	1.3
93.03445	2.8
95.01375	2.5
98.20028	3.2
99.00881	5.8
101.02442	19.6
107.03501	1.7
111.00931	2.2
112.98805	15.4
113.02448	16.9
119.03498	18.6
129.01956	2.0
131.03503	2.6
142.99844	13.9
143.03511	3.6
149.04530	2.5
161.04539	4.5
172.07301	4.6
173.00911	7.9
173.04530	5.3
179.05595	23.6
247.02432	3.2
273.00705	1.5
274.58133	1.3
283.87305	1.9
323.09787	3.2
323.13446	3.1
326.77649	1.5
341.10852	100.0
342.11084	3.4
515.16089	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	515.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53332	1.2
57.03459	1.8
58.00604	2.0
58.46065	1.2
59.01378	51.1
61.06621	1.2
69.99060	4.8
69.99490	2.0
71.01001	2.5
71.01382	39.1
72.99302	3.7
73.02940	4.1
75.00857	3.2
83.01405	2.3
83.05032	1.5
85.02938	7.6
87.00848	2.7
89.02441	46.4
93.03425	6.3
95.01380	2.5
95.82381	1.1
98.20135	2.8
99.00871	5.5
101.02443	17.2
111.00864	2.0
111.04539	2.7
112.98830	12.5
113.02443	18.1
114.97056	1.5
119.03503	15.2
122.98816	1.2
124.98875	1.4
129.01926	3.6
131.03535	1.6
131.08247	11.4
142.99869	14.0
143.03487	4.3
145.01413	2.3
161.04532	4.9
171.33031	1.1
172.07265	3.2
173.00887	8.5
173.04549	13.3
173.10429	9.9
175.02571	1.4
179.05614	21.9
191.01984	1.5
191.05571	3.0
341.10861	100.0
342.11163	4.9
449.92035	1.2
515.15680	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	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01377	100.0
69.37820	1.2
69.46402	11.2
71.01373	12.9
73.02937	3.8
85.02959	3.5
87.64156	1.3
89.02439	8.2
95.05039	1.6
96.95994	8.7
97.96186	1.5
99.64948	1.3
101.02425	5.5
101.88895	1.4
113.02450	7.5
119.03481	4.0
119.44982	1.4
120.05769	1.6
123.04546	4.2
125.02475	2.3
135.04536	1.5
135.08218	1.6
143.03564	1.5
146.68892	1.3
153.05615	8.7
159.08083	2.1
161.13367	15.2
179.05565	2.5
185.09676	1.4
187.11264	36.4
205.12314	35.6
206.12637	2.1
223.13458	3.3
229.12250	7.6
247.13245	3.0
249.11308	9.7
264.65039	1.4
265.14322	2.4
267.12280	4.7
306.70239	1.3
309.13431	22.1
409.39514	1.4
411.16394	1.6
429.17374	2.1
437.18649	1.5
515.17145	1.8
515.21320	1.6
515.32452	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	515.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01374	4.8
61.98827	2.8
64.89137	0.2
65.03952	0.7
69.03453	0.3
69.21887	1.3
69.22313	0.8
71.01376	4.7
71.43965	0.2
72.99321	0.2
73.02932	1.3
79.95737	1.8
80.96514	1.6
81.03423	0.4
83.01393	0.7
83.05022	0.4
85.02944	2.1
87.00865	2.3
87.04542	0.4
89.02445	2.8
93.03455	51.1
94.03786	0.9
95.01386	0.8
95.05032	0.2
96.96004	11.7
97.02943	0.4
99.00882	0.8
100.78690	0.2
101.02435	2.6
107.01402	0.3
108.02170	2.5
109.02947	4.8
111.00868	0.3
111.04496	0.4
113.02441	1.6
117.03447	2.3
119.02683	0.2
119.03520	0.6
119.05035	0.7
121.02985	0.3
123.00884	0.6
125.02451	1.1
127.04022	0.4
129.01968	0.5
129.05597	0.4
131.03491	0.8
131.09773	0.2
135.00880	0.2
135.04475	0.2
135.08124	0.3
137.02441	100.0
138.02786	2.2
138.97061	0.6
141.09210	0.3
145.02948	6.8
147.02946	0.2
149.04527	0.6
150.97075	0.6
151.00342	0.4
151.07677	0.5
152.01160	0.3
153.01933	14.3
154.02313	0.3
161.04599	0.4
161.09729	0.6
163.00511	0.3
163.04028	0.5
166.96542	1.4
175.04066	0.3
175.11325	0.2
177.12767	0.3
179.05716	0.3
179.10753	2.0
191.05606	0.8
193.12311	1.0
203.07280	0.3
203.10754	0.5
213.05524	0.3
219.90515	0.3
221.08266	0.5
221.11844	0.9
222.99185	2.1
223.09584	0.2
227.03534	0.8
229.05190	0.6
241.00227	3.9
251.79483	0.2
255.03047	1.1
257.04520	0.6
284.03354	1.3
285.04022	7.7
286.04437	0.3
309.08252	2.3
309.12030	0.7
361.02319	4.9
362.03101	0.2
395.02985	0.9
451.14792	0.5
471.06052	1.3
471.22778	0.5
497.03760	0.4
497.30832	0.4
515.05084	13.4
515.17883	7.3
515.31891	1.0
516.05463	0.9
516.13867	2.8
516.63599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
61.98827	1.6
64.38460	0.5
66.86028	0.5
70.59061	0.6
70.59421	1.7
71.01375	1.3
71.73315	0.6
75.00861	0.7
79.95738	22.4
80.96517	0.7
83.60830	0.5
85.02937	0.8
87.00883	0.6
89.02450	0.6
90.24297	0.5
93.03458	1.9
95.95220	9.2
95.95793	0.6
96.96008	100.0
97.02972	0.8
100.51334	0.6
101.02431	1.1
105.09016	0.6
108.02153	0.8
109.02943	1.2
110.97570	4.5
113.02464	0.8
121.02972	3.5
121.17027	0.5
122.03738	3.8
123.00868	1.5
123.04583	1.1
123.05415	0.6
124.01622	0.7
125.02444	2.2
126.90404	0.7
133.02951	2.0
134.03743	12.3
135.04538	3.5
136.01654	11.0
137.02487	2.8
139.00328	0.7
139.03972	0.8
141.95763	1.0
147.04510	1.0
149.02443	8.4
149.06067	5.8
150.03218	24.7
151.04004	16.4
152.04729	1.1
153.05540	0.9
161.02466	0.6
164.04793	1.6
164.08438	0.7
165.05557	26.1
166.02692	0.6
166.05847	0.8
167.00185	2.5
167.07159	0.7
169.01428	1.3
175.04057	0.6
177.01891	0.7
179.03453	0.9
180.04294	1.6
181.05037	1.5
185.06065	1.0
189.01944	0.9
190.02623	0.6
191.03471	0.7
192.04155	0.7
193.05042	0.9
195.04781	1.3
195.06601	14.5
195.40247	0.6
205.05145	0.6
211.02292	0.7
213.05571	3.8
223.04034	1.5
224.04733	0.8
236.04713	0.6
239.07144	0.7
240.04169	0.7
241.05034	21.4
242.05495	1.7
252.04256	1.4
253.04964	1.5
255.06709	1.2
256.07382	16.2
257.07742	1.0
269.04526	1.2
271.09735	36.7
272.10043	1.2
284.07010	1.6
285.07727	5.6
289.03943	1.7
289.07193	1.8
299.09238	7.8
319.11850	5.0
341.06549	1.0
361.05859	0.9
402.11017	0.6
405.11673	1.1
435.10229	0.6
452.13501	2.9
459.40686	0.6
467.17065	21.7
468.17389	1.6
473.17651	0.8
485.07480	4.5
500.09836	2.5
515.12213	88.9
515.17993	4.1
516.12573	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	515.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77700	0.3
61.98811	1.8
69.91328	1.5
79.68671	0.4
106.04221	1.0
107.04985	0.5
163.11284	32.9
164.11545	0.9
175.11237	1.4
176.12100	1.8
177.12823	3.4
190.09950	1.2
207.10303	0.5
208.11064	2.8
267.13983	0.5
281.15421	1.4
282.16254	4.6
283.17001	6.0
293.15518	1.8
294.16110	0.4
295.17075	0.6
324.21060	0.4
326.31210	0.4
336.20749	0.4
339.23257	100.0
340.23578	6.2
344.29626	0.4
349.21820	0.5
351.23221	7.0
398.38940	0.4
403.08362	0.4
515.35284	89.5
516.28204	0.3
516.35620	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
59.01372	9.0
61.98828	0.8
70.19038	0.4
71.59243	0.9
83.43788	0.4
88.43038	0.4
89.47939	0.4
94.91142	0.4
124.92715	0.4
152.99574	0.5
238.30621	0.5
305.31372	0.4
366.82828	0.5
389.28391	0.7
391.29840	0.6
409.31024	1.1
423.29007	0.8
439.32162	6.0
449.30801	1.0
451.32156	1.1
455.35239	0.7
467.35495	1.0
469.33136	1.4
471.34451	0.6
485.36407	0.8
499.34247	20.2
500.34583	1.6
515.37408	100.0
516.37848	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	516.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
59.32822	0.4
61.98829	8.1
67.01871	0.6
71.01384	4.4
71.30692	0.6
72.99320	0.7
73.02931	0.6
79.01858	0.6
79.95723	1.7
82.95432	2.2
83.01390	1.0
85.02943	1.4
87.75566	0.4
88.98830	0.5
89.02424	1.2
95.01378	1.7
96.96011	15.8
97.02945	0.5
98.95585	2.6
101.02434	1.5
107.01390	4.2
109.02941	0.7
110.97576	0.6
111.00873	2.1
113.02454	1.1
117.97334	0.6
119.03496	0.4
123.00882	10.3
124.01653	12.3
125.02443	22.4
127.00381	0.8
136.98856	0.9
137.02423	0.8
137.06119	0.4
138.03215	1.2
139.00333	3.2
139.03996	5.5
140.01163	3.0
143.03522	0.4
151.00359	6.3
151.04031	1.0
154.99805	0.5
161.04588	0.8
165.01854	0.5
167.03546	0.6
168.00641	5.2
169.01421	30.7
170.01723	0.6
179.03436	0.5
183.02998	4.8
211.02464	1.1
225.04088	0.6
247.88541	0.4
271.04715	0.5
277.07397	0.4
285.06100	0.8
297.05988	1.8
313.05606	9.3
327.07178	1.5
363.06387	0.5
430.39328	0.5
453.10333	100.0
454.10660	6.6
516.12128	4.0
517.13635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98876	1.0
59.01361	1.5
61.98824	6.5
70.53164	0.8
71.01373	4.2
71.30691	1.4
85.02937	1.2
95.01379	1.1
96.96009	11.7
97.02919	1.5
99.24274	0.9
101.02381	1.1
107.01381	4.0
111.00901	1.3
123.00883	11.2
124.01652	17.8
125.02448	24.4
125.32146	0.9
139.00342	3.3
139.03992	5.8
140.01141	3.0
145.02831	1.0
148.99890	0.9
151.00359	5.6
161.30754	0.8
165.08482	0.8
168.00674	4.9
169.01416	28.7
183.03009	5.1
210.60115	0.9
225.03935	1.0
265.72202	1.0
283.20404	1.0
288.84222	0.8
297.06027	1.3
313.05692	7.5
322.91974	0.9
327.07153	1.8
453.10345	100.0
454.10626	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	517.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45063	0.5
55.01873	1.5
56.20662	0.6
57.03434	1.2
58.00591	2.5
59.01377	67.1
60.01725	0.8
69.03450	2.1
69.35935	1.4
69.36341	3.6
71.01379	67.1
71.39559	0.5
72.99300	2.0
73.02943	20.0
75.00864	1.6
79.01852	0.5
81.03456	1.6
83.01389	3.2
83.05025	1.1
85.02952	8.9
87.00867	2.8
89.02439	90.2
89.96127	0.6
90.02809	0.5
95.01369	2.1
96.95995	1.5
97.02940	6.1
98.19942	1.1
98.81042	0.5
99.00874	35.0
99.04520	0.7
99.55589	0.5
101.02438	31.8
108.70416	0.5
109.02906	0.9
109.06551	0.7
111.00877	1.3
111.08147	0.5
113.02441	11.0
115.04012	2.8
119.03497	4.8
122.03725	0.9
123.08129	1.7
125.02442	19.1
125.06056	1.1
127.03994	0.9
131.03502	17.4
136.05292	1.6
138.06868	5.6
139.07632	2.1
143.03481	2.8
147.08138	1.0
149.04552	36.0
151.07640	5.9
152.04733	0.6
152.08426	20.5
153.09204	22.5
154.09492	0.6
161.04555	6.0
163.11267	4.6
165.09200	0.9
187.11305	0.9
190.09962	1.3
191.05603	14.5
205.12317	43.5
206.12732	1.4
221.06619	1.3
223.06126	0.9
223.13377	2.6
232.69223	0.6
233.06647	17.7
233.10234	1.1
234.06993	0.9
240.95476	0.5
251.07643	1.9
293.08752	18.5
294.09100	0.7
365.14502	2.0
385.18521	3.6
386.18497	0.6
517.22876	100.0
518.23187	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	517.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36267	0.2
55.01878	0.6
55.16508	0.2
57.03437	0.9
58.00598	2.4
59.01376	65.6
60.01707	0.5
60.78629	0.2
61.02966	0.2
61.98824	0.5
64.63311	0.2
67.01856	0.2
67.38271	0.2
69.03448	1.3
69.68909	0.2
71.01378	55.8
71.60403	0.3
72.01738	0.5
72.99303	2.6
73.02943	18.5
75.00851	0.6
79.95727	0.5
81.03448	0.5
83.01368	1.5
83.04980	0.2
83.77781	0.2
85.02950	5.7
86.00089	0.2
87.00873	3.9
87.04518	0.4
89.02439	100.0
90.02776	0.9
95.01389	0.7
96.96022	0.6
97.02966	1.7
99.00875	36.4
99.04513	0.3
100.01241	0.4
101.02437	41.8
102.02747	0.4
102.98556	0.3
107.01421	0.2
107.94631	0.2
111.00906	0.3
113.02444	9.8
114.02753	0.3
114.80627	0.2
115.04015	1.4
119.03501	4.3
125.01506	0.3
125.02441	6.6
127.03995	0.3
128.90117	0.3
129.01923	0.3
131.03496	20.9
132.03836	0.3
137.09752	0.4
141.01956	0.3
143.03482	2.2
149.04544	84.4
150.04877	1.4
161.04549	3.9
161.05911	0.4
161.09750	0.6
163.11270	0.3
167.27238	0.2
169.01338	0.4
175.07635	0.6
175.11266	0.2
176.08409	1.3
177.09099	0.3
179.05637	0.5
179.10750	0.2
187.11264	5.4
188.11530	0.3
189.09178	0.7
190.09962	1.4
191.05603	18.6
192.05952	0.6
196.47766	0.3
203.10851	0.2
204.11502	1.0
205.12340	4.1
221.06648	4.6
223.13416	0.3
230.71922	0.2
233.06583	1.4
233.11771	0.9
241.05093	0.4
243.96860	0.5
251.07700	8.6
252.08073	0.2
256.07407	0.4
263.07513	0.2
271.09702	0.6
275.07675	1.0
277.14487	0.4
293.08807	2.9
294.09470	0.2
295.15518	0.9
311.09888	2.4
385.18799	0.4
517.22919	20.3
518.13696	0.3
518.23175	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	518.0935
Annotation	Dabrafenib
Peak:m/z	Relative Intensity
54.58201	0.4
59.01381	3.4
60.79795	0.3
61.98826	1.5
69.03423	0.3
70.16298	0.9
70.16696	0.8
71.01379	2.9
73.02943	0.8
83.01402	0.5
84.55928	0.3
84.95116	0.4
85.02959	0.7
86.69909	0.4
87.00885	0.8
88.98818	0.7
89.02435	2.1
93.98350	0.3
95.01379	0.6
96.96004	3.0
97.02985	0.4
98.19946	0.3
101.02446	1.7
103.00387	0.4
107.01366	2.0
111.00873	0.6
113.02454	1.2
116.05064	2.1
117.51635	0.3
119.03579	0.5
120.01183	0.4
123.00850	2.3
124.01711	0.5
125.02448	13.9
126.02785	0.5
136.98816	0.4
137.02458	0.5
139.00401	0.9
140.01132	0.6
141.01941	0.4
143.03566	0.4
149.06075	1.2
150.50363	0.3
151.00363	1.5
159.03159	0.3
160.04031	100.0
161.04422	2.5
163.06099	0.5
165.01932	0.4
168.00601	0.9
169.01422	20.7
179.05536	0.7
183.04852	0.4
204.03011	2.3
211.02509	0.6
241.64801	0.3
242.05562	0.4
257.07913	0.5
272.10202	0.5
313.05637	15.9
314.05829	0.6
316.00305	0.4
322.09183	1.2
349.80161	0.3
366.08282	15.8
367.08493	0.6
415.12103	0.6
455.10931	1.5
458.16702	2.3
474.10336	15.1
475.10782	1.3
518.09320	24.9
519.09326	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	518.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24508	0.4
60.61669	0.4
61.98826	100.0
69.86700	1.1
69.87115	1.1
80.93929	0.4
168.84941	0.4
200.17448	0.5
281.51727	0.4
388.69830	0.4
501.82568	0.5
528.64612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11603	1.9
59.01374	21.1
61.98827	29.7
69.51659	16.4
71.01379	17.3
71.51250	2.0
72.99316	3.0
73.02982	2.3
75.47543	2.1
79.95744	4.3
85.02944	5.7
88.98807	6.4
89.02434	9.9
95.01386	4.3
95.86996	2.3
96.96011	45.9
98.19925	4.5
99.00872	4.8
101.02429	5.8
103.00272	2.1
107.01385	6.1
111.00883	5.0
113.02423	5.9
116.92856	4.0
121.02986	2.3
123.00864	7.8
125.02440	65.6
136.98988	1.9
137.02438	2.6
139.00383	8.8
139.04015	3.2
140.01192	4.8
150.03241	3.8
151.00389	6.0
152.04747	2.2
153.01888	3.7
155.03510	2.5
161.02431	5.7
165.01938	2.9
165.05589	5.3
166.99800	2.2
167.03427	2.5
168.00659	10.9
169.01416	95.7
169.05013	2.6
179.05595	6.4
195.06625	2.8
202.65334	2.1
211.00664	3.2
211.02490	33.5
238.08504	3.6
241.03253	2.8
253.10860	12.4
256.07248	2.3
271.04581	53.0
275.02008	4.2
297.06183	3.3
301.00043	4.0
313.05676	17.7
331.06787	5.0
365.90225	2.8
483.06772	100.0
484.08130	9.2
519.18311	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	519.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01379	7.8
61.98830	5.6
69.18935	0.9
71.01385	5.1
71.60802	1.2
83.01376	1.5
85.02947	2.1
87.00873	2.3
88.98766	1.3
89.02433	2.7
93.03481	1.0
96.96003	8.9
99.00904	1.0
101.02428	3.2
107.01414	4.5
111.00845	3.7
113.02446	1.5
119.03464	1.2
120.99652	1.0
121.02981	0.8
123.00880	5.1
123.04500	1.9
124.01752	2.2
125.02447	24.9
127.00310	1.4
136.98814	2.6
139.00340	8.2
140.01161	6.6
145.02901	0.9
149.02368	1.5
150.03163	2.7
151.00327	2.6
153.01953	5.8
154.02750	4.6
155.03447	2.5
160.04016	1.4
161.04552	0.8
163.00206	0.9
163.03964	0.9
165.05556	4.6
167.03506	1.6
168.00630	9.4
168.04224	1.2
169.01411	37.9
169.05045	1.9
175.03960	1.0
179.05573	2.0
183.02965	2.8
193.05042	1.0
195.06534	1.5
209.90614	0.9
209.92715	0.9
211.02487	1.6
211.73016	0.8
271.09677	1.4
297.06131	4.9
313.05637	7.2
327.07193	1.6
456.10986	1.5
483.11411	100.0
484.11838	6.0
519.17157	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	519.1871
Annotation	Styraxlignolide E
Peak:m/z	Relative Intensity
55.01859	2.3
57.03443	1.5
57.52441	0.6
58.00618	0.6
59.01114	0.7
59.01381	12.7
61.77510	0.5
61.98832	4.9
71.01384	10.3
72.99301	1.5
73.02953	2.9
75.00860	1.5
79.95718	0.8
81.85137	0.5
83.01384	43.9
83.05015	0.8
85.02937	4.1
87.00880	1.6
88.98813	0.6
89.02455	4.3
93.03471	0.9
95.01372	1.5
96.96014	7.3
99.00861	1.6
99.04513	1.2
101.02442	5.7
102.98582	1.0
109.02950	0.8
113.02454	3.5
119.03533	1.0
119.05004	2.1
120.99637	0.7
121.02959	5.1
122.03739	7.8
123.00854	0.9
123.04545	4.1
125.02419	1.3
131.03470	1.1
133.01401	0.6
135.04538	0.9
136.01645	0.8
136.05304	2.1
137.02414	1.4
137.06076	7.9
147.04504	3.1
149.04482	0.6
151.00394	2.6
151.03989	1.0
161.02440	1.2
161.04512	2.1
161.06050	1.7
162.06827	1.3
165.01895	0.7
165.09195	2.7
175.04059	0.6
177.02081	0.6
181.12305	2.2
209.08157	2.1
221.08191	3.9
225.05620	0.6
225.11327	1.3
229.80005	1.1
249.06238	0.6
271.03241	0.8
271.06058	5.7
298.12115	1.5
300.02643	1.1
313.14432	1.1
342.10999	5.0
357.13400	100.0
357.26239	2.0
358.13809	6.0
375.27667	0.8
448.60464	0.5
458.43567	0.6
475.15100	0.7
483.18716	3.8
519.20068	7.0
519.31909	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	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.33922	0.8
57.03434	2.8
58.00585	2.1
59.01377	100.0
60.01741	0.8
69.97115	0.8
71.01379	48.5
72.99292	3.6
73.02950	8.3
83.01392	4.3
85.02943	12.6
87.00856	2.6
89.02441	63.4
95.01373	2.4
96.96018	5.4
97.02924	1.1
99.00879	5.5
100.93931	0.9
101.02436	41.6
106.68047	0.9
111.00858	1.0
113.02447	16.2
119.03477	11.1
125.02427	2.4
127.98272	0.8
129.01915	3.6
131.03496	48.9
132.03825	0.9
135.98386	0.9
137.02463	0.8
143.03427	2.7
149.04544	59.9
150.04932	1.1
161.04581	5.5
161.09770	0.8
164.97462	0.8
179.05600	6.9
191.05594	31.1
192.05966	0.9
221.06731	3.7
251.07715	5.4
255.86047	0.9
263.39844	0.9
293.08823	1.2
309.24164	0.9
311.09756	3.1
327.18011	3.2
357.26361	8.2
399.23630	0.9
459.22098	7.3
519.23492	3.1
519.31659	47.7
520.32013	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23477	0.3
51.33918	0.2
52.32251	0.2
55.01878	2.1
57.03458	1.6
58.00593	1.9
59.01377	49.7
59.73052	0.2
60.01713	0.3
61.46521	0.2
61.98814	0.3
69.03458	0.7
69.65933	0.7
69.66363	0.8
71.01379	41.5
72.01711	0.4
72.99315	2.2
73.02946	7.6
75.00873	0.6
81.03443	0.4
81.71310	0.2
83.01390	4.3
83.53790	0.2
85.02946	13.2
87.00873	2.3
89.02441	32.7
90.02767	0.3
91.15152	0.2
95.01389	2.3
96.96030	0.3
97.02956	1.7
99.00871	6.4
101.02441	30.7
102.02760	0.3
111.00865	0.6
113.02447	14.5
119.02650	0.4
119.03491	6.8
122.03788	0.2
125.02440	2.1
129.01941	1.4
131.03496	22.8
132.03825	0.5
134.94559	0.2
136.05295	0.5
137.02374	0.2
138.06943	0.5
143.03490	2.9
149.04549	11.9
150.04919	0.3
151.07623	0.8
152.08415	4.5
153.09218	0.6
155.10751	0.5
159.03024	1.3
161.02501	0.4
161.04552	6.5
163.90247	0.2
173.04489	0.6
179.05641	2.4
191.05600	12.8
193.05000	0.3
207.13899	0.4
210.12581	0.6
221.06653	0.7
225.14940	4.0
233.06703	0.5
235.11836	0.3
236.08882	0.2
251.07768	0.7
291.46643	0.3
293.08792	0.5
311.09650	0.3
319.93982	0.2
372.17911	0.7
387.20212	100.0
388.20547	6.2
519.24432	33.4
520.24890	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86767	0.4
54.76935	0.4
55.01863	1.7
57.03439	1.1
58.00573	1.6
59.01374	34.0
64.67406	0.4
69.03443	0.9
69.31828	3.9
69.32225	1.0
71.01377	32.7
72.99303	1.4
73.02943	11.3
73.24187	0.5
75.00896	0.9
81.03444	0.5
81.13561	0.4
83.01367	2.9
85.02945	8.9
87.00843	1.6
89.02439	34.6
90.02770	0.5
95.01383	1.5
97.02923	1.6
99.00870	11.5
101.02435	23.2
102.02754	0.6
111.00903	0.6
113.02450	8.5
115.03954	0.9
119.03499	4.1
125.02452	3.6
129.01872	0.6
131.03488	4.4
143.03461	1.4
143.48372	0.5
149.04546	11.8
152.08414	4.4
153.09225	0.5
159.02969	0.9
159.68997	0.4
161.04533	3.9
166.86853	0.5
191.05586	4.1
210.12567	0.6
221.06561	0.5
225.14986	2.4
233.06631	1.9
234.70503	0.6
251.07802	0.8
252.77122	0.5
293.08881	0.9
387.20218	27.9
388.20639	1.4
504.21786	0.7
519.24402	100.0
520.24713	7.4
527.84283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2437
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
51.06546	0.3
55.01871	1.4
56.58565	0.2
57.03446	1.4
57.85962	0.2
58.00588	1.1
59.01376	38.1
60.01712	0.3
61.98820	0.7
69.03448	1.6
69.37394	2.1
71.01377	44.7
72.99301	2.3
73.02943	14.8
74.03284	0.3
75.00864	1.7
79.95755	0.4
81.03441	1.1
83.01380	4.1
85.02943	11.2
86.00085	0.4
86.03297	0.2
87.00867	3.1
87.04508	0.5
89.02440	42.8
90.02761	0.3
95.01379	2.2
96.96007	4.7
97.02953	3.2
98.19844	0.5
99.00874	19.2
99.04520	1.0
100.01240	0.3
101.02435	31.9
102.02792	0.5
107.01323	0.3
111.00883	0.7
113.02443	11.2
115.04002	3.0
119.03494	3.4
125.01512	0.4
125.02439	7.4
127.03984	0.4
129.01910	0.4
131.03496	7.8
135.08202	0.4
137.09717	2.0
141.01939	0.3
143.03488	2.8
145.05034	0.4
149.04541	25.2
151.11270	2.5
153.12831	1.8
159.02946	1.3
161.04550	5.7
179.05583	0.4
181.12326	0.8
191.05586	7.3
207.13947	0.4
221.06659	2.0
225.14934	11.0
226.15305	0.6
233.06607	4.8
251.07695	3.1
264.74255	0.3
275.07706	0.3
293.05585	0.3
293.08774	5.0
297.16956	0.4
299.99100	0.5
300.99426	1.2
311.09653	1.2
315.01334	0.5
316.01666	0.8
333.12585	0.2
387.20190	18.2
388.20370	1.3
519.24396	100.0
520.17059	0.5
520.24701	7.6
543.63928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03436	1.1
58.00577	2.2
59.01377	68.2
60.01708	0.8
61.98832	1.9
68.57745	0.3
69.03462	0.9
71.01380	52.4
72.01718	0.9
72.99305	2.8
73.02944	17.0
75.00883	0.6
79.95735	8.9
82.95419	0.4
83.01403	1.1
85.02950	6.5
87.00880	1.9
87.04524	0.4
87.21119	0.3
88.98799	0.8
89.02440	100.0
90.02778	1.2
91.02847	0.5
91.56733	0.3
95.01382	0.6
96.96012	1.5
97.02943	1.5
99.00877	29.6
100.01218	0.8
101.02441	40.3
111.00878	0.4
113.02449	10.0
113.03252	0.5
115.04037	0.7
119.03490	4.2
120.99663	0.4
125.02441	5.5
131.03502	21.3
132.03795	0.4
143.03522	1.7
149.04549	78.0
150.04892	1.6
151.00331	0.4
151.05067	0.5
161.02414	0.4
161.04584	3.4
179.05685	0.4
179.10793	0.7
191.05595	16.4
192.06004	0.6
193.62344	0.4
196.47807	5.1
196.98053	0.8
197.11864	0.5
203.98975	5.0
204.49179	0.5
221.06615	3.7
233.06703	0.7
243.96820	9.9
244.47015	2.1
244.96712	0.7
251.07727	6.1
251.10197	0.4
275.07971	0.5
281.08813	0.3
293.08917	1.5
297.97675	1.1
298.98123	0.5
300.02914	0.7
301.03354	0.5
311.09882	1.2
312.99878	3.2
314.00583	1.3
317.23859	0.3
328.02518	1.1
329.03098	0.8
385.09308	0.4
387.20313	1.8
396.81094	0.4
408.98651	0.6
461.19995	0.5
475.25760	0.7
505.10086	0.8
519.00610	0.4
519.24823	12.2
520.25146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03437	3.2
58.00581	2.2
59.01375	54.5
60.01719	0.7
61.98830	3.3
70.33805	1.7
70.34152	0.7
71.01376	46.0
71.05031	0.6
72.99298	3.8
73.02936	8.8
73.95744	0.6
75.00870	1.1
79.95743	0.6
83.01381	5.4
83.05047	0.6
85.02942	17.1
85.03461	0.9
87.00862	3.6
87.04494	0.9
89.02438	30.3
95.01371	3.7
96.96000	7.7
97.02936	1.3
97.06573	1.2
99.00874	4.2
101.02435	31.8
104.31775	0.7
111.00799	0.9
113.02438	16.9
113.09726	0.7
115.04005	0.7
116.08361	0.6
119.03485	14.3
121.10209	1.2
123.04581	1.1
123.08147	0.8
125.02416	1.7
129.01888	1.1
131.03502	6.3
135.98332	0.8
137.02399	0.7
137.09750	0.7
143.03474	2.5
145.02948	1.2
149.04561	5.7
151.03955	0.9
157.12259	1.3
159.02974	1.2
161.02498	1.4
161.04556	7.8
163.11201	0.9
165.09175	1.3
165.12871	1.3
169.12457	0.6
171.13892	1.1
177.01991	1.0
177.05563	0.6
179.05583	3.5
179.10602	0.7
183.13881	0.9
191.05612	2.6
199.13449	0.7
221.06561	0.7
229.17990	1.3
293.08612	0.8
321.24380	1.5
327.18021	1.8
339.25314	2.2
348.18109	0.5
357.26401	22.0
357.30832	1.1
358.26736	0.9
430.24594	0.6
459.22415	2.4
519.31714	100.0
520.32172	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	519.3168
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
54.57106	0.3
55.01878	1.9
55.02097	0.4
57.03445	2.8
58.00575	1.0
59.01375	37.2
60.01720	0.4
61.98559	0.4
61.98823	4.1
65.48360	0.3
69.03447	0.8
71.01379	23.9
71.05013	0.6
71.61394	0.4
72.99294	2.0
73.02940	8.9
75.00866	1.2
78.95920	0.3
79.95724	0.5
83.01382	5.0
83.05025	0.6
85.02943	13.8
86.00093	0.4
87.00867	2.5
87.04512	0.8
89.02444	6.0
93.03452	0.4
93.07079	0.4
94.98162	0.4
95.01373	1.8
96.95978	2.1
97.02946	0.6
97.06559	0.4
99.00887	3.9
101.02431	19.9
109.43153	0.4
111.00874	3.3
113.02441	9.0
119.03490	1.5
121.02894	0.4
121.10164	0.5
123.04517	1.6
125.02444	1.2
125.09705	0.5
129.01930	1.0
131.03499	1.1
135.98326	0.5
137.02441	0.6
139.11269	1.3
141.01958	0.5
141.12790	0.7
143.03473	0.8
149.04533	1.0
149.09692	0.4
151.03993	1.1
151.11247	0.8
153.05542	1.0
155.10822	0.5
157.12346	1.2
159.02963	2.1
161.04485	3.5
165.09152	1.1
169.12305	1.0
171.13907	0.4
177.01927	1.3
179.05585	0.6
181.12318	0.8
185.11893	0.4
186.12582	1.0
187.13344	1.1
191.05460	0.5
199.13333	1.1
201.14951	1.2
225.14842	0.5
227.16582	0.5
228.13638	0.9
297.24350	0.9
309.24200	0.5
321.24149	0.7
327.18124	0.7
339.25482	0.9
347.17447	0.4
348.17941	1.8
357.26416	13.0
358.26981	0.9
361.18527	0.5
362.19318	1.1
399.23712	1.5
417.24747	0.6
459.21576	1.9
465.28168	0.5
477.23206	0.5
483.29657	1.0
489.30530	1.1
501.30725	2.4
519.31726	100.0
520.32178	7.6
530.32507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01722	0.6
61.98544	0.5
61.98827	2.9
100.73083	0.5
155.83731	0.5
224.00632	0.4
261.84738	0.4
441.34161	1.3
519.33630	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	519.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23815	0.2
57.91230	0.2
59.01376	100.0
60.01711	0.6
61.98828	0.6
65.09846	0.2
65.26660	0.2
67.58182	0.2
70.85482	0.5
75.13537	0.2
75.44673	0.2
78.95894	0.6
103.21538	0.2
120.12256	0.2
140.21864	0.3
152.99605	1.0
205.95979	0.2
239.16679	0.3
323.75211	0.2
373.20245	0.3
459.35327	0.6
473.36880	0.3
483.32132	0.3
515.10388	0.3
519.33502	3.0
520.33978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	0.9
61.98826	2.3
64.39692	0.5
71.17428	1.0
78.51815	0.5
141.91852	0.5
159.76433	0.5
300.95438	0.5
409.90750	0.6
463.84128	0.6
519.32440	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	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01702	0.4
63.67854	0.3
69.71156	0.6
69.71550	2.4
76.16802	0.4
80.19122	0.4
88.79386	0.4
110.41615	0.4
195.65799	0.4
200.47960	0.4
234.72220	0.4
459.38736	1.1
493.51443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4053
Annotation	Ekeberin D1
Peak:m/z	Relative Intensity
54.32927	1.7
71.45028	3.4
78.19114	1.7
96.48093	1.9
96.95978	4.1
103.97208	2.8
108.15730	1.6
131.89093	1.7
136.86380	2.3
137.14384	1.5
142.42606	1.9
214.81499	1.9
296.81979	1.6
315.75296	1.8
357.49481	1.7
409.53928	1.9
459.38425	100.0
460.38492	7.1
519.34003	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	520.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.93409	2.4
177.94460	0.5
253.11072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
61.98827	100.0
63.26281	1.1
71.59702	1.2
80.90472	0.9
110.85315	1.2
113.81868	1.0
116.75277	1.1
163.26045	1.1
183.88234	1.1
196.65268	1.2
252.65109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01603	0.8
61.98830	100.0
69.04041	0.9
94.71521	0.9
96.95974	1.2
105.65741	0.9
116.96641	0.9
125.80880	0.9
319.00626	1.1
386.23245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66161	0.4
53.25282	0.4
59.01370	4.0
71.01369	2.9
71.05005	1.3
71.58670	0.9
72.99301	1.7
73.02935	1.7
75.00867	24.3
81.03453	1.7
85.02967	2.5
87.00864	2.0
89.02437	2.7
95.41758	0.5
96.96074	0.6
97.02962	0.8
99.00894	2.4
99.04507	1.2
104.46288	0.5
125.02431	0.6
129.01981	0.5
131.03452	1.4
143.03477	6.1
149.04543	0.6
161.04536	6.0
179.05592	100.0
180.05916	1.8
191.05598	1.4
327.07874	0.4
341.10806	1.5
479.77710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56296	0.3
59.01369	2.1
61.98783	0.3
69.57372	1.8
71.01381	3.7
73.02934	1.4
77.16415	0.3
83.01373	0.5
85.02946	1.4
89.02457	1.9
95.01368	0.5
96.96014	0.8
99.00867	0.6
101.02427	2.0
102.98588	0.4
113.02433	1.3
121.02953	3.5
122.03725	1.4
123.00887	1.0
123.04517	0.8
125.02464	0.6
131.03503	0.3
134.03775	0.3
135.04536	0.4
136.05309	1.2
137.02451	1.1
137.06087	0.6
143.04947	0.4
145.02870	0.4
146.03673	0.5
147.04558	2.0
147.35278	0.3
149.02417	1.2
149.04541	0.3
150.03209	4.6
151.04024	0.5
158.03705	2.0
159.03125	0.3
159.04497	7.4
160.05286	22.6
161.04546	1.5
161.06050	6.8
162.03310	0.5
163.04008	4.4
164.04781	5.3
173.06041	3.4
174.06853	0.6
175.07631	23.3
176.04736	0.6
176.07971	0.5
177.05548	5.9
178.06355	8.1
192.07867	1.8
193.08705	2.6
278.74243	0.3
283.09744	0.5
299.09372	0.6
300.03204	0.3
311.09570	0.4
314.11392	1.5
317.41159	0.3
317.45334	0.3
329.13907	100.0
330.14267	6.4
334.18579	0.4
341.14075	0.7
359.14996	4.6
360.14905	0.4
371.22296	0.3
505.14301	0.4
521.25275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.4
58.61324	0.2
58.76851	0.3
59.01324	4.6
59.01646	0.3
59.72706	0.3
60.01679	0.3
61.01775	0.4
61.98787	0.6
65.94469	0.2
69.60695	1.5
71.01378	5.6
73.02950	1.4
83.01350	0.3
85.02937	1.4
87.00829	0.3
89.02430	3.2
90.02721	0.3
91.02847	0.3
95.01337	0.2
96.95960	0.4
97.02898	0.3
99.00826	0.9
99.73623	0.2
101.02440	3.1
108.02103	0.7
109.02948	12.6
109.46894	0.2
113.02433	1.6
119.03448	0.8
119.99977	0.3
123.04442	0.8
125.02423	0.6
129.01846	0.3
129.99821	0.3
131.03505	1.3
137.02400	0.4
149.04460	1.1
150.04787	0.3
158.03732	0.3
159.03223	0.5
159.04512	5.7
161.04584	1.3
161.05830	0.4
171.04482	0.3
173.06070	4.3
185.05978	0.3
187.07613	0.3
188.04768	0.3
189.05576	4.6
190.06244	0.6
191.05638	0.5
191.07074	2.3
192.05896	0.4
203.07132	2.6
205.08624	0.4
213.05431	0.7
213.16017	0.3
225.05455	0.6
239.07082	0.3
240.04237	1.7
241.02614	0.6
241.05029	10.6
255.06587	6.4
256.07263	0.3
265.08633	0.9
267.06558	0.9
269.08160	2.0
271.09625	0.3
281.08066	1.0
283.09769	0.9
295.09717	0.9
297.11151	0.2
298.08405	0.9
299.09186	6.9
300.09634	0.4
300.99576	0.3
313.10794	9.9
314.11038	0.6
327.12402	0.8
328.09583	0.5
329.10321	4.3
330.10721	0.3
343.11841	2.2
344.12613	34.4
345.12994	1.9
355.13004	0.4
359.14972	100.0
360.15344	5.4
387.20209	1.2
388.20483	1.8
389.20923	4.1
431.14505	1.6
521.19641	1.9
521.26501	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.4
58.61324	0.2
58.76851	0.3
59.01324	4.6
59.01646	0.3
59.72706	0.3
60.01679	0.3
61.01775	0.4
61.98787	0.6
65.94469	0.2
69.60695	1.5
71.01378	5.6
73.02950	1.4
83.01350	0.3
85.02937	1.4
87.00829	0.3
89.02430	3.2
90.02721	0.3
91.02847	0.3
95.01337	0.2
96.95960	0.4
97.02898	0.3
99.00826	0.9
99.73623	0.2
101.02440	3.1
108.02103	0.7
109.02948	12.6
109.46894	0.2
113.02433	1.6
119.03448	0.8
119.99977	0.3
123.04442	0.8
125.02423	0.6
129.01846	0.3
129.99821	0.3
131.03505	1.3
137.02400	0.4
149.04460	1.1
150.04787	0.3
158.03732	0.3
159.03223	0.5
159.04512	5.7
161.04584	1.3
161.05830	0.4
171.04482	0.3
173.06070	4.3
185.05978	0.3
187.07613	0.3
188.04768	0.3
189.05576	4.6
190.06244	0.6
191.05638	0.5
191.07074	2.3
192.05896	0.4
203.07132	2.6
205.08624	0.4
213.05431	0.7
213.16017	0.3
225.05455	0.6
239.07082	0.3
240.04237	1.7
241.02614	0.6
241.05029	10.6
255.06587	6.4
256.07263	0.3
265.08633	0.9
267.06558	0.9
269.08160	2.0
271.09625	0.3
281.08066	1.0
283.09769	0.9
295.09717	0.9
297.11151	0.2
298.08405	0.9
299.09186	6.9
300.09634	0.4
300.99576	0.3
313.10794	9.9
314.11038	0.6
327.12402	0.8
328.09583	0.5
329.10321	4.3
330.10721	0.3
343.11841	2.2
344.12613	34.4
345.12994	1.9
355.13004	0.4
359.14972	100.0
360.15344	5.4
387.20209	1.2
388.20483	1.8
389.20923	4.1
431.14505	1.6
521.19641	1.9
521.26501	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87809	1.0
51.35038	1.1
53.56424	1.0
55.01862	3.3
56.22099	1.0
57.03440	2.9
58.00587	2.7
59.01376	51.0
61.98825	5.6
62.01072	1.1
63.24703	1.2
70.87041	1.6
70.87374	1.4
71.01377	40.6
72.99296	3.9
73.02943	16.0
75.00860	2.8
83.01369	4.9
85.02954	15.5
86.00092	2.6
87.00864	5.3
87.04495	1.3
87.10034	1.1
89.02436	30.6
93.03430	3.3
95.01373	3.7
95.88863	1.1
96.96009	6.3
97.02903	2.0
99.00880	15.2
101.02444	27.0
107.01412	1.1
109.02966	5.5
111.00872	2.7
113.02442	15.2
119.03506	5.5
120.99643	1.3
121.02967	5.9
123.00858	2.2
123.08142	1.6
124.72527	1.1
125.02444	5.6
131.03464	5.3
133.02995	2.0
135.04539	2.4
137.02473	2.6
143.03500	1.8
145.02930	4.6
147.02919	3.0
147.04472	2.5
149.04497	4.6
149.05685	1.0
150.03117	1.2
151.00354	1.9
151.03947	1.2
153.01892	4.3
153.09222	1.8
159.03004	1.2
159.04430	1.7
161.02409	3.8
161.04515	6.2
165.05519	1.2
169.01405	2.7
177.01898	2.0
179.03452	1.3
189.93744	1.0
191.05560	3.9
195.06490	1.2
223.09703	1.4
227.07129	1.9
227.16557	2.1
238.06252	1.9
243.12296	1.8
248.30060	1.0
255.06679	2.1
255.16000	6.1
265.08563	2.1
267.06638	3.7
268.07385	3.0
269.08148	8.4
269.17560	3.4
270.09094	2.4
280.07379	2.1
281.08109	10.2
282.08868	4.3
283.09683	8.4
284.10416	1.4
293.08273	4.4
295.09778	3.1
296.10352	1.7
299.09161	4.6
311.09329	8.3
312.09885	1.3
314.08270	2.1
314.11520	7.4
315.12341	4.3
325.10626	1.3
326.11551	12.1
327.12338	7.5
329.13794	12.4
340.09503	5.9
341.13983	8.1
343.11856	19.5
355.11829	15.7
356.12421	1.9
358.44571	1.2
373.12820	2.4
389.21783	10.3
390.50189	1.4
401.21509	7.1
459.09659	1.4
461.14282	1.5
473.14151	5.6
476.16574	9.8
483.18497	4.0
485.20425	8.5
488.17178	6.5
491.19199	100.0
492.19516	8.4
503.19183	93.3
504.19354	7.0
521.26727	40.4
521.33325	5.8
522.26648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87809	1.0
51.35038	1.1
53.56424	1.0
55.01862	3.3
56.22099	1.0
57.03440	2.9
58.00587	2.7
59.01376	51.0
61.98825	5.6
62.01072	1.1
63.24703	1.2
70.87041	1.6
70.87374	1.4
71.01377	40.6
72.99296	3.9
73.02943	16.0
75.00860	2.8
83.01369	4.9
85.02954	15.5
86.00092	2.6
87.00864	5.3
87.04495	1.3
87.10034	1.1
89.02436	30.6
93.03430	3.3
95.01373	3.7
95.88863	1.1
96.96009	6.3
97.02903	2.0
99.00880	15.2
101.02444	27.0
107.01412	1.1
109.02966	5.5
111.00872	2.7
113.02442	15.2
119.03506	5.5
120.99643	1.3
121.02967	5.9
123.00858	2.2
123.08142	1.6
124.72527	1.1
125.02444	5.6
131.03464	5.3
133.02995	2.0
135.04539	2.4
137.02473	2.6
143.03500	1.8
145.02930	4.6
147.02919	3.0
147.04472	2.5
149.04497	4.6
149.05685	1.0
150.03117	1.2
151.00354	1.9
151.03947	1.2
153.01892	4.3
153.09222	1.8
159.03004	1.2
159.04430	1.7
161.02409	3.8
161.04515	6.2
165.05519	1.2
169.01405	2.7
177.01898	2.0
179.03452	1.3
189.93744	1.0
191.05560	3.9
195.06490	1.2
223.09703	1.4
227.07129	1.9
227.16557	2.1
238.06252	1.9
243.12296	1.8
248.30060	1.0
255.06679	2.1
255.16000	6.1
265.08563	2.1
267.06638	3.7
268.07385	3.0
269.08148	8.4
269.17560	3.4
270.09094	2.4
280.07379	2.1
281.08109	10.2
282.08868	4.3
283.09683	8.4
284.10416	1.4
293.08273	4.4
295.09778	3.1
296.10352	1.7
299.09161	4.6
311.09329	8.3
312.09885	1.3
314.08270	2.1
314.11520	7.4
315.12341	4.3
325.10626	1.3
326.11551	12.1
327.12338	7.5
329.13794	12.4
340.09503	5.9
341.13983	8.1
343.11856	19.5
355.11829	15.7
356.12421	1.9
358.44571	1.2
373.12820	2.4
389.21783	10.3
390.50189	1.4
401.21509	7.1
459.09659	1.4
461.14282	1.5
473.14151	5.6
476.16574	9.8
483.18497	4.0
485.20425	8.5
488.17178	6.5
491.19199	100.0
492.19516	8.4
503.19183	93.3
504.19354	7.0
521.26727	40.4
521.33325	5.8
522.26648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32728	0.9
55.01875	1.3
57.03434	1.9
58.00587	3.8
59.01376	100.0
61.98831	2.0
69.03484	0.9
71.01378	81.5
71.60767	1.3
72.99284	6.4
73.02944	7.6
73.50780	1.0
75.00840	1.6
83.01397	4.1
85.02942	14.8
87.00879	6.0
89.02441	98.8
91.05555	1.0
93.03429	1.5
95.00858	1.0
95.01372	5.8
96.96008	2.9
97.02950	2.1
99.00891	4.8
101.02435	42.7
107.01383	3.2
108.02158	8.9
108.04552	4.8
109.02950	5.8
113.01706	2.1
113.02448	31.6
119.03495	30.3
121.02956	1.4
123.00891	1.5
125.02442	6.1
131.03496	5.6
135.04515	12.7
137.02438	1.6
143.03485	7.5
145.02940	2.5
149.02490	1.3
149.04532	5.4
150.05544	2.7
151.00378	15.3
151.03979	1.8
152.01126	11.7
153.01973	4.7
155.10732	1.7
161.04546	10.3
164.03496	1.5
167.07137	1.2
169.01376	2.6
175.00325	2.0
176.01025	1.7
177.01866	1.5
179.05594	15.1
179.07008	1.4
190.02698	4.2
190.87906	1.2
191.03430	3.0
191.05502	2.2
195.02985	2.3
205.05029	3.1
211.02365	1.2
224.04810	2.7
238.06236	2.9
251.07320	1.2
254.09456	1.2
255.05112	5.0
255.10254	6.0
266.05927	2.5
269.11777	2.3
270.12527	2.4
271.04605	1.9
271.99777	1.3
282.09006	1.7
283.09738	31.5
284.10022	2.4
287.05600	15.2
293.08426	1.1
294.08865	1.1
295.09592	4.3
296.10507	2.5
297.11243	2.0
298.12070	3.8
310.12012	2.5
311.09225	69.7
312.09448	3.6
315.07275	2.4
325.10657	7.9
326.07898	2.0
326.11578	38.9
327.11966	1.4
341.13907	73.7
342.14059	3.7
359.20703	3.2
379.17041	1.1
389.21686	3.9
483.18588	2.2
491.17923	1.3
491.24966	25.8
492.25342	2.1
521.12885	17.0
521.20239	5.7
521.25940	5.9
521.32501	6.9
522.13074	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
57.03448	0.6
58.00589	1.1
59.01376	41.8
59.98512	1.1
65.72462	0.4
69.03448	0.9
71.01379	25.2
71.01775	1.2
71.59550	0.7
72.99287	1.3
73.02942	2.2
76.04987	0.5
79.95710	0.5
81.03432	0.7
83.01380	0.7
85.02944	3.9
87.00834	0.5
89.02441	34.7
96.96010	20.7
96.96488	0.5
97.02949	2.2
99.00872	1.0
99.04523	1.2
101.02438	12.0
113.02449	6.1
119.03492	2.2
123.04535	1.4
125.02438	13.5
129.01910	0.7
131.03494	15.8
143.03473	2.0
149.04555	15.0
153.05585	3.3
161.04494	0.6
163.06207	0.7
167.10770	100.0
168.11099	2.4
172.58952	0.5
189.26166	0.5
191.05614	6.4
191.10837	0.7
202.67310	0.6
209.11745	0.6
233.06670	1.2
293.08740	17.5
328.02252	1.3
343.04584	1.1
353.33459	0.5
461.19885	5.6
521.33441	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
57.03433	2.7
58.00599	3.9
59.01377	77.9
65.75293	1.4
69.37786	14.9
71.01380	55.4
72.99306	4.8
73.02943	11.6
75.00848	2.9
79.95718	2.2
80.45132	1.4
83.01377	5.4
84.82166	1.8
85.02950	15.8
87.00868	2.2
89.02443	72.8
96.96028	8.4
99.00860	9.1
101.02427	37.2
113.02454	13.2
116.92826	4.2
119.03532	9.2
122.06093	5.2
125.02451	5.2
131.03491	45.9
133.01364	1.8
143.03450	1.9
144.04570	2.0
146.06064	3.6
147.03233	2.0
149.02565	2.7
149.04543	65.1
160.04001	4.3
161.04536	6.6
162.05595	2.5
163.88295	1.4
172.04051	4.4
173.04547	2.3
174.05579	4.6
176.07205	2.2
177.05383	1.6
179.05673	1.7
191.05612	29.2
202.05193	2.2
204.06627	11.3
209.05934	1.8
214.05077	2.3
221.06680	2.9
232.06165	2.6
238.10999	3.2
239.74847	1.7
241.09746	1.8
248.05566	5.0
251.07706	3.4
253.13408	9.9
254.11542	1.9
255.11215	1.6
262.07285	3.4
263.07944	3.0
267.07602	2.8
268.08426	2.1
269.12964	2.7
280.08633	1.6
281.09198	4.5
282.10052	3.0
283.10733	2.5
293.08939	2.0
295.10712	7.6
296.11539	4.0
297.12399	29.7
309.12167	2.2
311.09915	4.2
311.13800	2.4
325.11929	7.4
337.11990	2.7
339.13409	1.8
355.12958	41.5
356.13257	3.0
359.15063	3.8
367.12842	3.8
381.10681	2.4
384.10562	1.9
387.15372	2.9
389.21674	17.9
391.12897	2.3
399.11902	21.7
401.13382	6.6
431.14578	100.0
432.14816	6.8
443.14569	6.8
453.12512	2.2
461.15417	10.8
467.14224	2.5
485.15668	5.9
503.16449	4.3
521.17773	50.0
521.25806	19.1
522.18292	2.1
525.18457	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	521.2597
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
56.06604	0.8
57.03458	1.4
58.00592	3.0
59.01377	73.6
61.98830	18.2
69.03477	0.9
71.01382	58.4
72.99300	3.8
73.02943	19.8
75.00876	1.0
83.01388	3.1
85.02948	8.1
87.00879	2.4
89.02441	90.3
93.03429	0.8
95.01384	2.0
96.96022	6.6
97.02949	1.7
98.20776	1.2
99.00880	33.0
101.02441	38.3
107.01386	3.2
109.02958	1.1
109.06591	1.3
111.00880	1.7
113.02444	14.1
115.03987	0.9
119.03489	6.2
120.99608	0.9
123.00867	4.1
123.04531	17.3
124.01651	1.5
125.02442	23.5
127.00347	1.1
131.03503	16.8
137.02409	2.1
139.00343	1.9
139.03922	1.3
140.01172	1.7
141.01993	1.2
143.03482	1.9
149.02585	2.0
149.04546	47.2
151.00404	2.3
153.05576	17.2
153.09155	6.7
161.04573	3.7
163.11305	1.4
164.04758	1.6
167.03471	1.4
168.00616	10.2
168.99976	1.6
169.01419	28.4
175.00308	2.5
179.05595	1.9
181.12387	1.6
190.02730	7.4
191.05603	12.1
195.02995	1.1
205.05051	6.8
207.10181	4.2
209.15399	2.3
211.02467	48.4
221.06718	2.2
223.06100	1.3
225.11296	3.3
227.07309	1.7
233.06615	0.9
241.03520	1.0
243.12279	1.8
251.07681	5.4
271.04575	71.1
272.04880	2.7
293.08734	3.0
329.14163	0.9
331.06696	12.6
359.14853	1.0
367.10291	16.2
368.10690	1.5
389.21515	4.5
397.24231	1.0
461.20264	2.5
483.19043	1.9
521.20129	21.3
521.25989	100.0
521.32928	3.6
522.20837	1.2
522.26282	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64230	0.2
55.01876	2.5
57.03446	2.0
58.00590	0.6
59.01379	15.3
61.98821	1.0
68.99809	0.3
69.03443	0.6
69.26378	0.9
69.26810	1.1
71.01380	20.0
71.05003	0.3
72.01732	0.3
72.99301	1.1
73.02940	7.9
75.00863	0.6
83.01385	4.1
85.02947	11.6
86.00086	0.5
87.00864	1.6
87.04497	0.5
88.98819	0.2
89.02437	3.8
95.01399	2.1
96.96004	0.8
97.02969	0.3
97.06566	0.4
99.00871	3.0
101.02441	16.8
108.02161	0.4
109.02922	0.6
111.00885	3.3
111.08112	0.2
113.02444	7.4
119.03509	1.4
121.10214	1.7
123.08117	0.2
125.02429	0.8
125.09721	0.4
127.11246	0.5
129.01886	1.1
131.03471	0.4
137.02440	0.3
137.09682	0.3
141.01942	0.5
141.12857	1.0
143.03474	0.8
152.01125	0.4
153.01897	0.6
153.05588	0.4
155.10751	1.2
157.12315	1.0
159.02991	1.8
161.04555	2.3
163.06100	0.2
169.12280	0.3
171.13873	1.3
179.05600	0.4
179.10693	0.2
183.07196	0.2
183.13914	0.5
187.13405	2.4
199.13408	0.3
200.14047	0.2
201.14940	6.8
229.14256	0.3
230.15251	0.6
234.39456	0.2
299.25714	0.6
333.19281	0.3
341.27011	0.5
357.26379	0.4
359.27985	10.3
360.28290	0.5
362.19638	0.3
363.20151	2.7
461.23984	0.6
461.30768	0.3
477.17661	0.3
491.32089	0.8
503.31976	0.7
507.37805	0.3
519.31677	0.7
521.33252	100.0
522.33624	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03444	2.7
58.00599	1.2
59.01376	30.4
61.98824	4.0
69.03448	0.6
71.01378	33.6
71.05013	0.4
72.01732	0.3
72.99297	2.0
73.02942	7.0
75.00882	0.7
82.95377	0.3
83.01385	3.9
84.02177	0.3
85.02946	14.0
85.06589	0.5
87.00872	2.1
87.04543	0.4
88.98796	0.5
89.02438	14.3
93.03443	0.4
95.01387	3.2
96.96015	1.8
97.02939	0.5
97.06568	0.6
99.00877	3.5
101.02433	21.4
102.97871	0.3
109.02930	0.4
111.00887	2.4
113.02446	10.4
113.09711	0.3
115.07643	0.8
119.03501	4.0
123.00848	0.5
123.04508	0.6
123.08189	0.6
124.01681	0.3
125.02433	2.4
127.11265	0.5
129.01939	1.1
131.03490	1.1
135.04649	0.2
137.01447	0.3
137.02444	1.0
137.09711	0.5
143.03494	1.2
145.02943	0.3
149.04541	1.0
151.00491	0.3
151.03964	0.3
153.12805	0.3
155.10767	0.9
157.12369	0.6
159.02960	1.7
161.04546	4.4
167.03603	0.4
167.10760	25.1
168.11134	0.8
169.01422	0.7
169.12323	0.6
171.13930	0.5
173.04472	0.3
179.03572	0.3
179.05614	1.0
183.13843	0.3
187.13365	3.4
191.03676	0.2
191.05688	0.4
201.14919	1.4
211.02550	0.4
229.95461	0.3
230.15280	0.4
271.04367	0.3
271.19055	0.3
293.08762	2.1
297.12360	0.5
299.25772	0.3
333.19098	0.5
338.19305	0.2
341.26886	0.5
349.18445	0.4
355.13138	0.4
359.28006	15.4
360.28476	0.8
373.26123	1.5
389.21841	1.4
393.50418	0.2
461.20416	2.5
483.18610	1.7
491.32065	0.3
503.31595	0.5
521.26740	3.6
521.33264	100.0
522.21368	0.4
522.33575	7.8
522.41034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.5
57.03445	6.1
58.00585	1.5
59.01377	38.5
61.98825	3.2
63.08221	0.9
66.86336	0.7
69.03453	1.6
69.26215	8.0
71.01380	43.0
72.01739	1.6
72.99298	3.7
73.02943	14.2
75.00860	1.7
83.01388	10.3
84.01698	1.0
85.02946	21.3
86.03255	0.9
87.00876	4.8
89.02451	10.8
93.03439	1.3
95.01378	4.9
96.96008	2.2
97.02940	1.0
99.00867	6.4
101.02441	33.2
102.02801	1.3
107.00626	0.8
107.01400	2.5
109.02936	1.3
111.00887	4.3
113.02451	14.2
114.02802	1.4
115.22690	0.8
117.03465	24.4
118.03786	1.9
119.03507	3.1
119.05009	7.7
121.02951	2.9
125.02471	4.8
127.11305	1.2
129.01955	2.5
131.03513	1.3
136.03932	1.0
137.02470	1.2
137.09732	1.6
143.03545	1.3
145.02948	63.8
146.03275	4.1
149.04536	1.4
151.00339	4.9
153.01875	2.0
155.10783	3.2
157.12297	1.1
159.02982	3.0
159.04248	0.8
161.04533	5.2
163.00342	1.0
163.04005	8.3
164.04420	0.8
167.10750	0.8
171.13927	1.2
173.06259	0.9
173.11693	0.8
179.03583	0.9
180.36732	0.8
185.06137	1.1
187.03957	2.0
187.13420	1.0
189.05649	0.9
189.45097	0.9
201.14954	4.4
211.04088	1.2
213.05594	1.6
227.03467	6.7
229.05020	5.3
230.15144	1.9
239.03345	1.1
255.03033	9.0
256.03690	1.1
257.04633	4.4
284.03238	7.3
285.04031	100.0
286.04404	10.9
343.24847	1.0
359.28000	21.3
360.28415	7.1
361.29568	6.9
373.25848	3.9
374.26382	3.1
490.67194	1.0
492.12534	4.3
492.62973	1.0
501.13217	8.0
501.63422	2.3
521.33270	85.6
522.13647	7.0
522.26935	3.1
522.33655	59.1
522.63562	4.1
523.34827	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	522.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03440	1.7
59.01376	33.9
60.07232	0.6
61.98838	3.3
65.00317	0.9
69.32671	1.0
69.33066	5.1
71.01379	24.2
71.01772	1.2
72.01721	1.3
72.99316	1.7
73.02953	6.3
75.00871	0.7
81.03462	0.6
83.01381	4.0
84.13692	0.6
85.02952	10.4
85.43227	0.7
87.00874	2.0
87.04500	0.8
89.02444	10.4
90.02730	0.8
93.03457	1.1
95.01364	3.1
96.95985	1.6
97.02954	1.5
97.06597	0.7
99.00871	2.9
101.02445	15.4
102.02766	1.0
107.01382	2.9
111.00912	1.7
113.02444	8.7
116.89804	0.7
117.02634	1.4
117.03461	23.8
118.03836	1.0
119.03543	4.9
119.05005	7.4
121.02925	2.1
121.10204	1.3
125.02419	3.0
137.02525	1.1
141.01962	0.8
143.03554	0.9
143.04974	1.0
145.02946	66.3
146.03290	3.0
149.04567	1.0
151.00340	4.5
159.03073	1.3
159.04442	1.6
161.04543	3.0
161.05888	0.6
162.03334	0.9
163.00311	1.3
163.04016	8.5
169.01422	1.7
171.13875	0.8
179.05492	0.8
179.72047	0.7
182.10272	0.7
185.06042	1.9
187.03993	1.7
187.13377	0.7
197.06126	1.4
201.14941	4.0
202.15305	1.0
213.05545	2.0
227.03491	6.7
229.04948	5.8
230.05174	0.8
230.69092	0.7
239.03491	0.9
241.05165	0.9
255.03004	8.3
256.03452	2.2
257.04547	4.8
277.13083	0.7
284.03287	7.7
285.04025	100.0
286.04382	10.0
359.27988	7.7
360.28235	2.1
362.08914	0.8
363.20337	1.5
373.25919	2.8
374.26257	2.0
375.27615	1.5
390.74530	0.8
435.10730	1.2
456.11667	1.9
478.18372	1.0
492.12744	4.2
492.62933	1.4
501.13498	6.9
501.63596	1.9
521.33331	44.2
522.13763	9.5
522.20734	1.2
522.26746	1.1
522.33655	30.3
522.63910	3.6
523.14313	2.0
523.21960	1.7
523.34344	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	522.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54086	0.6
57.62901	0.6
58.26440	0.6
59.01375	14.0
60.01719	1.5
61.01801	2.0
61.98828	100.0
70.17781	3.2
82.28796	0.6
87.31028	0.7
88.84902	0.7
105.23615	0.6
110.64326	0.7
187.58380	0.8
203.81537	0.7
295.82443	0.7
487.34430	3.0
495.18243	0.7
522.35046	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	522.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20100	0.5
59.91490	0.4
60.63594	0.4
61.98828	100.0
63.06899	0.5
69.92061	0.4
70.40756	1.6
72.24628	0.4
108.40170	0.4
234.28951	0.4
234.91641	0.4
300.08542	0.5
300.95056	0.4
345.79013	0.5
426.39383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67345	0.4
56.21337	0.4
59.01374	1.4
61.80980	0.4
67.01895	0.6
69.03454	0.9
69.24293	3.8
69.48189	0.4
71.01381	3.3
79.01900	0.8
81.03424	0.6
83.01431	0.7
85.02945	1.0
89.02437	0.7
93.03400	0.5
94.13795	0.5
95.01385	1.2
95.89478	0.4
97.02942	1.3
101.02434	1.1
107.01389	9.1
111.00888	3.0
113.02425	0.9
115.17712	0.4
123.00869	7.1
124.01668	1.7
125.02443	49.3
126.02790	0.7
127.00371	1.0
136.98816	1.2
137.02420	0.6
139.00389	4.7
139.03983	0.9
140.01169	4.6
141.01985	0.7
141.17343	0.4
151.00356	5.3
151.04022	0.6
160.50227	0.4
161.02461	3.9
162.03194	1.0
168.00635	6.0
169.01416	63.1
170.01807	1.4
176.04800	2.6
179.03470	6.1
180.04259	2.2
183.03043	2.9
191.07126	1.2
193.01262	0.4
194.05824	6.9
195.06599	2.9
199.86467	0.4
209.08195	4.1
211.02412	0.8
241.03520	1.6
297.06177	2.4
311.10239	0.5
313.05624	18.4
314.06122	0.7
327.07254	2.5
343.12891	1.6
346.13281	0.6
359.14960	0.5
360.15439	1.0
361.15491	1.8
367.67010	0.6
425.95410	0.5
515.49506	0.4
523.14514	100.0
524.14825	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	523.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03452	0.7
58.00584	0.6
59.01377	21.8
62.27036	0.5
69.03455	0.6
69.47250	4.0
71.01381	14.3
72.99297	1.5
73.02943	2.1
83.01385	1.7
85.02949	4.1
87.00873	0.9
89.02445	14.2
89.03001	0.7
91.05563	0.8
95.01383	1.2
96.96004	1.2
99.00873	0.9
101.02436	11.0
107.01376	3.5
108.10616	0.6
111.00865	1.5
113.02451	6.3
119.03500	4.6
123.00915	2.4
124.01689	2.6
125.02443	24.6
125.60284	0.5
131.03484	2.3
136.98836	1.3
137.02444	1.1
139.00366	3.0
140.01128	3.3
141.91911	0.5
143.03444	0.7
148.12669	0.6
149.04546	2.9
151.00357	2.0
151.01508	0.6
151.15126	0.5
161.04596	2.7
163.07660	0.6
165.01923	0.8
165.05493	0.7
165.25870	0.5
167.03490	1.5
168.00639	17.4
169.01419	35.8
170.01784	0.7
171.01042	0.5
177.74399	0.6
179.05605	0.6
183.03030	0.5
191.05643	1.1
195.06627	0.6
195.54164	0.5
209.08197	0.7
211.02469	65.8
212.02824	1.9
214.06822	0.5
225.81454	0.5
241.03503	1.2
271.04568	64.8
272.04953	1.6
323.71988	0.6
331.06598	3.2
331.17532	4.4
371.13455	22.1
372.13766	1.3
396.29779	0.6
463.21829	15.3
464.21927	0.7
523.14520	100.0
524.14978	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	523.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70963	0.4
57.00359	0.4
57.03401	0.4
58.74908	0.4
59.01377	5.7
61.98830	1.9
68.18167	0.3
69.03442	0.6
70.88965	0.9
71.01376	4.8
72.99307	2.4
73.02924	1.2
74.99081	1.0
75.00845	0.4
77.81400	0.4
80.96531	0.4
82.95398	0.5
83.01381	0.6
83.05003	0.5
85.01006	1.2
85.02946	10.1
87.00881	2.6
89.02451	2.2
93.03461	4.1
95.01411	0.5
96.96015	6.5
99.00867	1.2
99.04486	0.7
101.02441	2.9
104.93944	0.5
105.01943	0.4
107.01360	0.6
109.02933	1.1
111.04489	1.7
113.02446	2.3
115.03992	0.4
116.92838	0.6
117.02018	0.4
120.99651	0.5
122.06103	1.0
125.02450	3.1
127.03989	1.4
127.38644	0.4
135.04497	1.2
136.99059	0.9
137.02440	0.7
143.03513	0.7
143.05220	0.9
145.03011	0.9
146.06166	0.5
149.04552	1.2
151.00336	0.6
151.04025	0.4
155.03499	0.7
160.04015	1.1
161.02405	0.5
161.04585	1.4
165.01840	0.4
169.01419	2.8
171.03056	0.5
173.04495	1.2
179.03456	0.4
187.07825	0.5
189.04277	2.6
190.04880	0.4
191.05592	56.8
192.05954	2.5
195.06586	0.4
199.04105	1.1
205.05119	0.5
217.05130	3.3
243.22679	0.4
259.06241	1.1
267.11420	2.3
281.08105	0.8
286.06204	0.6
287.05765	11.8
288.06317	0.4
289.07272	1.4
299.09531	0.7
300.06549	1.8
300.99994	0.5
301.07251	2.4
311.10358	5.0
319.08182	0.6
329.11270	0.7
331.17664	1.1
343.08200	0.8
343.12680	4.3
349.12894	2.4
361.09290	5.4
379.10538	1.9
403.14456	0.4
463.21817	4.6
485.12634	0.8
491.16449	0.5
523.18500	100.0
524.18927	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	523.2179
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.77025	0.3
59.01097	0.5
59.01376	6.7
61.98810	0.5
62.03720	0.3
66.16389	0.4
71.00999	0.4
71.01378	7.0
72.99324	0.4
73.02939	1.5
73.38486	0.3
82.32725	0.3
83.01392	0.3
85.02932	1.5
89.02438	5.7
93.03455	1.4
99.00866	1.8
101.02437	3.9
101.19916	0.3
102.08724	0.3
102.12048	0.3
108.02189	0.5
109.02948	3.8
113.02449	1.6
119.03471	1.0
121.02948	10.1
122.03733	10.4
123.04491	1.0
124.01662	1.0
131.03496	1.4
134.03719	0.7
135.04515	1.5
136.05249	1.0
137.02422	1.4
146.03670	0.5
147.04512	4.9
148.05309	0.6
149.04532	3.9
149.06062	1.3
151.03998	0.4
154.02698	1.4
155.10693	0.9
161.04599	0.9
161.06102	1.4
164.04832	0.3
165.05557	21.5
166.05894	0.7
175.07507	0.6
178.06355	0.3
179.05731	0.4
179.07123	7.1
191.05597	0.9
192.70981	0.5
193.08720	0.5
199.09718	0.7
207.92703	0.3
209.08112	0.9
223.09761	0.9
251.07652	0.4
298.12085	0.8
313.14529	1.2
315.12381	1.9
316.13080	0.7
331.17581	1.2
343.15250	0.5
346.14154	8.1
347.14496	0.4
361.16528	100.0
362.16861	6.6
393.56396	0.3
463.21759	9.4
464.22159	0.6
523.14001	0.5
523.21216	1.5
523.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03440	2.5
58.00580	2.0
59.01377	64.5
63.21706	1.0
71.01381	43.3
71.53941	0.8
71.60060	1.6
72.99303	2.5
73.02945	10.8
79.95713	1.0
80.96501	3.5
83.01385	5.8
84.69386	1.0
85.02950	17.9
87.00877	3.1
88.98798	5.5
89.02447	20.6
93.03435	1.7
95.01377	2.5
96.96019	1.7
97.02963	1.5
99.00900	4.5
101.02440	32.8
109.02921	4.7
111.00880	1.0
113.02434	16.3
117.03560	0.9
119.03499	8.3
121.02946	16.0
122.03764	9.5
123.04510	3.2
124.01599	0.9
125.02392	2.2
131.03493	17.7
135.04472	1.4
136.05255	1.3
137.02460	2.0
143.03462	1.6
145.02936	1.4
147.04517	6.8
149.04562	2.0
149.05965	1.1
159.03059	1.5
161.04536	12.9
161.06041	2.8
164.04825	1.2
165.05573	23.0
179.05786	1.4
179.07104	6.6
191.07140	2.1
223.09785	1.3
298.12018	1.7
300.02649	1.8
301.03400	1.1
313.14359	2.1
315.12045	1.3
328.13147	3.8
329.13916	1.4
331.17621	27.4
332.17856	1.6
343.15448	9.1
346.14160	9.0
347.14832	2.2
361.16528	78.9
362.16812	4.9
391.22995	1.5
433.07648	3.2
463.21814	23.6
464.22296	1.8
523.15265	4.1
523.21735	100.0
524.22070	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	523.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12225	0.5
55.01867	2.0
57.03436	1.9
58.00578	1.2
59.01376	24.1
61.98806	1.8
70.96317	1.3
71.01378	21.3
72.99293	1.4
73.02943	6.5
74.34714	0.6
74.99059	1.1
76.87174	0.7
78.98590	1.0
79.95734	4.8
80.96510	9.6
83.01385	3.0
85.02949	8.8
86.00080	0.6
87.00855	3.5
87.04492	0.7
88.98789	1.7
89.02441	8.8
93.03409	0.8
94.98052	1.9
95.01364	2.5
96.95995	5.0
97.02946	1.0
99.00866	3.7
101.02438	13.6
108.02127	1.0
109.02943	3.3
111.00867	1.4
111.14163	0.6
113.02445	7.8
119.03470	2.4
121.02946	8.8
122.02898	0.8
122.03734	8.6
122.97575	0.9
123.04474	1.8
124.01632	1.3
125.02415	2.5
129.03514	0.7
131.03465	2.5
132.99655	0.6
134.97549	1.2
135.04468	2.8
136.05206	0.9
136.99152	1.0
137.02411	2.0
145.02870	0.7
147.04512	6.2
148.99118	0.9
149.04514	1.3
149.06023	0.9
151.00615	1.5
152.98642	1.4
154.02686	0.9
155.10770	5.3
161.04510	3.0
161.05937	1.4
163.04024	0.8
164.98601	2.5
165.05548	18.0
166.06013	0.7
169.01340	0.7
179.05646	1.2
179.07095	6.1
179.10771	1.1
190.13112	0.6
191.07056	1.6
196.47772	1.7
199.09741	3.4
203.98994	1.6
209.08067	0.9
209.11797	11.3
223.09845	1.0
225.00610	3.3
227.12845	2.3
243.96808	5.0
244.46800	0.7
244.96739	1.3
253.09158	1.3
299.04211	1.1
300.02667	0.8
312.99741	0.7
313.14325	2.0
315.12384	1.4
328.13235	1.9
329.13696	0.7
331.17755	3.6
343.15503	3.4
346.14172	7.5
347.14865	1.4
361.16531	67.7
362.16772	4.9
391.22980	1.3
460.19043	0.8
463.21753	8.0
510.24289	0.8
523.14691	17.0
523.21698	100.0
524.15216	1.2
524.22131	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	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03439	0.7
58.00587	0.6
59.01378	11.6
61.98825	0.5
69.03461	2.1
71.01379	10.4
72.99287	0.9
73.02947	6.2
79.95734	0.6
80.96525	1.6
82.25736	0.4
83.01412	1.1
85.02941	6.9
87.00880	1.9
89.02444	3.2
93.03459	1.6
94.98140	0.5
95.01413	0.6
95.05007	0.5
99.00878	1.3
101.02445	5.3
102.98562	1.8
108.02163	1.1
109.02945	0.7
113.02445	3.5
119.03544	0.5
121.02942	5.2
122.03764	4.6
122.48274	0.4
123.04530	0.9
125.02423	1.2
126.03251	0.4
131.03513	0.8
132.02177	2.3
133.02950	21.7
134.03754	2.2
135.04501	1.3
143.03477	0.7
145.02963	0.6
147.04515	1.3
149.02434	38.2
149.04381	1.0
149.06047	2.9
150.03220	35.9
151.03609	0.7
161.02454	0.5
161.04507	2.7
161.05827	0.5
164.04785	9.7
165.05557	26.9
166.06331	4.7
167.07124	2.4
169.01453	0.8
177.05537	0.6
179.10843	0.5
180.04276	1.7
181.08698	6.0
195.06607	10.0
195.08315	0.7
196.06902	0.4
209.11771	3.6
217.14384	0.5
227.12682	0.6
253.08957	0.6
258.30713	0.5
270.08835	0.8
273.63696	0.4
283.09756	1.5
312.12164	1.4
313.05667	0.8
313.12769	1.2
314.11539	4.7
315.12302	2.4
327.14447	17.4
328.14597	0.8
329.13916	10.2
330.13986	0.5
331.17581	6.4
343.15460	0.7
348.80569	0.4
409.42670	0.5
460.17102	1.2
463.21820	11.7
464.21936	1.1
475.19687	100.0
476.20038	8.5
487.19604	0.4
505.20700	0.5
522.27594	0.5
523.14594	3.2
523.21930	11.2
524.22296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.3
61.98820	69.4
66.98832	9.9
68.94942	8.2
99.02119	8.0
150.05479	8.6
172.35085	8.1
459.34753	35.8
487.34067	68.2
523.31836	100.0
524.32965	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	39.1
69.30563	17.6
69.30984	14.6
84.45105	3.9
115.02211	3.6
132.85162	3.8
139.78720	3.8
187.04010	4.5
271.05789	4.2
346.54721	4.4
439.32385	6.0
469.33212	7.1
487.34277	100.0
488.34702	6.8
523.31744	74.8
524.32263	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	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68412	0.2
53.93187	0.2
54.86675	0.2
55.01874	2.5
57.03443	3.4
58.00572	0.8
58.10281	0.2
59.01377	11.5
61.98812	0.6
68.52224	0.2
69.03439	0.8
69.44701	1.5
71.01378	17.4
72.01698	0.2
72.99312	1.1
73.02940	7.8
75.00873	1.2
80.96492	0.3
83.01382	5.1
84.02152	0.2
85.02945	11.2
86.00092	0.7
86.03238	0.2
87.00869	1.6
87.04492	1.0
89.02439	1.7
95.01398	1.7
96.96003	1.0
97.02924	0.5
97.06566	0.3
99.00880	2.6
101.02434	15.5
102.02785	0.3
109.02938	0.3
109.06604	0.4
111.00879	3.4
113.02442	6.6
113.16055	0.2
116.92843	0.3
117.03447	2.6
118.03778	0.4
119.03543	0.3
119.05011	0.9
121.02961	0.4
123.04465	0.3
123.08115	0.6
125.02409	1.0
125.09793	0.2
129.01939	0.9
131.03534	0.4
135.04521	0.3
135.08159	0.3
137.02426	0.3
137.09694	0.3
141.01956	0.2
141.09261	0.3
141.12862	0.8
143.03473	0.5
143.10742	0.3
145.02951	6.9
146.03273	1.6
151.00320	0.4
153.01877	0.3
153.09230	0.4
155.10815	0.5
157.12314	0.5
159.02983	1.5
161.04596	2.0
163.03987	1.0
169.01366	0.6
169.12267	0.5
171.13881	0.9
173.11719	0.4
179.03485	0.4
187.13368	1.3
200.14145	0.4
201.14894	1.7
209.08177	0.3
214.02699	0.2
217.14363	0.5
227.03456	0.6
230.05502	0.3
255.02867	1.1
256.03418	0.5
257.04538	0.6
284.03033	0.5
285.04007	8.0
286.04361	3.9
287.04498	0.5
315.25443	1.0
343.28506	0.3
348.10257	0.2
359.28091	2.0
361.29535	13.4
362.29840	0.5
479.19449	0.3
492.62781	0.4
501.63342	0.8
502.13321	0.4
522.63708	0.6
523.34778	100.0
524.35083	7.8
538.64746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13686	0.6
55.01860	1.1
57.03445	0.9
59.01093	1.0
59.01371	10.7
61.98827	4.9
68.32286	0.6
69.03458	0.8
69.34894	2.7
69.35316	3.0
71.01375	18.8
73.02940	5.2
75.00851	0.7
79.95724	3.0
80.49431	0.7
80.96529	1.5
83.01378	2.7
85.02942	8.8
87.00869	1.8
88.98793	1.8
89.02444	7.6
95.01384	2.5
96.95999	3.2
97.02963	0.8
99.00871	2.2
101.02431	13.1
107.01364	0.9
109.02931	1.2
113.02443	8.7
116.05055	28.6
117.05354	0.8
119.03545	1.7
120.99656	1.3
121.02937	2.6
123.00880	12.7
123.04517	0.9
124.01655	30.0
125.02453	3.5
138.03224	4.9
139.00333	0.7
139.02916	1.1
139.03998	20.0
140.04347	0.9
143.03482	1.1
145.02937	2.6
149.04529	3.0
151.00470	1.2
158.06102	0.9
159.03119	0.9
160.04025	41.2
161.02451	0.7
161.04521	4.0
163.04021	0.8
166.06335	4.4
169.01353	1.0
170.06068	1.1
170.33823	0.7
181.05112	1.5
181.08667	2.9
191.05574	1.2
202.05103	1.4
211.02458	0.8
225.02373	0.9
241.00294	0.7
255.03065	0.7
269.27209	0.7
271.04703	0.8
293.08878	0.7
300.17603	0.6
301.03448	1.6
304.08246	26.8
305.08475	1.0
331.17651	1.0
333.18985	1.2
344.14310	0.8
381.04898	1.3
444.12955	18.9
444.20416	1.3
445.13324	1.0
463.21884	4.7
464.21863	4.8
523.33972	0.8
524.08643	100.0
524.16431	8.0
525.08972	8.2
525.16748	2.3
525.24084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2467
Annotation	Kosamol A
Peak:m/z	Relative Intensity
59.01381	16.3
61.98817	5.3
69.31745	22.9
71.01363	3.4
72.88698	2.7
79.95702	4.6
91.23138	2.8
96.96001	10.6
97.97725	2.5
98.20646	5.9
101.02399	6.4
101.06073	4.4
109.27927	2.5
162.95529	2.8
169.12300	5.2
209.11795	5.3
232.62415	2.9
307.60538	2.7
331.10617	2.7
405.34940	2.6
416.36420	3.0
487.25073	5.5
525.24768	100.0
526.24976	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	525.2467
Annotation	Kosamol A
Peak:m/z	Relative Intensity
52.49313	1.8
54.61092	1.9
59.01378	11.3
61.98826	5.9
70.88322	4.4
70.88647	2.8
71.01369	10.2
73.02936	6.8
75.00867	4.8
75.37041	2.1
85.02930	4.9
86.20804	2.0
89.02448	3.2
96.95997	4.6
101.02450	11.6
113.02431	4.0
123.00878	2.1
125.02390	2.3
148.27180	2.1
161.04456	4.4
243.06535	4.5
357.22766	8.4
489.26996	66.2
490.26855	4.6
525.24689	100.0
526.25110	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	525.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49245	1.0
53.50620	1.5
55.01886	3.1
57.03450	3.4
59.01377	69.6
61.98820	3.6
69.03430	1.3
71.01376	56.1
71.61568	1.2
72.99310	2.5
73.02939	18.7
74.99095	4.1
75.00880	2.8
77.14188	1.2
82.02988	5.1
83.01373	7.6
84.32596	1.0
84.90755	1.2
85.02944	29.0
87.00883	4.1
89.02438	17.7
93.03439	2.0
93.16234	1.1
95.01377	6.0
96.96014	4.7
97.02968	2.9
99.00885	9.0
101.02430	39.9
102.98570	1.4
109.02962	1.9
109.05099	1.0
111.00877	1.4
113.02441	27.4
117.03472	1.3
119.03501	5.3
121.02957	3.4
122.03758	4.7
123.00835	2.7
123.04530	3.4
125.02436	11.0
131.03487	25.0
134.03749	13.2
135.04520	5.1
136.99106	2.5
137.02432	3.7
139.00421	2.0
139.04016	1.8
143.03514	2.9
145.02953	1.5
146.03775	7.7
147.46663	1.1
149.02432	1.6
149.04781	1.6
149.06068	21.7
150.03218	5.2
151.03963	4.1
155.10771	3.9
159.03038	6.7
159.04329	1.3
161.02486	2.8
161.04565	31.4
161.06065	4.4
163.00369	3.4
163.04033	2.2
164.03511	2.2
164.04796	3.8
165.01863	1.3
165.05554	15.5
166.06364	4.8
167.07111	48.0
169.01341	6.3
175.03992	2.2
177.04030	2.8
177.05495	1.4
179.05626	0.8
179.07120	20.9
181.05112	1.5
187.03989	1.3
189.01820	1.5
191.03317	1.5
191.05576	1.5
195.06612	1.8
196.05968	1.4
199.09770	2.0
201.01842	1.4
211.02553	2.0
216.22864	1.2
216.31631	1.0
221.08223	2.8
229.01396	2.2
230.92223	1.1
231.02927	1.8
231.07872	1.9
249.04089	2.4
257.00815	1.8
258.01712	1.6
262.07208	2.3
270.07761	1.5
275.02008	7.7
287.10330	5.4
291.09943	2.8
300.99878	11.1
301.02963	1.6
313.08322	3.2
315.12375	14.5
327.12311	3.1
333.19153	100.0
334.19211	2.3
345.10364	2.7
345.13892	2.5
363.14896	5.7
377.14163	1.7
377.18192	3.2
465.23462	82.0
466.23602	5.4
482.26920	1.5
489.20139	1.7
525.16956	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	525.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03436	1.8
58.00590	1.5
59.01376	29.0
61.98816	2.0
63.67311	0.7
69.37193	1.7
69.37594	4.2
71.01376	47.4
72.99301	1.3
73.02546	1.0
73.02941	15.0
74.99081	1.9
75.00854	2.1
80.57107	0.6
83.01382	5.5
85.02946	18.6
87.00866	2.6
89.02446	13.7
95.01369	3.4
96.96000	3.0
97.02968	1.1
99.00887	5.8
101.02436	32.9
113.02441	21.9
119.03474	3.3
120.99642	1.0
121.02948	1.0
122.03712	1.2
123.00889	1.4
124.01612	1.1
125.02414	2.7
129.01988	0.7
131.03491	1.7
134.03700	1.0
135.04517	1.1
136.99162	1.3
137.02435	1.7
139.03983	1.3
143.03470	2.3
146.03722	2.6
147.04424	1.0
149.04587	1.3
149.06064	2.6
158.39142	0.7
159.02977	4.3
161.04553	23.0
161.05899	1.1
162.03227	0.7
162.04735	1.1
164.04762	1.1
165.05565	2.6
166.06281	1.5
167.07094	5.6
169.01382	1.0
171.10266	0.9
177.05582	0.7
179.07129	5.8
180.04300	0.9
181.05074	0.6
183.06577	1.0
195.06607	0.9
243.90749	0.7
243.96710	0.8
264.44525	0.7
271.04541	0.8
326.08444	0.7
327.12958	0.6
333.19153	58.1
334.19431	2.7
352.05768	0.8
377.18210	1.6
451.12415	1.4
465.23340	100.0
466.23547	5.0
477.13913	1.4
525.16193	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	525.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
58.00576	2.3
59.01378	100.0
59.35504	0.9
60.01688	1.1
61.98825	7.4
71.01381	39.4
71.36367	1.0
71.36716	0.9
72.99293	3.3
73.02948	4.9
83.01379	1.6
85.02945	8.2
87.00854	2.6
89.02444	63.5
89.55331	1.0
93.03467	1.3
93.47421	1.3
95.01358	1.1
96.96005	13.0
99.00867	3.8
101.02442	29.7
102.98607	1.1
103.03074	1.0
113.02445	14.8
119.03512	12.7
125.02438	3.1
129.01955	1.4
131.03508	37.3
137.02444	1.8
143.03471	5.0
149.04547	42.0
150.03160	1.1
151.00662	1.2
155.10767	3.3
157.56030	0.9
161.04509	5.0
161.94475	1.0
169.01427	1.5
179.05614	20.9
191.03972	2.0
191.05597	23.3
211.02412	1.3
221.06660	2.3
221.42291	1.0
251.07640	4.3
271.04678	2.2
272.04642	1.5
273.05014	1.6
281.08878	1.5
283.67941	1.2
311.09872	1.8
333.19128	14.2
465.23294	22.3
477.13956	1.7
525.14832	5.2
525.22083	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	525.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
58.00576	2.3
59.01378	100.0
59.35504	0.9
60.01688	1.1
61.98825	7.4
71.01381	39.4
71.36367	1.0
71.36716	0.9
72.99293	3.3
73.02948	4.9
83.01379	1.6
85.02945	8.2
87.00854	2.6
89.02444	63.5
89.55331	1.0
93.03467	1.3
93.47421	1.3
95.01358	1.1
96.96005	13.0
99.00867	3.8
101.02442	29.7
102.98607	1.1
103.03074	1.0
113.02445	14.8
119.03512	12.7
125.02438	3.1
129.01955	1.4
131.03508	37.3
137.02444	1.8
143.03471	5.0
149.04547	42.0
150.03160	1.1
151.00662	1.2
155.10767	3.3
157.56030	0.9
161.04509	5.0
161.94475	1.0
169.01427	1.5
179.05614	20.9
191.03972	2.0
191.05597	23.3
211.02412	1.3
221.06660	2.3
221.42291	1.0
251.07640	4.3
271.04678	2.2
272.04642	1.5
273.05014	1.6
281.08878	1.5
283.67941	1.2
311.09872	1.8
333.19128	14.2
465.23294	22.3
477.13956	1.7
525.14832	5.2
525.22083	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	525.2701
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
52.87753	0.6
57.03452	1.1
59.01369	1.8
61.98777	0.7
62.88107	0.6
69.03457	7.2
71.01392	2.0
71.05012	2.3
71.60379	1.0
73.02950	0.7
78.49815	0.6
80.02667	1.3
81.03446	2.5
83.01381	2.2
83.05019	5.7
84.02168	1.7
95.05010	2.5
97.02977	0.8
97.06590	1.6
107.06728	0.7
111.08134	0.7
114.68822	0.6
123.08129	2.2
125.06030	0.7
125.09731	5.4
135.08142	1.4
149.09659	0.7
151.11275	5.2
153.12859	1.6
161.09706	7.1
163.11279	5.6
165.12833	2.4
167.03474	1.4
179.10762	26.8
180.11145	0.8
185.11813	1.8
191.10753	1.7
197.11818	82.6
198.12123	3.4
209.11812	67.0
210.12122	1.8
223.09712	4.3
225.11424	0.6
227.12837	7.6
241.10800	10.5
297.13370	6.0
315.14435	17.1
316.14835	1.1
356.61133	0.7
389.23328	0.9
445.26126	0.9
463.26999	1.1
489.32385	0.8
507.25977	1.7
525.26990	100.0
526.27283	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	525.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71088	6.2
57.06287	7.2
61.98830	14.4
69.40018	49.8
74.39256	8.0
98.45828	8.2
102.43705	7.1
106.30368	8.0
117.34887	7.2
140.79880	7.5
152.64474	7.4
185.71712	8.7
207.17506	27.8
228.41035	6.8
237.18498	36.5
309.79749	8.9
381.97269	7.1
415.73856	7.5
473.36447	100.0
489.35556	9.9
525.32855	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41969	10.5
61.98817	13.2
71.51794	16.8
74.02061	12.3
85.73129	10.2
93.99218	10.5
95.98213	10.0
205.15944	11.7
207.17523	19.2
219.17654	24.2
237.18507	37.5
247.22910	14.0
279.43430	12.2
403.62930	11.1
473.36203	100.0
489.35739	18.6
525.33514	37.6
525.41339	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	526.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30931	0.4
53.73104	0.5
54.03784	0.5
55.28688	0.4
59.01371	4.3
61.98824	42.1
65.00317	0.9
69.51257	3.5
71.01376	3.3
73.02947	1.3
79.95708	0.7
80.96519	1.0
83.01379	1.0
83.96751	0.5
85.02937	1.2
85.31364	0.5
87.00833	0.9
89.02435	4.0
96.96004	1.9
98.19857	0.5
101.02454	2.4
107.01385	2.0
108.02165	1.3
109.02961	0.5
113.02409	0.9
121.02932	1.5
123.00905	1.1
124.01603	0.6
125.02433	1.6
131.03464	0.9
132.99588	0.5
149.04518	2.6
151.00368	9.5
151.83426	0.5
152.78453	0.5
163.00348	1.6
169.01375	2.2
178.99823	3.3
180.73412	0.5
191.05569	0.9
216.82349	0.5
226.02722	1.3
227.03491	1.6
229.04973	0.6
243.02953	6.4
244.03676	0.6
245.04323	0.7
248.23781	0.6
254.02167	1.7
255.02960	18.0
256.03394	0.6
271.02432	38.2
272.02982	3.1
273.04056	0.7
283.02380	0.8
299.01981	0.7
300.02710	81.8
301.03442	29.7
302.03912	1.2
316.02057	0.9
333.18796	0.5
406.06326	0.5
463.08755	100.0
464.09030	6.7
465.23419	2.3
466.23599	1.7
525.23297	4.5
525.29700	0.6
526.23810	7.7
527.18042	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	527.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05344	0.5
58.23792	0.5
59.01373	3.9
61.98827	6.3
67.01878	1.4
69.03445	0.7
69.76392	1.7
69.76798	0.9
71.01390	4.9
72.99312	0.8
73.02920	1.4
74.62204	0.5
78.91864	0.9
79.01882	0.9
82.95401	1.3
83.01381	1.5
85.02932	1.7
87.00858	2.4
89.02432	1.4
95.01375	3.2
96.69769	0.5
96.96007	6.7
97.02945	1.1
99.00861	0.7
101.02437	2.2
107.01392	7.6
108.02151	1.1
109.02916	1.2
111.00875	4.5
113.02442	1.7
121.02964	1.1
122.03762	1.1
123.00886	13.9
123.04520	2.9
124.01650	2.2
125.02443	36.3
126.02769	0.7
127.00321	1.6
136.98758	3.2
137.02426	2.2
138.03275	0.7
139.00354	7.9
139.03986	1.5
140.01135	4.4
141.01889	2.0
145.02934	1.0
147.04535	0.5
149.02435	4.3
150.03212	16.1
151.00351	10.9
151.03979	3.4
153.01875	1.4
161.02377	1.9
162.03186	1.3
163.03941	1.7
164.04791	2.1
165.01932	1.2
165.05565	12.2
166.99834	0.6
167.03436	0.8
168.00638	10.0
169.01411	57.3
170.01674	1.1
179.03424	1.2
180.04193	0.7
181.01395	0.6
181.04965	0.9
183.02992	6.8
195.03035	0.6
195.06540	1.7
205.05231	0.8
207.02907	0.6
210.01686	1.1
211.02449	5.5
223.02637	0.6
225.04027	5.5
229.01364	0.7
230.29431	0.5
231.02849	0.7
241.03484	0.9
249.03891	0.7
253.03487	1.2
271.04623	2.9
275.01929	2.3
285.06244	6.4
289.07162	0.8
297.06107	2.6
300.99847	6.3
302.00140	1.3
303.04922	1.4
313.05627	18.2
314.06012	1.0
327.07150	1.9
373.07654	2.3
382.02475	0.8
385.07660	7.8
403.08743	1.3
421.04120	0.7
479.11914	38.9
480.12466	3.0
491.11923	1.3
509.12891	12.2
510.12814	0.7
527.13989	100.0
528.14319	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	527.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62470	0.8
55.01883	1.0
56.04449	1.0
59.01371	3.4
61.98844	1.4
63.25292	0.8
65.54957	0.9
66.02760	0.8
67.01869	1.4
69.96667	4.5
71.01379	3.0
74.26717	0.9
79.01929	1.3
83.01382	1.3
85.02929	2.4
87.00911	2.2
95.01402	1.9
96.96010	15.3
97.02919	1.1
97.58743	0.8
98.19878	1.1
101.02408	2.8
107.01382	8.6
108.02208	1.1
111.00896	4.2
113.02453	2.6
119.05054	0.9
121.02917	1.0
123.00876	14.9
123.04523	2.1
124.01659	2.7
125.02440	40.6
126.02754	1.2
127.00375	1.7
132.29820	0.9
136.98807	1.7
137.02440	1.8
139.00365	7.6
139.03976	1.5
140.01157	5.6
141.01967	1.9
145.02980	1.5
149.02405	3.2
150.03230	21.2
151.00339	11.9
151.03958	3.7
153.01881	1.7
161.02380	1.3
161.04500	0.9
162.03214	1.4
163.03979	1.8
164.04776	2.1
165.05550	13.3
166.99817	0.8
168.00620	10.2
169.01418	63.7
170.01701	2.0
173.02469	0.9
179.03436	1.4
180.04150	1.5
183.02948	6.9
195.06529	1.8
196.87755	1.0
209.58829	0.9
210.01736	1.7
211.02423	5.3
223.02396	1.2
225.04047	6.1
241.03474	1.6
252.82227	1.0
253.03572	1.7
271.04541	3.3
285.06177	10.8
297.06076	2.6
300.99881	3.7
313.05603	17.7
327.07092	1.7
345.07980	0.9
373.07828	1.9
385.07733	7.4
407.17511	0.9
467.21582	1.0
479.11926	62.7
480.12173	4.9
491.11545	1.2
509.13007	12.9
510.13000	1.1
527.13995	100.0
528.14392	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	527.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76326	0.9
53.76577	1.0
54.01117	0.9
55.01869	1.3
57.03449	2.2
59.01376	37.7
61.98826	35.6
67.01908	1.0
69.03436	1.0
69.46107	7.0
71.01377	25.1
72.99313	2.5
73.02947	5.3
74.99082	3.9
75.00844	1.5
79.01897	1.3
79.95738	9.3
81.03413	1.2
82.95384	1.4
83.01362	3.7
85.02941	8.5
87.00859	3.1
89.02452	17.6
93.03445	1.8
95.01368	4.5
96.96001	14.2
99.00883	2.3
99.04495	1.2
101.02440	19.6
103.00340	1.1
107.01369	5.6
109.02935	1.4
111.00821	3.3
113.01851	0.8
113.02456	9.8
113.06164	1.1
119.03518	7.3
120.99648	15.3
121.02950	1.3
122.00051	0.9
123.00878	12.6
123.04482	2.1
124.01614	1.8
125.02438	23.6
131.03462	2.9
133.02956	1.3
135.04536	2.3
136.99043	4.5
137.02405	2.7
139.00381	5.8
140.01135	3.1
141.01952	1.1
149.04539	1.5
151.00378	8.8
151.03983	2.3
153.01952	1.1
161.02473	1.8
161.04477	1.7
165.05557	2.0
167.03470	1.4
168.00673	6.7
169.01421	31.6
175.54457	0.9
177.09135	1.7
179.03583	1.2
179.05540	1.6
187.07597	1.1
196.47765	3.6
203.98930	3.8
211.02475	18.7
243.96674	4.9
244.46994	2.3
271.04559	28.7
275.01871	3.3
284.03156	1.3
285.03989	15.3
300.99884	19.3
301.03250	1.0
302.00031	1.3
313.00006	1.8
313.05750	1.2
328.02213	1.4
331.06854	3.7
335.17068	1.8
335.20682	4.8
357.15408	2.1
364.99762	1.6
375.12125	1.9
375.16602	22.1
376.16931	1.1
407.19247	2.2
425.20358	1.1
447.09106	2.4
467.24512	2.1
483.18658	27.4
484.19098	1.3
491.15787	2.1
509.16605	24.2
527.04706	4.5
527.17615	100.0
528.17969	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	527.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01098	2.9
59.01377	39.0
60.36152	1.5
61.98828	14.8
68.36893	1.3
71.01375	39.0
72.99301	3.4
73.02937	15.2
75.00829	1.7
83.01372	5.0
85.02947	19.8
87.00876	2.3
89.02441	13.0
95.01403	3.2
96.96003	6.2
97.02935	1.8
99.00872	6.6
101.02434	32.7
101.46565	1.5
110.72372	1.4
111.86560	1.5
113.02435	15.2
113.45779	1.4
113.57491	1.4
119.64342	1.6
125.02444	5.2
131.03499	4.7
137.02437	2.5
143.03468	1.8
149.04504	2.3
155.10776	3.1
159.02954	3.1
161.04541	17.0
165.09221	1.5
209.08145	4.3
261.47119	1.7
300.99991	1.6
329.17480	2.3
335.20721	100.0
336.21115	3.1
467.24911	29.8
527.21570	6.6
527.74286	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	527.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67177	0.5
55.12943	0.7
59.01384	6.8
61.98811	1.6
69.88634	3.2
74.93678	0.6
77.64146	0.6
84.68475	0.5
96.96088	0.6
98.19989	1.2
125.09661	0.9
187.09688	0.8
219.50780	0.7
277.21622	0.9
299.99176	0.7
313.23532	0.7
382.62451	0.6
393.27628	1.8
407.29190	2.4
409.30859	2.2
421.30789	1.7
423.32660	62.2
424.33029	3.7
425.34045	1.4
469.33188	32.4
469.39841	1.6
470.33344	2.1
481.33514	3.8
482.33310	0.6
489.35873	0.7
491.33002	0.7
527.28705	100.0
528.29089	7.6
528.62402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.7
60.99292	1.4
69.98450	1.1
69.98849	0.6
92.01228	0.3
97.06595	0.4
102.92031	0.3
109.92461	0.3
117.97945	0.3
127.70206	0.3
134.15445	0.3
145.33353	0.3
191.14456	0.9
238.10980	0.3
405.31680	0.6
407.33243	1.0
433.31039	0.5
437.30722	0.3
441.33734	8.0
441.39777	0.4
449.28076	0.6
449.34213	9.2
450.34445	0.4
451.32025	0.8
465.30197	1.1
479.31598	0.5
481.32443	0.6
483.34775	12.4
484.35190	0.8
495.34756	100.0
496.35159	7.6
527.37653	9.9
528.37427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49003	0.6
53.91461	0.5
59.01375	2.6
61.98818	1.4
63.18335	0.5
69.33318	4.7
71.05032	0.6
87.33251	0.5
97.06590	3.2
123.08157	0.8
125.09729	3.5
187.09738	1.8
331.24759	1.0
341.56601	0.6
364.07922	0.6
389.28577	0.9
391.30057	4.6
392.30206	0.7
405.31509	4.2
407.33215	5.8
423.28787	0.8
439.32568	1.0
441.33743	1.3
451.32123	7.4
452.32214	0.7
453.33728	32.9
454.33908	2.6
471.34802	4.4
483.33374	0.7
497.32281	0.6
501.34457	4.4
529.30591	100.0
530.30817	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	529.3534
Annotation	Rubianol b
Peak:m/z	Relative Intensity
50.43740	0.6
50.93871	0.6
54.25489	0.5
59.01380	15.5
60.43179	0.5
61.98812	0.9
64.74392	0.6
68.99584	0.5
71.58031	1.1
76.18752	0.5
82.94862	0.6
96.96003	0.6
112.98541	0.8
132.72517	0.6
159.14410	0.6
205.15944	7.5
217.16026	0.7
249.14989	2.0
251.16551	3.5
408.13254	0.7
467.35367	11.8
468.35443	0.8
469.33139	2.3
476.99429	0.6
483.34821	3.0
499.34250	2.5
511.34454	1.3
529.35321	100.0
530.35767	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	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70216	0.9
59.01377	42.0
60.99296	2.0
71.59791	1.1
163.11247	0.9
441.33612	5.7
449.34286	9.7
451.32285	2.5
467.34567	1.0
483.28363	1.3
483.34842	19.5
484.34848	1.5
495.34766	100.0
496.35147	8.8
527.34131	1.3
529.34723	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	530.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06712	0.5
59.01379	3.6
61.98827	7.6
62.43801	0.5
67.01899	0.6
70.96385	1.3
71.01372	4.0
72.99309	0.7
73.02935	1.2
79.95721	0.7
83.01373	0.6
85.02933	1.5
87.00891	0.9
88.98780	0.6
89.02435	1.3
95.01409	0.6
96.96017	8.3
97.02921	0.8
99.00879	0.9
101.02435	2.5
107.01385	3.2
111.00880	0.8
113.02474	1.4
120.60303	0.7
123.00873	4.7
123.04519	29.2
123.91023	0.6
124.04871	1.1
125.02442	25.0
138.05557	0.6
139.00366	2.4
140.01109	1.4
140.14253	0.7
141.01891	0.5
145.02950	1.0
146.03201	0.6
151.00391	4.5
153.05565	39.8
161.04515	0.8
168.00644	2.1
169.01413	40.2
170.01721	0.9
203.37033	0.7
223.02444	0.6
234.35123	0.6
241.03467	1.0
313.05634	21.3
314.05954	0.6
360.85760	0.5
467.11917	100.0
468.12280	5.9
469.23071	2.2
470.23523	2.7
530.27386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47605	0.6
55.23231	0.8
59.01376	5.2
60.25224	0.6
61.98825	4.8
66.56458	0.6
70.32121	0.8
71.13940	1.1
71.14284	1.0
78.95899	18.4
80.96532	1.8
87.77302	0.8
132.81999	0.7
152.99571	3.4
168.04318	3.0
224.06956	8.8
226.48476	0.7
242.07924	1.8
255.23276	100.0
256.23679	4.8
480.30911	77.8
481.31470	5.6
512.22656	0.7
520.72430	2.9
530.30627	2.0
535.25330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.31845	0.1
59.01370	2.4
59.61779	0.1
61.98823	1.4
65.78280	0.1
69.19141	0.1
71.01369	1.5
71.01721	0.2
71.59241	0.2
73.02944	0.4
79.95731	3.5
82.95411	0.2
83.01366	0.3
85.02953	0.6
87.00893	0.4
87.04567	0.2
88.98815	0.2
89.02457	1.0
93.03465	0.2
95.01399	0.3
96.96007	100.0
99.00890	0.2
99.04513	0.2
101.02429	0.9
103.03962	0.2
111.00840	0.2
113.02444	0.9
119.03531	0.2
120.99661	0.2
123.04547	0.2
125.02445	1.6
131.03494	0.2
135.04372	0.1
135.08124	0.2
137.02449	0.4
143.03476	0.2
145.02936	0.3
151.00368	0.3
151.03987	0.2
161.04533	0.3
169.01410	2.3
174.01642	0.2
179.05617	0.7
214.02695	0.2
221.06567	0.3
227.03369	0.2
239.03381	0.2
240.04372	0.3
241.00169	0.2
241.08720	0.3
243.96825	0.3
268.07465	0.4
269.08215	0.6
271.02405	0.3
285.03973	0.3
295.06137	0.2
297.07648	1.2
299.02060	0.2
300.02756	0.3
307.05927	0.2
323.05688	0.2
325.07126	2.5
351.05103	1.5
361.02164	0.3
369.06314	1.1
369.35245	0.1
411.07355	0.3
433.07758	0.4
450.11789	0.3
495.19055	0.3
531.04260	2.0
531.11493	5.9
531.20630	0.9
531.31494	0.4
532.11841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55482	0.2
53.64055	0.2
59.01373	0.7
71.01373	0.8
71.59930	0.3
78.95890	1.9
79.95732	3.1
82.95437	0.2
88.92850	0.2
96.96004	100.0
96.96886	4.0
113.02438	0.3
136.96999	0.2
145.02931	0.3
150.03239	0.5
156.53403	0.2
163.30396	0.3
165.05539	1.0
169.01405	0.3
177.23268	0.3
191.05544	0.3
210.62529	0.2
216.54541	0.2
217.03702	0.3
225.45287	0.3
300.99817	0.3
309.26379	0.2
381.23239	0.3
449.12823	0.4
531.09827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Rubianol d
Peak:m/z	Relative Intensity
58.00585	0.4
59.01377	13.1
61.98815	0.5
71.36663	0.5
85.02944	0.5
87.04504	0.3
126.12608	0.3
130.71216	0.3
139.11304	0.5
147.11755	0.4
151.11279	0.6
165.09193	0.8
177.12747	0.4
189.12856	0.7
191.14404	2.6
193.15945	3.1
203.14456	1.9
205.15948	13.2
206.16307	0.6
217.15895	0.7
219.13875	0.6
221.15450	2.4
223.17024	8.2
224.17447	0.3
235.17000	1.0
241.00362	0.3
253.15399	0.6
253.18062	12.7
254.18452	0.3
277.17984	1.7
279.19424	0.3
307.19052	0.5
319.19165	0.5
365.13199	0.3
391.26364	0.5
407.25793	0.6
451.28372	1.9
452.28949	0.7
453.33881	0.5
465.33868	0.9
467.27820	0.6
471.34741	0.6
482.30344	15.1
483.36057	2.5
485.36093	0.4
487.38013	0.4
497.32736	2.1
501.36050	0.5
513.35834	37.9
514.36285	3.7
529.35474	0.5
531.36853	100.0
532.37207	9.3
532.44904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Rubianol d
Peak:m/z	Relative Intensity
59.01376	100.0
60.01716	0.6
61.98832	0.2
62.79458	0.1
69.34211	0.8
69.34638	0.6
74.29865	0.1
108.05688	0.2
146.49725	0.2
304.15054	0.2
404.70148	0.2
465.12964	0.2
471.35336	0.3
491.15393	0.2
531.37207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Rubianol d
Peak:m/z	Relative Intensity
59.01375	27.9
61.98825	1.6
67.35390	0.5
131.50967	0.6
135.78294	0.5
155.60988	0.6
165.22176	0.6
202.50372	0.5
207.17529	1.5
219.17487	0.8
225.78606	0.5
259.16852	1.0
319.19220	2.2
335.22122	1.6
393.32257	1.0
411.32660	2.7
426.68668	0.6
427.35703	0.7
437.30283	0.7
453.33813	1.9
471.34711	14.2
472.35162	1.5
487.37808	1.5
531.36865	100.0
532.37195	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	531.3686
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
51.00398	0.5
57.03444	0.6
59.01377	87.7
61.98821	1.0
65.76957	0.5
69.44818	4.3
70.34774	0.5
80.96522	0.7
90.30136	0.5
97.94334	0.6
123.67628	0.5
183.52991	0.6
199.61818	0.6
205.15968	1.8
207.17538	14.1
208.17850	0.8
223.16969	0.6
235.17041	0.7
247.57091	0.6
251.16548	0.9
253.18120	0.6
261.14923	1.9
263.16373	0.8
390.80042	0.5
425.34048	0.8
427.35385	0.7
435.32666	0.7
436.29715	6.8
437.30328	2.7
438.31406	2.4
439.31665	0.7
453.33688	9.3
454.34192	1.3
455.90091	0.7
471.34747	100.0
472.35120	9.4
473.36502	0.9
504.42090	0.6
531.31934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
57.07572	0.7
59.01107	1.1
59.01376	13.6
61.98827	22.1
71.01375	29.0
71.05012	4.1
71.58428	0.9
71.58846	1.1
72.99316	0.9
73.02928	1.9
74.99057	0.9
83.01376	1.8
85.02946	4.1
87.00861	2.1
88.04047	4.0
88.98789	0.9
89.02435	9.2
93.03423	0.9
95.01385	1.2
96.96002	9.6
97.02971	1.1
99.04501	2.2
101.02449	6.7
107.01376	2.5
111.00854	0.9
113.02438	5.3
115.00356	1.2
116.03525	1.1
116.07137	1.2
119.03487	2.7
120.01215	1.5
121.02945	1.6
123.00869	5.3
123.04558	1.0
125.01640	0.9
125.02444	9.6
128.07181	1.6
129.01903	1.0
131.03482	1.3
132.03049	0.7
137.02463	1.0
139.00354	1.0
143.03409	1.1
146.08218	48.0
147.08517	0.9
149.04532	1.4
150.03064	0.8
151.00348	3.0
151.03938	0.8
153.01932	0.9
161.04544	3.3
165.05473	1.1
168.00612	2.1
169.01419	9.4
174.11215	0.9
191.05452	1.0
198.02290	0.8
200.09262	1.6
211.02531	1.0
218.10289	1.0
225.07597	5.0
263.11133	1.0
267.37292	0.8
271.04611	1.2
289.07138	1.0
300.99628	1.1
308.13419	8.5
313.05527	1.1
362.14423	1.9
371.13358	2.0
380.15567	51.0
381.16003	2.1
415.12350	1.6
451.11658	1.9
460.14548	5.1
460.20071	0.9
469.13193	2.0
514.15649	2.2
532.16644	100.0
533.08789	1.1
533.16754	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	532.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38889	0.8
59.01358	1.3
60.53260	0.7
61.50678	0.7
61.98827	100.0
71.71831	0.7
101.79908	0.7
103.37424	0.8
125.36847	0.7
144.88368	0.7
149.49522	0.8
154.41618	0.7
395.87457	0.8
468.72568	0.9
532.37671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0932
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01363	5.6
61.98818	1.4
63.02384	0.9
69.44125	5.5
71.01386	3.8
73.02937	2.3
85.02928	1.1
89.02438	2.7
93.03441	1.6
96.96008	11.1
101.02420	1.2
104.87362	0.7
107.01363	2.4
108.02180	0.7
109.02982	0.8
112.43346	0.6
113.02432	2.0
117.03461	1.2
132.02174	1.9
135.00865	1.9
135.04515	0.7
143.04958	0.8
145.02924	1.1
149.04495	0.8
151.00313	2.2
157.06580	0.8
159.04492	1.0
161.02419	0.9
163.00308	2.8
164.01109	1.1
169.06540	1.0
185.06122	2.2
187.03989	3.0
189.05617	0.9
190.99989	0.9
197.06076	1.0
199.03951	1.2
211.04004	1.9
213.05440	1.3
227.03477	27.2
228.03841	1.6
229.05051	9.0
239.03531	2.0
241.05095	2.0
255.02960	64.5
256.03604	5.9
257.04559	6.5
267.02939	1.1
276.82901	0.7
283.02271	1.1
284.03241	79.5
285.04010	100.0
286.04395	5.6
315.40189	0.8
353.10544	0.9
371.15152	1.0
489.10342	56.3
490.10449	5.5
533.20599	4.2
533.29510	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	533.1294
Annotation	LLP3
Peak:m/z	Relative Intensity
57.44135	0.8
59.01380	12.5
60.28264	0.8
61.23819	0.7
61.98821	1.9
71.01383	9.0
71.36791	1.3
73.02945	2.8
79.01910	0.8
80.48196	0.7
83.01378	1.4
85.02952	4.6
85.56815	0.7
87.00842	1.9
88.98820	1.1
89.02439	6.4
89.45311	0.7
93.03435	1.8
95.01382	1.1
96.96008	4.5
97.02967	1.3
99.00870	1.0
101.02437	6.9
103.03976	1.7
104.13897	0.9
107.01362	1.2
113.02409	3.6
116.25216	0.8
117.03421	3.5
119.03469	2.6
119.04967	1.2
120.99626	1.0
121.06593	1.1
123.00891	1.6
123.04533	1.2
125.02429	7.5
131.03529	1.1
135.04477	0.8
135.11766	1.7
137.02434	1.0
139.00369	1.2
139.03972	0.8
149.06073	0.9
150.03133	0.8
151.00343	2.0
153.01875	1.5
159.04462	0.9
161.02396	1.9
161.04520	1.3
161.09778	1.8
163.03960	1.7
163.06097	2.2
165.03975	1.1
165.07947	1.3
165.09204	15.4
168.00612	0.8
168.04277	1.8
169.01422	7.6
175.03915	1.0
177.01869	1.0
177.05603	0.7
179.05565	1.0
179.10754	6.1
203.03368	1.1
203.10745	2.3
221.11775	1.5
223.09668	6.7
245.35153	0.8
267.06927	1.2
268.07303	1.3
282.05249	1.8
283.05991	3.2
295.06091	4.4
296.06821	1.8
297.04453	0.9
297.07681	13.9
307.06223	2.4
307.10312	4.5
309.07693	2.5
311.05493	3.4
313.05600	1.1
314.96970	0.9
323.05511	3.4
325.07233	9.1
328.05658	2.4
337.07065	2.3
353.06616	27.0
354.06723	1.2
355.08176	1.0
365.06799	5.2
371.13528	1.2
383.03064	1.6
383.07684	25.2
384.07874	1.2
385.14844	2.3
395.07678	1.9
407.07700	1.1
413.08588	3.8
425.08707	2.1
443.09763	9.8
455.09982	1.2
471.61813	1.1
473.10831	5.2
497.12875	13.9
498.13226	1.5
515.11584	1.7
533.12817	100.0
534.13153	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	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79625	0.3
59.01370	1.0
59.30509	0.3
61.54689	0.3
65.57526	0.3
67.01881	0.4
69.03450	0.4
69.36935	2.4
71.01362	0.5
74.13924	0.3
81.03453	0.3
85.02946	7.7
85.45861	0.3
87.00864	1.6
93.03454	2.3
98.20158	1.3
109.02952	1.0
111.04511	1.0
112.07001	0.3
120.48523	0.3
123.03961	0.3
127.03986	2.4
171.02945	0.8
173.04521	0.8
174.22218	0.3
191.05597	100.0
192.05977	2.0
206.92928	0.3
263.74100	0.3
304.26938	0.3
406.79843	0.3
477.73538	0.3
500.31363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39942	0.2
53.57611	0.2
55.51298	0.2
57.11652	0.2
59.01366	1.1
67.01881	0.4
69.71012	0.7
69.71440	0.6
71.01364	0.6
73.02926	0.2
81.03451	0.3
83.05029	0.3
85.02944	7.5
87.00865	1.6
93.03439	2.7
99.04516	0.2
101.02536	0.3
104.43730	0.2
109.02934	0.6
111.04511	0.9
115.49500	0.2
118.86008	0.2
127.04003	2.3
129.01927	0.2
147.02936	0.3
171.02948	0.7
173.04532	1.0
191.05592	100.0
192.05917	2.5
205.11435	0.2
237.45198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
57.55702	0.8
58.00603	2.3
59.01378	44.8
61.98835	3.8
68.01486	0.9
71.01381	30.8
71.59512	1.2
72.99303	2.1
73.02946	3.3
75.00891	1.6
83.01389	2.0
85.02958	8.2
87.00880	4.3
88.98801	1.8
89.02444	31.1
89.56316	0.9
93.03460	1.2
95.01397	3.0
96.95994	8.5
99.00877	8.5
99.04563	1.2
101.02438	17.4
102.98619	4.1
103.00290	0.9
105.01960	4.2
109.02988	1.1
111.04536	1.2
113.02448	15.3
119.03497	9.2
119.04949	0.8
120.05832	3.2
120.99693	1.5
121.10249	1.1
123.08168	1.1
125.02461	2.2
125.06164	1.2
131.03447	1.5
133.10231	5.4
135.04663	0.8
135.11795	17.9
143.08714	1.1
144.64963	1.1
146.07390	3.8
147.02963	9.1
149.02518	1.5
149.04614	1.7
152.04718	1.7
153.23318	1.0
159.08192	1.8
159.11790	3.2
161.04546	3.6
161.09717	38.1
162.10086	1.8
165.04054	4.4
165.05338	0.9
175.11263	1.4
177.12871	1.7
179.05650	3.5
179.10765	88.8
180.11136	2.1
193.12328	1.3
203.10789	11.4
205.08727	1.9
218.48785	1.1
221.11810	5.8
223.09747	100.0
224.10074	2.7
251.12880	1.3
265.10818	3.2
297.07672	1.8
302.44553	1.1
309.13300	1.3
327.14462	1.5
353.06714	3.8
353.12231	4.3
371.13437	32.3
372.13818	1.5
383.07816	2.4
385.15030	18.3
473.17914	3.3
491.19589	1.2
533.18994	67.7
534.19580	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	533.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26689	1.1
50.71144	1.1
57.03448	1.4
58.00587	1.6
59.01375	37.9
61.98823	2.2
71.01375	23.7
71.27388	1.2
72.99307	2.0
73.02927	6.6
75.00890	2.0
83.01394	3.0
84.02675	1.2
85.02936	9.6
87.00881	8.3
88.98805	2.1
89.02441	21.4
96.96008	2.6
97.02972	1.4
99.00887	2.6
101.02444	12.2
103.04020	1.7
113.02444	13.8
119.03476	9.9
120.05810	3.8
131.03436	1.5
133.10207	3.8
135.04442	1.3
135.11784	17.3
143.03444	1.6
143.08678	2.1
146.07376	2.9
147.02983	4.4
149.09680	1.4
151.00366	2.0
152.04799	3.3
159.08215	2.7
159.11810	2.0
161.04576	3.7
161.09712	33.8
179.05688	2.8
179.10768	87.5
180.11084	3.0
186.96152	1.2
193.12437	1.3
203.10751	11.2
204.82021	1.2
205.08784	2.1
221.11850	4.9
223.09740	100.0
224.10114	3.0
231.25139	1.3
245.11877	1.4
265.10776	2.8
306.07736	4.9
325.07449	1.5
330.67258	1.4
353.06827	1.7
353.12457	5.9
371.13464	7.9
383.07629	1.6
385.15063	24.3
433.07297	1.6
471.11478	3.8
533.13092	4.7
533.19055	45.4
534.19324	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	533.2599
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
52.22326	0.5
55.01878	5.3
57.03440	4.9
58.00584	2.3
59.01377	47.3
61.98793	0.9
69.03454	1.4
71.01378	68.6
71.59243	0.8
72.99297	4.1
73.02938	18.3
75.00860	1.3
79.95732	0.9
81.03439	0.9
83.01382	11.7
85.02944	32.4
87.00858	5.9
87.04523	0.8
87.40704	0.6
89.02438	23.1
95.01387	5.5
96.96004	10.4
97.02947	2.7
98.95596	2.2
99.00876	9.3
101.02435	59.6
107.01342	0.6
108.45026	0.5
109.02939	0.6
111.00887	0.8
112.01661	0.6
113.02440	33.8
117.03409	0.9
119.03475	8.0
119.04980	0.6
120.99641	0.7
121.02933	2.6
125.02449	4.3
129.01926	1.2
131.03496	2.7
135.04468	1.3
137.09712	1.0
143.03528	4.8
145.02893	1.6
149.04541	1.4
149.09674	0.5
159.02977	5.4
161.04541	27.9
162.04849	0.6
163.03874	0.4
172.96606	0.5
179.05650	3.9
179.10712	3.1
181.05038	1.6
187.12900	0.5
188.76144	0.5
191.33324	0.5
192.67999	0.6
205.03447	0.9
209.15479	5.2
221.06612	2.2
223.09743	1.5
225.53775	0.7
255.02907	0.8
271.02570	0.6
300.02737	1.2
301.03448	2.4
312.99899	0.9
371.20691	67.7
372.21014	3.5
533.19141	4.7
533.25970	100.0
534.18536	1.1
534.26129	5.9
538.03156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22326	0.5
55.01878	5.3
57.03440	4.9
58.00584	2.3
59.01377	47.3
61.98793	0.9
69.03454	1.4
71.01378	68.6
71.59243	0.8
72.99297	4.1
73.02938	18.3
75.00860	1.3
79.95732	0.9
81.03439	0.9
83.01382	11.7
85.02944	32.4
87.00858	5.9
87.04523	0.8
87.40704	0.6
89.02438	23.1
95.01387	5.5
96.96004	10.4
97.02947	2.7
98.95596	2.2
99.00876	9.3
101.02435	59.6
107.01342	0.6
108.45026	0.5
109.02939	0.6
111.00887	0.8
112.01661	0.6
113.02440	33.8
117.03409	0.9
119.03475	8.0
119.04980	0.6
120.99641	0.7
121.02933	2.6
125.02449	4.3
129.01926	1.2
131.03496	2.7
135.04468	1.3
137.09712	1.0
143.03528	4.8
145.02893	1.6
149.04541	1.4
149.09674	0.5
159.02977	5.4
161.04541	27.9
162.04849	0.6
163.03874	0.4
172.96606	0.5
179.05650	3.9
179.10712	3.1
181.05038	1.6
187.12900	0.5
188.76144	0.5
191.33324	0.5
192.67999	0.6
205.03447	0.9
209.15479	5.2
221.06612	2.2
223.09743	1.5
225.53775	0.7
255.02907	0.8
271.02570	0.6
300.02737	1.2
301.03448	2.4
312.99899	0.9
371.20691	67.7
372.21014	3.5
533.19141	4.7
533.25970	100.0
534.18536	1.1
534.26129	5.9
538.03156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03445	2.6
58.00569	1.2
59.01378	19.7
61.98832	4.9
69.03408	1.3
71.01377	19.1
71.04986	1.1
72.02099	0.4
72.99275	1.4
73.02942	30.5
75.00831	1.3
79.95710	0.6
80.96489	0.5
81.03450	1.1
83.01340	1.8
83.04988	0.8
84.95123	0.7
85.02953	5.2
87.00836	1.5
87.04507	17.4
88.98749	0.6
89.02438	6.2
92.05035	0.6
93.03442	0.5
95.01337	0.9
95.04964	0.9
96.96011	4.6
97.02942	5.7
97.06565	2.4
99.00820	1.8
99.04473	1.2
101.02431	7.2
108.04510	0.5
109.02863	0.6
109.06543	0.8
111.04466	0.9
113.02448	4.6
113.06010	2.2
115.00246	0.5
115.03942	1.0
117.01897	0.5
119.03415	1.4
119.04984	0.7
120.99639	0.7
121.02857	0.6
123.04422	1.3
123.08109	1.1
125.02367	2.0
125.05984	1.8
127.07560	0.8
131.03362	0.8
133.05008	0.8
134.99274	0.5
135.08035	0.9
137.02374	1.3
137.09689	0.8
144.09674	0.5
145.02869	1.1
149.04474	0.7
149.09642	0.6
151.00256	1.0
151.11304	0.5
155.10666	1.6
159.11719	0.5
160.29623	0.4
161.04445	1.4
163.00352	0.6
163.03838	0.6
163.11250	0.7
165.09102	0.6
167.14291	0.8
168.56258	0.5
175.02328	0.5
175.03847	0.6
177.12869	2.8
179.05562	0.9
179.06999	0.7
179.14229	0.8
181.12323	2.4
189.12756	1.1
193.15793	0.7
195.13858	3.9
207.13774	1.0
209.11629	0.6
211.16924	0.6
215.14188	0.5
223.13171	0.6
233.15224	1.5
237.14809	1.0
249.06105	0.8
251.16289	1.7
255.02821	0.8
255.15982	20.1
256.16171	0.8
267.15683	0.7
269.17557	22.2
270.17807	1.0
271.02209	3.1
271.05762	1.0
297.17038	15.6
300.02823	3.3
301.03201	1.5
309.16815	0.8
353.22903	2.0
357.19287	0.6
371.19962	0.5
371.24402	3.9
452.15778	1.1
473.27158	0.6
515.28259	0.6
533.12396	2.5
533.25555	100.0
534.11078	0.5
534.19421	0.6
534.26001	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	533.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03445	2.6
58.00569	1.2
59.01378	19.7
61.98832	4.9
69.03408	1.3
71.01377	19.1
71.04986	1.1
72.02099	0.4
72.99275	1.4
73.02942	30.5
75.00831	1.3
79.95710	0.6
80.96489	0.5
81.03450	1.1
83.01340	1.8
83.04988	0.8
84.95123	0.7
85.02953	5.2
87.00836	1.5
87.04507	17.4
88.98749	0.6
89.02438	6.2
92.05035	0.6
93.03442	0.5
95.01337	0.9
95.04964	0.9
96.96011	4.6
97.02942	5.7
97.06565	2.4
99.00820	1.8
99.04473	1.2
101.02431	7.2
108.04510	0.5
109.02863	0.6
109.06543	0.8
111.04466	0.9
113.02448	4.6
113.06010	2.2
115.00246	0.5
115.03942	1.0
117.01897	0.5
119.03415	1.4
119.04984	0.7
120.99639	0.7
121.02857	0.6
123.04422	1.3
123.08109	1.1
125.02367	2.0
125.05984	1.8
127.07560	0.8
131.03362	0.8
133.05008	0.8
134.99274	0.5
135.08035	0.9
137.02374	1.3
137.09689	0.8
144.09674	0.5
145.02869	1.1
149.04474	0.7
149.09642	0.6
151.00256	1.0
151.11304	0.5
155.10666	1.6
159.11719	0.5
160.29623	0.4
161.04445	1.4
163.00352	0.6
163.03838	0.6
163.11250	0.7
165.09102	0.6
167.14291	0.8
168.56258	0.5
175.02328	0.5
175.03847	0.6
177.12869	2.8
179.05562	0.9
179.06999	0.7
179.14229	0.8
181.12323	2.4
189.12756	1.1
193.15793	0.7
195.13858	3.9
207.13774	1.0
209.11629	0.6
211.16924	0.6
215.14188	0.5
223.13171	0.6
233.15224	1.5
237.14809	1.0
249.06105	0.8
251.16289	1.7
255.02821	0.8
255.15982	20.1
256.16171	0.8
267.15683	0.7
269.17557	22.2
270.17807	1.0
271.02209	3.1
271.05762	1.0
297.17038	15.6
300.02823	3.3
301.03201	1.5
309.16815	0.8
353.22903	2.0
357.19287	0.6
371.19962	0.5
371.24402	3.9
452.15778	1.1
473.27158	0.6
515.28259	0.6
533.12396	2.5
533.25555	100.0
534.11078	0.5
534.19421	0.6
534.26001	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	533.3841
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
52.72661	0.5
56.25004	0.5
59.01374	100.0
61.98817	3.2
66.12706	0.5
67.30134	0.5
69.38979	3.6
75.00894	0.5
81.06767	0.5
96.95927	0.5
123.72185	0.5
135.22403	0.5
207.55232	0.4
210.42628	0.5
413.30698	1.3
415.32141	0.7
447.73236	0.5
457.33542	0.7
473.36313	24.7
474.36850	1.8
533.38696	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	533.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11228	0.4
54.37729	0.4
59.01377	100.0
60.44625	0.4
61.98821	2.3
70.83923	0.4
70.84254	0.8
75.69836	0.4
99.75681	0.3
137.17703	0.4
183.66934	0.4
239.54124	0.4
272.20154	0.4
272.37341	0.4
329.04089	0.4
340.34265	0.4
402.89124	0.4
473.36407	1.3
523.56689	0.5
533.39063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3845
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01376	100.0
61.98831	4.6
63.55059	1.9
69.02111	2.4
69.40247	11.7
72.23129	1.7
96.96040	2.7
109.64238	1.8
160.23254	1.9
205.16101	2.3
207.17549	23.0
219.17570	7.3
235.16792	3.0
237.18562	24.3
255.23410	2.9
294.92310	1.9
345.21848	2.2
375.92142	1.9
455.35226	5.6
473.36374	85.5
474.36761	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3845
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
51.57982	0.5
52.51737	0.6
58.00609	0.5
59.01377	100.0
61.98829	1.9
69.44424	4.4
91.74784	0.6
98.19894	1.3
110.60751	0.5
116.44865	0.6
130.25082	0.6
135.79518	0.6
137.13902	0.6
179.14420	1.1
191.14470	2.3
205.15961	3.3
207.17516	22.6
219.17479	5.3
221.15480	1.3
235.17102	4.0
237.18579	26.4
239.94675	0.6
265.18146	1.7
268.33478	0.6
329.19907	0.6
411.32919	0.6
424.29922	1.7
425.30655	1.0
427.36523	0.6
440.40659	0.6
443.35623	1.9
455.35269	6.7
457.33398	1.9
473.36349	51.5
474.36673	2.8
533.39020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76738	0.9
59.01376	100.0
61.98822	4.1
69.37646	6.8
98.19921	2.2
128.28937	0.9
182.10533	0.9
191.14226	1.3
193.58401	0.9
205.15932	1.4
207.17499	7.5
265.17960	1.2
473.36313	11.5
474.36658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3844
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
52.12893	0.5
59.01377	100.0
59.48092	0.5
60.01707	0.6
61.98827	1.7
188.15237	0.6
463.14569	0.6
473.36307	8.3
496.28421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60777	1.0
59.01379	100.0
61.98822	3.6
71.58031	1.1
146.75803	1.1
218.37671	1.1
254.16493	1.1
277.49100	1.2
338.51764	1.2
449.83887	1.2
455.35272	6.8
456.35532	1.7
473.36371	2.5
520.90747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33325	0.6
59.01383	3.4
61.98827	100.0
63.61765	0.7
71.60387	0.7
105.46775	0.7
227.29750	0.7
289.18231	0.6
468.54065	0.8
474.36288	1.8
509.72842	0.7
540.21082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.0
60.01690	2.2
61.01813	2.3
61.98826	100.0
71.44463	0.8
73.57764	0.5
75.17547	0.4
87.57246	0.4
102.21214	0.5
387.45523	0.5
490.42889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19574	0.7
56.86307	0.7
59.01376	12.5
61.98825	100.0
78.17436	0.8
82.02483	0.8
84.15199	0.7
98.20626	3.0
185.03983	1.0
193.78581	0.8
229.64339	0.7
317.47791	0.8
475.38278	1.7
512.77222	0.8
534.35437	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	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50145	0.4
59.01378	6.6
61.98824	2.0
63.02362	0.4
63.96233	0.9
65.00325	1.0
71.01379	4.6
72.99290	1.2
73.02939	1.9
73.24464	0.4
74.99083	1.3
76.74040	0.4
79.95733	4.4
83.01379	1.8
85.02954	2.5
87.00882	0.8
89.02425	3.1
93.03465	1.1
96.95999	4.1
99.00890	0.9
101.02452	3.3
107.01374	2.6
108.02164	1.2
109.02946	1.4
113.02428	1.5
115.00420	0.5
117.97269	1.0
119.03528	1.0
121.02938	2.0
124.01657	0.5
125.02451	1.4
134.26064	0.5
135.00873	1.2
135.98341	1.7
136.99120	1.1
137.02428	1.1
148.01657	1.4
149.02457	0.6
149.04582	0.6
151.00348	9.6
151.03952	0.5
155.10756	0.6
159.04507	0.5
161.04512	1.5
163.00403	2.3
163.11301	0.5
164.01126	0.9
166.02618	0.6
169.01355	0.9
175.04041	0.5
178.99886	5.1
179.10812	0.5
181.12320	1.7
183.04393	0.4
196.47823	2.0
196.75821	0.5
199.03975	0.8
201.02020	0.6
201.05505	0.5
203.03523	0.6
203.98944	1.7
205.05107	0.7
211.03931	0.8
214.06789	0.5
215.03491	0.6
216.04277	0.5
223.09703	0.5
225.11237	1.3
226.02560	2.1
227.03537	3.7
229.04970	0.7
243.02948	10.2
243.96777	4.7
244.46967	1.3
244.96603	0.5
245.04576	1.4
254.02184	2.1
255.02957	27.6
256.03445	1.1
268.95547	0.4
271.02451	57.8
272.02948	3.2
273.04004	0.8
278.01328	0.4
283.02356	0.8
297.97647	0.7
299.02011	1.7
300.02719	100.0
301.03461	31.3
302.03821	1.4
312.99881	1.0
313.10873	0.6
328.02365	0.5
373.13080	1.5
445.07434	0.6
463.08850	9.6
464.09122	0.7
475.21777	1.0
505.09586	1.9
517.09845	23.6
517.22363	0.8
518.09967	1.4
535.10901	62.8
535.19690	3.9
536.11139	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03431	1.4
58.00595	1.8
59.01375	42.4
61.98828	1.0
67.01883	0.3
68.40590	0.2
69.03451	2.6
69.52042	0.3
69.59784	0.4
69.60194	1.5
71.01376	54.9
71.05019	0.3
72.01727	0.6
72.27919	0.3
72.99297	3.0
73.02941	19.1
75.00861	1.9
81.03452	1.2
83.01385	4.3
84.02157	0.3
85.02945	13.4
86.00111	1.1
87.00873	7.8
87.04509	5.3
88.98808	0.4
89.02438	65.7
90.02782	0.2
93.92225	0.2
95.01364	2.7
95.47240	0.3
96.96009	3.2
97.02948	4.4
99.00874	25.9
99.04517	1.1
101.02435	39.3
109.02961	0.7
109.06572	0.8
109.75227	0.3
111.00880	1.3
111.04541	0.5
111.48740	0.2
113.02441	14.0
115.04013	4.5
116.92872	0.5
117.01937	0.3
119.03481	3.6
119.04922	0.2
121.02937	0.6
123.00877	0.3
123.04460	0.4
125.02433	8.7
125.06081	0.4
127.04067	0.3
129.01921	0.8
131.03494	10.8
131.07175	0.3
136.05307	1.3
137.02397	0.4
138.06845	3.0
141.01938	0.8
143.03522	3.2
145.02959	0.8
145.05040	0.6
149.04539	32.1
150.03160	0.4
151.04015	0.4
151.07629	1.5
152.08429	3.1
153.09203	7.4
156.13341	0.3
159.02983	2.4
159.06630	3.3
161.04539	14.2
165.05693	0.3
167.10742	1.8
169.01472	0.3
173.04507	0.4
179.05620	0.9
191.05586	8.9
205.12305	0.4
221.06633	2.8
233.06609	5.2
233.10371	0.8
235.08380	0.3
241.14374	2.3
243.15991	0.6
249.09755	9.9
250.09914	0.3
251.07719	3.7
275.02014	0.3
275.07590	0.4
291.07169	0.6
293.08746	5.0
300.99829	0.6
311.09808	1.9
313.16663	0.4
314.07733	0.3
323.09879	0.3
329.10452	0.7
365.14459	0.8
367.12411	1.5
373.14835	1.1
381.13974	50.4
382.14194	1.6
403.19693	6.5
535.23932	100.0
536.17188	0.3
536.24274	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	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32989	0.2
55.01872	2.0
57.03449	2.0
58.00592	4.7
59.01377	100.0
60.01725	0.5
61.98827	0.8
71.01379	61.3
72.01722	0.6
72.51265	0.3
72.99306	5.0
73.02949	3.4
75.00864	0.7
75.22729	0.3
81.05978	0.3
83.01376	3.7
84.02182	0.3
85.02950	13.2
87.00874	3.2
89.02441	81.9
90.02769	0.6
92.54430	0.3
95.01392	4.6
96.96013	3.4
97.02960	0.8
99.00867	1.6
101.02441	37.2
102.02763	0.6
102.03540	0.2
111.00909	0.5
113.02446	26.3
113.49732	0.3
114.02728	0.3
119.03497	35.8
120.03816	0.5
125.02469	1.1
131.03502	4.0
143.03494	4.4
149.04543	3.9
159.02968	0.7
161.04547	6.6
176.47208	0.2
179.05598	12.7
180.05920	0.4
191.05595	0.6
212.71976	0.3
355.21414	0.8
373.22314	1.0
379.87933	0.3
475.22354	0.5
493.22598	0.3
517.23364	0.4
531.82916	0.3
535.27563	83.5
536.27911	8.1
536.36029	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79141	0.4
52.31152	0.4
55.01869	4.2
57.03441	3.0
58.00591	1.7
59.01377	37.2
60.01691	0.4
61.98816	1.5
63.96199	0.5
69.03445	1.4
71.01378	61.9
71.60200	0.6
72.01713	0.5
72.99311	3.7
73.02940	17.6
75.00868	1.6
79.95757	0.6
80.91655	0.5
82.95411	9.8
83.01385	11.1
85.02944	27.4
87.00871	3.8
89.02441	19.2
89.97031	0.4
93.03442	1.0
95.01385	5.2
96.96005	1.7
97.02951	2.1
99.00877	9.3
100.95895	0.4
101.02436	50.7
102.02789	0.5
111.00893	1.0
112.01663	0.6
113.02443	28.6
119.03487	5.4
125.02424	3.7
129.01942	1.2
131.03482	2.3
135.98341	1.5
137.02492	0.5
143.03503	4.3
149.04517	0.8
155.10753	0.7
159.02983	5.1
161.04541	27.3
167.03531	0.4
179.05589	2.9
179.10686	0.6
181.12280	1.0
191.05515	0.5
221.06560	2.6
225.11290	1.3
243.96809	0.5
280.20166	0.5
307.19217	0.5
355.21347	0.7
373.22263	35.7
374.22632	2.0
417.21365	0.6
429.21368	0.5
535.27557	100.0
536.27954	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	535.3121
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01875	0.8
57.03430	0.7
58.00580	1.2
59.01376	14.7
61.98831	1.8
69.22170	2.3
71.01004	0.5
71.01379	9.6
71.05004	0.3
72.99293	0.9
73.02943	3.0
75.00885	0.5
83.01395	1.9
85.02946	4.3
86.82798	0.3
87.00855	1.0
89.02438	6.2
93.03413	0.4
95.01386	0.8
96.96003	1.8
97.02948	0.3
97.06610	0.4
99.00874	1.0
99.04514	0.7
99.23839	0.3
101.02435	5.9
108.02155	0.7
109.02950	1.1
113.02444	3.3
117.03430	0.5
119.03475	1.4
121.02953	0.6
121.06671	0.2
122.03725	2.8
123.04520	5.1
125.02404	0.9
125.09723	1.1
127.11292	0.4
133.36443	0.3
135.04523	0.3
135.11754	0.8
135.77127	0.3
137.02441	0.9
143.10759	0.4
145.02953	1.9
146.22676	0.3
149.02419	0.3
149.04527	0.3
151.00418	0.3
155.10777	0.6
161.04570	1.0
161.09738	0.3
167.03519	0.3
169.12329	0.9
171.10240	2.1
179.10751	1.9
183.14043	0.3
197.11816	0.4
199.13278	0.3
201.11259	1.5
267.89676	0.3
325.23743	0.8
337.23682	0.7
343.24820	2.2
353.23291	0.3
355.24838	7.9
356.25128	0.5
357.26520	0.3
371.24561	0.5
373.25916	14.7
374.26477	0.4
426.86197	0.3
475.28967	0.3
491.18658	0.6
517.29736	2.1
533.30005	0.3
535.31232	100.0
536.31537	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	535.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02229	12.3
60.99317	15.7
67.45621	15.0
69.39992	100.0
87.95201	14.9
90.18427	15.1
93.62823	18.4
96.95992	26.4
234.26514	16.1
236.31548	14.4
256.41168	15.5
483.34738	24.5
499.37823	75.2
535.35547	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	536.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
60.01712	0.5
61.98829	100.0
69.21033	4.8
78.11383	0.4
118.28291	0.5
343.00287	0.5
352.33508	0.6
392.00659	0.5
396.98834	0.6
476.37268	0.6
480.50467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98826	100.0
66.68742	0.1
69.41595	1.3
75.06503	0.2
79.39888	0.1
94.23121	0.2
98.20668	0.3
106.81260	0.2
112.50021	0.2
119.28273	0.2
226.22968	0.2
376.25998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17955	0.2
59.01376	2.4
60.01707	0.3
61.98827	100.0
69.38551	1.3
148.58269	0.2
165.23029	0.2
196.48448	0.2
446.37201	0.2
475.37967	0.4
476.38248	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	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03409	1.7
58.00570	1.1
59.01373	24.0
61.08977	0.5
61.98826	9.7
66.60321	0.5
67.01849	0.5
68.99796	0.7
69.03443	1.6
71.01012	1.0
71.01379	17.8
71.61562	0.6
72.99284	2.3
73.02937	5.6
75.00856	0.9
79.01873	1.0
81.03433	1.1
83.01364	2.5
85.02940	6.6
87.00854	2.9
87.04480	0.8
89.02436	9.9
93.03435	0.7
95.01374	2.7
96.96011	5.1
97.02939	2.1
98.95584	0.6
99.00845	2.9
101.01779	0.9
101.02441	11.8
107.01388	3.1
109.02901	0.8
111.00873	2.7
113.02435	5.8
119.03506	2.7
119.05026	0.7
120.99636	1.9
121.02949	1.3
123.00880	14.1
123.04567	0.8
123.53194	0.6
124.01663	3.1
125.02437	78.8
126.02782	0.8
127.00387	0.6
131.03500	1.4
135.04538	1.0
136.98805	1.0
137.02448	2.0
137.09663	0.9
139.00360	9.6
140.01149	3.1
141.01920	1.4
142.57379	0.5
143.03560	0.9
145.02948	0.9
149.02441	1.4
149.04530	2.0
151.00346	11.4
151.04047	0.9
153.01953	1.3
154.02695	3.6
161.02480	0.6
161.04549	3.7
161.09698	0.6
163.04048	1.3
165.01996	1.1
165.03992	0.7
167.03523	1.2
168.00620	9.6
169.01411	84.4
169.12367	0.6
169.71722	0.6
170.01797	1.9
175.00436	1.7
175.07767	0.6
179.05667	0.9
179.10786	1.6
187.11223	1.0
190.02711	4.3
191.03563	1.0
205.05022	5.1
205.12355	1.5
211.02466	8.6
221.06660	0.6
223.06169	1.0
233.41216	0.6
267.07422	0.7
271.04556	10.0
287.07742	3.8
297.06451	0.8
313.05573	4.8
329.23416	0.6
331.06683	7.3
345.19092	6.5
357.26501	1.3
367.10083	3.3
375.27420	4.1
389.25800	0.6
449.18073	3.0
475.18423	1.0
477.23349	13.8
493.16992	7.9
536.32111	2.5
537.20172	100.0
537.32306	26.9
538.20654	5.3
538.32837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02610	1.0
52.05920	1.0
55.01843	0.9
57.03427	2.0
58.00571	1.2
59.01374	30.8
61.98832	6.6
67.01883	1.5
69.03448	1.8
69.36963	8.0
71.01378	22.0
72.99301	1.2
73.02942	4.8
75.00849	1.8
79.01869	1.7
79.95720	2.6
80.96507	6.3
80.96879	1.1
81.03455	1.6
82.95399	3.2
83.01381	5.6
83.04975	1.6
85.02931	6.6
87.00858	3.0
88.98784	3.3
89.02449	9.3
93.03419	2.0
94.98086	1.2
95.01379	6.0
96.95980	4.7
97.02925	3.8
98.20654	2.0
99.00861	1.8
101.02421	11.0
107.01382	17.5
109.02960	2.5
111.00861	1.6
111.04499	1.3
113.02422	7.8
113.06055	1.8
117.03484	5.2
119.03509	2.1
119.04984	2.5
122.03724	1.9
123.00872	25.7
123.04502	1.7
124.01608	4.6
125.02440	72.9
125.06030	1.8
131.03427	1.3
135.11798	6.1
137.02435	5.1
139.00407	7.5
140.01106	2.4
141.01855	3.3
143.03416	1.5
145.01881	1.4
145.02946	16.7
149.02443	5.7
149.09628	1.9
151.00362	19.3
151.03943	1.6
153.01875	3.5
154.02736	1.8
155.03424	1.7
159.08101	2.5
159.11713	3.5
161.04521	4.1
161.09720	12.2
163.03900	1.5
164.04749	1.5
165.01915	1.3
167.03413	1.4
168.00627	5.6
169.01408	100.0
169.05017	5.9
170.01730	2.8
177.12819	2.2
179.05522	1.5
179.10764	23.6
193.01411	2.0
193.12347	5.6
203.10756	8.8
205.08585	1.1
211.02493	9.7
221.11687	4.4
223.09737	16.9
225.00786	1.1
227.03423	2.4
253.03445	1.5
255.02797	3.2
265.10699	4.1
284.03088	2.4
285.04037	13.1
295.11948	5.0
313.05527	3.9
325.09335	1.4
325.12888	20.5
331.06677	2.4
338.47430	1.1
357.25516	1.4
374.26151	3.4
375.01608	1.3
375.26862	3.3
385.15018	40.0
386.15063	2.4
401.80328	1.1
433.13260	1.2
477.24158	1.3
493.17068	39.2
494.17078	3.0
507.12732	1.2
507.19891	2.1
516.13464	2.3
536.23950	1.3
536.31604	27.8
537.15808	88.8
537.32141	33.5
538.15967	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	537.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03429	1.0
59.01377	15.2
61.98828	7.4
63.02817	0.5
65.03957	3.5
67.01878	2.5
69.03452	1.2
69.61323	2.8
71.01378	10.2
72.99316	0.9
73.02936	3.4
75.00859	0.7
79.95743	0.9
83.01387	1.8
83.05046	0.4
85.02947	4.4
87.00850	1.1
89.02438	8.4
91.01895	13.9
95.01398	1.3
96.96004	6.5
97.02945	1.0
99.00879	2.7
101.02451	6.8
107.01394	1.4
109.02946	26.0
111.00855	1.1
113.02445	3.8
119.03504	1.6
119.05062	0.8
123.00871	3.3
123.04493	1.6
124.01651	1.3
125.02443	26.9
131.03479	1.3
133.02916	0.4
135.00877	40.7
136.01189	0.7
137.02446	0.9
139.00378	1.6
140.01138	1.0
145.02957	0.5
149.02444	2.0
149.04538	1.9
151.00406	3.3
151.03993	0.7
153.01930	100.0
154.02296	1.7
159.02986	0.7
161.04570	2.1
161.05981	0.6
163.03996	1.3
165.12779	0.5
167.03470	0.6
168.00677	2.4
169.01418	25.3
170.01756	0.6
177.01965	0.5
179.05513	0.6
179.10707	0.8
187.13484	0.5
211.02458	1.5
225.61128	0.4
233.06592	1.4
243.06551	0.8
271.04587	1.8
293.08868	1.0
297.06085	0.9
313.05719	0.9
327.10965	0.6
345.19122	6.8
375.20123	0.8
375.27411	2.4
429.10303	8.3
430.10455	0.5
451.03607	0.5
463.17389	0.5
477.23358	3.5
477.30270	0.8
493.17120	5.4
507.20764	0.7
536.31445	1.2
537.19775	21.6
537.32776	11.7
538.20203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24342	1.2
57.03455	1.5
58.00596	3.6
59.01377	74.4
61.98824	8.3
66.71568	1.3
69.03439	6.4
70.03487	6.3
70.74274	1.2
71.01379	71.8
72.01691	2.2
72.99287	3.3
73.02946	13.5
74.99091	1.5
75.00854	3.6
79.95744	1.4
81.03452	5.0
83.01384	6.5
85.02953	10.1
87.00861	5.2
89.02439	100.0
90.02792	1.4
95.01378	2.5
96.96001	27.1
97.02934	9.7
98.19901	1.7
99.00877	20.7
99.04468	1.9
101.02442	27.4
105.01896	2.8
109.02932	2.3
113.02456	13.2
115.03992	6.6
116.92799	1.4
119.03501	7.3
123.00818	2.0
123.04639	1.4
125.02435	42.6
126.02725	1.7
131.03502	17.0
139.24287	1.6
143.03476	4.9
149.04543	35.2
151.04012	2.7
153.01929	18.3
160.04024	1.5
161.04507	4.6
168.04248	14.7
169.01494	1.7
179.05585	2.1
183.06537	1.8
191.05602	13.3
198.16544	1.6
221.06505	1.9
233.06665	25.8
241.07480	2.4
254.10683	1.5
267.06863	3.4
282.09198	1.7
289.07266	2.7
291.01508	1.5
293.08765	76.9
294.09048	2.4
295.10739	4.7
297.11310	4.5
300.99530	1.4
313.11978	6.9
327.12375	3.0
339.09827	2.2
345.13510	2.7
357.43710	1.3
371.12299	6.0
375.14178	5.9
381.13953	2.7
382.14325	2.6
383.14209	5.0
397.10159	1.7
405.21109	2.5
415.11404	4.4
431.85101	1.5
447.14163	10.1
459.13974	2.3
477.15604	6.6
477.23013	3.2
506.12256	1.5
537.16693	10.7
537.25012	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	537.1953
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
53.14859	0.6
57.03487	0.8
59.01379	8.8
61.98835	0.9
69.03500	1.1
71.01382	7.1
71.60612	0.7
72.99342	0.7
73.02998	2.4
75.00910	1.1
83.01433	1.3
85.03013	2.1
87.00938	1.3
87.40393	0.6
88.93864	0.6
89.02445	3.8
95.01444	1.2
96.96058	1.4
97.02984	0.6
99.00959	0.9
101.02441	4.1
107.01382	3.3
109.03014	1.1
111.00935	2.0
113.02512	2.2
119.03519	0.9
120.99699	0.8
123.00911	3.2
124.01746	1.6
124.97015	0.6
125.02439	21.7
127.00447	0.7
136.98840	1.1
137.02446	1.4
139.00424	2.4
140.01212	2.4
149.04562	1.1
151.00429	2.5
151.04050	0.8
161.04596	1.2
165.02005	0.9
167.03540	1.5
168.00616	9.8
169.01422	31.6
170.01782	0.7
177.04094	1.2
181.12341	0.6
191.05789	0.6
211.02467	53.9
212.02834	1.0
241.03473	0.8
243.96843	0.9
271.04568	100.0
272.04846	2.5
287.05655	0.8
331.06674	30.1
331.17233	1.3
332.07147	1.2
375.27426	1.1
389.25473	1.1
477.23495	4.4
478.23444	0.7
537.19781	23.6
537.32440	5.1
538.20258	1.9
538.32263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76932	0.5
55.01873	2.1
57.03444	2.9
58.00588	1.4
59.01377	65.6
60.01700	0.6
60.99302	0.6
61.98829	1.3
69.03468	1.0
69.46981	3.6
71.01380	49.4
72.48615	0.5
72.99304	2.3
73.02943	17.8
73.03354	1.0
75.00880	1.3
81.03460	0.8
83.01382	9.2
85.02942	21.0
87.00887	2.7
87.04562	0.7
88.98804	3.3
89.02439	21.7
93.03445	0.9
95.01382	3.0
96.95995	0.8
97.02931	2.4
99.00876	7.7
101.02435	33.3
102.02815	0.9
103.04025	2.6
111.00871	0.9
113.02447	20.0
113.03242	1.1
119.03497	4.0
121.10254	0.5
123.00894	0.6
123.08148	0.9
125.02453	5.0
129.01953	0.9
131.03479	1.7
137.02388	1.4
139.00343	0.6
143.03488	3.4
145.05054	1.4
147.93347	0.5
149.04559	9.7
151.00348	0.8
159.02968	3.3
161.04546	19.8
161.05888	1.1
163.06100	4.1
164.04799	1.4
164.43982	0.5
169.01375	0.8
171.10197	0.7
177.05530	0.7
179.05643	1.1
179.07124	2.5
183.03030	0.5
187.13376	1.7
191.05609	2.2
201.11266	0.6
205.05145	0.5
221.06656	1.2
225.04008	0.9
229.07166	0.6
231.15907	0.8
247.08298	0.8
251.07660	1.7
271.02463	0.7
285.06104	1.1
293.08728	0.5
300.02832	1.2
301.03278	0.7
303.44717	0.5
307.02408	0.5
307.10349	0.9
311.09830	1.6
331.17590	23.9
332.17853	1.0
375.27405	4.3
389.25491	2.5
447.09341	2.4
477.23376	100.0
478.23776	5.4
521.22107	0.8
537.20868	14.2
537.32697	26.4
538.20978	1.5
538.33228	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	537.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03440	3.9
58.00581	2.0
59.01377	66.6
59.46769	0.7
60.01713	1.0
61.98831	10.7
68.59769	0.7
69.03436	1.5
69.57101	3.7
71.01380	49.9
72.99300	2.6
73.02946	17.3
75.00858	1.1
83.01377	10.4
85.02446	1.4
85.02948	25.0
87.00857	2.5
87.04498	0.8
87.45100	0.6
89.02441	20.0
95.01385	3.9
96.96004	3.1
97.02935	2.0
99.00873	6.5
101.02439	40.5
103.04002	2.1
109.02919	0.7
113.02449	20.5
119.03499	7.8
123.00912	0.7
123.04474	0.7
125.02456	4.6
125.09668	0.9
127.03976	0.9
129.01973	1.1
131.03459	1.5
134.03732	1.2
135.04564	0.7
137.02411	1.1
138.01935	0.9
141.09232	0.6
143.03477	2.4
145.05019	1.3
146.03720	4.2
149.04567	1.4
149.06047	1.2
151.00380	0.7
159.02994	3.8
161.02498	0.9
161.04562	21.1
161.06023	1.8
163.06085	2.8
164.04817	4.4
166.06367	1.4
167.10719	0.7
177.05432	1.0
179.05595	3.0
179.07120	8.2
181.08659	1.2
187.13347	1.3
189.51091	0.6
194.05815	0.8
195.06596	0.9
201.11272	1.6
209.08176	1.4
225.03996	0.6
229.07053	1.0
229.14194	0.6
231.16052	1.7
238.67212	0.6
305.16141	0.7
307.10449	0.7
327.14496	5.4
331.17590	29.9
332.17865	0.8
345.19348	0.7
349.18604	3.5
359.14407	1.1
360.14856	1.4
367.89563	0.7
374.16806	0.9
375.17157	2.9
375.27509	9.1
376.27600	0.8
389.25381	3.2
475.25629	3.0
477.23376	100.0
478.23682	7.1
492.42493	0.7
493.17297	0.7
519.18683	0.7
537.21912	8.6
537.32770	41.2
538.33759	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03449	2.6
58.00588	1.2
59.01376	37.8
61.98814	2.2
64.64556	0.7
69.03454	1.4
69.28722	0.8
69.50996	0.7
71.01379	38.3
72.99303	2.4
73.02946	15.5
75.00851	1.3
79.95747	3.7
81.03460	1.2
81.95319	1.9
82.95418	2.0
83.01385	10.3
85.02946	18.7
87.00872	2.5
88.98793	0.9
89.02432	8.7
93.03467	1.2
93.31384	0.7
95.01379	3.4
96.96011	3.5
97.02946	1.9
99.00854	5.8
101.02440	33.1
103.04019	2.1
107.01381	1.4
111.00874	2.1
113.02455	17.3
113.93191	0.8
115.03959	0.9
119.03497	3.0
123.00866	2.0
124.01643	1.8
125.02441	20.4
137.02469	0.9
139.00380	1.2
140.01152	1.5
143.03471	2.8
145.05032	0.8
149.04587	1.3
151.00360	1.6
159.02921	3.8
161.02481	1.6
161.04550	15.0
163.06165	3.2
167.03418	1.2
168.00661	5.1
169.01414	19.8
170.01714	0.9
177.04083	1.7
197.47801	0.8
203.99069	1.3
211.02461	24.2
243.96725	1.1
244.47025	1.6
244.96587	1.9
245.47026	1.4
247.08218	1.4
271.04565	43.9
272.04880	1.1
312.99664	1.4
327.08548	0.8
330.11087	2.2
331.06689	16.4
331.17621	21.0
342.10880	1.2
345.13412	7.3
356.66962	0.8
357.13373	2.5
376.86172	0.8
393.85278	0.7
424.54556	0.9
477.23380	100.0
478.23688	7.0
501.19159	2.1
537.11743	1.9
537.18829	8.3
537.26013	1.3
537.32617	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	537.3278
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01881	1.9
56.88820	0.4
57.03455	2.1
57.03664	0.4
58.00589	2.6
59.01375	45.0
61.98824	2.8
69.03449	0.5
71.01376	35.3
71.05024	0.6
72.99294	2.8
73.02941	10.3
75.00853	0.8
83.01366	4.5
85.02949	11.7
87.00869	2.4
87.04496	1.6
87.13712	0.4
88.98824	0.8
89.02438	27.2
93.03426	1.1
94.23189	0.4
95.01373	3.0
96.96023	2.2
97.02934	0.5
99.00873	2.6
101.02436	24.4
108.04562	0.6
111.00864	1.2
113.02441	13.5
113.09718	0.9
119.03490	11.7
120.99630	0.8
121.02927	0.7
121.10181	1.7
123.00843	1.5
123.04485	1.1
123.08146	0.9
125.02427	2.9
125.09672	0.7
127.11263	0.6
129.01889	0.6
131.03448	1.6
135.98328	0.9
137.02403	1.6
137.09703	1.9
139.00339	0.6
141.09229	0.4
143.03470	1.8
143.10777	0.9
145.02866	0.5
146.03687	1.4
147.08150	0.5
149.02448	0.6
149.04532	1.4
149.09717	0.7
151.00357	1.5
151.11307	0.4
153.01897	0.4
153.05551	1.7
153.09195	1.6
155.10783	0.6
159.02988	1.0
161.04550	4.8
161.05940	0.7
167.10750	1.3
168.00615	0.8
169.01392	2.7
169.12248	0.9
170.01648	0.4
173.11783	0.8
179.05595	5.2
179.07033	0.7
179.10748	1.2
181.12247	0.6
182.36446	0.4
187.13345	2.6
199.13350	0.6
211.02440	1.2
215.12802	0.6
216.13704	0.9
217.14406	13.0
218.14697	0.4
229.14232	0.5
231.15974	2.9
243.06461	0.5
259.19241	0.5
271.04578	1.4
285.04010	0.6
305.16022	2.4
319.17679	2.0
320.17624	0.5
324.37961	0.4
331.17593	0.5
342.58200	0.4
345.19183	0.7
349.18671	3.9
357.13580	0.7
357.26517	1.9
373.25974	0.6
375.27435	16.2
376.27853	0.8
389.25470	1.0
470.01990	0.4
477.23331	1.9
519.31757	3.0
537.20825	10.9
537.32739	100.0
538.20490	0.9
538.33032	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	537.3279
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01870	0.9
57.03443	1.2
58.00579	0.5
59.01377	13.0
60.01702	0.2
60.99291	0.7
61.98819	1.1
62.97078	0.2
65.00308	0.4
65.39776	0.2
66.47054	0.2
69.03446	0.5
71.01378	7.5
72.99293	0.9
73.02945	2.2
73.53463	0.2
75.00854	0.2
79.95718	0.3
80.96523	0.4
81.03435	0.3
83.01392	1.8
83.04980	0.3
85.02952	2.5
87.00896	1.0
87.04516	0.3
88.98804	5.1
89.02441	5.6
93.03443	0.4
95.01387	1.0
95.05015	0.2
96.96010	1.1
97.02928	0.8
98.20610	0.7
98.23246	0.2
99.00858	0.5
99.04463	0.3
100.41297	0.2
101.02441	5.3
107.01376	1.6
109.02939	0.3
109.06618	0.2
111.00883	0.3
113.02445	2.7
113.13328	0.2
119.03497	1.2
119.04979	0.2
120.64569	0.2
121.02948	0.3
123.00881	1.7
123.04513	0.4
123.08196	0.4
124.01635	0.6
125.02436	12.5
126.02782	0.4
135.08188	0.2
135.11748	0.3
137.02443	1.5
139.00348	0.6
139.03999	0.3
140.01196	0.4
141.09138	0.3
145.02933	0.4
149.02385	0.2
151.00360	4.3
151.03908	0.2
153.01926	0.3
155.10799	0.2
157.12344	0.4
159.11768	0.5
161.04552	0.4
161.09689	0.4
164.01057	0.2
165.01892	0.6
167.03540	0.4
168.00618	0.7
168.58739	0.2
169.01413	17.8
169.12321	0.4
170.01700	0.6
171.10199	0.3
175.07632	0.3
177.01837	0.3
177.12758	0.3
179.10750	1.9
182.11032	0.3
185.11781	0.8
193.01384	0.3
203.10675	0.3
203.81323	0.2
211.02441	1.7
215.12834	0.5
221.11728	0.5
223.09714	1.3
241.03300	0.3
241.08743	0.5
265.10886	0.4
271.04520	1.9
285.03952	0.7
295.11832	0.7
313.05597	2.4
325.12915	2.1
329.23267	1.7
331.06747	0.3
339.25339	0.4
355.24799	0.4
357.26425	4.3
358.27161	0.2
360.86487	0.3
367.11807	0.4
373.25809	0.8
375.27472	15.8
376.27652	0.6
385.15314	1.6
447.21219	0.2
458.42297	0.2
484.01672	0.2
493.17050	2.3
501.17838	0.3
519.31708	1.9
537.16003	10.4
537.32739	100.0
538.16071	1.4
538.33069	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	537.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58274	1.0
59.01378	2.0
61.98824	12.2
62.79360	0.9
64.68526	1.2
70.63180	1.0
74.88126	1.2
84.66954	1.1
98.20724	2.6
229.94260	1.7
374.08102	1.1
407.01532	1.3
443.70157	1.2
455.35269	30.9
456.35855	1.3
507.22733	1.0
537.35583	100.0
538.35919	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	538.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
64.05663	0.2
70.59836	0.6
96.96014	0.4
98.19964	0.2
168.55225	0.2
244.06546	0.2
355.90463	0.2
421.82358	0.2
475.83868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.5
69.94945	1.3
71.01365	1.1
73.02937	1.0
73.97195	0.3
76.28028	0.2
78.34615	0.2
79.95728	4.3
80.53697	0.3
85.02912	0.5
89.02443	0.8
95.95214	2.0
96.96008	100.0
101.02459	0.9
101.46767	0.3
118.29447	0.3
160.39456	0.3
169.01440	0.5
184.61008	0.3
257.08478	0.6
273.11621	2.4
291.12576	0.3
311.09625	0.3
311.96185	0.4
377.16162	0.5
387.16522	1.0
435.16849	0.6
453.17972	18.3
454.18073	1.0
495.19028	49.0
496.19366	3.3
521.16742	2.8
539.17963	15.4
540.18152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33102	0.7
55.01861	1.1
57.03436	1.3
58.00594	1.1
59.01102	0.9
59.01380	13.4
66.23220	0.6
70.48073	1.9
71.01379	12.4
72.99302	1.4
73.02949	6.1
83.01395	4.7
85.02943	6.6
86.00159	0.9
87.00869	1.1
89.02425	2.8
93.03459	1.8
95.01402	1.6
96.96007	9.6
97.73487	0.6
99.00880	2.6
100.39352	0.7
101.02434	12.0
111.00899	1.0
113.02424	4.0
120.99650	2.0
121.02954	5.1
122.03728	4.7
123.04527	1.0
125.02462	0.9
133.02950	4.9
134.03741	1.6
135.04530	1.4
137.02464	0.7
147.04552	1.3
149.02432	25.1
149.06056	1.9
150.03217	35.1
151.03693	0.6
161.04543	0.8
164.04797	5.5
164.76004	0.6
165.05550	28.1
166.06343	4.1
167.07127	2.2
177.05583	0.6
180.04283	1.8
181.08685	5.2
193.71140	0.6
195.06625	12.1
260.52499	0.8
271.04599	1.2
283.09705	0.7
314.11603	5.0
315.12106	1.7
329.13889	11.6
330.14450	1.0
343.14044	9.3
391.13953	1.2
422.74554	0.7
453.17841	1.5
479.21057	1.0
491.19180	100.0
492.19626	8.6
495.18994	3.4
539.21497	20.0
540.21796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.76763	0.6
57.03451	1.2
58.00589	4.6
58.59788	0.6
59.01376	94.7
61.98823	3.0
71.01378	64.9
71.60047	0.8
72.99306	5.3
73.02943	2.5
73.37876	0.5
75.00864	1.3
79.95737	1.2
82.76465	0.6
83.01406	3.2
85.02946	11.3
87.00890	4.4
89.02438	100.0
90.02766	0.9
95.01391	4.7
96.96007	15.0
99.00848	1.1
99.04459	0.7
101.02433	35.3
105.86164	0.6
107.01424	0.7
108.02139	1.7
113.02442	28.2
117.03430	0.8
119.03494	37.3
121.02283	0.6
121.02956	6.6
123.00829	0.7
123.04523	1.2
125.02442	4.9
131.03485	5.0
133.02943	0.9
135.04514	1.2
143.03491	7.5
145.02948	3.8
146.03697	1.6
147.04485	1.2
149.02475	4.6
149.04546	3.0
149.05669	0.5
150.03235	5.2
151.00439	0.9
151.03986	0.9
161.02455	3.8
161.04556	6.5
161.05902	1.0
162.03215	36.9
163.03633	1.3
164.04762	1.4
165.01842	0.6
165.05557	4.1
166.06328	15.5
169.01353	2.5
170.93062	0.6
174.03104	0.8
177.05553	33.6
178.05814	1.0
179.05602	19.1
180.04202	1.4
181.08705	6.7
185.11797	0.7
189.05618	0.6
191.05452	0.6
195.06635	4.0
200.13513	0.6
201.56612	0.6
211.02335	1.4
219.06538	0.9
271.04456	2.6
283.10437	0.7
314.11560	1.1
329.13892	3.9
357.11630	0.8
359.14771	3.9
377.15631	2.1
439.08365	2.5
453.17615	1.1
479.21024	3.7
491.18576	1.8
495.19028	7.1
500.05789	0.6
521.19849	1.0
539.21289	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	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03351	0.3
50.96966	0.3
51.11896	0.4
53.71875	0.3
57.03438	0.9
59.01373	5.5
61.98821	0.7
65.00337	0.4
67.01909	0.8
69.03442	0.3
71.01385	4.2
71.60160	0.4
72.99287	0.9
73.02940	1.0
74.99134	0.4
75.00863	1.3
79.01862	0.8
83.01379	0.6
84.95110	1.0
85.02928	1.9
87.00871	4.3
89.02433	3.0
95.01382	1.4
96.96007	5.6
97.02911	0.7
99.00867	0.7
100.88174	0.3
101.02440	2.9
103.21921	0.3
107.01385	2.9
109.02937	0.4
111.00886	1.4
113.02417	1.5
117.01903	0.3
119.03490	0.6
122.13657	0.4
123.00883	11.2
123.04477	0.6
124.01701	0.7
125.02445	13.7
126.02740	0.4
127.00344	0.8
129.02046	0.3
136.98801	1.3
137.02457	0.5
139.00362	4.8
139.09882	0.3
140.01141	3.4
141.01875	1.2
151.00362	7.8
151.04047	0.4
152.08403	0.9
153.01932	0.6
163.03973	0.6
164.80959	0.4
165.01843	0.3
165.05490	0.3
166.99883	0.4
168.00636	3.7
169.01414	20.6
170.01761	0.5
177.04082	1.8
177.05402	0.4
179.03453	0.4
181.05043	0.7
192.16881	0.3
211.02477	3.8
215.40182	0.3
241.03520	0.6
253.03476	0.5
271.04590	3.5
293.08636	0.4
313.05563	1.7
329.05151	1.3
334.74689	0.4
335.06427	0.4
377.29126	1.0
453.17969	0.5
483.15173	0.7
495.19046	0.9
529.05469	0.3
539.21295	100.0
539.34528	4.9
540.21741	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	539.2261
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
53.64388	2.0
54.17726	2.2
59.01365	5.5
61.98808	6.1
69.26854	7.8
69.27283	11.9
71.01379	13.6
73.02950	4.8
82.90900	2.1
85.02930	4.9
89.02442	7.4
89.99509	2.5
99.00882	2.7
101.02425	11.2
113.02428	5.0
116.20570	1.9
120.99647	49.5
145.48677	1.9
155.21271	2.0
161.04498	5.5
163.33525	1.9
172.29298	1.7
234.45612	1.8
306.61462	1.9
371.20673	8.4
502.88654	2.3
503.24948	86.0
504.25497	5.8
539.22583	100.0
540.22876	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2262
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
50.95666	1.3
55.73722	1.4
57.03427	1.3
59.01376	12.0
61.98822	2.3
62.60350	1.2
69.22662	11.8
69.23071	2.4
71.01372	15.0
73.02934	3.1
75.00872	1.9
79.36214	1.3
83.01357	2.4
85.02950	2.5
87.00858	1.6
89.02452	7.4
96.96032	3.7
99.00866	2.1
101.02406	9.6
109.02937	2.3
113.02447	6.0
119.03465	1.6
121.02951	2.3
125.02397	1.6
140.40057	1.2
145.02928	3.4
149.04482	2.3
151.00380	2.4
161.04587	2.0
169.01332	1.7
185.60706	1.4
196.31219	1.4
211.02550	1.5
264.44019	1.5
282.58679	1.4
285.03879	2.2
319.90717	1.5
361.16452	2.2
371.20624	3.5
377.28925	5.2
423.69580	1.7
503.25153	1.8
539.22406	100.0
539.34192	39.7
540.23083	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	539.2261
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
59.01377	28.6
61.98809	8.5
63.83789	2.6
70.74143	5.8
70.74480	5.3
71.01376	14.5
73.02927	4.1
83.01364	6.8
83.22879	2.4
85.02944	10.3
86.62400	2.5
88.98815	5.5
89.02433	10.9
90.47499	2.4
96.96005	5.2
101.02421	11.9
108.38379	2.6
113.02428	5.2
120.99651	34.8
125.02422	6.8
131.03366	2.5
137.02483	2.7
145.02998	2.9
151.00319	3.4
151.31728	2.7
161.04514	4.8
169.01422	4.5
249.53044	3.2
249.59682	3.0
264.10355	2.5
301.03513	3.2
309.72852	3.0
479.25040	4.3
503.24921	36.1
539.22198	100.0
539.34058	14.1
540.22296	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	539.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.9
61.98841	7.9
67.81027	1.6
69.40044	1.4
69.40343	13.3
71.01379	19.0
72.99318	2.0
73.02950	9.6
75.00834	1.9
78.95913	2.3
79.95738	10.8
85.02943	7.0
85.66064	1.4
87.00853	8.0
87.11491	1.6
89.02444	9.5
96.96012	10.2
97.02948	2.0
99.00883	5.5
101.02430	14.1
113.02428	7.0
115.03989	2.1
121.02929	2.7
123.04498	2.0
125.02439	4.5
131.03473	2.1
137.02454	2.3
147.04515	2.7
149.04507	5.0
161.04506	4.3
162.94301	2.0
165.05664	2.5
201.05634	2.2
201.11267	2.9
233.06665	1.7
273.84897	1.6
293.08820	2.1
313.14526	2.4
371.20602	4.3
410.37305	1.7
451.30328	2.6
477.32068	2.1
495.33252	3.2
503.24960	100.0
503.31607	3.9
504.25107	8.1
539.22388	96.5
539.30914	21.9
540.22614	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	539.2267
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
57.03460	2.0
59.01384	23.4
61.98830	7.4
69.24921	12.1
69.25352	9.2
71.01381	21.4
73.02948	6.3
83.01391	3.0
85.02950	7.0
88.98843	3.0
89.02434	12.9
96.96007	7.8
99.00877	5.4
101.02459	9.4
107.01379	4.1
113.02467	8.0
114.07790	2.3
119.03534	5.0
123.00899	2.8
123.04526	2.7
125.02427	15.1
127.37791	1.9
131.03642	2.3
143.03394	2.3
145.03011	6.0
151.00409	10.5
151.04079	2.5
153.05568	2.8
161.04619	2.7
169.01407	18.4
170.01953	2.3
225.05614	8.6
238.60645	2.2
301.03683	5.1
313.05832	6.5
347.20895	3.0
371.20850	3.2
448.35931	2.0
503.25000	57.2
504.25296	4.2
528.35229	2.2
539.11279	5.5
539.22797	100.0
539.34259	10.1
540.23230	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	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.0
59.01375	15.4
61.98828	24.4
67.01918	0.9
69.60252	2.3
69.60682	3.4
71.01383	10.2
72.99303	1.1
73.02950	4.9
73.92718	0.8
75.00854	1.5
83.01382	2.7
85.02963	4.9
87.00895	1.9
88.98788	1.3
89.02438	6.6
95.01400	2.7
96.96029	5.1
97.42245	0.8
98.20668	0.8
99.00874	1.7
101.02423	8.5
107.01389	2.5
109.02923	1.0
109.77692	0.9
111.00880	2.3
113.02441	4.4
116.05042	1.2
117.05345	1.0
119.03503	1.6
121.02963	1.2
123.00879	8.6
123.04541	2.8
124.01701	1.6
125.02440	19.2
131.03484	2.7
136.98819	1.2
137.02409	1.2
138.03236	2.4
138.10373	0.7
139.00392	3.9
140.01144	2.4
145.02898	1.6
149.04549	1.9
149.05841	1.1
151.00356	6.9
152.01122	1.0
153.01924	4.4
153.05560	1.9
154.02686	0.9
160.04071	1.9
161.04494	3.4
163.03967	1.0
165.01855	0.9
168.00644	2.9
168.04237	1.4
169.01425	24.9
170.01654	0.8
175.03993	0.9
209.02800	1.2
209.06067	6.9
211.02454	2.8
239.03801	2.5
265.08563	1.1
271.02145	0.9
271.04697	2.6
273.07721	1.0
285.04031	0.8
297.06339	1.4
300.02884	1.5
301.03421	1.7
305.08798	1.3
313.05679	1.7
315.05148	1.2
347.20685	9.8
355.09467	0.9
371.20779	1.2
459.14713	2.0
474.78195	0.9
477.09888	1.2
479.24759	3.0
495.18604	1.7
503.15897	3.7
503.25055	20.2
504.06839	0.8
504.25378	1.7
539.10919	3.6
539.21820	100.0
540.22113	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	539.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84851	0.8
57.03445	10.1
58.00590	1.1
59.01376	45.7
61.98830	2.0
69.03461	2.0
71.01378	28.1
71.60156	1.0
72.99298	1.3
73.02952	4.8
75.00880	2.6
79.95741	3.8
83.01390	2.6
85.02924	4.4
87.00877	1.8
88.98765	1.0
89.02442	39.9
93.03449	1.7
95.01383	1.9
95.95224	1.3
96.96006	100.0
97.02943	1.6
99.00848	1.6
101.02437	14.8
102.02766	1.1
109.02955	1.3
113.02464	8.1
119.03490	4.2
120.01257	2.4
121.02929	1.1
123.00891	1.5
123.04549	1.1
125.02437	12.5
125.09708	2.1
131.03513	14.6
137.02473	3.1
139.50089	0.9
143.03476	2.2
149.04550	14.9
158.82669	0.9
161.02428	1.2
161.04562	3.2
162.03229	2.0
169.01364	1.6
177.05536	1.9
179.05608	1.8
181.04956	1.1
184.91330	1.0
185.11821	59.1
186.12154	1.5
191.05603	5.0
195.06747	1.2
209.11777	1.6
249.08882	0.8
273.11548	4.2
291.12732	1.5
293.08731	16.3
347.17270	1.4
377.15918	2.8
435.16910	2.0
453.17856	12.1
454.18185	1.4
479.21286	18.3
495.19000	59.4
496.19571	3.7
521.17017	2.0
539.20966	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	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77155	0.5
58.00590	0.6
59.01369	1.4
61.98826	0.8
71.01373	2.1
71.57896	0.8
72.00909	12.5
83.08306	0.6
85.02953	1.7
87.00886	2.9
89.02428	1.2
95.01335	0.6
96.96015	4.7
101.02424	1.6
103.05535	1.0
113.02475	1.1
119.03506	0.6
119.05064	0.5
120.99607	0.4
121.02951	1.4
125.02384	0.6
145.02963	0.9
147.04518	38.1
148.04912	0.9
149.02452	8.4
150.03221	16.5
161.02426	0.9
161.04532	2.7
162.03166	1.0
163.03836	0.6
164.04828	5.1
164.07158	100.0
165.04073	3.9
165.05548	37.5
165.07632	1.5
166.05902	0.8
180.04305	2.2
195.06625	18.5
198.07765	0.9
216.76039	0.5
243.45650	0.5
245.00891	0.7
298.03268	0.6
309.11844	0.9
327.10846	16.3
328.11240	1.0
334.11707	0.7
357.11987	1.0
359.02002	0.5
478.66931	0.6
540.15656	1.6
541.15820	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	540.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.00891	0.2
65.10904	0.2
69.93907	0.2
70.72010	0.6
80.17741	0.2
85.91676	0.2
88.27245	0.2
98.80769	0.2
108.73666	0.2
211.03319	0.2
294.21698	0.3
295.79825	0.2
455.35242	9.8
456.35483	0.8
498.87125	0.2
540.33014	60.3
541.33374	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	541.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92347	0.3
52.51578	0.3
59.01378	2.6
61.98831	2.1
69.30019	1.9
69.30443	1.2
71.01377	1.7
73.02933	1.0
79.95722	0.3
83.01385	0.9
85.02930	0.8
87.00930	0.3
89.02428	0.9
96.96016	1.2
97.02970	0.4
99.00860	0.4
101.02419	0.6
103.99828	0.3
122.03725	0.4
123.00913	0.5
123.04515	6.4
125.02419	0.9
139.11269	0.5
145.02959	0.4
151.00325	0.5
153.05557	6.7
169.01419	0.9
178.77205	0.4
179.10832	0.4
181.12231	0.4
183.10167	0.6
225.11172	0.7
243.12306	0.8
254.99092	0.5
255.17133	0.3
257.00909	0.5
269.98026	6.5
270.98413	0.4
282.98718	0.4
285.00378	6.5
286.00912	0.4
297.97513	22.9
298.98062	1.4
312.99863	45.2
313.97247	0.4
314.00449	3.0
328.02197	50.0
329.02753	4.1
343.04544	100.0
344.04922	5.2
349.22253	0.4
387.16516	0.4
479.83344	0.3
481.26477	1.1
491.08298	4.1
541.22931	10.5
541.32788	0.5
541.34351	0.5
542.23657	0.6
566.30249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
67.02589	0.3
69.42874	2.3
71.01373	0.7
79.95750	0.3
89.02486	0.3
90.77755	0.3
98.20678	0.5
103.92415	0.3
113.02407	0.5
120.99648	100.0
122.00000	0.7
146.51872	0.2
151.00241	0.3
160.01630	0.3
181.05125	0.7
192.99625	0.7
200.07967	0.3
223.04282	0.3
241.05409	0.6
503.25079	0.6
541.13959	0.9
541.22412	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	3.7
59.01376	82.4
60.99302	2.6
61.98830	8.6
65.75065	1.4
68.49481	1.5
70.74370	3.5
70.74730	2.6
71.01380	69.1
72.99296	3.6
73.02951	3.1
74.53170	1.4
83.01379	1.9
85.02937	8.0
85.05502	1.5
86.82198	1.7
87.00861	5.2
88.98804	17.7
89.02440	100.0
95.01376	3.1
96.37123	1.5
96.95998	13.9
97.02963	1.5
99.00868	2.9
101.02448	37.5
108.79472	1.5
109.02988	2.9
113.02444	29.7
117.03458	1.5
119.03500	43.7
123.00877	1.9
125.02402	4.6
131.03525	8.4
137.02501	1.9
143.03485	10.6
143.52603	1.4
149.04529	5.7
150.03229	2.6
151.03979	3.7
161.02457	2.6
161.04541	14.6
165.01894	1.7
169.01389	1.8
179.05602	57.4
181.05098	1.9
183.06631	2.4
190.05167	1.5
195.04533	2.4
203.03464	2.3
212.04758	3.1
213.05522	13.6
223.03903	3.2
224.04613	2.6
229.01407	1.8
231.02791	2.5
231.63701	1.8
240.04233	6.5
240.07928	3.3
241.05045	66.2
242.05374	3.0
249.04112	2.0
253.05048	2.5
255.06671	20.9
256.07394	45.8
257.07593	2.2
268.07709	1.7
270.08942	14.1
271.09714	61.4
272.10205	3.2
275.01913	8.5
283.09598	1.8
300.99783	6.4
301.10754	16.5
386.77252	1.7
481.22882	5.5
509.05481	3.3
540.27985	2.8
541.15533	11.0
541.27649	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.1
59.01375	78.8
61.98827	3.2
70.73550	3.1
71.01378	55.3
71.82135	1.2
72.99310	4.6
73.02932	3.0
83.01380	2.0
85.02952	7.1
87.00885	5.7
89.02438	100.0
91.75930	1.4
95.01373	5.0
96.95998	12.7
99.00901	1.8
101.02436	26.3
107.17743	1.4
113.02444	26.9
115.90865	1.5
119.03490	35.8
119.04330	2.5
123.00891	3.0
125.02426	5.7
126.25000	1.3
129.42804	1.3
131.03499	6.7
136.99130	1.4
143.03505	7.4
145.03000	1.4
149.04558	6.4
150.03244	1.7
151.03999	2.6
161.02443	2.3
161.04529	13.3
165.01865	2.8
165.05530	2.2
167.03488	1.6
169.01369	2.7
169.12367	1.4
179.05598	56.3
183.04495	1.5
185.05991	2.4
191.03545	1.9
195.04408	1.4
197.06027	2.1
203.03610	1.5
212.04791	1.5
213.05539	12.9
217.01414	1.8
223.03940	1.9
224.04669	1.8
225.05560	2.9
227.07112	1.5
229.01367	2.6
240.04253	9.0
240.07867	2.6
241.05043	58.9
242.05389	1.7
249.03967	3.7
255.06569	17.9
256.07346	34.2
257.07855	1.6
270.08932	14.4
271.09723	54.3
272.10107	1.9
275.02039	9.6
300.99930	6.1
301.10767	15.9
349.18658	2.1
541.14948	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	541.2423
Annotation	Sapxanthone
Peak:m/z	Relative Intensity
50.49046	1.8
59.01376	6.6
60.99299	6.5
69.28781	16.0
71.01378	5.3
88.98803	36.4
89.02414	4.3
96.95998	6.4
98.19917	2.8
101.02406	2.4
116.51611	1.9
123.00877	5.6
125.02428	5.8
128.66499	1.6
140.01125	2.2
146.74481	1.6
149.04579	1.9
151.00342	2.5
154.26544	1.7
161.72578	1.8
169.01421	7.6
187.13422	8.7
211.02448	1.9
271.04443	2.6
297.97531	3.6
312.99915	6.9
328.02216	4.3
461.07050	10.5
541.23615	100.0
542.24121	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	541.242
Annotation	Sapxanthone
Peak:m/z	Relative Intensity
59.01375	10.6
61.98824	3.3
64.97512	0.8
68.89839	0.9
69.29575	4.9
69.30003	3.5
71.01387	8.3
73.02940	1.9
75.00817	0.8
83.01393	0.9
85.02950	2.2
89.02441	9.0
96.96031	1.5
98.20710	1.5
99.00880	1.8
101.02419	7.2
106.57561	0.9
113.02431	3.0
119.03496	1.5
122.60519	0.9
127.15092	0.8
136.66676	0.9
139.04076	1.1
142.06607	1.1
149.04532	2.0
155.32600	0.9
161.04512	2.9
167.44202	0.9
180.05324	0.9
186.05518	1.2
242.83749	0.9
335.13522	1.3
373.22458	2.3
423.60367	1.0
431.25168	1.1
448.15100	2.7
497.24268	1.5
505.26511	58.3
506.26813	3.9
541.24188	100.0
542.17572	1.3
542.24585	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	541.3152
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
54.47480	3.2
55.17980	2.8
57.03449	3.7
59.01379	40.2
61.98829	39.4
69.29243	30.8
71.01382	23.5
72.99344	3.1
73.02942	12.7
73.14388	2.8
75.00861	5.7
78.95899	4.3
79.95723	8.1
85.02944	11.3
87.00905	6.0
89.02438	9.8
96.95998	24.5
98.20657	6.6
99.00906	5.0
101.02432	11.4
101.89345	2.9
113.02449	11.7
115.03970	3.1
119.03529	3.8
119.05009	3.5
120.70119	2.9
125.02500	6.7
131.03500	3.0
137.02330	2.7
141.61557	3.3
149.04565	3.5
161.04489	6.7
163.04022	3.7
289.94943	3.3
349.22250	12.7
377.46173	3.5
423.27457	3.4
481.26718	6.5
505.33807	31.5
540.74963	5.5
541.23956	13.5
541.31573	100.0
542.31879	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	541.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.5
55.63307	2.2
59.01377	54.4
61.41856	2.1
61.98839	12.4
62.92210	2.1
63.27400	2.3
71.01379	35.8
71.61417	2.9
72.99358	3.7
73.02930	12.2
75.00853	3.8
79.95715	4.0
83.01383	7.2
85.02938	17.0
87.00887	3.6
88.22466	2.4
89.02436	16.0
93.08007	3.0
96.96014	18.7
97.02973	3.2
99.00903	5.2
101.02436	29.1
113.02463	18.4
113.06124	4.2
115.22346	2.2
119.03532	3.8
123.04474	2.8
125.02444	5.1
125.32252	2.9
129.69702	2.2
131.03468	4.3
134.85004	2.2
159.02942	3.3
161.04544	13.1
169.01462	3.0
201.11316	5.5
225.09749	2.4
261.85837	2.4
274.29172	2.3
349.22336	64.8
350.22638	4.2
373.22128	2.8
375.27548	3.1
382.07855	2.4
387.88605	2.4
481.26361	11.6
505.26459	28.2
505.33798	32.6
523.26111	2.4
541.23962	45.2
541.31482	100.0
542.24603	3.2
542.31744	6.0
568.79449	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	541.3162
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
53.42941	2.2
57.69820	2.4
59.01380	50.9
61.98825	21.5
66.96522	2.3
71.01380	14.4
71.63083	2.2
73.02946	5.0
79.95720	2.8
83.01461	2.5
85.02947	7.2
87.00874	5.6
88.82571	2.4
89.02448	7.6
96.96020	11.5
101.02436	10.7
113.02454	7.0
125.02437	4.4
154.02660	5.5
161.04532	2.6
169.05042	3.6
179.05655	2.7
189.11429	2.9
230.29834	2.5
230.31883	4.1
269.91037	2.7
302.96661	2.5
410.57153	2.4
503.24924	38.0
503.31818	4.1
504.25015	2.9
505.25604	9.5
505.33792	11.6
535.56281	2.4
541.22424	50.8
541.31396	100.0
542.31586	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	544.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03442	3.9
58.00590	1.5
59.01376	41.0
61.98827	12.0
68.02533	100.0
69.30862	5.2
69.31271	1.4
70.14848	0.8
70.23389	0.7
71.01377	41.8
72.99276	2.1
73.02941	9.6
75.00875	1.3
83.01389	6.1
85.02943	18.9
87.00861	4.2
89.02442	19.3
95.01380	3.8
96.96000	2.5
97.02940	1.3
99.00877	3.7
101.02433	28.4
109.69753	0.8
113.02441	18.0
119.03493	5.6
125.02437	2.7
131.03529	0.9
131.89647	1.0
137.02451	1.4
143.03487	3.0
149.04564	1.2
152.62292	0.8
158.06128	1.1
159.02957	2.4
161.04541	25.5
177.01971	1.3
179.05685	1.6
201.51988	0.7
209.07364	27.2
209.11826	1.4
239.08443	5.2
274.44952	0.9
311.10324	2.0
322.13266	20.6
323.13480	2.2
378.55460	0.8
401.13730	31.5
402.14310	1.7
415.15280	5.7
445.34210	1.0
484.18491	39.3
485.18381	1.7
507.35931	1.1
508.35675	1.7
543.32751	2.4
544.12708	0.9
544.26001	1.3
544.33423	10.2
545.33087	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	544.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88325	0.3
59.01383	1.5
59.13358	0.4
60.18096	0.4
61.98827	100.0
62.26319	0.4
65.14413	0.4
66.05470	0.4
71.59655	0.5
90.48495	0.4
96.95995	0.4
227.20009	0.4
247.60164	0.4
280.53003	0.4
431.45157	0.5
562.65564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.8
59.01378	14.1
61.98821	2.0
69.03455	0.9
69.20631	0.8
71.01385	6.6
71.61893	0.9
73.02933	2.5
75.00877	1.3
79.95275	1.0
79.95734	15.7
80.96503	1.4
81.95306	1.4
85.02953	3.3
87.00874	2.2
89.02439	4.8
93.03457	0.8
95.05011	1.6
96.96008	49.8
99.00892	1.7
101.02448	3.8
103.03975	2.7
103.05531	0.8
108.02178	7.3
109.02216	0.8
109.02943	10.1
113.02421	2.4
119.03505	1.9
119.04981	2.0
122.03754	1.6
123.00838	0.9
123.03718	1.2
123.04519	12.2
125.02387	2.3
133.02921	1.8
134.03732	10.9
135.04500	2.9
137.02423	1.6
137.06053	3.0
145.02940	2.7
145.05009	0.9
146.03719	14.0
147.04497	9.3
149.02478	1.3
149.06059	14.6
150.03188	3.8
151.00323	1.3
151.04016	6.0
153.05559	1.3
160.01585	2.0
161.02406	1.2
161.04659	1.0
161.06029	7.5
162.03165	1.0
163.06113	10.7
164.03522	0.8
164.04803	9.2
165.05489	2.5
167.07140	9.8
169.01392	2.4
175.04018	3.5
176.01065	1.1
177.01913	17.1
177.05501	1.0
179.05771	1.5
179.07118	31.0
180.07390	0.7
181.04999	5.3
181.86354	0.7
187.03944	1.4
189.01921	31.3
190.02687	8.5
191.03453	8.1
195.06573	2.2
196.47708	3.8
196.97913	2.3
203.03539	4.0
203.10736	2.0
203.98914	2.0
204.49132	1.3
216.00679	5.4
217.01395	30.1
218.02080	1.5
219.02948	10.4
225.05821	0.9
228.04262	1.2
231.02951	9.3
233.04649	0.7
243.96820	8.6
244.46906	3.8
244.96765	3.1
271.06122	5.3
278.69785	0.8
281.04572	1.9
289.07114	2.8
297.03989	2.0
297.07550	1.8
297.97513	1.3
298.98114	1.4
300.02731	0.8
301.07123	0.9
301.10776	1.1
311.11362	5.0
312.12100	1.4
312.99774	3.2
313.07190	16.5
313.12839	15.2
314.00342	1.9
314.07428	1.0
315.01141	0.8
323.05484	1.4
326.04227	0.8
328.02069	1.4
329.02676	1.6
330.03372	1.0
341.06647	47.5
342.06879	2.0
345.29034	0.7
355.08154	2.8
367.13889	8.1
393.02902	4.3
423.61313	0.8
461.18274	6.4
464.15619	0.9
465.11856	13.7
473.17908	4.8
491.19156	10.6
509.21042	16.2
544.24152	1.6
545.07452	100.0
545.21326	3.3
545.24994	2.3
546.07770	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	545.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32306	0.1
59.01392	0.7
61.98820	1.5
69.55927	0.5
69.56359	0.4
71.01379	0.5
73.02964	0.1
75.00872	0.1
79.95736	2.4
85.02918	0.2
87.00911	0.2
88.98801	0.3
89.02457	0.4
96.96004	100.0
97.95940	0.2
98.95580	0.2
101.02451	0.3
109.02916	0.2
111.00877	0.1
123.00812	0.2
125.02452	0.3
147.84355	0.1
168.00620	0.2
169.01376	0.5
204.34175	0.1
209.03622	0.1
211.02460	0.8
271.04532	0.7
295.10361	0.4
325.16629	0.1
383.09412	0.2
447.11423	3.1
485.05841	0.8
509.13324	0.3
545.17877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.9
59.01375	21.5
61.98827	23.7
69.43418	2.1
71.01376	22.8
71.59992	2.2
72.99294	3.4
79.95721	3.1
82.95406	2.5
83.01379	39.3
85.02941	6.1
87.00862	4.6
88.98789	5.1
89.02436	16.8
96.29591	1.9
96.96006	100.0
96.96964	4.4
98.95586	4.2
99.00870	17.7
101.02446	9.3
111.00871	9.3
113.02437	4.9
119.03458	5.2
123.00912	2.4
124.98777	7.2
125.02395	3.2
127.00368	66.4
127.33360	1.8
129.01927	8.8
145.01410	7.2
154.99861	4.2
155.47455	2.2
157.01360	4.2
173.00868	7.2
179.03429	2.1
179.05621	4.3
275.01910	3.4
300.99960	3.8
335.06052	14.5
336.06763	3.4
342.27530	1.8
349.74139	2.1
385.90353	2.5
573.09863	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	545.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51801	0.3
51.52753	0.3
54.08208	0.3
57.03443	0.9
58.00572	0.3
59.01376	7.1
61.98827	3.4
62.02736	0.4
63.99855	0.3
65.00326	1.9
68.42711	0.3
71.01381	3.7
72.99322	0.5
73.02942	0.8
75.00874	1.2
77.03056	0.3
78.95889	1.4
79.95731	3.3
81.03453	1.1
83.01374	2.0
85.02959	1.6
87.00880	0.6
89.02454	2.0
93.03454	1.4
95.01382	0.4
96.96008	100.0
98.95576	0.3
99.00866	1.0
99.04534	0.3
101.02431	1.6
102.98592	0.3
107.01387	3.5
109.02982	0.5
113.02441	2.2
117.03471	1.4
119.03529	0.5
119.05029	0.4
121.02929	0.5
123.04519	5.1
125.02438	6.7
127.04008	0.4
131.01422	0.4
135.04520	0.5
137.02428	2.5
143.03458	0.3
145.02957	4.0
149.02403	0.5
151.00366	14.3
151.04007	0.6
151.07745	0.3
152.00752	0.3
161.02397	0.4
161.09691	0.5
163.03999	0.7
163.11441	0.3
165.01904	0.4
165.05502	0.3
167.03490	11.1
167.04932	0.6
172.05246	0.8
173.06038	0.4
175.00352	2.0
177.01901	2.7
179.03404	0.4
179.05637	0.4
179.10779	0.4
187.04065	0.5
187.07640	8.4
187.11267	0.5
191.03484	1.6
193.01326	0.3
196.30069	0.3
200.04782	0.6
201.05562	0.8
202.06393	1.6
209.04501	0.6
213.07378	0.3
213.09192	1.3
215.07130	6.3
223.13396	0.8
227.03453	0.3
231.10185	1.8
232.03923	0.3
236.07802	0.4
237.14912	0.4
246.83769	0.3
249.06265	0.4
255.02843	0.4
267.12354	0.5
271.02438	0.7
294.90863	0.3
295.10028	0.5
300.02585	0.5
301.03549	4.0
302.03680	0.4
322.13245	0.5
323.13501	0.8
324.12759	0.4
329.08643	0.6
339.08795	3.5
365.10291	4.2
371.24420	0.9
375.94833	0.3
383.11377	12.3
384.11761	0.4
389.10175	0.4
424.48148	0.4
442.16562	0.9
464.16153	1.0
464.66031	0.7
501.13794	3.3
507.27173	0.7
509.19852	0.5
527.15894	0.8
545.15540	0.6
545.22656	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	545.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01865	12.4
57.28289	16.0
59.01369	76.9
60.91465	15.8
61.98834	32.4
69.25864	100.0
69.26268	29.7
98.20634	33.6
99.03048	13.5
108.71049	14.5
137.92523	13.7
143.51482	13.1
184.05241	29.0
184.83656	13.5
209.11806	62.1
217.63422	14.5
227.12787	27.2
291.19614	23.0
294.28961	14.6
300.79871	15.8
301.19943	17.8
322.77975	14.3
345.22751	24.1
473.25162	21.8
491.26407	16.9
509.27762	21.0
527.29565	21.0
545.32623	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3483
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
51.60014	0.7
56.16529	0.8
59.01377	100.0
61.98829	2.7
71.58471	1.0
82.26826	0.9
166.56509	0.8
172.68335	0.9
174.20518	1.0
210.59540	0.8
222.95062	0.9
286.98483	0.8
316.49976	0.8
341.72849	0.9
423.32672	12.9
427.31671	1.1
441.33847	4.9
455.31796	2.1
471.35007	1.3
485.32733	22.6
486.33026	1.8
491.94727	1.1
545.27405	4.3
545.35504	1.6
551.06897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
61.98829	14.7
62.94536	0.5
63.99261	0.6
66.38998	0.5
69.36285	0.8
69.36682	3.6
71.01377	3.5
72.99319	0.6
81.90112	0.6
83.01392	0.9
85.02932	1.4
87.00867	1.1
89.02396	1.2
95.01363	1.0
96.95993	4.0
97.02946	0.7
99.00887	0.5
101.02427	1.3
107.01387	3.3
110.00120	0.7
110.62162	0.6
111.00889	3.8
113.02465	1.5
115.00365	1.0
123.00853	4.3
124.01688	2.0
125.02444	24.0
127.00343	1.3
136.98799	2.3
137.02461	1.1
139.00371	8.5
139.04034	0.9
140.01161	7.7
142.85844	0.5
151.00352	3.3
151.03992	0.7
153.01927	5.3
154.02737	5.0
155.03470	2.5
164.04829	0.6
165.01918	0.8
167.03496	1.6
168.00636	10.9
168.04277	1.5
169.01416	33.3
169.05054	1.7
170.01714	0.8
175.02443	1.6
179.03506	1.0
183.02963	2.1
192.33995	0.6
196.12793	0.6
211.02403	1.3
223.02420	0.5
241.03329	0.9
242.72067	0.5
253.82750	0.5
267.93771	0.5
289.07190	4.1
297.06097	4.2
300.99677	0.6
313.05630	7.3
327.07108	1.3
483.11423	100.0
484.11652	5.7
546.16931	1.8
547.16260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44592	0.4
57.03438	1.2
59.01381	4.3
60.10384	0.5
61.98822	2.6
69.03468	0.6
71.01379	6.7
71.16603	0.7
71.16904	0.5
72.99304	1.4
73.02953	1.0
75.00857	0.6
81.03446	1.7
83.01385	3.2
85.02952	1.4
87.00873	10.0
87.95512	0.5
88.98773	0.7
89.02437	1.5
93.03462	1.3
95.01388	0.6
95.05033	2.0
96.95995	5.1
97.02938	3.7
101.02450	1.9
109.02944	14.9
111.00865	0.6
112.98712	0.5
113.02411	1.4
115.00370	19.7
121.02978	2.9
122.03752	0.6
123.00942	0.6
123.04526	9.9
125.02446	11.4
133.06557	0.6
135.04530	1.9
137.02437	6.6
138.03242	0.5
139.00363	0.6
139.04024	2.5
145.02927	0.8
146.03705	1.0
149.02422	4.0
151.04018	6.2
152.03487	0.6
159.04506	2.2
160.05318	0.9
161.02408	1.3
161.06097	3.8
162.03194	1.6
163.03995	1.7
164.01146	1.9
165.01903	3.3
167.03503	1.6
169.01378	0.6
175.02477	32.7
175.03920	2.2
175.07587	1.1
177.01909	0.6
177.05624	1.2
179.03545	4.6
179.05086	0.6
179.05585	0.5
185.06050	0.7
187.03995	3.3
188.04727	2.4
201.05602	0.6
202.06319	1.4
203.03508	0.6
203.07124	10.9
205.05055	8.7
206.08195	0.8
212.04745	0.7
218.08228	1.6
221.08159	1.8
227.07153	1.9
231.03001	1.0
245.08153	15.6
246.08275	0.7
247.06117	1.2
248.09236	0.6
256.08258	12.6
271.05963	0.5
289.07159	100.0
290.07538	3.5
300.99936	0.6
326.13925	1.0
370.08206	0.8
370.12921	15.8
370.17371	1.0
371.13165	0.6
382.80115	0.5
483.11362	1.7
546.16125	37.0
547.16174	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	547.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35792	0.4
53.78869	0.4
55.01876	0.7
57.03452	0.9
58.00614	0.4
59.01376	14.4
61.98830	2.0
66.58728	0.4
67.01900	0.5
70.09804	0.4
70.54810	0.4
71.01378	20.0
72.99305	1.8
73.02944	2.6
75.00869	0.6
80.29317	0.4
83.01379	5.2
85.02954	3.0
87.00871	35.4
89.02442	2.2
93.03455	0.5
95.01403	0.7
96.96008	3.3
98.19821	0.7
99.00875	1.1
101.02423	2.6
105.24547	0.4
105.62964	0.4
111.00871	7.9
112.98810	1.5
113.02457	3.5
115.00369	56.7
119.03513	1.0
122.06094	0.7
125.02459	0.9
127.00371	1.7
128.44781	0.4
131.03528	0.9
134.21681	0.4
137.02490	0.4
139.00372	13.7
151.00314	0.5
157.01411	26.9
161.04565	0.9
165.01978	0.5
174.01698	0.8
174.05603	0.6
175.02464	100.0
176.02840	1.4
179.05615	1.7
179.10797	1.0
208.46089	0.4
221.06659	1.0
250.06506	0.4
251.94330	0.4
252.09026	0.5
253.09805	0.8
265.09848	0.4
266.06934	0.5
267.11356	1.1
268.11728	0.4
279.07767	0.9
280.08423	2.8
293.09244	0.4
295.10883	8.1
297.12424	1.5
309.12335	1.0
323.10403	0.9
325.11859	1.9
327.10086	0.7
327.13467	4.4
339.09790	3.8
353.11508	1.2
355.12866	1.1
367.12924	0.6
369.10794	0.9
371.12439	10.8
372.12653	0.6
381.14337	0.4
391.12796	1.4
397.10306	2.1
399.11893	1.8
401.13416	1.7
409.13919	0.6
413.13452	0.8
429.12906	5.7
431.14560	1.7
435.11893	1.7
443.14679	1.0
453.13031	0.8
467.14557	8.1
468.14514	0.6
485.15573	9.4
486.16113	0.8
487.13495	4.8
499.13693	0.7
511.13431	1.5
529.14301	1.1
547.15692	2.6
547.22467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03453	0.8
58.00577	0.8
59.01374	14.4
59.52395	0.3
61.98829	0.9
70.06527	0.5
70.06923	1.0
71.01376	19.1
72.99308	2.1
73.02939	2.3
75.00868	0.4
79.95771	0.4
82.95421	1.1
83.01377	1.4
85.02947	3.1
87.00871	29.4
88.98819	0.4
89.02445	4.3
93.03468	0.5
95.01380	0.8
96.96013	5.0
97.02955	0.5
99.00875	0.9
101.02435	3.7
111.00860	1.2
112.98810	0.9
113.02448	4.0
115.00366	51.2
115.07719	0.3
119.03475	1.8
119.05029	0.4
125.02451	1.1
127.00375	1.0
129.01892	0.4
131.03484	0.8
137.02440	1.2
138.51520	0.3
139.00374	2.6
143.03494	0.6
149.04601	0.4
157.01399	3.9
161.04544	2.0
161.09700	0.5
165.01958	0.7
167.03462	0.7
175.02460	100.0
176.02769	1.5
179.05586	4.3
179.10782	1.3
203.10727	1.1
204.11018	0.6
221.06624	1.7
223.09738	0.5
263.07520	0.4
280.08463	0.5
293.09210	0.4
295.10934	1.1
297.12549	0.4
325.12051	0.6
327.13690	0.7
339.09692	0.4
342.85339	0.3
352.26877	0.4
353.11411	0.5
367.11725	1.9
371.12466	2.8
385.13278	0.9
397.10287	1.0
401.13403	0.5
429.12970	1.0
485.16141	0.7
487.13766	0.6
547.20599	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1663
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
52.18617	0.6
58.41652	0.7
59.01382	4.9
61.98826	5.3
69.63559	1.6
69.63980	2.3
71.01369	6.0
72.99274	1.2
73.02943	3.7
73.39294	0.8
75.00872	2.2
75.16995	0.6
79.82413	0.6
79.95745	0.6
83.01382	2.1
85.02941	3.8
87.00874	7.5
88.98801	7.9
89.02449	2.4
93.51527	0.6
95.01323	0.6
95.32478	0.5
96.95374	1.0
96.96004	19.9
98.95584	6.4
98.96431	1.3
99.00909	1.4
101.02459	2.9
112.98823	0.6
113.02462	2.0
113.99564	2.7
115.00369	14.5
116.92887	0.6
119.27987	0.7
123.00873	0.9
123.04504	0.6
125.02429	2.4
127.00330	0.8
137.02428	0.8
149.02443	3.2
151.04015	1.2
152.03558	0.9
153.05533	1.7
163.04021	1.3
164.04822	2.9
165.05504	0.8
169.01469	0.8
174.01674	21.0
175.02457	11.4
177.01884	1.1
177.38716	0.6
178.06299	0.6
179.07021	0.8
189.01949	1.8
190.02655	1.0
191.03563	0.8
193.08833	0.7
195.06598	0.9
205.04996	1.1
208.03725	2.5
209.08107	1.3
210.08815	0.7
223.06120	7.3
235.64285	0.7
239.09174	1.2
242.31682	0.7
251.09193	1.1
265.07169	0.9
267.08929	3.8
275.02002	1.2
281.10498	0.6
289.06949	0.9
295.08255	3.4
300.99799	3.1
301.10886	0.7
322.98108	0.7
325.09369	2.9
341.06537	1.0
373.07611	1.0
385.11121	1.6
422.42435	0.6
484.12399	0.7
487.14441	5.3
547.16663	100.0
548.16949	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	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
59.01366	1.7
69.03426	0.5
70.02600	0.4
70.10409	1.9
71.01382	2.9
72.99329	1.1
73.02956	2.7
80.32740	0.5
81.03472	0.6
83.01394	1.5
85.02944	3.2
87.00874	39.0
88.01225	0.6
89.02428	0.6
96.96009	5.9
97.02943	0.7
98.20546	0.6
99.00867	4.3
101.02446	2.3
108.02200	0.7
109.02945	0.7
111.00874	10.3
112.98830	1.2
113.02456	1.5
114.12341	0.5
117.01923	0.6
123.00849	1.3
125.02466	0.5
127.03999	0.8
129.01945	2.2
131.03487	1.2
137.02441	0.6
138.03221	8.6
142.99847	1.0
147.03000	2.0
149.02452	1.7
151.03989	1.3
153.05569	16.9
161.02440	6.1
163.04070	1.2
164.04776	9.1
166.02702	1.2
166.06296	0.6
173.00928	6.6
174.01730	1.2
175.03999	0.9
176.04768	5.6
177.01921	0.9
177.05388	0.5
178.06325	0.9
179.03526	10.6
179.07117	23.1
180.07631	0.5
181.05086	2.7
190.02577	0.6
190.53459	0.5
191.00502	0.5
191.01939	2.9
191.03529	1.9
191.05583	0.6
191.07140	3.5
192.04266	1.4
192.07680	0.6
193.05032	0.7
194.05832	17.9
195.06429	0.9
203.03514	0.8
205.01477	0.5
205.05112	1.0
205.07091	0.5
206.05832	0.8
207.03091	0.8
207.06599	1.6
208.03792	0.6
209.08183	29.5
210.08507	1.0
217.04964	0.6
218.05855	0.5
219.02873	1.7
220.03661	1.0
222.05359	1.5
222.82330	0.6
223.06081	1.5
231.02939	1.5
233.04541	1.2
234.05244	2.6
235.06064	1.0
236.06921	0.8
237.07605	1.4
245.04439	0.9
246.05342	1.2
247.05991	1.4
249.03949	2.8
249.07640	3.9
250.04764	2.0
261.07651	1.5
264.03644	0.4
264.06372	7.8
265.07144	33.3
266.07410	1.6
276.06497	0.6
279.08737	1.3
291.08719	1.0
309.09967	1.3
383.09625	0.7
399.12762	0.6
411.12939	33.9
412.13345	1.7
446.18741	0.5
471.15121	4.5
472.14792	0.6
529.15704	0.8
547.16656	100.0
548.16998	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	547.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
59.01377	3.3
61.98826	100.0
68.02522	1.1
69.81341	0.1
71.01373	1.6
72.01728	0.1
72.99299	0.2
73.02937	0.6
75.00874	0.2
78.10590	0.1
78.65749	0.1
83.01409	0.3
85.02969	0.6
87.00910	0.3
89.02434	1.2
95.01415	0.2
96.96018	0.6
97.02959	0.2
99.00890	0.5
101.02431	1.2
109.03007	0.2
113.02457	0.8
119.03543	0.1
123.04475	0.1
125.02457	0.4
135.04498	0.7
147.40059	0.1
149.04552	0.2
161.02451	0.1
161.04564	0.4
165.01854	0.1
167.03554	0.2
177.01941	0.4
179.03447	0.2
186.49193	0.1
191.05733	0.1
209.19122	0.3
211.07141	0.3
212.07506	0.2
253.18130	0.4
293.08624	0.2
294.13187	0.1
299.99344	0.1
315.70169	0.1
324.13312	0.2
325.13434	0.4
385.12930	0.2
388.96677	0.1
403.14008	0.2
404.13849	0.4
415.23361	0.3
487.18594	0.5
487.32910	0.6
505.33951	0.4
547.27350	2.8
548.27893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60995	0.2
51.79293	0.2
55.01853	0.2
57.03444	0.2
59.01376	8.2
61.98826	100.0
66.15093	0.2
68.02527	1.0
69.03432	0.2
71.01376	2.3
72.99350	0.2
73.02944	0.5
73.52971	0.2
76.03429	0.2
76.54787	0.2
83.01408	0.5
85.02939	1.1
87.00863	0.3
89.02439	0.9
89.39279	0.2
95.01366	0.4
96.96017	0.9
97.25487	0.2
99.00871	0.5
101.02436	1.4
113.02457	1.2
119.03519	0.3
123.04517	0.3
125.02473	0.6
135.04529	0.9
136.64101	0.2
141.49812	0.2
151.04068	0.3
160.84180	0.3
161.04579	0.7
162.84018	0.3
167.03497	0.6
217.06523	0.3
230.30508	0.2
288.06396	0.3
343.28421	0.3
384.52182	0.2
385.08279	0.2
385.13058	0.7
403.12921	0.2
404.14145	0.3
487.18948	0.7
487.32718	3.4
504.28284	0.2
505.33652	1.6
547.27673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.9
59.01377	4.9
59.96769	0.4
61.98826	1.4
65.00318	0.9
69.22886	4.1
71.01380	3.8
72.99286	0.5
73.02931	1.1
75.00858	0.9
76.01827	0.4
81.03461	5.6
83.01384	13.5
85.02943	1.2
87.00876	0.8
87.04521	1.3
89.02446	1.5
93.03446	0.9
95.01372	0.9
95.05033	0.6
96.96005	2.9
97.02936	0.5
98.20585	1.0
98.95592	1.0
99.00861	0.7
99.04513	0.6
101.02452	1.4
107.01421	0.7
107.05025	0.5
109.02943	0.7
111.04437	0.5
112.92776	0.5
113.02446	1.9
115.00341	0.8
119.05027	1.4
121.02978	0.5
123.04520	40.9
124.04854	0.9
125.02441	77.2
126.02781	1.2
135.04515	4.0
137.02463	1.5
149.02431	1.2
150.03227	1.3
151.00363	6.9
151.04039	0.5
159.04509	0.5
161.02431	1.1
165.01944	1.8
166.02699	6.0
167.03484	100.0
168.03789	2.2
175.03983	0.8
175.07646	0.8
176.04787	3.1
177.01971	0.5
179.03490	8.6
179.10732	0.6
179.14401	0.9
181.05133	0.5
184.21434	0.5
185.06000	0.5
187.07646	0.8
191.03436	2.4
191.73441	0.4
193.06456	2.0
195.17493	0.8
197.28786	0.4
199.07832	0.4
201.02135	0.4
201.05595	0.5
203.03453	0.5
204.72417	0.4
205.08701	3.4
217.01347	0.5
221.15410	0.9
226.19003	0.5
230.05649	0.5
239.16466	3.7
241.08694	2.1
243.02956	0.5
249.06198	0.6
254.02295	0.5
255.03004	0.8
255.10178	0.6
259.09705	2.2
269.17627	0.7
270.09048	0.5
271.02493	2.4
271.06119	6.8
277.65088	0.5
281.11819	0.9
283.09653	0.4
287.05664	1.3
288.06448	3.0
293.17642	1.5
297.11301	1.7
299.12915	1.0
300.02765	3.2
301.03470	1.4
323.12894	1.3
325.10214	0.5
341.13858	1.0
343.15616	0.6
367.11786	5.2
378.35727	0.4
385.12894	73.4
386.13123	4.9
409.12881	1.1
409.81317	0.4
430.65219	0.5
450.10934	0.5
465.67096	0.8
492.55960	0.4
547.13580	2.5
547.27716	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	547.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03436	3.3
58.00592	1.7
58.32615	1.3
59.01376	49.9
61.98824	4.1
67.01890	1.7
69.03432	1.8
69.38503	3.3
69.38910	10.0
71.01002	2.7
71.01379	41.1
72.99307	4.3
73.02934	8.8
75.00866	3.0
79.95734	2.2
81.03463	2.0
82.95417	9.7
83.01382	6.2
83.05019	1.6
85.02953	19.1
86.64399	1.3
87.00868	11.7
87.04513	2.0
88.98798	2.7
89.02437	29.9
95.01385	6.3
95.05041	1.7
96.07837	1.5
96.96005	22.9
97.02953	3.9
99.00874	4.0
99.04482	2.3
101.02441	23.2
107.05017	1.4
109.02983	2.8
113.02443	31.5
115.00346	13.2
116.92874	2.6
117.01935	1.5
119.03485	14.3
120.05821	2.5
120.99623	2.3
121.02961	1.7
123.00859	1.4
123.04490	2.9
125.02454	11.8
125.06051	3.4
131.03510	3.1
133.10234	1.8
135.04515	1.7
135.11784	14.6
135.69754	1.3
137.02374	8.0
139.07674	1.5
143.03493	5.2
146.03674	2.4
146.07405	2.5
149.02399	1.6
149.04532	2.7
149.06053	1.8
151.00319	2.9
151.04005	1.9
152.04716	1.3
159.08199	2.2
159.11765	3.8
161.04533	12.8
161.09712	20.1
164.01236	1.5
165.01878	5.9
165.05539	1.9
165.95436	1.6
167.03484	5.5
169.01375	5.0
173.04558	1.3
173.06079	2.2
174.01662	2.8
175.02477	26.0
175.07504	2.2
177.12747	3.8
179.03989	1.7
179.05594	14.6
179.10759	85.6
180.11142	1.5
187.07646	1.6
189.05711	1.7
191.05681	1.7
203.10782	10.0
205.08597	4.7
217.08665	1.7
221.06659	4.5
221.11813	7.7
223.09731	100.0
224.10091	2.5
229.08679	2.2
251.12914	2.0
265.10800	10.5
300.02829	3.3
301.03452	1.7
325.12854	6.1
341.10452	2.3
347.85638	1.8
367.11887	11.0
385.15329	25.7
386.15274	1.5
453.65247	1.6
484.19150	3.8
509.16339	8.7
529.17889	1.9
547.17957	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2675
Annotation	Eupenifeldin
Peak:m/z	Relative Intensity
54.14387	11.4
59.01383	59.2
59.54585	8.6
62.17990	9.9
62.43665	10.5
69.28124	47.7
69.28551	44.2
72.16859	10.7
73.75738	9.6
90.70892	8.5
102.67361	9.3
122.43610	10.4
153.13971	11.7
153.15163	10.6
155.64816	10.6
209.11751	79.0
227.12772	20.0
351.61389	10.6
399.93875	10.5
547.26794	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	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38586	0.4
59.01376	100.0
61.98828	4.4
69.20033	0.5
70.06929	1.8
83.09493	0.5
88.00277	0.4
101.08958	0.5
104.29684	0.4
107.72289	0.5
155.93556	0.5
314.75510	0.6
406.25641	0.4
437.30917	0.6
439.32043	2.3
487.34283	10.8
488.34521	1.2
497.60767	0.5
544.72656	0.4
547.29572	0.7
547.37109	1.3
573.83002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43299	2.2
59.01376	100.0
61.98824	51.4
64.88488	2.4
71.60500	3.7
79.46024	2.9
89.25929	2.1
101.04086	2.1
101.04765	2.5
132.22218	2.2
143.01395	2.4
191.14348	4.7
221.15378	4.1
226.02258	2.5
413.37711	2.7
438.27463	4.4
467.81693	2.8
469.33203	30.2
487.34247	74.4
488.34488	7.2
547.36053	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35572	0.2
51.78728	0.2
59.01378	100.0
60.01717	0.5
61.98829	0.8
63.28979	0.2
68.45554	0.2
69.40698	1.9
81.38356	0.2
89.86287	0.2
102.35178	0.2
127.62196	0.2
163.73119	0.2
189.12959	0.3
191.14400	1.8
203.14528	0.3
221.15443	2.3
360.34616	0.2
438.27881	0.5
469.33191	7.6
470.33511	0.6
487.34207	4.9
488.35007	0.5
547.36530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0881
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.56118	0.6
59.01379	2.1
65.00316	1.5
68.61298	0.6
69.43408	2.9
69.43816	1.1
71.01386	1.4
79.95729	2.1
83.01404	1.1
85.02939	0.9
87.09238	0.5
89.02394	0.7
92.64744	0.5
93.03490	0.7
96.96014	2.5
97.72669	0.5
98.20604	0.8
101.02407	0.9
107.01407	2.9
108.02145	1.7
109.02972	1.2
113.02438	0.9
117.03465	0.6
121.02933	2.5
125.02383	0.5
130.23759	0.5
135.00858	1.2
137.02359	0.6
145.02888	1.1
148.01680	2.3
151.00365	11.2
152.00792	0.6
157.04608	0.5
163.00410	2.9
178.99844	5.7
181.12399	0.6
183.04431	0.6
187.04118	0.7
192.00571	0.9
196.47896	1.4
199.03984	0.8
203.98889	0.9
211.03986	1.1
215.03419	0.7
226.02780	1.3
227.03537	2.7
229.05038	1.1
243.02988	12.3
243.96866	2.8
244.03490	0.8
245.04504	1.1
254.02240	1.6
255.02960	27.8
256.03375	1.7
271.02457	60.7
272.02988	3.8
273.04001	1.3
283.02386	1.5
299.01920	2.1
300.02734	100.0
301.03461	45.8
302.03726	1.9
312.99820	0.7
343.04486	0.6
463.08771	4.2
505.09848	78.0
506.10153	5.5
539.04675	0.6
548.64764	0.9
549.16107	0.7
549.29449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
58.11094	0.3
59.01373	12.8
65.84123	0.3
67.75983	0.3
71.01366	2.3
73.02959	0.7
73.56199	0.3
82.33782	0.4
83.01409	0.6
85.02995	0.4
89.02442	1.8
96.96022	1.2
98.19913	0.8
101.02470	1.0
104.23943	0.3
109.02962	1.4
113.02458	0.7
119.03510	0.4
119.04983	0.4
125.02455	0.4
125.09785	0.4
132.02174	0.9
137.02452	0.7
144.02177	0.5
151.00394	0.3
155.10851	0.5
156.02171	2.2
160.01643	1.2
160.04021	4.6
161.02444	0.7
161.04416	1.8
163.04019	0.4
164.70113	0.3
171.10268	0.4
172.01631	0.8
176.01175	0.6
181.01430	0.4
184.01610	3.7
188.01109	0.9
200.01158	3.3
201.11282	2.6
204.00688	0.4
209.02470	1.1
212.01138	3.1
216.00578	0.8
218.20815	0.3
226.99951	0.4
228.00624	3.1
240.00629	10.2
241.00989	0.4
254.99437	1.3
255.02982	0.5
256.00018	2.7
281.00943	2.5
282.98840	1.2
283.99600	7.4
285.00302	1.0
310.98492	0.5
311.99091	78.9
312.99747	12.0
314.00275	0.5
324.99829	1.4
326.00690	0.5
327.01422	100.0
328.01730	4.4
335.17059	1.5
336.99854	3.8
369.02475	0.6
377.18243	0.5
531.27972	0.5
549.17651	1.4
549.29663	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	549.1248
Annotation	6,8-Di-C-arabionopyranosylluteolin
Peak:m/z	Relative Intensity
51.10907	0.6
55.01875	0.6
57.03439	1.3
59.01372	12.8
61.98831	3.2
63.02403	0.8
65.00320	1.3
71.01376	12.3
71.60351	0.7
72.01709	0.6
72.99316	2.0
73.02946	3.9
79.95736	0.6
82.95412	0.8
83.01385	2.4
85.02948	4.2
87.00866	1.8
89.02436	9.4
90.02787	0.6
93.03471	1.5
95.01392	1.5
96.96008	10.8
97.02944	0.5
99.00888	1.9
101.02448	10.7
106.85912	0.6
107.01378	3.5
108.02200	1.6
109.02968	1.9
113.02438	5.8
119.03534	2.9
119.05008	1.3
121.02957	2.5
123.04542	0.7
125.02435	2.7
131.03505	1.4
135.00935	0.6
135.04527	1.9
136.01636	0.9
137.02425	1.7
147.04469	0.8
148.01646	1.6
149.02411	0.6
149.04504	1.4
151.00359	11.6
151.03990	1.3
153.01958	0.7
161.02438	1.5
161.04565	3.3
163.00392	3.0
163.04036	1.0
164.01137	1.2
166.02631	0.9
169.01457	1.0
178.99861	5.7
179.03458	1.0
179.05582	5.2
179.10799	1.0
180.05888	0.9
181.04984	4.6
181.12457	1.0
182.05400	0.9
191.03506	0.8
198.03192	0.8
199.03999	1.3
201.01950	0.8
205.12398	0.6
211.04034	0.7
216.92455	0.6
221.06601	1.4
225.11348	1.0
226.02701	1.8
227.03471	5.5
243.02940	11.1
244.03413	1.1
245.04558	1.3
254.02184	2.3
255.02959	31.5
256.03464	1.4
267.07050	0.8
271.02454	61.8
272.02991	4.7
273.04071	0.7
275.33749	0.5
283.02521	1.0
284.03323	0.7
287.05548	0.8
299.01956	1.6
300.02722	100.0
301.03455	33.7
302.03873	1.4
343.04468	0.6
371.20700	10.4
387.14667	3.7
387.19006	0.7
387.23904	2.7
387.89380	0.6
463.08743	6.5
503.25058	5.0
505.09882	4.7
519.11169	1.4
531.11346	14.9
549.12421	79.3
549.29657	11.6
550.12897	4.2
562.71777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	4.6
61.98828	53.6
63.40670	3.1
63.83025	2.7
70.71732	9.3
118.84027	3.1
127.35766	3.3
130.30029	2.9
170.12256	3.7
170.63629	3.0
218.16188	2.8
277.21750	6.5
367.84030	4.0
489.35431	11.0
549.29877	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	549.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91044	0.7
55.01860	2.6
57.03437	1.9
58.00589	1.9
59.01377	63.5
60.01715	0.9
60.92225	0.7
61.98829	15.4
66.91108	0.7
69.51052	5.0
71.01379	40.5
72.99293	2.5
73.02546	1.2
73.02942	14.6
83.01379	9.4
85.02449	1.5
85.02945	23.5
86.00044	1.2
87.00873	2.3
89.02439	8.0
95.01359	3.1
96.96014	1.4
97.02946	1.7
98.19836	1.3
99.00885	5.1
101.02437	41.9
111.00878	1.3
113.02442	19.3
119.03495	1.5
125.02423	1.8
129.01944	1.5
131.03493	41.4
143.03491	1.4
149.04539	1.3
159.02983	4.1
161.04530	14.3
186.51091	0.8
205.67905	0.9
357.22800	100.0
358.23047	4.2
401.21579	1.5
489.27036	46.7
489.33524	1.9
490.27234	2.4
549.29553	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	549.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65657	0.8
53.70234	0.7
55.01874	2.5
57.03441	2.4
59.01378	25.5
61.98813	3.0
69.03440	1.1
69.30281	6.1
69.30700	1.5
71.01379	28.4
72.19290	0.8
72.99307	1.5
73.02936	14.1
78.12820	0.7
83.01385	5.9
85.02948	14.4
87.00856	1.9
89.02448	9.2
95.01397	1.8
96.95998	2.7
97.02954	1.6
98.19907	1.3
99.00860	8.3
101.02438	30.0
109.12328	0.8
113.02431	13.5
115.03979	2.0
119.03522	2.0
119.63563	0.8
125.02397	3.0
131.03511	2.5
143.03531	1.4
147.91071	0.8
149.04584	1.7
150.42189	1.0
152.33574	0.8
153.12318	0.8
159.02988	2.5
161.04530	10.2
166.41945	0.8
171.65147	0.9
219.13847	6.3
329.06393	2.5
357.18411	0.9
357.22809	16.6
358.22961	1.2
430.03558	0.8
489.27054	100.0
490.27261	8.5
507.35464	1.6
549.21558	1.9
549.30750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77890	0.1
59.01375	0.8
62.44831	0.1
62.88634	0.1
63.71849	0.1
69.88532	0.4
71.01369	0.7
73.02985	0.1
78.93325	0.1
78.95914	0.3
79.95738	2.5
84.95109	0.2
85.02938	0.2
87.00871	0.2
89.02448	0.5
95.31174	0.1
96.96008	100.0
97.95953	0.2
101.02435	0.5
102.98599	0.2
106.83701	0.1
113.02451	0.3
119.03500	0.2
123.42758	0.1
130.72681	0.1
131.03508	0.2
161.04611	0.2
179.05618	0.5
221.06673	0.7
263.07629	0.3
300.02789	0.2
301.03436	0.1
440.83292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40978	22.2
59.01355	28.4
61.32915	22.0
61.98808	100.0
65.68911	21.0
70.49899	72.8
75.00879	60.6
85.58376	23.4
90.44097	31.5
132.71330	24.6
150.71935	23.2
157.91779	28.3
213.97229	29.3
359.31030	25.2
486.18454	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	550.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79797	0.1
61.98827	100.0
71.04175	0.1
71.59075	0.1
71.59447	0.2
127.94489	0.1
180.19173	0.1
226.28786	0.1
245.70949	0.1
275.73975	0.1
287.51593	0.1
297.71326	0.1
357.71432	0.1
416.43509	0.1
443.35336	0.4
487.34268	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98825	100.0
70.09541	1.4
95.93694	0.3
125.68436	0.3
154.58090	0.4
161.00949	0.3
381.30017	0.3
440.58331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14666	0.4
57.47242	0.4
59.01374	2.5
61.98827	100.0
69.29812	3.1
146.90042	0.4
209.50902	0.3
230.60248	0.4
487.34567	0.4
490.35803	0.4
496.94574	0.4
518.39221	0.3
578.32843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13129	0.4
57.85880	0.3
61.98827	100.0
67.69831	0.4
70.50012	0.7
70.50413	0.6
76.13646	0.3
78.87806	0.3
83.12148	0.3
86.12165	0.3
103.10489	0.3
106.90623	0.3
148.88266	0.3
150.05981	0.3
462.54153	0.4
487.34131	2.0
520.42896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13417	0.4
59.01377	1.5
61.98828	100.0
64.62429	0.3
71.59674	0.5
91.18526	0.3
121.39468	0.4
138.05251	0.4
154.86485	0.4
159.07681	0.4
188.92209	0.4
202.59103	0.4
307.51160	0.4
440.59482	0.4
519.56946	0.3
525.23236	0.4
530.17780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54748	0.1
59.01376	1.2
59.43658	0.1
61.98825	0.4
71.01377	0.8
71.28513	0.2
71.28873	0.2
72.41968	0.1
73.02950	0.1
75.00872	0.1
79.95731	2.7
85.02948	0.2
88.98801	0.1
89.02435	0.9
94.87467	0.1
96.96004	100.0
97.02856	0.1
97.95927	0.1
101.02427	0.5
102.89298	0.1
113.02469	0.4
119.03497	0.2
123.04472	0.2
124.01642	0.2
125.02439	0.4
138.49536	0.1
139.03946	0.2
149.04605	0.2
161.04442	0.2
169.01350	0.2
179.05582	0.2
191.05699	0.1
195.06554	0.2
232.05017	0.1
243.47853	0.1
264.20044	0.1
346.18433	0.1
357.66705	0.1
359.11331	0.4
363.95074	0.1
374.13617	0.4
377.95291	0.1
389.16040	1.1
453.10284	0.7
487.73175	0.1
551.06616	0.1
551.19757	0.2
551.27313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03437	0.4
58.00571	0.4
59.01380	5.6
61.98810	1.1
69.66032	2.1
71.01378	5.9
73.02927	1.3
75.00842	0.4
77.42046	0.3
83.01369	0.7
85.02946	2.7
87.00891	0.5
89.02448	3.1
95.01379	0.4
96.96018	1.8
98.67130	0.4
99.00884	1.0
99.04520	0.4
101.02440	3.6
109.02951	0.4
111.00858	0.6
112.86877	0.4
113.02454	2.6
119.03499	1.3
121.02930	0.7
123.00941	0.5
123.04530	0.3
124.01638	4.3
125.02443	1.8
131.03462	0.6
133.08340	0.3
137.02441	0.5
139.00467	0.6
139.04002	4.6
140.01170	0.4
149.04582	0.4
153.05559	0.5
159.04491	1.5
161.04535	1.4
161.05887	0.4
165.01950	0.4
165.05547	0.4
169.01506	0.4
169.30624	0.3
173.06108	1.7
174.03186	0.5
187.04001	0.4
189.05553	2.3
189.94565	0.4
190.06281	0.4
191.05602	0.5
191.07100	2.7
193.04991	0.4
195.06599	0.5
198.48135	0.3
202.31003	0.3
203.07161	1.4
214.60136	0.4
218.05962	0.4
228.04341	0.6
233.08134	0.6
240.04239	0.6
253.05104	2.9
255.06487	0.9
256.03769	7.0
259.58777	0.3
267.06485	0.5
270.05264	0.7
271.06104	5.0
274.08527	1.0
283.05988	0.9
284.06918	0.4
285.07721	1.1
286.08322	0.7
289.07190	0.6
295.06329	0.5
295.10098	0.4
296.06897	0.7
297.07614	0.7
299.09134	0.6
300.10022	1.2
301.10785	0.4
311.09143	0.9
313.07401	0.8
314.07910	1.3
314.13205	0.4
316.09482	1.8
326.07968	1.8
327.08759	0.6
328.09564	1.0
329.10233	3.2
337.07971	0.5
341.10257	2.2
343.11847	3.8
344.08902	3.4
345.09467	0.5
357.13449	0.6
359.11319	26.1
360.11636	1.6
373.12943	1.3
374.13660	30.8
375.14093	1.0
389.16040	100.0
390.16345	5.6
551.20477	1.6
551.28033	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	551.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26530	7.6
50.47617	7.7
58.22485	6.9
59.01374	20.7
61.98825	100.0
70.86631	9.5
70.86990	20.3
71.74059	8.0
96.95995	11.7
98.20653	8.1
116.78577	8.2
121.39429	7.6
143.72379	7.4
260.70206	8.7
282.83408	8.8
290.67438	8.8
305.79706	8.1
338.96332	8.0
551.31580	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	551.3073
Annotation	Capisterone B
Peak:m/z	Relative Intensity
54.26775	0.3
55.01879	1.2
57.03453	1.7
58.00593	0.8
59.01379	44.5
61.98825	1.4
69.29662	0.3
71.01381	12.6
71.05029	0.7
71.60675	0.3
72.99312	0.9
73.02946	4.9
75.00875	0.3
78.69593	0.3
79.95722	0.3
81.65443	0.3
83.01403	2.5
85.02949	6.3
85.68693	0.3
87.00864	1.6
89.02440	4.8
95.01387	1.1
96.95995	2.1
97.02972	0.3
97.06562	0.5
98.95593	0.4
99.00882	1.9
101.01780	0.5
101.02444	11.0
111.00901	0.7
113.02443	4.7
119.03501	1.7
121.02985	0.6
123.08155	1.0
125.02460	0.5
125.09747	0.3
127.11253	0.3
131.03505	0.3
137.02419	0.4
137.09721	0.5
139.11200	0.3
141.97833	0.3
145.02939	0.5
151.00410	0.3
152.08415	0.4
153.09264	0.3
155.10805	0.4
157.12306	2.1
159.03001	0.6
161.02394	0.3
161.04555	1.5
165.01926	0.5
169.01508	0.4
179.05583	0.4
191.05618	0.3
195.06583	0.4
201.11296	0.5
205.15790	0.3
225.07596	0.3
248.69397	0.3
263.20087	2.8
275.20160	0.4
281.21222	0.6
285.03922	0.4
293.21216	3.4
301.03345	0.7
302.03268	0.5
311.22217	2.2
329.23257	0.9
359.14813	0.4
371.24316	1.1
378.18930	0.9
389.16760	0.4
389.25516	2.4
455.26385	1.0
464.72064	0.3
473.27457	1.7
474.28085	0.3
491.22662	0.3
491.28726	2.9
503.15466	0.6
521.20325	2.7
522.20532	0.5
533.20081	1.9
533.28949	0.8
539.27545	0.4
551.30707	100.0
552.22424	0.4
552.31024	8.9
569.17761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22849	0.4
59.01381	1.3
61.98527	0.6
61.98826	7.2
69.29219	3.6
96.95972	0.6
111.36229	0.5
112.61696	0.5
127.82655	0.4
193.19263	0.5
308.69919	0.5
360.48441	0.5
393.27951	2.6
393.69778	0.4
407.29523	4.0
408.29807	0.5
409.31155	4.5
410.31741	0.4
423.32657	100.0
424.32971	7.7
425.34164	1.9
434.92480	0.5
447.33136	0.5
469.33170	94.0
470.33524	7.7
551.33514	78.7
552.33801	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	551.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	23.0
68.15772	5.7
69.26656	55.0
78.95892	8.2
96.95959	6.0
98.19827	10.1
113.61861	5.5
205.20561	5.7
215.08434	6.4
242.88937	5.7
273.11078	6.5
337.27026	6.2
440.99628	6.8
455.03885	6.8
475.37573	6.7
551.34985	100.0
552.35516	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	552.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98827	100.0
71.01381	0.7
71.58811	0.3
71.59194	0.3
85.02943	0.5
86.51647	0.2
89.02483	0.4
89.17292	0.2
90.30621	0.2
90.86175	0.2
96.96008	0.3
100.29480	0.2
101.02470	0.5
103.66766	0.2
107.27711	0.2
113.02464	0.2
125.02448	0.2
131.03531	0.2
135.59850	0.2
152.99544	0.3
161.04533	0.2
166.04735	0.2
278.59500	0.2
551.75946	1.0
552.26129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.3
61.98824	9.2
69.83521	2.5
75.47241	0.5
78.95900	6.1
98.20689	0.5
129.93820	0.4
152.99617	0.8
168.04298	1.6
210.29599	0.5
224.06963	1.1
233.22763	0.6
242.07977	3.1
275.20013	0.6
277.21698	100.0
278.22000	5.0
411.73114	0.5
502.29367	43.7
503.29886	2.3
509.18582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72345	0.3
59.01382	0.6
61.98827	100.0
62.29321	0.3
69.42323	0.3
70.85071	0.7
90.54045	0.3
123.91679	0.3
138.38425	0.3
163.68373	0.3
195.05585	0.3
342.63611	0.3
373.97885	0.3
424.33148	0.6
470.33795	0.6
471.34717	3.6
492.37207	0.7
552.34015	0.7
553.35345	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	553.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49741	0.8
55.97343	0.9
57.03437	2.2
58.00595	1.0
59.01373	21.8
60.99303	15.7
61.98815	1.6
65.10455	1.0
69.28782	8.8
71.01376	17.2
72.99310	1.3
73.02953	6.6
73.39713	0.9
74.44220	0.8
74.99067	1.0
79.95735	2.2
83.01385	2.3
85.02934	7.4
87.00854	3.8
88.98802	100.0
89.02456	11.1
94.01795	1.0
95.01410	2.4
96.96003	41.0
97.06618	1.1
98.95569	11.6
98.96430	2.2
99.00832	2.7
101.02445	14.2
104.56990	0.9
107.01352	3.6
109.02918	3.5
111.00871	1.6
113.02451	7.2
119.03493	2.0
121.02948	1.9
122.03749	1.1
123.00847	2.7
123.04491	1.4
124.01626	1.3
125.02454	6.8
133.02867	1.1
135.04451	4.1
137.02428	2.2
149.02441	3.5
149.04462	1.7
149.06070	1.4
150.03157	4.1
151.00359	6.0
151.03947	3.4
151.42505	0.9
152.04712	0.9
153.01891	4.0
154.58174	0.9
155.10735	2.4
161.02354	1.4
161.04550	4.6
161.06020	2.6
163.00380	1.2
163.03941	1.2
163.06093	0.9
164.04784	1.7
165.05479	3.3
166.06322	2.3
167.03409	1.1
169.01436	7.5
175.07588	1.0
178.99838	1.3
179.03403	1.4
179.05635	1.0
179.07089	2.4
180.07901	9.1
181.04942	2.0
182.05826	1.1
184.03601	1.1
192.07875	2.4
193.08662	2.2
194.05739	1.6
195.06564	2.1
209.08163	1.7
211.02399	2.4
212.06906	1.8
226.08305	1.2
227.03485	1.6
243.02858	4.0
245.04460	1.7
254.02213	1.1
255.03009	10.9
267.07202	2.0
271.02310	23.3
271.04611	2.6
272.02914	2.0
280.02725	0.9
283.02267	1.4
300.02716	59.0
301.03445	22.5
311.09940	0.9
331.17639	2.0
346.14020	1.2
355.24704	1.1
357.15668	1.5
358.14133	2.1
359.15179	1.2
360.15173	3.0
361.16382	5.1
373.16278	3.0
373.25900	6.6
391.17596	37.7
391.26855	3.4
399.09637	1.3
463.08777	81.0
464.09174	6.4
493.22812	15.5
505.20703	3.7
517.23395	4.4
535.31348	10.5
553.22223	14.0
553.32092	80.3
554.32446	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	553.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
57.03441	3.0
58.00600	1.8
59.01377	32.8
60.99314	1.1
61.98809	2.8
69.25424	10.1
71.01376	25.7
72.99300	2.0
73.02937	11.6
75.00871	7.1
83.01376	9.2
85.02943	16.9
86.00063	1.0
87.00874	4.3
88.98807	6.2
89.02451	10.8
95.01384	3.1
96.96003	15.6
97.02910	1.7
99.00881	4.3
101.02435	29.4
109.02957	1.9
111.00832	1.9
113.02445	13.3
119.03506	3.0
120.99654	17.5
121.02923	5.5
122.03755	1.1
123.04522	1.4
125.02441	4.7
131.03508	1.1
135.04514	2.5
137.02414	1.5
139.00319	1.4
143.03479	1.4
145.02907	1.3
149.06061	1.4
151.00365	1.1
151.03964	1.8
161.02393	1.2
161.04572	3.2
165.05527	1.0
166.06339	44.2
167.03403	2.3
167.07063	5.1
169.01483	1.4
176.04831	0.9
179.03407	1.9
181.08691	53.7
182.09068	1.1
194.05814	2.5
195.06610	2.3
209.08138	10.0
211.09741	1.1
223.09546	1.6
225.04086	2.1
241.05403	1.1
251.09268	1.3
268.22101	1.0
285.04059	1.8
320.00385	1.0
343.13922	100.0
344.14270	3.9
357.15497	1.6
373.15601	1.1
391.27017	9.2
453.82196	1.2
493.29874	1.3
552.30737	3.6
553.23352	80.9
553.31641	15.9
554.23767	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	553.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85349	0.6
58.99593	2.1
59.01377	15.1
61.98817	3.6
67.01889	0.9
67.05984	0.7
69.03440	1.6
71.01385	7.9
71.61921	1.2
72.99306	0.8
73.02938	4.8
74.99052	0.8
75.00856	0.8
78.49620	0.6
79.95723	0.9
83.01356	1.0
85.02938	5.2
86.60419	0.6
87.00867	1.6
88.98811	1.4
89.02453	5.5
95.28975	0.7
96.96005	4.5
97.06550	0.8
99.00864	1.0
101.02425	3.7
102.98595	13.3
107.05067	0.8
109.02943	0.8
113.02444	2.4
119.01364	2.8
119.03463	1.9
120.48344	0.7
120.99620	0.6
121.02925	1.4
123.00906	1.5
125.02444	2.8
135.04509	2.6
136.01617	1.3
137.02419	7.0
137.09644	0.6
147.00864	10.9
148.01683	8.5
149.02417	1.7
149.04547	1.3
151.03966	1.3
161.02370	0.7
161.04561	0.7
162.03258	1.6
163.00674	1.0
163.03990	21.8
164.01083	2.5
164.04750	1.4
165.01917	38.7
166.02371	1.1
166.06329	7.0
167.03474	1.0
167.07092	1.8
169.01434	1.8
177.05405	0.7
179.03485	20.8
179.07040	1.0
180.04263	19.7
181.08669	7.5
185.11720	0.9
189.94424	0.7
192.04153	0.8
194.05826	4.9
195.02937	0.8
195.04802	1.4
195.06607	25.3
210.05301	2.4
225.07666	13.0
243.96875	0.7
285.04065	0.8
285.07645	0.8
312.12082	1.4
327.14474	19.8
329.10236	2.4
344.12671	2.6
345.13400	1.3
359.14944	3.3
373.25928	3.7
391.27039	1.6
405.24680	1.0
475.16422	1.8
490.18384	2.0
505.20776	100.0
506.20950	8.2
506.27435	1.0
517.22015	1.4
535.21552	0.8
553.08740	0.9
553.22552	13.3
553.32111	16.9
554.23407	0.8
554.32312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43527	0.6
59.01353	1.1
61.98828	5.8
71.05011	0.6
77.38684	0.5
78.91872	2.2
92.13803	0.4
96.96015	0.7
97.06573	4.8
98.20728	1.1
170.94682	0.5
183.62985	0.5
196.74800	0.5
227.26915	0.4
245.55495	0.5
373.25092	0.6
389.28363	2.0
391.30051	6.5
392.63403	0.6
405.31403	6.2
406.31992	0.6
407.33191	11.0
408.33398	0.7
423.28867	1.4
437.30475	1.3
439.32101	1.4
441.33789	4.3
451.32104	14.4
452.32458	1.3
453.33701	65.2
454.34082	5.0
471.34738	37.5
472.35168	3.5
486.35757	0.5
515.34393	0.7
517.31683	1.1
553.35071	100.0
554.35345	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
61.98830	12.9
63.44818	0.4
71.38715	0.9
72.93613	0.4
78.95899	6.3
94.62820	0.4
97.00525	0.4
122.50449	0.4
142.68019	0.4
152.99564	1.2
162.23451	0.4
168.04305	1.3
224.06830	1.1
232.72209	0.6
242.07968	3.2
279.23267	100.0
280.23584	4.2
345.01843	0.5
504.30939	40.4
505.31421	2.7
520.54706	0.4
554.31165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28169	0.5
61.98828	90.6
70.32227	1.5
81.35767	0.5
84.00903	1.6
101.56879	0.5
108.07118	0.6
141.08432	0.5
153.90375	0.5
157.88528	0.5
187.30893	0.5
217.95274	0.5
254.35336	0.5
279.23288	0.6
298.03571	0.5
349.41150	0.5
393.27933	1.1
407.29520	2.0
409.31110	2.3
423.32648	44.3
424.33029	4.3
425.34164	0.7
426.33755	1.2
439.26309	0.5
469.33179	17.9
470.33450	1.8
472.34650	2.6
530.90149	0.6
554.30884	100.0
555.31158	9.8
555.95538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36355	0.3
59.01376	22.3
60.56747	0.3
61.98825	4.3
63.78701	0.3
66.10346	0.3
78.95900	18.0
82.15903	0.3
96.96967	0.3
98.20681	0.5
148.50110	0.3
152.99594	2.8
155.70259	0.3
168.04291	2.7
182.75003	0.3
214.20485	0.3
224.06900	8.6
237.22185	0.3
242.07942	1.7
255.23273	100.0
256.23633	4.7
256.26047	0.6
271.69910	0.3
298.60776	0.3
399.89627	0.3
449.68826	0.3
472.35156	1.2
480.30917	76.4
481.31223	4.7
554.35895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98823	1.9
64.84166	0.5
66.00221	0.5
69.48817	3.5
71.01376	3.0
73.02927	0.9
75.00887	0.8
80.96485	0.6
85.02953	1.2
85.45730	0.5
87.00874	0.6
88.98796	0.7
89.02428	2.1
95.01427	0.7
96.47029	0.5
96.96011	14.3
97.02970	0.7
98.19814	0.5
101.02440	1.4
107.05035	0.7
108.02213	0.7
109.02930	1.3
113.02419	0.7
121.03008	0.8
121.57907	0.6
123.00850	0.9
123.04476	1.6
125.02448	1.9
134.03754	7.0
135.04504	1.4
137.02435	19.9
138.03226	4.2
145.02908	0.9
146.03732	16.2
149.06079	7.5
150.03255	4.8
151.04012	7.7
153.05573	2.0
161.02512	0.8
161.06064	7.5
162.03206	7.1
164.04778	10.9
165.05545	6.3
167.03452	1.1
169.01433	1.2
177.04065	1.1
177.05551	9.2
179.07124	64.0
180.04271	1.8
180.07448	1.7
181.05048	9.4
182.05821	100.0
183.06601	37.7
184.06894	0.9
195.06615	24.7
196.07368	2.6
197.08173	90.1
198.08481	2.5
207.06522	0.6
208.07190	0.7
223.09612	0.6
251.09233	6.4
269.10278	3.1
345.11877	7.0
357.13361	1.3
375.14465	0.8
393.15494	18.0
394.15948	0.7
403.12476	0.9
519.24414	1.4
537.19208	0.6
555.21503	11.1
555.33002	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	555.2211
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
59.01374	12.5
61.98816	4.4
63.76447	1.1
65.83785	1.1
71.01378	11.0
73.02931	2.9
74.18306	1.2
75.00867	2.0
81.09534	1.1
83.01383	1.0
85.02957	2.8
88.98798	7.9
89.02443	14.0
96.96013	2.6
97.02952	1.2
98.20670	2.8
99.00861	3.8
101.02448	8.2
113.02428	2.9
125.02418	3.4
131.03499	2.7
137.02469	2.0
149.04532	4.8
161.04561	2.1
179.07048	1.8
182.05859	1.6
186.30971	1.4
225.14899	2.5
261.44171	1.1
387.19891	1.3
519.24359	65.4
520.24866	4.2
554.32666	2.1
555.22144	100.0
555.32373	4.3
556.22504	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	555.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96595	1.1
57.03461	1.3
59.01374	19.0
60.27407	1.1
61.98830	3.9
71.01387	19.6
71.16882	2.6
71.17243	1.2
72.99321	1.4
73.02949	4.9
75.00873	2.3
79.95763	1.9
83.01388	2.2
85.02944	5.9
86.98457	1.1
87.00882	4.0
87.04525	1.8
88.98798	6.9
89.02438	19.5
96.96004	22.5
97.02958	2.2
98.95591	1.3
99.00861	5.4
101.02440	13.8
106.82756	1.1
113.02466	6.4
115.00356	1.6
119.03500	1.9
121.02995	2.6
123.00938	2.8
123.04564	2.0
125.02429	7.2
131.03452	3.0
134.03731	2.5
134.90543	1.2
137.02460	4.5
138.03275	1.4
139.00371	2.4
143.03537	1.4
146.03700	3.7
149.02489	1.7
149.04544	7.9
149.06067	4.0
150.03206	5.3
151.00407	1.5
151.03989	1.6
153.01917	1.3
155.10770	1.4
161.04568	3.0
161.06027	2.9
164.04805	3.3
165.01843	1.4
165.05576	6.1
169.01361	5.8
175.02432	1.9
179.07123	15.8
181.05054	4.4
182.02277	1.8
182.05818	18.0
183.06604	10.2
191.05600	2.6
195.06580	7.6
196.07478	2.0
196.50394	1.1
197.04536	2.5
197.08162	13.0
211.02470	1.4
221.06769	1.7
225.14845	3.0
251.09270	1.4
271.04562	2.9
284.22467	1.1
293.08783	1.9
341.08844	2.7
343.12781	1.3
345.13574	1.3
387.20297	5.3
393.15768	5.6
403.12579	3.9
407.26340	2.2
495.24435	3.1
507.14886	2.4
511.18500	5.7
519.24438	64.5
520.24866	5.1
555.22021	100.0
555.33521	7.0
556.22247	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73659	0.8
53.79983	0.8
55.01839	1.1
58.99623	1.1
59.01378	5.8
61.98824	7.9
71.01366	2.7
71.59071	0.8
71.59448	1.7
72.99312	1.1
73.02953	1.3
79.95734	1.3
80.96506	1.5
80.97233	0.8
85.02959	1.3
87.00864	1.5
87.73119	0.8
88.98824	1.2
89.02430	2.7
90.65319	0.8
93.03447	2.6
96.96006	3.5
101.02441	1.6
102.98595	2.6
108.02164	2.4
109.02960	10.0
113.02409	1.3
121.02965	2.9
122.03735	10.0
123.04521	4.6
124.01659	1.2
125.02407	2.7
132.02129	2.3
133.02936	7.6
134.03685	2.0
135.04535	4.7
136.01617	1.4
137.02406	1.1
147.04485	2.6
149.02425	19.2
149.05946	1.0
150.03218	72.0
151.04015	11.8
159.04477	2.7
162.03142	1.5
164.04810	5.7
165.05556	58.3
166.05873	1.7
169.01404	2.0
173.06041	3.6
180.04260	3.1
181.05035	7.0
189.05534	2.7
195.04814	1.7
195.06606	33.8
203.07164	2.3
209.11841	4.9
227.12798	1.6
240.04347	1.3
241.05052	4.2
253.09129	1.3
255.06595	2.4
266.05563	0.9
267.06671	2.4
268.07104	0.8
269.08197	2.1
281.08221	1.4
283.04901	2.4
295.09784	1.0
297.07660	4.6
299.09262	4.4
312.99841	1.6
313.10846	6.8
327.12271	1.7
329.10199	2.3
343.11844	1.7
344.12625	12.2
345.13309	2.9
357.13397	1.1
358.13898	1.3
359.14984	28.9
360.15411	1.9
401.15915	2.1
403.80716	0.9
404.88589	0.9
443.14856	1.2
447.14560	1.7
461.16080	7.4
475.04910	1.2
477.15686	2.6
492.17889	1.0
507.20212	100.0
508.20709	8.0
519.24188	1.1
554.32452	1.7
555.22015	26.6
555.32684	2.6
556.22296	1.8
576.72076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.221
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
54.93379	0.8
57.03436	1.0
58.00551	0.9
59.01379	12.0
60.99302	1.6
61.98824	3.4
71.01373	12.0
71.60264	1.2
73.02969	4.5
75.00847	1.4
83.01348	1.3
85.02941	2.3
88.98801	13.4
89.01923	1.2
89.02443	13.9
96.95998	6.8
97.02931	1.1
98.95599	1.8
99.00875	3.5
101.02443	8.0
109.02953	0.8
113.02419	3.7
115.04019	1.0
119.03468	1.7
120.99641	2.9
125.02412	4.3
131.03477	1.5
134.54756	0.9
135.04453	0.9
137.02444	1.2
149.02457	0.8
149.04590	4.5
150.03197	0.8
152.07169	1.1
152.08470	0.8
161.04544	2.1
168.80345	0.8
169.01453	2.2
179.07060	2.1
185.06186	1.1
191.05562	1.8
197.08257	1.0
201.92081	1.1
209.52905	0.9
211.02333	1.0
225.14919	2.5
233.06531	1.4
258.84613	1.0
274.40381	0.8
301.03247	1.7
302.03375	1.5
358.11383	2.2
387.20395	1.6
393.18433	1.8
417.62628	1.0
422.63837	1.0
465.09274	2.8
495.24216	1.0
511.18558	1.0
519.24390	57.1
520.24573	5.0
555.22113	100.0
555.32739	3.7
556.22534	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	555.2778
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
56.82530	0.2
61.17416	0.2
61.98825	1.6
63.29786	0.3
83.74090	0.3
95.87563	0.3
96.52161	0.3
99.92580	8.9
100.92690	0.3
100.93361	4.8
105.23958	0.3
109.00239	0.3
113.92585	0.3
115.92072	100.0
116.92080	2.0
116.92852	2.4
132.92323	1.0
196.15546	0.2
455.35287	0.6
555.27789	66.1
556.28137	6.3
569.25806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
56.48732	0.4
57.15409	0.4
59.01380	0.8
61.98825	1.8
63.96230	0.9
69.03431	0.5
71.01383	5.5
73.02935	1.5
78.98585	5.4
79.95734	8.5
80.96513	60.8
81.03469	1.0
85.02943	2.5
87.00863	2.6
94.97475	0.7
94.98083	12.6
95.01376	0.5
96.96000	1.5
97.02950	1.4
101.02448	2.2
103.69887	0.5
103.83296	0.5
106.11792	0.4
106.98098	3.0
122.97591	2.4
125.02452	2.3
127.03999	0.6
131.04071	0.4
134.97568	4.2
136.99109	1.1
148.99129	5.0
152.98602	5.1
164.98618	11.6
167.00267	0.7
206.99733	3.1
225.00716	15.2
255.23256	3.1
299.04370	3.0
555.28369	100.0
556.28711	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	555.2939
Annotation	Cucurbitacin E
Peak:m/z	Relative Intensity
59.01380	11.0
61.98827	7.8
70.59757	1.4
70.87224	2.6
70.87585	1.5
71.01376	5.2
73.02934	3.2
77.09522	1.2
85.02932	1.5
89.02440	3.4
96.96011	9.0
101.02442	3.8
113.02442	2.8
116.11196	1.2
123.04520	1.4
145.03024	1.1
146.26204	1.0
150.06848	2.3
151.00322	1.2
163.07695	1.7
169.01398	1.3
179.10745	2.8
189.01694	1.2
284.03079	1.4
344.14529	1.7
345.14532	2.8
350.20953	4.2
351.21704	3.4
519.31696	38.6
520.32135	2.3
555.29327	100.0
556.29938	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	555.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02440	1.5
59.01375	12.6
61.98820	9.4
69.26457	17.9
71.01378	5.6
73.02944	2.9
83.07218	1.5
85.02937	3.2
88.05939	1.8
89.02445	2.1
96.95994	7.8
98.19948	4.8
101.02456	5.1
113.02447	2.0
122.49046	1.7
125.02463	1.9
137.02492	1.8
166.93208	2.1
173.09998	1.6
173.86707	1.7
348.02646	2.4
357.26614	2.5
519.31726	54.3
520.31866	5.1
555.29437	100.0
556.29755	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	557.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96832	0.6
59.01315	8.0
61.98774	1.9
61.99087	0.7
71.01377	6.8
73.02882	2.1
75.00749	0.6
83.01324	1.2
85.02866	2.1
87.00809	0.9
89.02438	9.6
89.27039	0.6
96.20231	0.8
96.96011	8.6
97.02905	0.8
98.95515	2.6
98.96165	0.5
99.00768	2.0
101.02430	6.3
113.02361	1.9
119.03410	1.2
120.99615	1.3
125.02401	1.1
128.85062	0.6
131.03441	1.2
132.52834	0.5
149.04456	2.6
161.04416	1.3
225.14908	0.7
242.99352	0.6
254.37572	0.6
256.90759	0.6
258.01498	2.2
270.98825	16.7
271.99207	0.7
283.99588	3.2
285.00372	7.0
286.01120	4.1
298.98303	38.7
299.98907	3.4
300.99808	0.9
309.69241	0.6
312.99924	9.5
314.00656	55.7
315.00952	3.8
344.12769	0.6
359.14963	2.8
387.20181	2.5
469.47769	0.7
471.17792	0.7
472.83521	0.6
477.06699	100.0
478.07080	6.4
512.19128	1.6
513.18506	3.0
518.23230	1.8
519.24353	45.7
520.24677	12.3
521.25366	9.7
556.22278	7.0
557.03101	3.2
557.22009	44.0
558.22266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
58.00583	0.8
59.01375	4.2
61.98809	1.1
67.01878	1.1
68.99808	0.9
69.03426	0.9
69.35480	1.6
69.35888	4.0
70.59021	0.6
71.01383	5.8
72.99315	1.1
73.02915	1.1
79.95708	0.7
83.01372	1.7
85.02939	3.4
87.00868	2.3
89.02450	1.8
95.01381	2.0
96.76825	0.8
96.96006	22.3
96.96927	0.9
98.95573	1.5
99.00895	0.8
101.02412	3.5
102.19386	0.6
107.01389	11.2
109.02921	1.2
111.00871	5.3
113.02447	2.0
119.03465	0.7
120.99635	2.1
121.02986	0.7
123.00880	17.7
124.01713	3.2
125.02441	48.5
127.00349	1.9
134.00034	0.6
136.98813	2.5
137.02438	2.3
137.96651	0.7
138.03235	1.5
139.00360	9.2
139.03986	3.6
140.01180	8.0
141.01888	1.3
149.02429	1.6
150.99199	0.8
151.00360	11.4
151.03975	1.9
152.01144	0.9
152.04649	1.0
153.01933	1.5
153.05606	0.9
154.99892	1.1
161.04588	0.8
165.01927	13.8
166.02650	4.8
166.99812	1.7
167.03505	1.3
168.00658	13.2
168.04356	0.7
169.01421	71.9
170.01762	1.0
177.01929	2.3
178.02617	0.9
179.03479	7.5
180.04294	15.0
181.04970	2.7
183.02988	10.9
192.04196	1.0
193.01457	0.8
193.04956	1.4
193.69000	0.7
194.05826	1.7
195.03047	1.5
195.05009	1.2
195.06631	11.9
204.19069	0.7
209.04585	1.3
210.01656	2.2
210.05363	0.8
211.02492	6.0
225.04053	10.5
225.07683	2.1
239.72955	0.7
241.03482	1.5
253.03629	1.0
265.03769	0.7
271.04559	4.2
285.06134	16.5
297.06165	3.5
298.98331	2.7
313.05621	17.7
314.00607	4.5
314.05960	0.7
327.07196	2.1
345.08203	1.5
347.82657	0.8
373.07358	1.5
385.07779	8.2
477.06558	5.7
497.22574	3.4
509.12958	66.1
510.13385	5.0
521.13019	1.8
539.13953	13.0
557.15039	100.0
558.15460	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	557.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	49.7
61.98843	23.3
69.33865	29.0
71.01378	34.1
72.99303	6.8
73.02947	6.4
73.20405	3.5
78.91869	5.4
79.57280	3.4
79.95726	5.5
80.91666	12.4
80.96495	4.4
85.02956	7.3
88.98796	3.9
89.02440	15.4
96.95370	6.2
96.96009	100.0
99.00882	10.2
101.02445	14.0
106.00726	3.4
109.02905	7.0
113.02432	12.2
119.37954	3.4
123.04507	5.2
125.02446	11.8
145.02977	5.8
149.04509	4.0
151.00417	5.1
153.01939	8.9
161.02498	4.9
165.05423	4.2
167.03349	4.5
169.01414	11.4
171.33730	3.9
172.90999	3.7
243.06543	5.0
249.06201	4.1
281.08228	4.0
329.13870	5.1
379.04953	4.1
475.25366	5.1
491.19199	69.0
492.19357	5.8
503.12860	4.7
503.19370	57.6
519.24548	10.3
521.19769	23.7
521.27106	24.3
557.23926	95.7
558.20679	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	557.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34877	1.9
57.34509	1.8
59.01383	14.7
61.98833	15.2
70.01874	4.4
70.02270	5.2
71.01380	13.5
73.02981	3.7
74.99083	3.1
79.95738	31.8
80.56413	1.9
80.96526	2.3
84.44543	2.0
85.02969	6.2
87.00903	3.2
87.19517	1.8
88.56932	1.9
88.98816	11.2
89.02460	12.4
95.01405	2.8
96.96011	41.3
97.02938	2.1
98.95606	6.0
99.00913	5.3
101.02456	12.1
106.41270	2.3
111.04451	2.3
113.02438	4.7
116.92850	2.6
120.99659	6.3
121.02907	2.2
123.00896	3.5
123.96597	2.0
125.02444	8.6
127.48660	2.4
135.04549	2.5
137.02449	7.2
138.03145	2.9
146.03712	2.3
147.04080	2.2
149.02502	3.2
149.04660	2.2
149.05937	2.2
151.00362	3.0
151.04099	2.1
161.04614	5.1
161.06035	2.4
162.54831	1.9
164.04776	3.5
169.01375	10.6
177.05634	2.2
179.07114	9.9
180.07495	7.8
181.05106	4.3
182.05850	16.2
183.06406	14.1
184.06618	6.7
185.07158	3.4
195.06622	3.6
196.06993	2.1
196.47847	11.0
197.08157	14.6
198.08609	9.0
199.08638	4.2
203.98991	15.7
241.00340	3.9
243.96811	37.3
244.47023	8.1
270.98837	2.1
289.07135	4.2
297.12442	3.5
297.97778	5.5
298.98413	4.7
299.99127	10.9
300.02551	4.0
312.99896	9.6
314.00778	7.6
315.01453	17.9
328.02307	4.3
329.02887	4.2
355.13199	2.4
389.21912	2.8
394.15738	2.4
395.16501	4.5
399.11832	2.8
406.49780	1.9
431.14383	4.9
467.11902	4.4
477.06781	18.4
495.15176	2.4
519.24402	2.2
521.18536	3.6
521.25879	56.1
557.23468	100.0
558.23730	8.5
570.82697	2.3
581.55652	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	557.3097
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
50.93475	0.7
57.03435	1.0
58.00557	0.8
59.01374	8.8
61.98826	5.9
68.80802	0.7
71.01019	0.9
71.01379	5.7
71.59573	0.9
72.51266	0.6
72.99309	0.8
73.02932	2.7
75.00858	2.4
79.95749	1.3
80.96478	0.9
85.02943	3.1
87.04500	1.6
88.98787	1.0
89.02423	3.2
91.93643	0.7
95.01384	0.8
96.96008	5.7
99.00863	1.2
99.04466	0.8
101.02435	3.0
108.45011	0.7
113.02411	3.4
116.29527	0.7
116.30441	0.7
121.03008	1.0
122.03657	0.9
123.04437	1.3
124.07402	0.7
125.02405	2.9
137.02431	1.2
137.09689	1.3
149.02383	2.4
149.04582	1.0
150.03223	6.2
151.03786	1.1
153.09050	0.9
154.02724	0.8
155.10779	5.4
155.67058	0.7
161.04533	1.1
165.05478	4.1
166.05942	1.5
169.01422	1.0
173.07927	0.8
179.10753	1.1
195.06638	7.1
199.09732	2.1
203.07245	1.0
241.10756	1.0
283.11859	0.8
372.55716	0.9
391.52567	0.9
509.20694	8.1
519.31036	0.8
521.20001	1.0
521.26196	2.3
521.33197	23.3
522.33441	1.7
539.21466	4.0
557.22827	10.1
557.30908	100.0
558.31342	7.5
572.41113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85757	0.8
54.83742	0.6
59.01358	1.0
60.78621	0.6
61.98825	100.0
63.01321	0.6
63.68687	0.6
64.23836	0.6
71.57577	0.8
78.95908	2.0
132.66446	0.7
152.99635	1.3
156.65489	0.8
211.13455	2.3
241.85510	0.7
250.60249	0.6
269.17831	0.8
270.18237	0.8
347.12869	0.8
382.31729	0.7
425.04199	0.8
559.26935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.0
61.98827	0.5
69.52218	0.7
69.52634	0.3
71.01379	1.3
72.99289	0.2
73.02946	0.2
77.03964	0.2
85.02957	0.4
87.00864	0.2
89.02438	1.7
93.03461	0.4
96.96001	0.6
98.95597	0.2
99.00869	0.2
101.02425	0.8
113.02427	0.4
121.02949	100.0
122.03282	2.0
122.54948	0.2
125.02435	0.6
131.03505	1.5
139.03941	0.1
149.03531	0.2
149.04535	1.0
161.02443	0.2
167.07140	0.2
191.05620	0.6
245.10335	0.3
293.08783	0.7
313.12927	0.5
377.14682	0.8
399.60626	0.2
477.65884	0.2
499.18262	0.5
523.21832	1.0
549.14752	0.2
559.05682	0.2
559.31458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01378	12.2
61.98819	3.7
68.87095	0.3
68.99833	0.3
69.03465	0.4
71.01375	7.3
72.99294	1.1
73.02944	1.8
75.00869	0.5
79.95719	0.4
80.96526	0.5
83.01378	0.8
84.95081	0.4
85.02943	3.2
87.00857	0.5
87.04473	0.5
88.98795	1.1
89.02439	3.9
89.03284	0.3
93.03464	0.6
95.01362	0.9
96.96017	5.8
97.02930	0.4
97.06583	0.4
99.00869	1.7
99.04485	0.3
101.02436	4.0
103.03970	0.3
109.02973	0.4
111.00900	0.4
113.02440	3.5
117.03437	0.8
117.97276	0.5
119.03501	0.6
119.04963	0.4
121.02963	1.4
123.00845	0.5
123.04523	0.5
124.01620	0.4
125.02421	1.8
131.03487	1.4
135.04494	0.4
136.01666	0.5
137.02446	1.5
143.03566	0.3
145.02930	1.4
147.04553	0.4
149.02428	0.6
149.04524	1.3
150.03172	0.4
150.34377	0.3
151.00323	0.9
151.03952	0.5
153.01900	0.6
156.02196	1.6
157.02892	0.6
159.02925	0.6
161.02438	0.9
161.04504	1.8
161.48862	0.3
163.03996	0.6
167.07068	0.3
169.01437	0.5
169.02876	0.4
172.01619	0.7
176.01111	0.5
177.01883	1.0
178.99773	0.6
179.05568	0.4
184.01685	1.8
185.02377	1.5
187.00346	0.8
191.05621	0.8
197.02533	0.3
199.00201	0.5
200.01093	2.5
201.01923	0.5
207.13913	0.4
212.01109	1.0
213.01895	2.4
214.99886	0.6
226.99901	1.6
228.00650	1.9
229.01372	1.3
240.00618	4.0
241.01407	1.7
242.99303	0.5
254.99324	3.2
255.03029	0.9
256.00052	0.5
257.00882	1.5
268.00116	0.7
270.99167	0.4
271.02365	0.5
271.06418	0.4
282.98843	4.7
283.99637	6.8
284.02933	0.8
285.00403	9.6
285.03647	0.6
293.08780	0.4
300.02560	0.4
300.99805	0.6
301.03476	1.2
302.04047	1.0
310.98322	3.2
311.99088	18.2
312.99863	100.0
314.00204	4.1
357.13412	0.9
369.19153	2.5
447.09341	0.8
449.81891	0.4
475.05148	18.5
476.05518	1.0
501.23364	2.5
501.30786	3.3
517.06183	41.1
518.06653	2.6
519.31592	1.3
523.21851	0.5
524.21600	0.5
525.22687	0.8
560.31616	1.0
561.22168	1.2
561.31287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.39347	0.1
61.98829	0.2
71.01379	0.5
71.61520	0.1
71.61875	0.1
73.02941	0.2
79.95728	2.7
85.02946	0.2
89.02437	0.5
93.63913	0.1
96.96005	100.0
97.95946	0.2
101.02454	0.4
113.02401	0.2
120.99660	0.2
125.02403	0.3
131.03476	0.4
137.02425	0.3
149.02406	0.1
149.04556	0.7
175.04170	0.1
176.36708	0.1
191.05598	0.3
215.88734	0.1
215.97681	0.1
289.07138	0.2
300.02841	0.4
301.03571	0.2
327.06949	0.2
353.01904	0.1
354.57849	0.1
357.13794	0.2
463.08865	0.4
525.16266	0.2
561.13214	0.2
561.26428	0.1
584.27850	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.7
59.01372	6.9
61.98829	3.2
69.33540	3.2
71.01380	3.5
72.99354	0.5
73.02968	0.9
75.00916	1.5
77.79507	0.4
79.95755	0.5
83.01382	0.5
85.02991	1.4
87.00913	0.7
89.02454	2.1
89.17799	0.4
90.47650	0.3
95.01429	0.4
96.95997	8.8
97.03006	0.5
97.77083	0.4
98.20705	0.6
99.00958	0.6
101.02433	2.2
101.06075	2.3
103.66209	0.4
108.04548	3.7
113.02479	1.5
114.55206	0.4
119.03622	0.5
125.02432	0.9
131.03503	0.7
137.02444	1.0
145.02963	0.5
150.05606	2.9
151.00330	0.6
161.04543	0.7
165.01997	0.6
171.10333	1.0
200.01144	0.6
209.11861	0.5
216.00591	0.9
223.17015	1.2
242.99232	2.5
244.00012	1.2
255.03009	0.7
267.16040	1.9
269.98264	0.5
270.98807	22.7
271.02072	1.1
271.99423	1.4
272.02792	1.3
273.03043	1.4
283.99423	0.6
298.98291	24.3
299.99075	100.0
300.99533	5.9
301.03293	2.0
302.03409	2.1
312.99872	1.1
314.00638	17.6
315.01422	84.9
316.01843	3.9
316.83728	0.4
329.17548	1.0
356.01120	0.5
399.10764	0.5
444.03238	0.5
445.03922	1.7
459.05435	1.4
465.08957	0.7
501.30630	1.3
519.31714	0.8
561.12250	89.3
561.30884	1.8
562.12708	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	561.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01375	13.7
70.38023	0.7
70.75263	1.9
71.01374	7.9
73.02945	2.0
79.95735	5.8
81.42664	0.8
82.70642	0.7
83.01373	2.2
85.02927	4.3
87.00858	1.4
89.02448	4.9
95.01370	0.8
95.95224	1.6
96.96003	80.2
97.02925	1.8
99.00877	1.8
99.04517	0.8
101.02452	5.7
109.02940	2.6
110.32339	0.7
111.43186	0.7
113.02438	4.7
119.03487	2.0
122.03725	1.9
123.04501	3.9
125.02386	1.0
137.02441	4.9
139.04022	0.9
143.03551	1.1
149.02417	2.0
151.03981	5.3
161.04594	1.9
161.05980	0.8
163.04016	1.6
165.01910	8.9
175.04013	0.8
177.64255	0.7
179.03526	1.2
179.05544	2.8
189.55367	0.7
193.32571	0.7
203.07079	1.9
205.05048	2.2
209.11801	0.7
221.06572	1.8
241.08696	2.8
247.06071	0.9
263.07678	1.0
269.11594	0.9
314.15161	0.8
315.15973	2.2
317.17535	1.2
329.17535	40.1
330.17938	2.2
357.17068	0.9
395.11661	2.4
399.23935	1.7
409.13223	11.0
410.13474	1.6
437.23273	2.0
481.22217	9.3
501.30615	9.5
519.31616	2.8
560.70782	0.8
561.17926	100.0
561.28162	3.3
562.18097	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	561.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65368	0.6
53.60810	0.6
57.03438	1.7
58.00582	0.9
59.01374	16.0
61.98822	1.1
63.92425	0.7
69.33194	0.6
69.33492	6.2
71.01377	5.8
72.54210	0.7
72.99295	0.8
73.02936	1.4
79.95739	5.9
83.01382	2.1
85.02943	3.4
87.04507	1.7
89.02434	3.7
93.03459	1.1
95.95259	0.8
96.96003	100.0
97.02926	1.2
99.00863	1.3
99.04534	0.7
101.02442	4.8
102.68343	0.6
109.02911	1.3
109.77267	0.6
113.02438	3.5
122.03742	0.8
123.04510	2.5
125.02448	1.9
137.02454	3.1
142.19519	0.7
149.02435	1.0
151.00348	0.9
151.03998	3.6
153.05530	0.8
159.02980	0.7
161.04515	1.3
165.01930	6.6
165.10727	0.6
171.10274	1.1
173.04543	1.1
174.03281	0.7
179.05591	0.9
200.08853	0.7
203.07045	1.6
205.05046	1.6
209.11795	0.9
241.08627	1.5
288.06326	0.9
294.43594	0.8
311.16403	0.7
317.17371	0.7
329.17554	25.5
330.17786	1.4
330.90112	0.7
357.16986	1.2
357.26382	1.1
362.19388	0.8
395.11658	1.0
409.13293	3.8
410.14133	1.0
437.23383	1.5
447.27145	0.8
481.22156	3.0
496.27600	0.8
501.30692	13.7
519.31396	4.4
547.18842	0.7
561.17871	83.9
562.10870	1.0
562.18378	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	561.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18821	0.3
57.03454	0.4
59.01093	0.6
59.01374	6.9
61.98818	2.7
63.96237	0.5
68.86483	0.3
69.03458	0.5
71.01379	3.7
72.99296	0.8
73.02947	1.5
73.27616	0.3
75.00880	0.4
75.39182	0.3
79.95735	5.6
80.96532	0.4
83.01366	1.4
85.02943	1.3
87.00868	0.7
88.98817	0.5
89.02438	2.1
89.06033	0.3
89.50378	0.3
93.03436	0.6
95.01369	0.5
95.32841	0.3
95.95232	1.3
96.96005	100.0
97.02941	1.4
98.19828	0.6
99.00872	0.5
101.02425	2.8
105.25367	0.3
106.57346	0.3
108.04550	0.4
109.02944	2.0
113.02456	1.9
113.03139	0.3
117.97318	0.5
119.03517	0.8
121.02942	0.8
122.03745	1.7
123.00917	0.4
123.04523	3.2
124.01669	0.7
125.01589	0.3
125.02415	1.7
131.24875	0.3
135.04564	0.6
135.98355	1.7
136.01691	0.6
137.02444	4.8
137.09790	0.3
139.03996	0.6
143.03462	0.4
143.51152	0.3
145.02963	0.5
149.02452	1.4
149.04593	0.3
150.03217	0.5
151.00389	0.7
151.03976	3.0
159.04543	0.8
161.02452	1.0
161.04610	0.6
161.06056	1.0
163.03947	0.6
164.01202	0.7
164.93858	0.3
165.01907	8.0
165.05489	0.3
171.10127	0.4
175.03973	0.5
178.99870	0.4
179.03464	1.1
179.05569	0.3
187.03978	0.4
203.03479	0.4
203.07098	1.8
205.05081	2.3
241.08630	2.2
242.09399	0.4
246.72021	0.3
247.06158	1.0
255.10123	0.5
257.08490	0.7
269.11807	1.0
285.15079	0.4
288.06421	0.8
289.06973	0.4
298.98322	0.8
300.02505	0.6
301.03519	0.6
311.16376	0.6
314.00696	1.3
314.15167	0.4
315.16129	1.1
317.17581	1.2
329.03024	1.6
329.17526	31.5
330.17856	1.4
331.19128	0.4
357.17035	1.2
359.18723	0.5
369.19214	0.8
371.18753	0.5
381.93073	0.3
395.11749	1.6
395.22351	0.8
409.13242	9.3
410.13754	1.1
419.22464	0.6
437.23352	2.3
438.24039	0.4
479.75748	1.1
480.25510	0.4
481.22290	6.7
482.22375	0.5
501.23529	0.9
501.30826	1.3
523.34521	1.2
560.32196	1.3
561.17938	87.5
561.30725	5.1
562.18250	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	561.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
58.00582	3.5
59.01376	93.6
61.98821	1.2
69.03446	0.9
69.27118	5.2
69.27527	1.7
71.01377	64.0
71.04794	0.6
72.99297	4.4
73.02954	7.6
79.95725	2.1
83.01373	3.6
84.18354	0.8
85.02948	9.0
87.00862	1.9
89.02439	100.0
90.02760	1.2
94.36565	0.8
96.96002	21.1
97.02943	0.7
98.19867	1.7
99.00870	5.9
101.02439	43.4
106.87102	0.8
113.02448	11.9
119.03499	7.4
125.02456	4.1
129.01907	3.0
131.03499	69.3
132.03773	0.7
137.02379	1.6
143.03455	1.6
149.04550	91.3
150.04945	1.3
161.02397	0.7
161.04584	1.4
167.06990	0.9
173.04488	2.6
191.05602	40.2
192.05859	0.8
221.06633	5.5
243.96696	1.7
251.07619	3.7
269.68686	0.8
276.46802	0.8
280.85669	0.7
281.08649	1.3
311.10043	3.4
369.18976	0.7
423.10721	0.8
446.24026	0.8
561.12933	0.9
561.24841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30671	0.1
57.03449	0.3
59.01374	3.9
61.74474	0.1
61.98827	100.0
70.45102	0.3
70.45489	0.2
71.01379	1.7
72.99309	0.2
73.02940	0.3
75.00856	0.2
77.24606	0.1
79.66702	0.1
79.95760	0.2
83.01392	0.3
85.02946	0.7
87.00868	0.2
89.02441	1.2
95.01376	0.2
96.95995	1.2
97.02970	0.1
99.00871	0.4
101.02448	0.9
108.04610	0.1
113.02456	0.8
113.29628	0.1
117.03474	0.2
119.03513	0.3
120.99664	0.2
121.02951	2.4
122.03307	1.1
123.00970	0.1
123.03484	0.3
123.04536	0.2
124.03729	0.1
124.75282	0.1
125.02459	0.4
131.03500	0.2
138.02802	0.1
145.02994	0.5
149.04573	0.4
151.00357	0.2
151.03987	0.2
153.05573	0.2
161.04564	0.3
165.05592	0.2
181.05074	0.3
189.12704	0.1
299.99188	0.2
301.03613	0.2
311.99036	0.3
312.99734	1.0
314.00201	1.2
315.01108	0.2
369.19281	0.2
370.19308	0.3
371.20941	0.6
417.15701	0.2
448.09467	0.2
476.05850	0.4
501.30704	0.6
502.24210	0.2
502.31061	0.6
503.25323	0.7
503.31595	0.1
518.06580	0.8
520.32129	0.3
524.22107	0.2
562.16565	0.2
562.33228	0.2
563.10352	0.2
563.20917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.39557	0.4
71.58662	0.4
74.85361	0.4
94.03454	0.4
96.96088	0.4
106.03722	0.4
171.25227	0.4
186.05411	0.4
208.29710	0.4
309.54678	0.4
447.45654	0.5
488.79980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
57.33118	0.4
59.01380	2.2
66.65692	0.4
69.20699	4.7
71.01372	2.5
73.02967	0.8
83.01341	0.7
85.02940	1.2
87.00867	0.7
89.02431	1.5
89.26662	0.4
91.05545	0.7
92.23176	0.5
93.03452	1.5
96.96003	2.2
101.02444	1.1
102.91410	0.4
108.18171	0.5
108.21584	0.4
109.02964	0.4
113.02419	0.7
115.00363	1.8
117.03464	4.4
117.96586	0.4
119.05006	0.7
121.02974	0.6
125.02425	0.9
130.58415	0.4
135.04515	2.0
137.02458	0.7
147.04494	0.5
149.02448	1.1
149.06111	0.6
150.03111	0.6
151.04053	0.5
157.48531	0.4
159.04541	1.0
161.02402	2.1
161.04652	0.5
161.06044	0.6
163.04001	1.5
165.91112	0.4
166.06374	0.7
173.02370	0.6
173.06053	0.8
175.02438	3.0
175.03983	1.6
177.01962	0.6
177.05569	1.4
181.08691	1.1
184.70184	0.4
189.05466	0.5
191.03505	1.5
194.30473	0.5
197.06017	0.7
197.53310	0.4
201.93875	0.4
203.03511	1.4
205.05084	0.9
221.04585	0.9
224.08379	0.5
233.04597	0.8
245.04388	0.7
245.08214	0.6
251.07152	0.7
253.77266	0.5
268.07422	0.7
279.06418	0.7
281.04575	1.1
282.05334	2.1
283.06009	3.6
289.07065	1.1
293.04688	0.5
293.07962	0.5
295.06067	4.3
296.06680	2.7
297.07651	14.5
307.06027	1.3
309.07568	2.3
311.05557	2.4
317.67795	0.4
323.05597	3.2
324.06387	0.7
325.07144	6.0
327.14624	2.7
328.05887	2.7
335.05423	1.1
337.07211	2.8
341.06451	0.5
353.06638	32.4
354.06940	2.4
355.08194	1.2
356.05179	1.1
359.15018	0.7
365.06604	4.8
377.06210	0.6
381.05942	0.5
383.07687	22.8
384.08099	1.6
395.07785	2.4
407.07718	0.9
413.08847	2.7
425.08951	1.3
443.09744	8.2
455.09442	0.6
473.10907	5.9
483.12790	0.8
485.11047	0.7
503.11609	1.0
563.14038	100.0
564.14252	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17279	1.6
53.19189	1.8
55.01860	3.8
56.86924	1.6
58.00586	1.8
59.01097	2.8
59.01373	38.4
59.98506	2.1
65.48269	1.6
68.18868	1.6
69.46713	14.5
71.01376	43.1
72.99272	3.7
73.02943	4.0
78.01878	1.7
79.95706	3.2
83.01377	30.3
85.02966	8.6
87.00858	6.1
88.98779	5.7
89.02435	31.0
91.20582	1.5
93.03453	4.1
96.95995	17.2
97.02936	4.4
99.00861	21.2
101.02415	25.3
111.00864	9.2
113.02440	14.0
119.03486	14.3
124.98779	7.9
125.02425	6.3
127.00367	56.3
129.01941	14.4
131.03444	2.1
135.04527	8.4
137.02513	1.9
139.00380	3.2
143.03476	5.0
145.01387	10.7
149.02388	5.4
151.00378	2.1
152.01047	2.1
153.05516	1.8
154.99811	4.5
156.99637	30.4
157.01366	6.9
161.02373	11.5
161.04562	5.9
163.03993	71.8
164.04811	9.3
165.01918	1.8
166.02667	4.3
169.01346	4.6
173.00909	16.3
175.04048	2.4
176.01100	3.0
176.04768	12.3
177.01926	11.2
177.05426	2.0
178.04790	3.2
178.06329	54.6
179.03569	13.0
179.05539	12.4
179.07088	9.6
181.05028	5.9
187.02472	2.3
189.01869	3.7
189.05559	3.5
190.02696	2.3
191.03487	31.1
191.07176	4.6
192.04170	5.0
193.08681	8.1
194.05887	9.0
203.03429	5.2
204.04259	2.5
204.07895	3.6
205.05002	7.6
206.05809	8.2
206.21269	2.1
207.06566	3.6
209.08081	7.4
215.03523	3.9
217.05051	2.0
218.05939	2.3
219.02980	2.0
221.04533	5.5
221.08212	8.3
231.02959	3.4
233.04402	2.9
233.08200	2.5
237.07657	6.0
238.04834	7.8
245.04430	3.1
247.02408	2.3
248.06834	2.7
249.07652	4.9
259.02347	2.4
261.07739	3.9
262.04837	5.7
265.07117	14.1
274.04697	3.3
275.01971	2.3
276.06259	2.2
277.07132	22.4
289.07138	16.7
291.08725	7.9
307.08197	19.5
335.06168	37.3
336.06937	73.9
391.53180	4.6
487.14590	35.8
503.16040	2.4
527.14154	1.9
563.16083	100.0
564.16614	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	563.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92335	0.6
55.01868	1.2
57.03447	1.3
59.01385	4.0
62.21502	0.7
68.99799	0.9
71.01379	7.2
72.99306	1.1
73.02953	3.3
75.00861	1.1
75.09083	0.6
83.01379	1.5
85.02953	3.8
87.00876	24.9
89.02431	2.9
95.01369	2.7
96.96027	5.3
96.99146	0.6
97.02924	1.0
98.19897	1.2
98.20600	2.2
99.00887	5.3
101.02457	3.1
109.02836	0.8
111.00883	3.9
112.98788	6.7
113.02455	1.9
114.16405	0.6
117.01918	0.8
123.00896	5.8
124.01647	1.5
125.02433	0.8
127.04025	0.8
129.01924	2.1
131.03435	1.1
138.03188	4.3
142.99826	5.3
145.01410	2.3
147.02997	0.9
147.04420	1.1
149.02470	1.6
151.00403	1.0
153.05563	6.0
161.02435	7.2
163.04004	6.3
164.04739	3.2
166.02682	3.1
173.00902	29.2
173.02286	1.1
174.01653	6.0
174.03098	1.2
175.03963	3.3
176.04784	6.1
177.01889	1.1
177.04088	0.7
178.06342	8.1
179.03511	7.9
179.05608	1.4
179.07091	8.4
181.03641	0.6
181.05061	4.4
181.06554	0.7
188.04837	0.8
189.05449	1.5
190.02753	2.1
191.03467	6.9
191.05482	1.5
191.07123	3.9
192.04308	1.1
193.08678	10.8
194.05841	11.5
195.01633	0.7
201.01976	1.2
203.03531	4.2
203.07089	0.9
203.47990	0.7
204.03999	0.7
205.05028	4.3
206.05864	5.6
207.06586	1.5
209.06180	1.2
209.08156	14.9
218.05754	1.6
219.02950	4.3
219.06369	0.7
220.03680	1.5
221.04688	1.4
221.08257	6.4
229.01454	1.7
231.02927	1.9
233.04361	0.7
233.93938	0.6
234.05322	5.1
235.06006	1.1
236.06879	0.8
237.07654	1.5
246.05252	1.3
247.02470	5.6
247.05971	0.9
249.03957	1.0
249.05006	0.6
249.07649	6.5
250.04926	0.9
261.03989	3.6
261.07523	0.8
262.04810	11.1
263.05453	0.8
264.06549	1.0
265.07129	9.8
276.06396	3.9
277.07147	27.1
279.08661	1.0
291.08768	2.9
325.09250	1.0
335.06342	1.3
337.09259	31.9
338.09610	1.0
340.97836	1.3
382.99023	1.1
383.09833	2.5
405.60504	0.7
427.12372	2.3
439.12427	1.8
503.16156	4.5
526.69415	0.9
563.16107	100.0
564.16449	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	563.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69537	1.6
56.43609	1.3
57.03454	2.8
59.01379	24.4
61.98827	16.4
70.74316	2.8
70.74672	2.1
71.01376	11.8
71.27042	1.2
72.99361	1.7
73.02961	4.8
75.00883	3.1
78.41379	1.7
78.91868	1.7
79.95737	26.6
80.96564	1.5
83.01384	3.2
85.02966	4.1
87.00897	2.1
89.02459	7.0
89.27930	1.4
93.03507	1.4
95.95219	2.9
96.96007	75.6
97.02985	2.0
98.95628	1.7
99.00879	1.5
101.02450	5.7
108.04554	11.7
109.02973	3.3
109.04900	4.6
113.02475	3.4
119.03471	1.4
121.02991	1.8
122.03756	5.0
123.04520	5.2
124.01681	1.8
125.02460	3.7
135.04561	2.7
136.01698	2.0
137.02441	12.1
139.04077	1.5
142.06635	5.1
149.02451	2.4
149.04469	1.7
150.05627	6.1
151.04012	3.9
151.05914	3.6
161.04610	2.8
161.06027	1.7
161.09735	2.0
163.00305	1.6
164.01181	3.5
165.01924	24.0
179.03580	2.1
179.10715	2.0
203.07071	1.6
205.05046	2.4
207.80278	1.5
222.02515	1.5
243.10254	2.7
271.99164	1.6
272.99347	1.9
288.06348	3.0
299.99124	7.6
300.96265	1.3
300.99426	9.3
301.99612	9.7
315.01385	6.3
316.01559	6.4
317.01932	5.4
319.19144	1.8
331.19037	31.1
332.19717	2.5
371.20996	1.4
402.06616	1.5
411.14932	6.7
439.24963	5.5
483.23846	11.6
503.32510	7.5
521.33734	1.6
563.12885	9.2
563.19806	100.0
563.33740	3.4
564.12109	4.4
564.20490	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
56.05935	1.0
57.03440	1.7
58.00587	2.4
59.01376	100.0
61.98816	3.5
69.03469	1.6
71.01380	44.9
72.99297	3.0
73.02943	44.5
75.00864	2.1
79.95726	1.7
83.01376	13.9
85.02940	8.9
86.00060	1.2
87.00872	3.0
88.98816	1.9
89.02438	18.1
93.03471	1.8
95.01385	1.8
96.96008	23.8
97.02905	1.5
99.00871	3.4
101.02436	40.6
107.27641	1.2
111.00881	1.1
113.02435	18.5
117.03463	3.6
119.03492	4.3
121.02959	2.3
125.02435	5.9
131.03465	5.4
135.04504	1.7
137.02443	2.2
143.03482	3.0
145.02921	10.7
147.04492	1.2
149.02374	1.1
149.04530	6.1
150.03224	1.1
150.80696	1.1
151.03972	2.0
153.02007	1.4
155.03418	1.6
155.10750	3.3
161.04527	8.5
163.04018	1.7
166.06314	1.3
168.00620	1.4
169.01436	2.3
173.04544	1.8
191.05565	2.1
204.70171	1.1
221.06390	1.3
224.04758	1.5
238.06372	2.4
241.08624	2.5
255.10222	3.8
266.05966	2.2
269.08145	2.0
271.04782	1.7
281.08118	4.3
282.08963	2.5
283.09702	22.6
289.07132	1.7
294.08899	1.9
295.09714	4.7
296.10547	2.2
297.10968	1.4
298.11966	2.8
300.02777	1.8
309.11102	1.9
310.08408	2.1
310.11920	1.7
311.09213	55.9
314.07925	1.1
314.11597	3.0
315.12585	1.5
325.10748	5.2
326.11545	30.1
327.12106	3.1
329.13910	4.5
336.57666	1.2
341.13916	56.6
342.14227	2.6
355.12021	2.6
371.20651	2.8
389.25137	1.3
445.20728	3.3
458.15601	1.8
470.15256	1.3
473.18143	13.6
476.16678	2.8
485.18118	15.2
488.16736	1.6
491.19165	12.5
503.19089	18.1
503.25269	3.6
503.31747	2.1
525.23291	6.0
527.23907	2.1
533.20294	20.6
545.20343	14.4
546.21552	1.5
563.20715	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	563.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03456	0.9
58.00599	1.4
59.01377	19.2
69.03447	1.7
69.22062	2.6
69.89240	0.2
71.01379	13.6
72.99309	1.3
73.02945	8.5
75.00864	0.8
81.03481	0.6
83.01391	1.7
83.98135	0.3
84.51225	0.2
85.02946	9.8
86.00104	0.6
87.00874	4.1
87.04536	0.3
89.02435	5.4
93.03457	0.3
95.01395	0.6
96.96014	0.9
97.02959	0.3
97.59630	0.3
99.00882	1.0
99.04482	0.4
101.02434	6.7
103.04006	1.0
109.02942	1.1
111.00877	0.3
113.02438	3.3
115.00340	1.6
115.03982	0.4
119.03498	1.7
119.04957	0.2
121.02920	2.2
122.03761	2.1
125.02455	0.7
126.03214	0.3
133.05049	1.0
135.04518	6.0
137.02455	1.0
139.00383	0.6
143.03514	0.3
148.05280	0.9
149.04532	0.3
149.06100	2.0
151.04031	0.3
154.02766	0.3
157.01390	0.7
159.02975	0.7
159.04318	0.2
161.04567	2.6
164.04765	0.3
166.06339	27.3
167.07127	8.0
175.02470	3.6
179.05566	0.5
181.08691	34.9
182.09009	1.0
187.21526	0.2
195.06622	3.7
209.08118	0.6
235.08189	0.7
251.09097	0.6
289.07156	0.5
290.07410	0.3
295.05865	0.3
297.07639	1.1
300.30615	0.3
307.06085	0.3
309.07294	0.3
311.05511	0.4
312.12112	6.6
325.07013	0.7
327.14447	100.0
328.14786	4.3
353.06665	2.7
359.14920	0.7
383.07764	2.1
387.11694	0.4
395.07944	0.3
401.18170	4.7
443.09543	0.6
445.13065	0.3
483.13086	0.4
501.14691	0.3
503.12158	0.4
563.14099	6.7
563.23236	45.8
564.15118	0.5
564.23578	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	563.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
56.52765	0.5
57.03461	2.0
58.00612	1.5
59.01377	20.9
61.35736	0.4
61.98837	0.8
69.03477	1.8
69.46865	0.7
69.47267	3.0
71.01379	30.1
72.46661	0.5
72.99319	2.0
73.02943	11.1
75.00893	0.8
83.01384	5.1
84.02224	0.5
85.02946	17.6
87.00867	3.9
89.02444	5.2
95.01382	2.6
96.96030	1.1
97.02966	0.8
99.00871	3.2
101.02440	20.4
106.84641	0.4
107.01506	0.6
109.02957	0.5
113.02453	8.3
115.00401	1.4
119.03526	1.5
121.02975	1.3
122.03759	1.4
125.02445	2.0
135.04489	3.0
139.00400	0.5
145.05103	0.6
149.06052	1.0
159.03006	1.3
161.04579	3.8
163.89896	0.5
166.06337	10.6
167.07109	4.4
169.01439	1.9
175.02444	2.4
181.08691	25.2
182.09036	0.7
184.82982	0.4
195.06653	1.3
204.04347	0.8
209.08136	0.6
248.11862	0.5
263.76184	0.4
295.11163	0.5
312.12128	5.0
313.05692	0.9
313.12802	2.0
323.09940	0.5
327.14453	100.0
328.14728	4.9
401.18118	24.7
402.18210	1.0
439.62424	0.5
448.64902	0.5
489.19730	63.2
490.20047	5.3
563.14154	5.2
563.23285	27.9
564.15234	0.6
564.23792	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	563.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69773	1.1
59.01374	11.9
61.98830	10.2
69.03448	1.0
74.93664	1.0
80.02673	1.3
81.03451	2.3
83.01379	1.2
83.05016	6.2
84.02145	1.0
85.02978	1.2
87.00865	1.0
88.35738	0.9
89.02438	2.1
96.96001	4.3
97.02929	2.4
98.20663	2.5
99.00831	1.1
101.02432	1.7
103.23322	1.0
109.06591	19.3
111.04488	1.1
115.13097	0.9
116.33789	1.1
125.09705	2.8
128.30341	1.0
135.08130	3.2
135.92113	0.9
147.28731	0.9
149.04532	1.1
163.11282	15.0
165.12866	1.6
171.10248	2.1
181.12297	3.4
185.11823	4.8
189.09198	1.6
191.10820	1.8
199.09764	1.3
207.10243	45.9
208.10611	1.2
209.11810	100.0
210.12202	4.0
219.10098	1.1
222.57596	1.0
225.11313	28.1
227.12852	13.3
249.11261	1.7
281.13998	2.1
293.08795	3.9
299.15021	4.0
329.06442	4.7
373.23865	1.9
399.21832	2.0
417.22546	1.4
446.26093	1.3
473.25458	3.6
491.26654	1.8
503.33746	3.7
509.27945	1.7
510.28149	3.9
563.22742	3.0
571.47760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60266	0.3
53.13811	0.3
53.21976	0.3
55.01878	2.5
57.03447	3.2
58.00575	0.9
59.01377	42.0
61.98806	0.9
62.97918	0.3
69.03444	0.5
71.01379	40.5
72.99301	1.1
73.02941	13.5
75.00870	0.8
79.83974	0.4
81.03478	0.7
83.01382	5.7
85.02945	17.3
86.00080	0.5
87.00867	2.3
89.02441	16.9
95.01373	2.8
96.95985	1.2
97.02947	1.3
99.00872	5.5
101.02436	33.3
111.00883	0.7
113.02442	19.2
119.03481	3.5
125.02424	3.0
129.01917	0.8
131.03499	8.7
132.03821	0.4
137.02400	0.4
137.09683	0.5
138.47517	0.3
141.01851	0.4
143.03502	2.8
149.04543	4.7
149.09750	0.4
159.02977	3.0
160.05254	0.5
161.04544	14.2
175.07545	0.6
179.05573	0.7
184.43602	0.4
191.05594	2.1
194.02426	0.3
209.15442	3.6
226.70576	0.4
242.37653	0.3
300.02686	1.1
301.03516	0.3
311.09341	0.6
314.11469	0.5
329.13983	2.9
371.20694	100.0
372.21078	5.7
463.08600	1.4
496.10385	0.3
503.24954	40.6
504.25211	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	563.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03436	2.4
58.00584	0.9
59.01375	36.0
69.03447	1.0
70.14373	1.2
70.14764	2.0
71.01380	35.4
73.02939	10.7
83.01372	3.8
85.02945	13.3
87.00847	2.0
89.02442	26.8
95.01390	1.8
97.02921	1.5
99.00856	5.1
101.02441	27.0
113.02444	13.8
119.03496	8.9
125.02451	2.3
131.03488	6.8
141.79114	0.7
143.03490	2.5
148.89192	0.8
149.01564	0.8
149.04553	2.9
151.18375	0.8
159.02962	1.6
161.04520	10.5
179.05597	5.0
191.05621	2.1
209.15392	2.2
233.06561	1.3
311.57297	0.8
371.20688	44.4
372.21017	3.5
480.47205	1.1
503.24939	100.0
504.25229	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	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03432	3.2
58.00576	1.6
59.01377	100.0
61.98811	5.0
66.49368	0.7
67.86004	0.8
69.03451	1.7
69.33046	5.4
69.33453	1.4
71.01378	47.8
72.99289	2.4
73.02936	11.3
83.01389	6.8
85.02944	21.4
87.00859	2.4
89.02435	25.5
95.01377	3.5
96.95998	3.6
97.02972	1.7
97.06557	0.8
99.00871	6.6
101.01784	1.6
101.02434	30.3
102.02723	0.7
109.02946	1.0
109.25650	0.8
111.00893	1.3
113.01711	1.5
113.02441	20.4
119.03493	6.4
123.04466	1.0
125.02403	3.2
131.03488	18.1
143.03497	2.9
145.02849	1.3
149.04526	4.4
153.01875	1.1
155.10832	1.0
159.02989	1.6
159.04350	0.9
160.05402	0.7
161.04568	12.9
190.06306	1.1
191.05614	1.5
205.08800	1.1
285.04016	4.3
320.45572	0.8
326.11435	2.2
327.21634	2.6
341.13864	2.6
359.28027	5.0
369.91269	0.8
371.20685	43.9
372.20996	2.9
401.15997	10.8
503.24814	72.9
503.32199	45.0
504.25204	6.3
504.32703	3.4
521.26135	1.6
521.33313	18.4
522.33643	1.3
545.33325	1.2
563.34009	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	563.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
57.03440	3.7
58.00595	1.7
58.79100	1.5
59.01377	50.1
61.98832	8.6
66.86373	1.6
67.27013	1.6
69.03445	2.7
71.01379	53.1
71.17171	1.9
71.17502	2.8
72.99302	3.1
73.02934	20.1
74.99097	1.4
82.60153	1.8
83.01375	8.9
85.02947	26.3
87.00871	28.7
88.57568	1.9
89.02444	16.1
95.01370	5.2
96.95991	11.8
97.02934	1.7
98.13679	1.6
99.00891	10.6
101.02435	36.5
102.02754	1.6
113.02449	21.5
119.03470	1.9
122.12326	1.5
123.04501	2.1
125.02424	7.2
129.01949	3.0
131.03508	3.9
137.02437	1.9
143.03497	4.0
149.04543	2.4
159.02948	4.3
161.04539	20.6
169.01411	2.2
201.11171	2.6
209.11882	2.1
209.15431	3.2
233.39151	1.8
281.17535	17.9
293.08536	2.3
371.20724	100.0
372.20972	5.5
444.43369	1.9
458.68799	1.8
503.25098	58.1
503.32199	10.9
504.25378	3.8
563.18933	7.5
563.33716	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	563.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
57.03440	3.7
58.00595	1.7
58.79100	1.5
59.01377	50.1
61.98832	8.6
66.86373	1.6
67.27013	1.6
69.03445	2.7
71.01379	53.1
71.17171	1.9
71.17502	2.8
72.99302	3.1
73.02934	20.1
74.99097	1.4
82.60153	1.8
83.01375	8.9
85.02947	26.3
87.00871	28.7
88.57568	1.9
89.02444	16.1
95.01370	5.2
96.95991	11.8
97.02934	1.7
98.13679	1.6
99.00891	10.6
101.02435	36.5
102.02754	1.6
113.02449	21.5
119.03470	1.9
122.12326	1.5
123.04501	2.1
125.02424	7.2
129.01949	3.0
131.03508	3.9
137.02437	1.9
143.03497	4.0
149.04543	2.4
159.02948	4.3
161.04539	20.6
169.01411	2.2
201.11171	2.6
209.11882	2.1
209.15431	3.2
233.39151	1.8
281.17535	17.9
293.08536	2.3
371.20724	100.0
372.20972	5.5
444.43369	1.9
458.68799	1.8
503.25098	58.1
503.32199	10.9
504.25378	3.8
563.18933	7.5
563.33716	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	563.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50768	0.7
55.01874	1.6
58.00601	1.3
59.01379	26.8
61.98827	1.0
66.33387	0.8
71.01379	29.6
71.61279	0.8
71.61650	0.8
72.01703	0.8
72.99287	1.2
73.02939	8.8
79.95750	0.8
83.01404	4.1
85.02948	10.6
87.00881	1.8
89.02440	21.5
89.02994	1.0
95.01364	2.6
96.96011	10.3
97.02969	1.6
98.95587	5.1
99.00872	5.9
101.02441	20.6
111.00877	1.2
113.02450	14.8
115.03979	1.2
119.03504	4.6
125.02433	3.5
131.03477	3.1
137.02393	1.1
143.03477	1.7
149.04543	2.4
159.02930	2.0
161.04541	7.5
165.01950	1.9
169.01421	2.3
179.05486	1.0
191.05553	1.3
211.02501	2.5
213.76852	0.7
233.06598	1.0
236.92950	0.7
271.04544	3.3
329.17697	1.2
331.06699	1.5
331.18631	1.2
371.20712	8.7
463.07779	1.0
466.10687	1.7
475.82336	0.8
503.24963	100.0
503.31677	4.9
504.25473	6.2
521.33417	1.0
563.18488	12.3
563.27600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83157	0.5
59.01379	33.8
61.98833	0.9
67.01871	1.1
71.01384	8.3
71.61000	0.7
72.99274	0.6
73.02953	1.3
75.00870	0.6
79.08118	0.4
79.95728	0.9
82.95410	0.6
83.01368	1.1
85.02950	2.8
87.00868	2.1
88.98789	0.9
89.02441	5.4
93.03462	0.8
95.01379	2.2
96.96004	21.0
98.95605	0.8
99.00871	1.3
101.02429	2.6
108.02156	1.3
109.02924	1.4
111.00851	1.3
113.02444	4.7
115.00388	1.3
116.92888	1.3
117.01880	0.7
119.03499	1.9
121.02952	1.3
123.00882	11.8
123.04489	1.3
123.18990	0.5
124.01640	0.7
125.02432	1.7
127.00368	0.6
137.02448	4.8
137.99585	1.2
138.03215	24.5
139.00385	1.9
139.03934	0.5
141.01715	0.6
153.01924	1.4
153.05565	24.5
154.02664	0.9
154.05829	0.5
155.03391	1.1
161.04538	1.1
163.04008	0.6
165.01910	2.3
165.32138	0.7
166.99860	5.3
169.01425	1.4
175.02480	1.9
180.04216	0.7
181.01436	3.4
181.05042	0.7
182.02202	28.7
183.02605	0.6
195.06610	0.8
196.03679	2.5
197.04532	91.4
198.04846	2.6
211.06201	1.4
219.70958	0.6
224.03282	2.7
229.13446	2.7
239.05591	14.1
269.06613	2.6
271.04639	0.9
271.41019	0.6
289.07184	0.7
293.12222	0.6
299.07681	1.7
299.10687	0.6
311.63412	0.5
343.10300	100.0
344.10715	4.2
359.09842	16.0
378.82529	0.6
389.09940	1.6
507.93594	0.6
527.14270	0.9
565.14734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.6
61.77014	5.4
61.98820	60.8
64.82508	6.4
65.81003	5.3
67.17953	5.3
69.25567	25.6
69.26004	25.7
70.39612	5.7
71.01382	35.6
73.02924	7.7
83.01358	6.9
89.02442	65.7
99.00861	5.7
101.02441	22.6
125.02433	21.3
131.03459	9.6
140.14796	5.1
149.04524	60.9
151.74306	5.8
191.05573	10.3
233.06526	10.8
235.17024	19.1
292.54041	5.4
293.08774	100.0
294.09351	5.8
311.09937	11.5
329.06381	87.9
431.30338	6.9
459.87671	5.6
565.24316	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03439	2.6
59.01377	30.1
61.98817	7.2
65.57270	0.9
69.03448	1.9
71.01376	36.8
72.99298	2.3
73.02933	14.5
75.00855	2.1
79.95725	2.0
80.96511	1.5
81.03481	1.4
83.01384	4.5
85.02943	13.2
87.00863	4.8
89.02438	22.2
93.03450	1.2
95.01373	2.3
96.96003	9.2
97.02930	3.3
98.19870	2.7
99.00862	10.4
101.02439	25.4
113.02453	13.5
115.03993	2.4
119.03513	2.7
121.02930	1.2
123.00853	1.3
123.04502	1.5
125.02411	6.4
131.03502	3.8
137.02437	1.7
142.06598	1.4
143.03529	1.4
149.04526	6.4
149.06105	1.2
159.02951	1.4
161.04518	9.5
163.03931	1.3
164.04784	3.6
174.71593	1.0
178.25063	1.0
179.07095	7.1
191.05597	2.3
265.72021	1.2
293.08725	2.0
312.99927	1.3
343.04364	1.7
350.31995	1.4
373.22385	9.5
505.26563	100.0
505.33508	5.8
506.27139	5.0
523.34674	1.3
564.73779	1.7
565.12152	3.5
565.23651	9.8
565.74390	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	565.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
55.23886	0.4
57.03440	1.1
58.00597	2.5
59.01375	100.0
71.01377	37.6
72.99316	1.9
73.02945	3.3
79.89702	0.4
83.01379	1.9
85.02942	7.5
87.00889	1.4
89.02438	68.4
90.02748	0.5
95.01382	0.8
99.00872	3.1
101.02437	27.7
102.89649	0.4
113.02444	10.6
119.03496	9.5
125.02456	1.8
129.01907	2.2
131.03494	53.2
132.03835	0.5
143.03514	2.4
149.04544	59.7
150.04874	0.9
161.04527	2.6
173.04558	1.3
173.61716	0.4
174.01672	0.7
179.05598	11.2
191.05595	33.4
192.05974	0.9
221.06677	4.7
242.20761	0.4
251.07719	4.9
281.08673	0.8
293.08707	1.0
311.09824	4.4
373.22189	3.2
395.82413	0.4
505.26508	9.5
506.26758	0.9
582.79968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
56.18364	0.7
57.03449	1.0
58.00577	1.4
59.01379	25.0
61.98808	0.8
66.54565	0.7
70.60571	1.2
70.60949	1.4
71.01380	23.2
72.99305	1.7
73.02940	7.7
83.01380	1.6
85.02938	6.6
86.27557	0.8
87.00869	1.2
89.02441	25.8
95.01368	1.1
97.02960	0.8
99.00881	6.2
101.02438	17.8
113.02459	10.8
115.04009	0.8
119.03491	6.2
125.02437	1.3
131.03459	2.3
143.03481	1.6
149.04532	3.3
159.03035	0.8
161.04549	5.5
191.05586	1.7
233.06538	0.9
293.08841	1.1
373.22333	7.1
447.36508	0.9
505.26520	100.0
506.26852	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	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03458	2.6
59.01373	53.5
61.88686	1.8
61.98838	11.0
65.94899	2.1
71.01377	32.0
73.02950	7.7
83.01389	8.0
85.02937	14.1
89.02428	15.7
95.01382	2.3
96.95998	5.8
99.00872	5.5
101.02440	23.7
111.00871	2.6
113.02460	13.3
113.12652	1.7
119.03531	4.1
143.03578	3.0
149.04605	2.2
161.04541	6.5
179.05609	3.0
343.28510	4.0
505.27197	4.4
505.33789	100.0
506.33902	8.5
554.28558	2.1
565.24005	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32224	0.5
52.82617	0.4
55.01874	1.8
57.03442	4.8
58.00589	1.4
59.01377	78.6
60.01711	1.2
61.01812	0.6
61.98827	46.9
64.87471	0.5
68.99818	0.6
69.03463	1.7
71.01379	32.6
71.05032	0.5
71.60373	0.4
72.99317	2.3
73.02938	10.2
73.17880	0.4
73.93909	0.4
73.95145	0.4
73.95620	0.4
75.00887	1.4
75.84884	0.5
80.96535	0.5
81.03466	1.1
82.95435	0.5
83.01389	8.0
85.02951	15.7
85.03458	0.8
86.00098	0.8
87.00885	3.5
87.04507	1.3
88.98806	0.9
89.02442	16.2
95.01395	4.3
96.96018	4.1
97.02983	2.4
97.06596	0.8
98.95621	0.5
99.00876	7.5
99.04527	0.8
101.02438	24.1
102.98589	0.9
108.98624	0.5
109.02974	0.5
110.53453	0.4
111.00874	2.4
112.01685	1.2
113.02447	13.9
113.03248	0.7
115.04034	1.2
116.92869	1.4
118.38601	0.5
119.03484	4.3
121.02917	0.7
122.03734	0.7
123.00888	1.3
123.04523	2.6
123.08165	1.0
124.01651	1.2
125.02441	6.7
125.09751	0.6
129.01920	0.7
131.03491	3.3
135.04532	0.5
137.02446	0.5
137.09711	1.0
138.03267	0.5
139.11292	2.8
143.03496	2.6
143.10803	0.7
147.04535	0.5
149.04552	2.2
150.03238	1.1
151.00415	1.3
153.01968	0.5
153.05627	1.0
153.09181	0.9
155.10834	0.7
159.03017	1.9
161.04543	5.7
164.04773	1.1
165.05627	0.8
165.09256	1.0
166.99892	0.6
169.01390	0.8
170.59334	0.6
171.13972	2.1
175.03963	1.0
177.01993	1.0
179.05649	1.0
179.07190	1.2
179.10817	0.9
182.02255	1.3
183.14087	0.5
187.13445	1.6
191.05638	1.1
195.06610	1.0
197.04491	2.8
197.08194	1.3
200.14243	0.6
201.11311	6.8
201.14935	2.6
209.08098	3.0
221.06589	0.8
277.21948	0.6
315.25400	1.0
343.28488	1.0
359.28214	2.1
360.28455	0.6
361.29501	9.9
361.33792	0.7
362.29993	0.5
372.10934	0.6
373.22162	4.4
374.22665	0.5
407.33313	0.6
457.31836	0.7
475.32849	0.9
476.23395	0.8
487.32410	0.7
503.17618	3.0
504.32663	0.9
505.26636	45.5
505.33987	100.0
506.26974	4.1
506.34274	7.1
523.34747	23.3
524.35474	2.0
533.13733	0.6
565.21844	1.4
565.28821	1.7
565.36682	3.3
566.26556	22.9
566.76874	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46792	0.1
56.36060	0.1
59.01376	1.2
61.01781	0.1
61.98826	100.0
62.98550	0.1
69.53005	0.8
69.53416	0.3
71.01379	1.0
73.02953	0.4
85.02968	0.5
89.02473	0.3
96.96021	0.4
99.00916	0.2
101.02467	0.7
113.02464	0.4
119.03498	0.3
139.72781	0.2
141.58301	0.1
153.01903	0.3
159.15309	0.2
161.04538	0.2
179.03522	0.2
194.05853	0.2
209.08163	0.3
233.56706	0.1
364.40622	0.2
371.20877	0.4
372.20959	0.8
373.21277	0.8
374.21561	1.1
440.33075	0.2
505.25739	0.3
506.26556	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	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48245	0.1
50.85772	0.1
51.00705	0.1
59.01365	0.3
61.98825	100.0
62.28337	0.1
63.12189	0.1
66.72521	0.1
69.23576	1.0
71.01372	0.3
73.02959	0.1
81.38028	0.1
88.98830	0.2
89.02452	0.2
96.95999	0.1
98.20657	0.2
99.00848	0.1
101.02447	0.2
147.20950	0.1
151.00331	0.3
177.01947	0.1
210.53543	0.1
263.01947	0.1
272.06387	0.1
319.72620	0.1
506.26468	0.7
566.16150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14689	0.1
59.01378	1.8
61.98828	100.0
62.98532	0.2
63.88244	0.1
70.97498	0.3
71.01382	1.1
75.00864	0.2
81.03451	0.1
85.02963	0.4
89.02456	0.6
95.01398	0.2
96.96016	0.6
99.00871	0.2
101.02457	0.7
102.59595	0.2
113.02466	0.5
115.54182	0.2
125.02431	0.1
132.84723	0.2
137.02435	0.2
313.43069	0.2
361.27658	0.2
441.63458	0.2
506.26285	0.5
535.24634	0.4
565.45178	0.2
566.16180	0.2
566.25922	0.8
566.75964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.114
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
51.91763	0.4
52.91168	0.4
55.01870	0.4
57.03439	0.9
59.01373	9.8
61.98826	27.3
62.87555	0.4
65.00326	1.2
69.03473	0.4
71.01374	8.0
72.99300	0.9
73.02952	2.5
74.99097	0.7
75.00862	0.8
77.50019	0.4
79.95734	0.7
80.96455	0.5
83.01389	1.6
83.05021	0.8
85.02940	3.0
85.12170	0.3
87.00861	1.2
88.98812	2.7
89.02443	7.0
93.03450	5.6
95.01365	1.3
96.96008	4.3
97.02946	0.7
99.00870	1.7
101.02442	3.6
102.98547	0.5
107.01382	2.5
109.02958	0.9
111.00880	1.1
113.02439	3.0
115.04008	0.4
117.03459	1.4
119.03512	0.9
119.05029	0.9
120.99654	4.0
121.02914	1.4
122.03696	0.7
123.00909	0.9
123.04525	0.9
125.02450	4.7
127.03987	0.7
131.03458	1.1
132.02167	1.3
135.00862	1.4
135.04492	0.8
136.01711	0.4
137.02441	7.7
139.00331	0.7
143.05016	0.4
145.02908	1.6
145.05023	0.7
149.02440	0.6
149.04478	0.9
151.00362	5.2
151.03983	0.7
152.14680	0.5
159.04497	0.8
161.02423	1.0
161.04562	0.7
163.00342	0.9
163.04019	1.3
164.01111	0.5
164.48183	0.4
165.01924	0.4
165.05585	0.5
166.06375	0.5
168.00653	0.7
169.01436	2.2
171.04614	0.7
174.01682	0.8
175.03894	0.6
179.03482	0.7
181.05101	0.5
181.08644	0.6
183.04427	1.1
184.05255	0.4
185.06120	0.9
185.11797	0.5
187.03970	1.2
187.07729	0.4
191.05527	0.8
195.06621	0.5
199.03882	0.8
200.04694	0.8
211.02301	0.5
211.04004	2.5
212.04703	0.9
213.05537	0.8
213.14948	1.5
213.54356	0.4
227.03471	36.2
228.03850	1.4
229.05011	4.3
233.06610	1.6
239.03354	1.4
240.04337	0.6
241.04964	0.8
255.02968	62.6
256.03635	9.5
257.04568	4.1
271.06204	0.9
281.06616	0.6
283.02307	0.7
283.36340	0.4
284.03235	87.7
285.03961	26.6
286.04272	0.9
288.33267	0.5
293.08813	2.8
327.05121	0.8
327.14383	3.0
369.22876	0.6
387.23810	0.9
391.07898	0.4
429.07922	0.7
447.09338	0.8
506.34134	1.1
524.34540	0.5
567.11407	100.0
567.23633	7.4
567.30548	3.4
568.11713	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01379	4.6
60.99315	0.7
61.98828	40.5
62.98505	0.4
65.00332	1.2
70.97050	0.8
71.01375	4.5
72.99301	0.6
73.02944	1.3
75.00864	0.8
80.96541	0.4
83.01391	1.5
85.02943	2.4
85.71255	0.3
87.00883	0.7
88.98809	4.9
89.01973	0.4
89.02438	2.0
93.03451	5.1
95.01360	0.8
96.96004	5.4
97.02956	0.5
99.00880	0.8
99.04543	0.6
101.02420	3.1
107.01389	3.3
108.02143	0.6
109.02957	1.3
111.00824	0.4
113.02463	1.9
117.03457	0.9
119.03475	0.4
119.05020	0.8
120.99638	0.8
121.02959	0.8
123.00903	0.8
123.04534	0.7
125.02445	2.5
132.02187	0.9
135.00882	0.9
135.04510	1.6
136.01707	0.4
137.01436	0.6
137.02434	6.8
137.05975	0.4
139.00438	0.4
141.01654	0.4
143.05043	0.5
145.02917	1.0
149.02425	0.4
150.03157	0.4
151.00348	5.7
151.03972	0.8
153.01889	0.7
157.06561	0.8
159.04507	1.1
161.04597	0.6
163.00334	2.0
164.01091	0.6
165.01941	0.5
167.05046	0.6
169.01474	1.9
171.04535	0.6
178.99857	0.4
179.03450	1.4
183.04518	0.8
185.06087	1.0
187.03960	1.9
188.28706	0.4
189.05591	0.8
195.04469	0.8
196.05322	0.5
197.06050	0.8
199.04001	1.5
200.04750	1.0
201.05519	1.1
202.06429	0.4
211.04001	2.1
212.04700	0.8
213.01791	0.4
213.05536	1.2
214.02667	0.6
227.03482	31.7
228.03908	1.4
229.05028	7.2
237.14891	0.5
239.03468	1.6
240.04166	0.6
241.05077	1.0
255.02968	56.2
256.03659	8.6
257.04565	6.0
267.03003	0.5
269.04324	0.5
281.06689	2.7
283.02408	0.6
284.03244	69.6
285.04013	62.2
286.04349	2.3
289.07089	0.5
325.01428	0.4
398.11020	0.4
401.79114	0.4
411.16452	0.5
447.09384	1.4
506.26944	0.7
507.28125	0.5
531.18591	1.9
567.11395	100.0
567.24286	4.6
568.11749	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	567.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01376	36.9
60.01721	2.7
61.98827	100.0
69.03468	2.8
71.01386	23.0
72.99300	4.8
73.02934	7.7
78.95895	5.4
79.95746	3.4
80.96500	2.4
81.59518	2.2
82.95442	12.6
83.01372	4.0
85.02950	5.2
89.02450	15.3
95.01366	2.2
96.95991	9.7
99.00876	5.8
101.02442	16.4
109.06620	2.4
110.65652	2.3
112.56860	2.5
113.02441	11.1
117.96600	2.1
119.03439	2.8
125.02410	6.0
129.24817	2.1
131.03505	3.3
137.02414	3.4
145.02968	2.3
149.04518	8.6
156.90439	2.1
161.04518	3.2
212.03015	2.3
214.12262	2.4
222.96126	2.1
298.66071	2.3
345.30328	2.4
375.23346	2.9
507.35226	18.0
529.26599	2.8
531.27985	41.2
532.27844	2.5
567.25745	64.5
568.26355	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	567.3665
Annotation	Integracin C
Peak:m/z	Relative Intensity
59.01401	1.1
61.98824	3.5
63.12952	0.4
71.05042	0.7
78.71049	0.5
83.00014	0.5
95.05104	0.5
97.06583	4.7
110.75379	0.6
119.29507	0.5
127.34782	0.4
147.40251	0.4
153.59927	0.5
175.22455	0.5
181.80539	0.5
201.85385	0.5
213.05638	0.5
270.36670	0.5
271.48672	0.5
308.65552	0.5
375.26730	0.9
389.28506	1.9
391.30139	3.6
405.31610	6.5
407.33102	10.1
408.33478	1.1
423.28702	0.6
437.30798	0.8
439.32291	2.3
441.33707	8.8
451.32120	42.2
452.32556	3.7
453.33701	75.1
454.33997	6.0
471.34714	1.6
485.36267	11.2
497.32813	4.0
567.36591	100.0
568.36871	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	567.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03434	5.7
59.01377	51.3
61.98826	47.9
71.01379	30.4
72.99306	1.9
73.02948	12.4
74.53311	1.3
75.00875	3.8
78.95911	2.6
79.59635	1.6
80.57922	1.2
80.91671	2.1
82.95420	13.5
83.01382	5.3
85.02944	13.3
87.00874	2.3
89.02438	6.3
92.19665	1.4
95.01382	3.3
96.96002	7.9
99.00887	6.6
101.02441	24.7
103.90270	1.3
111.00882	3.8
113.02449	14.1
119.03503	1.5
122.75131	1.4
123.04536	3.6
123.44608	1.6
125.02509	2.9
137.02448	3.4
144.85851	1.4
145.02995	1.3
149.04538	1.9
153.05583	2.7
155.10872	2.1
159.03020	2.7
161.04521	4.2
179.10730	2.7
199.09676	1.9
209.11795	1.4
227.99182	1.3
246.98889	2.6
270.17801	1.4
299.25769	1.9
345.30063	3.6
375.23868	1.9
399.19061	1.4
507.35309	100.0
508.35971	7.3
531.28308	2.9
567.12872	1.6
567.25494	8.6
568.23358	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98826	100.0
69.87229	0.6
69.87597	0.2
71.01393	0.5
72.99325	0.1
78.23840	0.1
85.02965	0.2
85.43546	0.1
85.68901	0.1
89.02458	0.2
96.96008	0.3
101.02455	0.2
125.02447	0.2
126.04861	0.1
150.00056	0.1
169.01442	0.2
186.50829	0.1
191.38751	0.1
193.05115	0.1
204.39873	0.1
215.65100	0.1
250.83644	0.1
285.03961	0.6
286.04373	0.2
310.33481	0.1
329.02725	0.2
330.02982	0.1
343.04486	0.3
344.05240	0.2
345.05154	0.2
346.05380	0.3
476.06860	0.1
536.61328	0.1
569.22607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
60.01707	0.2
61.98828	100.0
66.55003	0.1
71.01384	0.9
72.01723	0.2
73.02940	0.3
79.95702	0.2
83.01383	0.1
85.02970	0.3
89.02425	0.7
90.02773	0.1
96.96006	0.2
98.20677	0.2
99.00879	0.1
101.02445	0.7
102.02792	0.2
113.02452	0.3
130.02541	0.1
131.03516	0.3
132.03835	0.2
149.04590	0.3
150.04955	0.1
161.04573	0.2
167.56657	0.1
169.01456	0.2
243.96840	0.2
265.77325	0.1
373.22342	0.2
374.22638	0.6
375.23032	0.6
376.23102	0.6
451.80856	0.1
466.59796	0.1
506.27414	0.1
507.27206	0.3
508.27249	0.9
567.50903	0.1
568.17877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44226	0.2
52.85809	0.2
55.61521	0.2
55.67561	0.2
59.01368	0.4
61.98826	100.0
69.40379	1.1
71.01377	0.3
82.50546	0.2
86.59827	0.2
89.02446	0.2
96.95995	0.3
101.02470	0.3
115.37305	0.2
412.18176	0.2
507.27057	0.4
508.27313	1.0
579.24115	0.2
597.85376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43882	0.2
59.01377	4.0
60.01704	0.5
61.01804	0.6
61.52388	0.2
61.98829	100.0
62.97141	0.2
69.26546	1.9
71.01385	1.4
72.01715	0.3
73.02935	0.2
74.81814	0.2
85.02984	0.2
89.02438	1.8
90.02792	0.5
91.02865	0.4
96.96014	0.2
98.19747	0.2
101.02440	1.0
102.02796	0.2
113.02479	0.4
116.92902	0.4
119.03516	0.3
131.03511	1.3
132.03854	0.6
133.03943	0.6
141.45528	0.2
146.83150	0.2
149.04564	1.4
150.04880	0.5
151.05013	0.7
166.05945	0.2
179.05678	0.3
191.05690	0.4
192.05963	0.5
193.06186	0.4
325.41110	0.2
406.73337	0.2
508.27835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.61506	0.1
61.98825	100.0
62.13326	0.1
69.40477	0.7
71.01385	0.3
73.02929	0.2
85.02960	0.1
89.02442	0.2
96.96014	0.3
101.02417	0.2
113.02486	0.2
125.02455	0.1
135.08044	0.1
145.03015	0.1
154.84561	0.1
186.42964	0.1
484.04004	0.1
507.26831	0.1
508.27563	0.3
547.29639	0.1
551.32050	0.1
567.77240	0.3
568.25043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98827	100.0
69.39368	0.8
71.01394	0.3
85.02979	0.1
89.02445	0.1
95.01998	0.1
96.53294	0.1
96.93828	0.1
96.96027	0.3
97.18374	0.1
99.00933	0.1
101.02457	0.2
109.53535	0.1
163.59299	0.1
356.23630	0.1
406.02979	0.1
508.27682	0.4
529.20465	0.1
567.77209	0.2
568.25562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98826	100.0
70.88239	0.2
70.88560	0.3
71.01382	0.8
73.02930	0.3
75.00885	0.3
78.95911	1.1
79.95720	0.2
83.01385	0.3
85.02943	0.6
87.00874	0.2
89.02437	0.4
89.25378	0.2
96.96009	0.9
99.00891	0.3
101.02456	0.7
107.15271	0.2
113.02448	0.3
125.02383	0.2
137.02437	0.4
163.03998	0.2
165.59312	0.2
508.28796	0.2
508.35895	0.8
568.26685	0.4
569.28278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23336	0.2
57.03461	0.3
59.01372	3.8
60.01707	0.3
61.98827	100.0
70.73148	0.6
71.01381	2.5
72.99306	0.3
73.02941	0.8
75.00870	0.4
83.01393	0.4
85.02940	1.4
87.00901	0.4
87.04503	2.5
89.02461	1.4
93.03413	0.3
95.01418	0.4
96.95998	2.0
97.02895	0.3
99.00877	0.6
101.02463	2.2
111.00888	0.4
113.02464	1.0
125.02463	0.5
131.03531	0.4
134.48251	0.3
137.02437	0.6
143.03587	0.3
153.09328	0.3
155.10785	0.8
161.04636	0.5
209.11873	0.4
239.15860	0.3
256.93124	0.3
377.21793	0.6
381.64905	0.3
405.72040	0.3
487.25421	0.4
507.35785	0.4
508.35718	2.1
536.25867	0.3
568.27496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01383	2.1
61.98828	24.0
63.02382	1.2
65.00322	14.1
69.55347	2.1
71.01379	1.3
73.02917	0.4
75.00893	0.4
79.95713	0.4
83.01382	6.1
85.02950	0.8
88.98801	0.3
89.02428	0.5
91.54984	0.3
93.03450	2.2
95.01395	0.4
96.96011	2.1
97.02962	0.4
98.20608	0.6
101.02429	0.9
103.01906	0.5
107.01386	22.0
107.05032	0.5
108.97870	0.3
109.02951	4.3
113.02419	0.6
117.03473	0.4
119.04960	0.4
121.02930	0.5
123.00829	0.5
123.13398	0.3
125.02444	10.7
131.01341	1.8
133.02937	2.7
134.03737	1.3
135.04517	65.2
136.01657	0.5
136.04868	1.7
137.02437	4.9
145.02942	0.6
149.02415	1.1
151.00359	100.0
152.00674	1.9
153.01953	1.3
159.04434	0.4
161.02434	8.8
165.01929	3.0
167.03529	0.3
169.01405	1.1
175.00357	7.6
176.00600	0.3
177.01918	4.1
179.03482	1.2
191.03577	0.3
193.01389	1.6
195.03012	0.4
205.01411	0.5
211.64468	0.3
217.01233	0.5
219.78668	0.3
239.05586	0.8
269.04636	0.9
271.06177	0.7
281.06668	8.4
282.07166	0.4
285.04053	0.5
287.05588	70.1
288.05902	3.2
297.06125	1.3
311.05594	1.0
329.06485	0.8
341.23459	0.4
371.24313	10.4
371.28998	0.5
372.24408	0.3
380.07233	0.3
423.09286	1.0
433.07693	2.4
459.09262	1.3
533.30060	0.4
550.90710	0.3
569.12976	40.7
569.26331	2.4
570.12994	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	570.3405
Annotation	Veratrosine
Peak:m/z	Relative Intensity
51.41080	0.4
57.99339	0.4
58.25498	0.4
61.58064	0.4
61.98827	100.0
71.15940	1.0
74.55201	0.4
78.95894	2.5
83.61079	0.4
84.39002	0.4
96.96939	0.5
97.06593	1.1
109.65313	0.4
126.01766	0.4
152.99567	2.3
207.45981	0.4
241.01205	1.7
243.44507	0.5
255.23198	4.1
284.27414	0.4
391.29968	1.1
405.31580	1.0
407.33185	1.3
451.32034	6.4
453.33691	7.2
454.33926	1.0
456.34821	0.5
570.34045	85.6
571.27869	2.2
571.35815	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	570.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
57.11243	0.2
59.01376	1.9
61.98828	100.0
69.36378	1.5
71.01385	0.9
73.86819	0.2
75.00892	0.4
82.95412	1.5
84.95113	1.1
85.02959	0.3
85.67639	0.2
87.04517	1.2
89.02454	0.3
96.95998	1.2
101.02465	0.5
111.93636	0.2
113.02500	0.3
125.02473	0.5
130.23938	0.2
131.03490	0.2
137.02457	0.2
152.99698	0.2
155.10817	0.4
167.61855	0.2
167.98587	1.2
209.11862	0.2
232.26527	0.2
457.18619	0.2
510.27298	0.3
570.30188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75647	0.7
84.97383	0.3
96.96012	0.4
101.35082	0.4
120.52542	0.3
138.65314	0.4
147.23119	0.4
164.56488	0.4
181.95462	0.4
225.91708	0.3
241.98773	0.5
254.99405	1.0
257.00955	0.5
269.98022	9.5
270.98300	0.5
274.54279	0.4
285.00388	11.0
286.00815	0.5
297.97519	38.1
298.97958	2.1
312.99872	74.1
314.00250	4.2
328.02216	62.9
329.02530	3.0
444.41287	0.4
476.05829	4.8
491.08279	100.0
492.08694	5.7
571.03845	6.9
571.18365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19858	0.5
59.01383	7.2
61.98823	3.3
69.34832	4.9
71.01367	2.2
72.99308	0.7
73.02919	1.0
74.95909	0.6
75.00864	0.8
79.63449	0.6
79.95737	4.7
80.96490	1.1
82.03445	0.5
85.02933	1.8
87.00855	1.0
89.02433	1.7
93.03456	1.2
96.96005	16.4
98.19938	1.3
101.02404	1.3
105.61600	0.6
109.02955	1.4
113.02421	1.3
117.03425	1.0
121.02937	6.0
122.03693	1.0
123.04458	0.8
125.02390	1.6
127.94318	0.7
131.03531	0.8
133.03117	0.7
135.04501	1.5
137.02368	1.3
144.73395	0.6
145.02953	6.3
146.03723	1.1
147.04550	1.2
149.02405	1.0
149.04454	0.8
149.05959	0.8
150.03194	2.4
151.03990	1.1
159.70879	0.7
161.06017	1.9
165.05513	1.5
167.07115	0.8
169.01350	0.8
179.07109	0.9
181.08669	0.6
191.05630	1.1
195.06602	1.2
205.04689	0.7
227.07149	0.7
233.55356	0.6
237.05556	0.8
240.04294	0.7
241.04906	0.7
250.95175	0.6
251.06876	0.8
255.06552	4.2
256.07269	1.8
265.08545	1.2
267.06488	2.6
268.07242	1.1
269.08221	6.1
277.08737	1.6
281.08063	2.0
282.08994	1.8
283.09760	1.2
285.11215	1.0
286.69086	0.6
288.06516	0.7
289.07147	1.7
295.09723	1.4
297.11319	1.5
297.97357	0.6
300.09839	2.7
301.07568	0.9
301.10663	3.1
312.09982	1.0
312.99924	0.7
313.10709	1.7
315.08588	0.7
315.12357	2.5
327.12354	2.2
329.10175	2.4
341.10214	2.0
343.11887	0.8
429.15619	0.7
445.14792	0.8
446.15775	13.7
447.16284	0.8
458.15805	19.1
459.15732	1.7
461.18155	61.4
462.18256	3.6
464.62515	0.7
473.18076	10.5
474.18677	1.0
485.17014	0.9
491.08029	1.2
527.17737	2.5
541.06183	1.1
541.13843	14.0
542.14056	1.1
571.14783	100.0
572.15271	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	571.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.1
58.80218	1.2
59.01369	7.7
61.98834	3.5
69.03472	1.2
71.01380	4.3
71.05024	1.4
71.60040	1.7
72.99310	1.4
73.02939	2.4
75.00849	1.3
78.76214	1.0
79.95741	2.3
85.02938	2.0
89.02441	3.8
93.03457	4.8
96.96003	23.3
97.02945	1.1
101.02431	2.9
109.02945	2.0
113.02461	2.2
117.03494	1.2
119.04906	1.2
121.02975	5.7
122.03748	12.4
123.04545	2.4
125.02406	2.3
133.02971	2.1
134.03719	1.5
135.04506	3.4
136.01697	1.6
137.02396	3.4
139.04008	3.1
149.02425	23.9
149.66330	1.3
150.03220	100.0
151.03923	3.6
160.01686	1.6
161.04549	1.2
164.04774	6.6
165.05557	89.1
166.05971	2.0
167.07109	2.7
179.07182	1.4
180.04253	8.1
180.07851	1.9
181.05043	2.1
195.04807	2.5
195.06610	52.3
196.07042	1.7
196.29308	1.0
208.07507	1.7
212.04762	2.6
228.04283	2.2
229.55002	1.2
241.05093	1.3
256.03760	5.2
267.06580	2.1
269.08154	3.4
271.09723	2.6
283.09683	2.3
285.00446	1.6
287.09344	1.6
297.07684	4.2
297.11108	1.3
298.98331	3.2
299.09268	2.8
299.12689	1.7
310.08383	1.6
311.09207	8.5
312.10052	1.9
313.00046	2.7
314.00613	3.3
314.08060	1.3
315.08670	4.5
326.07953	1.2
326.11795	2.7
327.08670	8.9
327.12341	4.6
329.02975	12.2
329.13864	2.2
330.11026	14.6
342.11017	2.8
343.11801	1.3
345.13397	65.8
346.13626	2.9
357.13416	23.0
358.13727	2.1
362.90213	1.0
365.74524	1.2
374.98264	1.1
375.14474	7.4
409.14438	1.1
433.19574	1.2
449.16156	1.2
461.16528	1.2
491.08575	5.9
493.18677	10.7
494.19049	1.4
523.19708	45.1
524.20148	4.7
533.25909	1.8
535.31311	24.8
571.21277	10.8
571.28906	36.2
572.21655	1.8
572.29388	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	571.2881
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.97674	0.8
55.74054	0.7
56.03542	0.7
56.04691	0.8
59.01365	0.9
61.98825	2.8
71.29512	1.4
73.38764	0.7
78.95900	55.2
79.63844	0.7
96.96030	1.0
96.96947	12.5
117.94801	0.8
152.99580	50.7
187.29893	0.7
223.00056	1.9
241.01170	25.9
255.23264	63.5
256.23615	3.4
296.73477	0.8
315.04895	6.7
318.22171	0.9
391.22528	4.1
571.28833	100.0
572.29114	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	571.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03455	2.7
59.01378	19.9
59.29649	1.8
60.07090	1.4
61.98828	15.5
71.01374	17.7
73.02949	8.9
75.00856	2.5
78.95884	2.6
79.95733	9.5
83.01388	3.0
83.05046	1.8
85.02957	8.4
87.00877	4.2
88.98825	2.4
89.02456	4.3
93.03441	2.5
95.01380	3.3
96.95999	55.9
97.02949	1.8
99.00877	4.0
101.02449	12.6
101.27682	1.9
108.02139	2.1
111.00890	1.8
113.02468	9.9
119.03572	2.9
119.05046	2.3
121.02930	3.2
122.03736	4.9
123.00913	3.0
123.04531	1.8
124.55193	1.6
125.02489	3.3
125.06164	2.0
134.03741	5.4
135.04520	3.0
137.02484	2.4
139.07716	2.3
146.03752	7.2
149.02431	4.9
149.04541	2.0
149.06085	6.9
150.03212	21.4
151.04039	3.4
155.10789	2.3
159.02995	2.6
161.04620	4.1
161.06137	5.8
163.03935	2.3
164.04813	5.6
165.05530	20.0
179.07117	15.6
179.10786	2.1
180.04202	2.5
195.06621	19.3
206.34879	2.3
227.03566	2.1
229.14351	11.8
259.02863	7.4
272.48749	1.9
277.62701	2.3
305.16125	6.3
327.08789	2.8
330.11087	2.8
345.13406	9.7
349.18640	100.0
350.18958	5.2
357.13461	3.9
373.26324	5.3
391.69598	2.1
427.24176	2.1
511.27936	6.0
517.30176	3.4
535.31287	18.0
571.14832	28.2
571.29077	72.6
572.15259	3.7
572.29718	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	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66064	1.9
57.03428	2.3
58.65905	1.9
59.01373	16.1
60.69027	1.8
61.98823	6.9
62.89099	1.8
68.03205	2.1
69.00867	2.2
69.03439	2.1
69.21953	20.0
71.01385	11.8
71.05011	1.9
72.42728	1.8
73.02960	5.0
79.95769	2.3
83.01415	2.4
85.02970	5.4
87.00895	2.1
89.02448	10.3
93.03494	2.7
95.01394	2.4
95.15536	2.2
96.96013	25.5
97.02929	3.1
99.00857	2.4
101.02428	9.8
102.88728	2.0
108.02164	1.9
109.03001	2.2
111.00865	2.2
113.02473	5.4
119.03538	3.8
121.02956	3.5
122.03730	8.7
125.02474	4.6
128.04131	2.2
130.07907	2.0
135.04608	3.0
136.01605	1.9
137.02455	2.5
137.09659	1.9
139.04024	5.3
149.02432	18.5
150.03217	72.3
151.03975	3.0
161.04494	2.9
164.04851	3.5
165.04149	3.7
165.05563	73.6
167.03496	3.0
167.07095	3.0
169.01477	2.1
179.05565	2.4
179.10716	2.2
180.04324	4.1
180.07921	2.0
183.02977	2.5
195.06635	39.6
196.06898	1.9
199.40404	2.0
204.14131	1.8
209.11786	1.9
212.04822	3.2
229.14394	12.5
240.87733	1.9
267.06985	2.0
297.07748	2.5
298.98386	3.4
299.13275	2.2
305.16101	6.4
311.09268	6.8
312.09903	2.3
313.00107	7.2
314.00745	6.9
315.08948	2.7
321.04034	2.5
326.11740	2.0
327.08737	5.0
327.12296	3.4
329.03064	17.0
330.11035	9.9
344.12433	2.2
345.13403	53.3
349.18539	9.3
357.13480	18.6
373.25995	4.3
375.14359	5.2
463.69077	2.6
489.65833	2.7
491.08316	8.9
493.18555	7.4
523.19641	34.2
524.20374	2.4
535.31201	80.7
536.31628	4.9
571.21594	11.7
571.29071	100.0
572.29431	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	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48510	0.5
57.03577	0.6
59.01223	3.2
59.01565	2.1
61.98670	7.5
61.99035	4.6
63.99150	0.6
71.01212	2.6
71.61507	0.6
73.02789	1.3
73.03158	0.8
75.00739	1.0
79.01801	0.6
79.95595	0.8
80.96355	0.8
83.01250	0.6
85.02802	1.2
87.00723	0.9
88.98660	0.9
89.02254	1.6
89.02758	0.7
95.01245	0.6
96.35804	0.5
96.95806	5.9
96.96494	1.2
97.06416	0.5
99.04370	0.6
99.41078	0.6
101.02253	1.6
102.10782	0.5
109.02770	0.6
113.02222	1.8
113.02926	0.6
116.04867	1.1
119.03352	0.6
119.04855	0.5
121.02837	0.8
123.08009	0.6
125.02246	1.3
125.09579	0.6
135.07967	0.6
137.02211	1.5
151.03790	1.1
155.10580	0.9
160.04025	15.6
160.05215	0.9
161.02098	0.6
161.04404	0.6
163.03795	0.7
165.05437	0.7
169.01201	1.2
179.10545	0.9
185.11801	2.8
195.06483	0.8
204.02823	0.8
217.10472	0.6
226.76978	0.6
239.13507	0.6
271.02328	0.6
277.12677	0.5
345.13565	0.7
349.18597	1.6
355.24979	2.7
371.24210	3.0
373.25897	100.0
374.26233	6.1
404.70114	0.5
415.27100	1.3
528.19440	0.7
533.17407	0.6
535.31189	0.9
571.19110	1.0
571.29242	21.7
572.17914	2.6
572.29163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.9
57.03603	0.7
59.01249	5.0
59.01580	2.1
61.98695	8.6
61.99057	3.3
65.00188	2.7
69.45728	1.3
69.46134	2.5
71.01232	2.8
71.01659	1.2
71.04906	0.7
72.99206	1.2
73.02816	2.1
75.00764	1.1
79.95580	2.1
80.40241	0.6
80.96361	2.1
83.01233	1.8
83.04903	0.5
85.02793	1.9
85.03284	1.0
87.00749	1.2
89.02283	2.2
89.02821	1.0
93.03329	0.8
96.95834	5.0
97.02841	0.5
97.06487	0.7
99.00749	1.0
101.02283	2.8
107.01211	4.8
108.01574	1.1
109.02763	1.6
113.02273	2.1
117.01865	0.6
117.03326	1.1
119.04852	0.5
121.02876	0.6
123.00729	0.7
123.04346	1.0
124.37052	0.5
125.02251	4.5
128.13271	0.4
133.02817	0.9
135.04321	11.5
135.05429	0.8
136.04840	4.6
137.02238	1.5
137.04932	1.3
139.11121	0.6
145.02730	2.0
150.03062	0.8
151.00362	19.0
151.01469	0.9
151.03897	0.7
152.00717	6.9
152.01863	1.0
153.00792	4.1
155.10645	1.3
159.04465	0.6
160.04019	4.5
161.02254	2.0
161.04454	0.8
162.02646	1.2
165.01842	0.8
165.05360	1.0
169.01242	1.4
175.00233	1.1
175.02275	0.5
176.00671	0.6
177.01772	1.1
179.10611	1.1
185.11624	1.7
186.87904	0.5
191.03488	3.0
215.12672	1.6
225.00565	0.7
227.03336	0.8
229.14375	0.6
234.94606	0.5
249.06003	0.5
261.06940	0.9
261.57120	0.7
271.02472	1.1
281.06696	0.7
285.03836	1.8
287.05597	6.0
288.05933	6.5
289.06143	7.6
301.03070	0.7
325.23651	0.5
343.24817	2.2
355.24893	3.3
371.24350	10.1
372.24582	0.8
373.25903	100.0
374.26279	5.6
386.37549	0.6
409.13156	1.0
415.26987	1.6
467.65613	0.7
468.16006	0.9
489.65704	1.5
490.16293	1.6
535.31744	1.7
571.13617	12.8
571.29169	19.3
572.29736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58073	2.2
59.01382	17.9
61.98822	6.8
71.01382	12.6
71.61812	3.2
73.02951	2.9
75.00867	2.4
76.17743	1.9
79.95744	2.4
80.96512	3.6
85.02967	5.3
87.00873	3.0
89.02451	9.3
89.63297	2.0
93.03474	4.3
96.96009	23.3
99.00957	2.1
101.02438	7.1
113.02463	6.1
113.73122	1.9
121.02956	5.6
122.03764	11.6
125.02421	3.0
131.38481	2.6
135.04536	3.2
137.02409	3.7
139.04048	6.0
149.02422	24.4
150.03226	78.5
151.03908	3.8
152.01170	2.7
161.04536	2.9
164.04811	3.6
165.05568	83.6
167.03549	6.2
167.07185	3.1
179.06998	2.0
180.04274	2.3
180.07851	2.4
183.02919	2.0
195.06618	42.5
195.29688	2.3
212.04831	4.9
229.14453	7.4
250.95160	2.3
256.03537	4.9
271.09891	2.9
271.20352	1.9
283.09845	2.6
285.00308	2.0
297.07843	2.8
298.98273	3.3
299.09207	3.1
305.16086	4.4
311.09317	7.4
312.09906	2.2
312.99908	3.8
314.00751	8.2
315.08627	4.4
326.11618	2.4
327.08713	9.4
327.12256	5.0
329.03003	22.6
330.03412	2.0
330.11139	14.0
345.13406	60.1
346.13779	2.4
349.18634	6.6
349.44040	2.1
357.13333	18.8
373.26205	4.6
375.14569	5.6
491.08292	15.4
492.08691	2.5
493.18793	7.9
523.19720	44.8
524.20178	4.7
533.26556	4.7
535.31256	94.4
536.31641	7.0
553.20398	2.5
571.21423	14.4
571.29077	100.0
572.29333	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	571.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80246	0.5
59.01376	34.9
61.98811	1.5
69.83312	0.5
71.01364	0.8
80.02663	0.8
81.03436	1.2
83.05018	3.9
84.02120	0.6
84.49167	0.6
89.02447	0.7
96.96003	0.8
97.02913	0.6
98.20636	1.8
107.67016	0.5
135.08168	0.6
163.11284	2.7
165.12816	2.1
171.10223	5.3
209.11809	100.0
210.12128	2.7
218.39072	0.7
227.12872	12.1
229.63075	0.6
247.13341	1.2
265.14670	0.6
401.23190	0.5
447.10046	0.6
475.27213	1.1
493.28162	1.4
511.28958	1.1
564.49744	0.6
571.28644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14767	0.1
54.63768	0.1
55.00643	0.1
59.01367	0.2
61.98825	100.0
62.10323	0.1
69.29832	0.2
69.30229	1.1
78.95904	0.1
109.28181	0.1
118.71805	0.1
126.01888	0.1
146.91510	0.1
261.54999	0.1
339.80969	0.1
401.01053	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2
Annotation	(+)-Siddiquamine
Peak:m/z	Relative Intensity
57.59766	0.3
59.01378	8.6
61.98816	0.6
67.79268	0.3
68.99771	0.5
69.03461	0.6
69.56378	2.7
69.81095	0.4
71.01373	4.9
72.99304	0.5
73.02944	1.0
75.00879	0.5
78.03120	0.4
79.95729	4.2
83.01389	0.8
85.02943	1.8
87.00880	0.4
89.02433	3.4
91.01892	0.6
93.03453	10.4
95.01421	0.6
95.95218	0.9
96.96005	80.0
96.99293	0.6
98.95589	0.4
99.00875	0.4
101.02447	2.6
108.02167	0.7
109.02946	1.5
111.74947	0.3
113.02447	2.1
116.92804	0.6
119.03506	0.7
121.02965	1.0
122.03771	0.4
125.02445	0.8
131.03571	0.5
135.00858	2.6
136.01668	2.2
137.02437	33.5
138.02760	0.8
149.02478	0.7
150.03140	0.5
151.00366	0.3
151.04025	0.6
153.01924	7.2
161.04526	0.4
165.05676	0.4
169.01482	0.5
179.03488	4.4
191.03523	0.4
209.04530	0.8
209.34505	0.4
219.14046	1.0
221.04562	0.7
226.70074	0.4
239.05524	2.9
251.75255	0.4
259.43375	0.4
273.11676	0.5
281.06677	0.5
429.10284	3.7
435.17200	0.4
453.17911	3.0
463.54019	0.4
493.24374	28.3
494.24924	2.3
537.19800	1.1
537.32886	0.6
573.20056	100.0
574.20380	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	573.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04012	0.8
59.01377	8.3
61.98829	1.5
62.92322	0.9
66.93073	1.0
67.72540	0.9
69.54883	6.2
69.55289	1.6
71.01373	4.1
73.02987	1.0
77.03962	1.0
79.95747	1.5
85.02931	1.4
85.82292	1.0
89.02449	3.1
91.39192	0.9
93.03447	5.9
95.05024	1.1
96.95994	9.2
101.02440	2.5
109.02962	0.9
113.02438	2.0
119.03387	0.9
120.99596	1.0
121.02942	12.8
122.03728	12.6
123.04491	1.5
125.02442	2.1
126.02807	1.0
133.02917	1.9
136.01672	1.7
137.02441	4.0
149.01468	0.6
149.02431	43.7
150.03218	89.7
151.03836	2.2
164.04784	10.4
165.05559	100.0
166.06342	31.8
167.07021	2.6
175.04036	1.9
179.05611	1.0
180.04291	5.9
181.08696	19.0
195.06607	76.4
196.06990	1.9
264.94806	1.0
267.06714	1.7
271.02411	1.4
285.07550	2.2
289.07361	1.1
298.08899	1.2
313.10822	2.3
314.11560	9.2
329.10370	1.9
329.13898	33.3
330.14169	1.9
343.11856	28.7
344.12189	1.6
377.16025	3.6
391.13962	3.6
418.47641	1.0
510.17075	2.1
525.21307	26.3
537.19702	3.2
537.32892	8.7
573.30548	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	573.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98828	1.7
69.03452	0.5
69.72086	0.7
69.72492	1.4
71.01373	2.5
71.05027	0.4
72.99307	0.4
73.02945	0.9
75.00893	0.4
78.25751	0.3
79.20246	0.3
79.95737	2.4
85.02942	1.5
87.00835	0.6
88.98805	0.5
89.02451	2.4
89.67179	0.3
95.01418	0.5
96.96004	100.0
98.95592	0.4
99.00878	0.7
101.02429	2.1
113.02452	1.4
118.98047	0.4
119.03501	0.8
121.02969	0.7
122.03748	1.1
123.04462	0.4
125.02402	1.1
137.02403	0.8
146.03738	0.5
149.02438	2.0
150.03224	7.7
161.04573	1.2
163.36406	0.4
164.04759	1.0
165.05554	7.9
166.06276	1.0
167.07126	1.2
169.01344	0.7
179.05530	0.9
179.07098	1.3
180.04192	0.4
181.08612	0.9
185.00890	0.5
195.06618	7.1
216.90059	0.4
231.15909	3.1
301.83844	0.3
305.16040	2.4
342.94370	0.3
343.11685	1.2
349.18622	1.8
367.12766	0.3
374.50027	0.3
406.21082	0.3
483.19012	0.5
510.16916	0.4
525.21289	1.2
535.31360	1.5
537.19757	0.8
537.32782	10.0
538.32983	0.8
573.05542	1.1
573.30420	28.0
574.16748	0.3
574.31305	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77536	0.6
57.03450	1.2
58.32611	0.6
59.01374	12.3
61.80013	0.6
61.98827	9.1
63.57367	0.6
67.53736	0.6
69.03447	0.7
69.28842	6.6
71.01385	7.3
72.99306	1.4
73.02937	2.5
75.00862	1.8
75.92393	0.7
79.95741	1.9
80.96534	0.8
83.01400	1.1
85.02963	3.5
87.00857	1.4
88.98797	1.6
89.02448	3.0
93.03426	1.2
95.01390	1.0
96.96007	17.0
98.20585	1.6
99.00874	1.9
99.04531	0.7
101.02438	3.6
109.02935	1.4
113.02445	3.0
119.03476	0.9
121.02937	2.7
122.25890	0.7
123.00884	0.9
123.04520	2.2
125.02450	2.7
131.03487	0.9
131.04591	0.8
135.04494	0.8
135.06895	0.7
137.02515	0.8
139.11217	0.8
145.02939	2.4
153.05563	1.1
155.10745	1.0
157.12276	0.9
160.04047	12.5
161.04410	7.0
165.05518	0.8
167.07166	3.7
169.01370	1.2
171.10243	0.7
174.02785	0.7
179.03506	0.9
179.05649	0.9
181.08734	0.9
185.11784	1.7
285.03964	2.4
311.22220	0.6
327.14438	3.2
355.24905	1.7
357.26422	4.2
367.08051	0.8
373.05423	0.8
373.25952	33.7
374.26324	3.9
375.27478	100.0
376.27859	5.8
389.28876	1.4
415.27515	1.0
417.28589	4.4
483.18762	1.9
497.26923	0.9
529.17700	1.9
529.25470	0.9
535.30988	1.1
537.23346	5.1
537.31836	1.2
564.16931	1.1
573.17798	2.1
573.30835	27.0
574.30591	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	573.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11385	1.4
57.03428	1.9
59.01380	14.9
59.39109	1.3
61.98836	8.3
62.47834	1.4
69.03455	2.7
69.56951	11.6
71.01390	10.3
72.99288	1.9
73.02946	3.8
79.95744	5.8
83.01360	2.0
85.02953	4.0
89.02449	4.7
96.96010	42.0
97.06574	1.5
98.20621	2.8
98.95631	3.0
99.92589	1.9
101.02437	7.3
113.02459	4.7
116.92833	2.1
119.03513	2.9
120.99605	1.8
125.02449	4.3
135.04526	3.3
143.03485	1.5
146.08429	1.5
150.03206	3.1
161.02516	2.2
161.04549	2.2
165.05560	4.4
166.06137	3.2
169.01303	3.1
181.08727	4.6
195.06624	2.6
199.03926	2.5
217.14412	4.0
219.13913	5.7
227.03395	1.9
231.16043	9.0
234.74617	1.7
256.09244	1.6
271.02209	2.0
295.87631	1.6
305.16034	11.6
319.17575	2.0
327.14514	8.2
349.18814	3.8
411.65182	1.6
473.54700	1.7
519.31635	2.8
525.20282	2.7
535.31152	6.6
537.19745	6.4
537.32721	58.2
538.33020	3.5
573.16528	12.7
573.30450	100.0
574.31305	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	573.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90374	0.4
59.01373	12.4
61.98825	1.4
70.38517	1.0
71.01376	3.3
73.02938	0.6
77.46500	0.4
83.05009	0.4
87.00879	0.6
89.02438	2.1
96.96053	0.5
97.02940	0.4
99.00896	0.4
101.02435	2.8
110.07997	0.4
113.02409	1.3
119.03468	1.0
133.05060	0.4
161.04559	1.2
233.22710	0.6
235.08139	1.1
253.09253	15.2
254.09537	0.5
259.20566	0.4
274.46823	0.4
277.21689	100.0
278.22067	5.2
288.09015	0.4
573.37079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46555	0.8
53.72728	0.8
56.81105	0.7
59.01377	100.0
61.98822	1.0
69.38144	4.9
69.38560	1.3
70.03997	0.7
135.56700	0.7
280.29544	0.8
295.96811	0.8
462.29572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81372	0.1
59.01379	0.1
61.98825	100.0
63.36811	0.1
69.31850	0.7
71.24646	0.1
78.95917	0.1
79.21999	0.1
95.61065	0.1
98.19884	0.1
101.54810	0.1
102.18967	0.1
103.90987	0.1
152.82901	0.1
204.82654	0.1
216.48494	0.1
356.29919	0.1
389.99597	0.1
492.28891	0.1
506.26346	0.1
552.48267	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65306	0.3
59.01384	2.9
61.98825	100.0
71.01385	1.8
73.02953	0.5
78.95898	0.9
85.02943	0.7
86.53006	0.4
89.02451	0.6
96.95994	4.7
101.02460	1.3
113.02475	0.9
131.03494	1.6
161.04521	1.2
211.13507	0.4
222.28474	0.4
229.53436	0.3
239.70909	0.4
261.62280	0.3
268.90936	0.4
339.03024	0.4
383.24338	1.9
515.28259	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.6
61.98822	1.2
67.34773	0.5
68.07785	0.5
69.30693	4.5
71.01373	2.1
73.02940	0.6
85.02964	0.5
89.02435	2.8
101.02462	2.7
113.02431	1.3
119.03526	0.7
160.04277	0.5
161.04494	1.0
235.08136	1.9
253.09262	12.3
255.23466	0.6
279.23267	100.0
280.23624	4.6
575.34698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31462	32.7
59.01387	65.8
61.98825	50.9
68.87907	33.1
70.22193	43.9
70.22615	100.0
85.66517	33.5
125.49052	27.6
142.55954	27.5
262.91797	35.9
313.96384	34.4
363.30484	30.3
441.92932	30.1
449.26138	30.0
459.18378	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.4
59.42680	0.2
61.98828	100.0
63.20159	0.2
70.49244	0.6
75.80885	0.2
79.95739	0.2
80.96517	1.5
94.98121	0.5
98.20564	0.2
99.86286	0.2
101.98865	0.2
143.19611	0.2
148.99190	0.2
222.38441	0.2
225.00790	0.4
277.21799	0.6
278.22101	0.6
279.22430	0.4
280.22736	0.2
280.33868	0.2
487.51761	0.2
552.97125	0.2
577.26904	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98827	100.0
66.87822	0.2
69.36973	2.1
71.01382	0.2
80.96519	0.9
96.96018	0.3
98.19912	0.4
100.70262	0.2
125.02444	0.3
136.92958	0.2
214.00298	0.3
225.00766	0.3
278.22092	0.9
279.22391	0.5
280.22720	0.4
362.41730	0.2
429.62134	0.3
577.26715	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08554	0.2
57.13368	0.2
59.01377	20.6
60.34990	0.3
61.98826	0.9
71.15198	0.2
78.95901	7.2
97.06641	0.3
98.20634	0.7
121.11070	0.2
124.25338	0.2
144.06268	0.2
152.99567	1.5
168.04266	1.5
224.06947	1.0
233.22676	0.6
242.07991	3.3
259.20609	0.4
275.20151	0.4
277.21698	100.0
278.22046	5.0
400.62097	0.3
502.29376	44.0
503.29654	3.4
517.25952	0.3
601.83838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.33
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77058	1.0
53.64989	1.0
59.01101	1.7
59.01376	27.7
61.98811	4.5
70.79879	2.6
78.95900	23.5
86.40678	1.1
139.81071	1.0
148.60086	1.2
152.99535	3.8
168.04343	5.7
224.06940	11.5
242.07864	2.8
277.21698	100.0
278.22046	6.4
502.29370	97.5
503.29697	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	577.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	14.1
63.43677	0.7
65.82033	0.7
69.03461	1.0
70.98360	1.3
76.51830	0.7
80.63753	0.6
81.03442	1.4
83.01389	3.7
93.03450	1.4
95.01376	0.9
95.05021	3.2
97.02962	4.9
107.05031	1.7
108.02115	1.3
109.02950	18.0
117.03503	0.9
121.02971	3.5
122.03725	1.9
123.04510	15.0
125.02441	100.0
126.02787	1.5
131.05002	1.2
133.02936	4.1
135.04538	2.3
137.02431	21.1
138.03265	0.7
139.03967	3.5
145.02937	1.3
147.04546	1.3
147.09721	0.7
149.02423	6.9
150.03204	1.2
151.03984	13.3
159.04503	3.2
161.02440	28.8
161.06001	3.4
162.03156	2.2
163.00366	2.8
163.04045	3.3
164.01128	4.7
165.01907	5.7
174.03177	1.5
175.03993	10.3
175.07649	2.1
177.01917	5.6
177.05530	1.8
179.03520	3.9
185.06021	1.2
187.04010	7.8
188.04779	3.1
189.01990	0.8
189.05536	1.4
191.03484	1.0
199.03925	1.0
201.05579	2.3
202.06238	1.4
203.03494	2.1
203.07108	10.7
205.01407	2.5
205.05035	7.8
211.04033	1.6
213.05476	1.4
214.02733	0.8
215.03537	1.2
217.05070	2.2
219.06537	0.8
221.08118	1.5
227.03476	1.7
227.07141	2.1
228.04239	0.9
229.05070	3.1
230.05623	0.8
231.03020	1.2
236.79538	0.7
243.03091	2.5
243.06522	0.8
245.04581	5.8
245.08174	12.3
247.06143	1.5
255.02962	9.7
256.03778	5.9
257.04428	2.8
269.04575	1.8
271.06003	1.5
273.04050	4.4
281.04568	4.4
282.01657	0.8
283.02536	1.8
285.04053	2.8
287.05606	9.3
289.07156	65.5
290.07434	3.8
297.04074	1.0
299.05624	7.7
300.99802	0.9
317.72556	0.8
329.06610	1.8
333.01050	0.7
335.48022	0.8
339.08630	3.1
340.09421	0.7
381.09793	2.4
389.06500	1.2
397.05490	0.9
407.07669	64.2
408.08112	4.7
425.08762	24.8
425.14438	1.4
426.09177	3.3
451.10239	13.5
452.10535	1.8
480.05359	1.7
559.12274	1.3
577.13409	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	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	17.4
57.04966	0.8
61.13657	0.6
65.88411	0.7
69.46094	1.1
69.46497	3.0
78.28699	0.6
81.03453	2.7
83.01375	4.8
93.03449	1.6
95.01397	0.9
95.05054	1.9
97.02928	4.4
98.19840	0.7
100.47687	0.6
105.03455	0.8
107.05080	1.5
108.02147	1.3
109.02940	20.8
117.03445	0.7
121.02942	3.9
122.03721	1.5
123.04517	16.3
125.02436	100.0
126.02740	1.6
127.48728	0.6
131.05011	1.0
132.82990	0.6
133.02936	4.6
135.04514	2.6
137.02431	20.5
138.03241	0.8
139.03981	3.7
143.05037	0.8
145.02933	1.1
145.34175	0.6
146.03687	1.0
147.04523	1.2
149.02448	5.3
150.03224	1.4
151.03989	13.0
159.04509	2.9
160.05287	1.3
161.02429	27.0
161.06062	5.4
162.03137	2.5
163.00331	2.9
163.04001	3.1
164.01118	4.6
165.01875	5.1
167.03506	0.9
173.06082	1.0
175.03989	11.1
176.37697	0.7
177.01904	6.6
177.05544	1.6
178.02646	1.3
179.03488	4.8
185.06018	0.9
187.03967	6.7
188.04732	3.2
189.05516	1.1
199.03944	1.2
199.07579	0.8
201.05501	1.7
202.06384	0.6
203.03464	1.7
203.07120	9.6
205.01456	2.1
205.05046	8.9
211.03973	2.1
212.04681	1.4
213.05579	1.7
214.02750	1.2
215.03455	1.3
217.05069	1.3
221.08168	1.5
225.05583	0.9
227.03494	2.6
227.07100	1.3
228.04344	1.3
229.05064	2.8
230.05977	0.8
231.03009	1.4
243.02994	3.0
243.06670	1.3
245.04552	5.2
245.08162	12.0
247.06158	1.5
255.02946	8.5
256.03705	5.3
257.04498	1.7
269.04654	2.2
271.06097	0.9
273.04077	4.4
281.04535	2.8
283.02484	2.2
285.04089	2.4
286.04590	0.8
287.05606	8.4
289.07159	67.0
290.07535	2.7
297.03937	1.0
299.05551	6.2
329.06512	1.8
339.08792	2.9
381.09717	2.4
391.64453	0.6
407.07648	64.3
408.07889	3.8
425.08734	30.6
426.09064	1.4
433.09595	0.8
449.08377	0.8
451.10275	13.7
451.16080	1.1
452.10608	1.0
512.40198	1.0
529.21906	1.0
533.15491	0.8
559.12506	1.5
577.13208	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	577.1349
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
57.03444	13.1
67.59676	0.6
71.30099	1.4
78.42067	0.8
81.03456	3.1
82.03783	0.6
83.01376	5.8
89.04005	0.8
93.03461	1.9
95.05010	2.1
97.02946	3.2
107.05048	1.0
108.02168	0.7
109.02953	23.1
117.03461	0.8
121.02959	3.0
122.03761	1.2
123.04527	14.1
125.02440	100.0
126.02776	2.3
131.05035	0.8
133.02922	3.3
135.04533	2.3
137.01440	1.5
137.02443	21.0
139.04004	3.1
145.02881	1.7
145.26044	0.6
146.03717	1.3
147.04515	0.9
149.02420	5.3
150.03207	2.0
151.03998	14.8
159.04512	2.8
160.05307	1.6
161.01106	1.6
161.02440	28.8
161.06059	4.8
162.03149	3.0
163.00374	2.2
163.04021	3.1
164.01157	4.1
165.01930	5.4
167.03510	2.2
173.06013	0.9
175.04010	8.6
175.07600	1.7
176.04652	0.9
177.01897	7.1
177.05591	0.7
178.02586	0.8
179.03465	5.7
185.06017	1.2
187.04002	8.5
187.78262	0.8
188.04803	2.9
189.05547	1.0
199.04004	0.8
201.05615	2.1
202.06384	1.7
203.03580	1.8
203.07156	11.3
205.01416	2.6
205.05046	7.1
211.04030	1.1
213.05505	1.3
214.02834	0.7
215.03485	1.3
216.03947	0.7
217.04980	2.1
221.08269	2.2
225.05548	1.4
227.03458	1.9
227.07155	2.4
229.05049	3.4
231.03040	1.0
241.05119	1.1
243.03000	2.3
244.03856	0.8
245.04561	5.1
245.08157	13.2
247.06088	1.3
253.05141	1.1
255.02962	9.8
256.03687	4.6
257.04614	1.4
269.04538	1.7
271.06049	0.8
273.04050	3.2
281.04431	3.5
283.02362	1.3
284.03168	1.2
285.04059	2.7
287.05618	11.1
289.07156	71.5
290.07529	3.7
297.04132	1.7
297.07346	1.4
299.05566	6.1
319.49445	0.7
329.06604	1.2
339.08600	3.6
381.09900	2.7
407.07678	63.4
408.07822	4.2
425.08707	22.9
426.09183	1.6
449.08603	0.8
451.10272	15.0
452.10681	1.4
577.13165	9.1
578.13275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
55.01876	0.7
57.03446	15.7
58.00571	1.0
58.99614	0.9
59.01377	49.7
62.02803	0.7
64.46906	0.6
65.34811	0.7
65.65346	0.7
69.03444	2.3
69.22873	4.8
69.23280	1.4
71.01376	22.4
72.69514	0.6
72.99305	1.9
73.02945	10.5
75.00849	1.0
81.03452	1.3
83.01371	6.1
84.15285	0.6
85.02943	5.3
87.00865	1.9
89.01919	1.4
89.02439	20.1
93.03449	1.7
95.01393	2.5
95.05036	2.3
96.96024	2.8
97.02927	4.0
99.00883	4.3
101.02433	14.7
102.98597	3.9
105.54322	0.7
107.05038	0.9
108.02184	0.6
109.02939	14.0
113.02440	12.1
119.03474	5.4
119.04984	0.8
121.02946	2.7
121.18654	0.7
122.03716	1.2
123.00863	1.4
123.04530	10.6
125.02438	100.0
126.02783	1.9
131.03505	4.6
131.05034	0.8
133.02960	3.3
133.14397	0.5
135.04503	1.1
137.02438	21.2
137.03505	1.1
139.00261	0.7
139.03989	2.3
143.03491	1.9
146.03708	0.8
147.04510	1.0
149.02512	3.8
149.04546	8.4
150.03212	0.8
151.00392	0.7
151.04001	9.5
159.04523	1.9
160.05240	1.0
161.02425	22.4
161.04575	2.8
161.05898	3.6
162.03133	2.2
163.00400	1.5
163.03998	3.5
164.01158	2.9
165.01920	4.3
167.03494	1.1
169.01416	2.3
173.05966	0.8
174.03220	0.8
175.03999	7.1
175.07657	1.4
177.01933	3.9
179.03517	3.0
179.05528	3.5
185.00945	1.4
187.04018	4.8
188.04793	1.7
191.05608	1.9
199.07565	0.8
201.05527	1.5
202.06355	1.3
203.03514	1.8
203.07109	8.2
205.01431	1.9
205.04999	5.7
205.12326	7.3
213.05484	0.8
215.03503	1.3
217.05048	0.8
221.08278	1.5
227.03572	1.1
227.07147	1.5
229.05048	1.7
230.06007	1.0
231.03009	1.5
243.02928	1.5
243.06538	1.4
245.04535	3.2
245.08147	10.7
247.06265	1.4
248.03040	0.8
251.07654	0.7
255.02898	3.6
256.03793	3.2
257.04504	1.1
269.04724	1.0
273.03989	5.8
274.01193	2.2
275.01999	2.0
280.32196	0.7
281.04538	2.7
282.01770	0.9
283.02423	0.9
285.04053	1.1
287.05560	7.4
289.07153	53.6
290.07541	2.4
293.08826	1.3
299.05527	6.1
299.99158	2.5
300.99841	5.5
329.06482	1.0
339.08661	2.4
349.87592	0.6
381.09549	1.8
407.07657	35.4
408.08057	2.4
425.08755	16.9
426.08844	1.4
451.10233	9.5
452.10712	0.9
480.05527	8.0
481.06195	0.9
517.26208	13.0
535.27509	9.6
536.28442	0.8
539.21368	2.8
541.22589	8.4
577.13226	9.1
577.28864	1.6
578.13818	1.2
601.09955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71922	0.3
56.08996	0.3
56.93919	0.3
59.01368	1.6
61.98823	25.3
62.54627	0.4
62.59912	0.3
62.71067	0.3
62.98514	0.3
63.96231	1.1
70.49432	0.7
70.49785	0.7
71.01374	6.0
72.99291	0.4
73.02934	1.8
78.95873	0.4
78.98580	5.2
79.95724	9.6
80.96508	55.8
81.03459	1.1
83.01385	0.4
85.02942	2.4
87.00860	2.2
94.98076	14.5
96.95985	1.3
97.02958	1.2
99.00848	0.6
101.02421	2.4
106.98104	2.6
107.28135	0.3
113.02429	0.6
122.97572	5.4
125.02429	2.7
127.03993	0.7
134.97566	4.0
136.99098	1.1
148.99104	5.7
152.98607	7.0
164.98605	10.6
167.00206	0.4
179.20576	0.4
182.99681	2.1
188.98619	0.6
192.05968	0.3
206.99663	3.1
225.00708	16.7
226.01042	0.4
243.01723	1.5
267.64743	0.3
277.21735	2.2
279.23306	0.7
292.23267	0.3
299.04309	2.7
305.01669	0.3
379.28391	0.8
380.28851	2.0
390.06146	0.4
450.81711	0.4
552.04718	0.4
577.26794	100.0
578.27173	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82600	0.2
59.01377	14.9
61.98818	0.7
69.45634	0.7
69.46059	0.9
71.01385	0.4
73.56142	0.2
78.95904	5.8
79.95716	0.4
80.96509	2.6
92.72042	0.2
94.98060	0.5
98.20668	0.4
122.97587	0.3
125.02434	0.5
137.02440	0.3
152.99649	1.1
164.98645	0.4
167.03563	0.2
168.04344	1.3
224.06943	0.8
225.00720	0.3
242.07954	2.9
246.03383	0.2
247.49370	0.2
261.22098	0.4
277.21686	0.6
279.23267	100.0
280.23624	4.9
504.30945	34.9
505.31335	3.0
578.27130	4.4
579.27209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09069	0.4
59.01377	23.1
61.98525	0.4
61.98828	4.3
69.30434	0.3
71.01369	0.3
71.06739	0.5
74.02309	0.3
78.95901	22.8
79.95723	0.4
80.96512	1.2
87.00855	0.3
94.98071	0.4
95.17169	0.3
122.98561	0.4
125.02420	0.5
152.99590	2.9
168.04286	3.1
224.06931	9.7
242.08018	2.1
261.22101	0.6
279.23270	100.0
280.23584	6.2
453.15848	0.4
504.30945	74.1
505.31284	5.5
578.26746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.89952	0.7
70.90263	0.9
73.65856	0.5
106.54041	0.7
121.79721	0.7
139.74040	0.6
227.99188	0.7
326.97235	0.7
502.54993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
51.45033	0.7
59.01155	0.8
59.01382	9.9
60.53232	0.8
61.98813	0.9
63.02388	2.2
65.00318	10.4
69.25399	8.1
71.01374	5.5
73.02927	1.5
75.00867	15.0
83.01388	7.7
85.02937	1.9
89.02455	1.8
93.03451	6.4
95.01359	1.1
95.95242	1.5
96.96014	7.6
97.02954	0.9
98.19273	0.8
101.02452	3.3
107.01387	19.7
109.02943	2.1
113.02422	2.6
117.03454	0.9
119.05022	40.7
120.05336	1.3
122.03723	1.1
125.02422	6.6
137.02432	5.9
145.02974	5.6
149.02443	2.0
151.00363	100.0
152.00761	2.1
152.04799	1.7
161.02504	1.0
161.04628	0.9
164.01141	1.7
165.01920	6.0
166.02708	26.0
167.03299	1.1
169.01358	1.3
175.00340	2.1
177.01924	8.9
181.05054	36.9
182.05284	1.1
185.06036	1.7
187.03957	2.9
193.01360	1.1
205.05077	1.1
206.05681	1.0
207.06551	1.0
217.14410	2.3
218.01859	0.8
227.07156	2.8
229.05185	1.3
235.02489	2.2
271.06100	55.4
272.06387	2.7
313.07065	2.9
347.18240	1.5
373.09311	1.2
387.10953	7.1
387.20163	2.0
402.13107	4.2
417.15521	53.5
418.15894	3.2
459.11456	16.5
460.11786	1.2
481.22382	1.0
499.23160	1.6
503.24731	1.1
515.36249	0.9
519.24255	2.5
519.31702	5.5
537.32629	1.5
579.17291	90.4
580.17578	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	579.1901
Annotation	Kadsuphilin C
Peak:m/z	Relative Intensity
52.85581	0.5
55.01869	0.5
55.44352	0.4
57.03444	0.6
59.01378	6.5
61.98819	1.7
62.48390	0.5
67.33289	0.4
68.40017	0.4
69.03465	0.6
69.28119	4.4
71.01375	3.0
73.02930	1.3
75.00865	2.4
79.95732	5.7
80.96501	1.0
82.96899	0.5
83.01373	3.0
85.02937	2.2
87.00815	0.6
89.02419	1.7
92.85522	0.5
93.03452	0.9
95.01357	0.6
95.95227	6.5
96.96004	60.7
97.02950	4.3
99.00864	0.7
100.08492	0.7
101.02422	1.4
108.02187	1.0
109.02954	4.1
113.02448	2.6
120.99638	1.3
121.02939	2.1
122.03725	3.8
123.00871	0.8
123.04517	6.0
125.02413	2.0
132.78635	0.5
135.04549	1.1
136.01643	3.2
137.02451	9.0
138.03171	2.2
139.03972	1.6
149.02461	5.2
150.03159	0.9
151.00359	3.0
151.04019	6.8
154.02785	0.8
159.04475	0.5
161.02419	1.8
161.04712	0.5
161.06056	2.1
162.03204	0.6
163.03983	0.9
163.11261	0.6
164.01149	1.2
165.00516	1.0
165.01918	17.4
165.05534	0.8
166.02708	6.5
167.03474	1.0
175.04007	0.7
177.01888	1.0
177.05495	1.0
179.03464	1.3
181.05064	9.0
181.12390	0.6
183.51953	0.5
187.04071	0.5
188.04802	0.7
192.04228	0.6
199.51941	0.5
201.05522	0.6
201.09799	0.5
203.03473	0.5
203.07104	4.2
205.05061	5.1
206.77159	0.5
207.06927	0.6
220.16034	0.5
221.08220	1.0
225.11404	0.5
230.99612	0.9
241.08659	1.7
247.06110	4.7
249.45828	0.5
267.07257	0.6
271.13333	1.1
288.06332	2.5
305.17618	0.7
315.15823	0.7
317.17609	1.2
329.17606	5.9
330.18051	0.8
338.04041	0.5
342.11047	0.9
347.18604	25.8
348.18878	1.6
357.13394	6.0
357.17154	0.7
359.11465	0.6
359.18906	0.6
385.13165	0.8
387.10706	5.7
395.11691	0.7
402.13190	2.2
413.23257	0.6
417.15506	19.6
418.15750	1.2
419.21927	0.6
427.14081	4.1
437.23389	1.4
455.24139	1.5
475.18018	5.5
481.22437	4.8
499.23370	6.6
519.24957	0.7
519.31738	3.5
535.19952	1.2
543.24078	0.8
579.18994	100.0
580.19379	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	579.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.1
61.98816	6.7
71.01375	4.6
71.23836	0.7
71.61773	1.1
71.78177	0.6
72.32665	0.7
72.99292	2.7
73.02946	1.5
75.00867	0.9
79.95738	3.4
83.01374	3.3
85.02935	2.3
87.00868	0.8
89.02426	2.3
95.01385	0.6
95.95219	5.6
96.96003	52.5
97.02938	2.6
99.00900	0.6
99.63122	0.5
101.02431	1.9
103.19144	0.7
108.02167	1.2
109.02940	3.2
113.02420	2.1
119.03451	0.6
121.02978	1.3
122.03756	3.8
123.04506	5.7
124.01660	1.1
125.02392	2.1
136.01619	1.7
137.02432	5.4
138.03221	1.7
139.04001	0.9
145.02930	0.7
149.02454	4.1
149.04449	1.0
149.06073	0.7
150.03198	0.8
151.03993	3.7
159.04514	1.5
161.02501	0.9
161.04597	0.6
161.05969	1.5
163.04031	0.7
164.01102	1.3
165.01915	10.2
169.01442	0.7
179.03543	1.4
179.05690	0.7
203.07126	3.2
205.05080	3.4
209.53769	0.7
221.08246	1.1
229.04813	0.9
231.02980	0.8
241.08731	1.0
247.06160	5.1
273.11508	1.0
288.06531	1.6
289.11050	1.0
329.17517	4.1
347.18594	21.5
348.19019	2.4
357.16943	1.0
387.20053	1.4
408.80988	0.7
427.14209	3.3
437.23193	2.4
455.24481	2.0
481.22324	6.2
499.23386	7.0
519.24225	2.8
519.31775	2.5
543.24139	0.7
579.18994	100.0
579.33380	2.5
580.19434	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	579.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03423	1.7
58.00576	0.5
59.01376	19.6
61.98833	3.4
69.03442	0.5
69.71035	0.5
70.46401	1.4
71.01378	9.0
72.99286	1.0
73.02957	2.6
75.00832	0.6
77.75896	0.5
79.40302	0.5
79.95745	5.0
80.96527	0.7
81.03428	0.6
83.01387	3.2
85.02934	3.7
87.00862	1.2
87.30087	0.4
88.98797	0.7
89.02427	4.3
90.48079	0.5
93.03479	0.6
95.01377	1.0
95.04957	0.6
95.95230	5.1
96.96002	53.4
97.02924	3.2
99.00849	1.3
101.02441	4.6
108.02139	1.5
109.02943	2.6
111.00823	0.6
113.02453	4.7
116.92814	0.6
119.03481	1.7
119.04980	0.6
121.02963	1.4
122.03754	3.8
123.04518	4.8
124.01648	1.5
125.02433	1.8
135.04495	1.4
136.01627	0.7
137.02428	6.3
138.03181	1.8
139.03964	1.4
145.02942	0.9
146.03737	0.6
149.02448	5.1
149.04430	0.7
150.03174	0.9
151.03995	4.1
153.09131	0.6
159.04449	0.6
159.59972	0.5
161.02414	0.6
161.04532	2.4
161.06059	1.4
162.03116	1.0
163.03995	1.3
164.01129	1.1
164.04720	0.9
165.01918	15.5
166.02580	1.9
167.03481	0.6
175.07312	0.5
175.84886	0.4
177.01817	0.5
177.05537	0.7
179.03476	1.3
179.05673	0.8
179.07115	2.0
181.05031	2.1
187.03946	0.6
187.13373	0.7
188.04741	0.6
203.07097	3.4
205.05011	3.7
207.06837	0.6
209.08209	0.6
217.14415	2.5
221.08252	0.6
229.05017	0.9
230.99593	1.4
231.16008	1.3
241.08656	1.2
244.07372	0.5
247.06061	4.2
271.13293	1.0
288.06384	2.3
315.15933	0.8
317.17532	0.9
329.17560	6.3
331.17050	0.8
347.18597	21.7
348.18982	1.3
349.18829	0.8
357.17114	0.8
357.26370	0.9
361.18457	0.5
375.27271	0.9
387.10416	0.6
391.19485	0.5
395.11777	0.8
417.15662	3.8
422.13763	0.5
424.98260	0.6
427.14258	2.1
437.23334	1.4
455.24133	1.0
481.22186	4.8
499.23376	6.0
501.30716	0.8
519.24323	3.3
519.31628	16.9
520.32159	1.1
537.32684	3.0
543.24512	2.1
579.18964	100.0
580.19348	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87088	0.3
54.34092	0.3
57.03440	0.4
59.01382	5.7
61.98836	0.7
71.01383	4.7
73.02936	1.4
75.00873	0.6
79.95730	1.3
81.03419	0.4
83.01402	0.8
84.02157	0.4
85.02951	2.1
87.04470	0.4
89.02445	1.7
90.95774	0.3
93.03452	0.4
95.01382	0.9
95.95227	1.0
96.95374	0.5
96.96003	10.1
96.96595	0.7
97.02953	1.1
98.20654	0.7
99.00876	0.6
101.02443	2.6
104.20863	0.3
109.02962	2.8
109.24445	0.3
111.00912	0.4
113.02430	1.7
113.78500	0.3
119.03494	0.4
121.02954	0.9
122.03703	0.5
123.00880	1.9
123.04485	1.2
125.02448	1.8
131.03471	0.6
133.02937	0.4
137.02434	9.7
137.03490	0.5
138.03192	0.4
139.00403	0.6
139.03995	0.6
143.74370	0.3
149.02466	1.8
149.04520	0.5
150.03209	0.9
151.00356	15.4
151.03990	1.6
152.01093	1.2
152.04779	2.7
153.01929	0.4
159.04504	0.6
161.02460	0.7
161.04532	0.6
163.03998	0.5
164.04817	0.4
165.01907	2.9
166.02702	54.0
167.03398	2.8
169.01433	0.3
175.03967	1.1
175.07642	0.4
177.01947	3.1
177.05486	0.5
178.02682	0.4
179.03447	0.9
181.05055	70.6
182.05341	1.6
182.53346	0.3
184.03740	0.7
189.05502	0.4
190.02708	0.4
190.06377	1.2
191.03502	0.8
191.05464	0.4
192.04283	1.0
193.05017	0.8
195.03000	0.5
203.03413	0.4
203.07167	0.8
205.05069	1.5
205.08717	0.7
207.06619	1.0
247.06207	0.6
271.13342	0.5
301.06979	0.3
306.63544	0.4
327.14041	0.4
329.17578	1.2
347.18613	2.2
359.11343	1.8
371.15033	0.4
387.10809	14.6
387.19943	0.9
388.11154	1.0
402.13150	7.1
417.15509	100.0
418.15836	8.6
481.22293	0.8
499.23343	1.0
519.24323	3.5
519.31683	4.9
537.32880	1.2
579.19025	16.6
580.19098	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	579.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03433	3.7
57.38403	1.2
58.00574	2.0
59.01379	58.4
61.98829	5.5
69.37969	4.7
69.38374	3.1
71.01380	43.7
72.99308	1.4
73.02943	9.8
83.01384	4.4
85.02946	13.8
87.00857	1.8
89.02442	38.2
95.01311	1.5
97.02937	1.6
98.20660	2.0
99.00895	5.3
101.01787	2.4
101.02442	37.7
109.02940	3.2
113.02449	16.4
114.41663	1.2
119.03516	8.5
119.14726	1.2
123.04535	2.2
125.02441	3.7
129.01932	2.9
131.03491	27.6
132.30426	1.1
143.03467	2.9
149.04541	14.8
151.03912	1.3
152.08447	4.1
153.09064	1.2
153.40965	1.1
158.91164	1.1
159.02940	1.3
161.04633	5.2
179.05563	1.4
191.05608	13.2
203.07213	2.0
225.14900	4.1
227.90033	1.1
233.10388	1.1
240.61070	1.0
245.08090	1.6
251.07758	1.4
289.07166	12.7
327.85135	1.3
372.18036	1.3
387.20218	76.3
388.20419	4.3
444.35458	1.1
470.13736	1.2
519.24414	100.0
520.24847	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	579.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56067	15.7
54.67090	18.4
59.01371	73.5
60.96874	14.6
61.98830	100.0
71.01376	21.1
89.52370	18.3
90.55925	15.5
96.95998	17.0
98.20641	43.2
101.02453	24.7
209.11984	21.0
295.13083	19.1
516.15131	19.0
519.32428	19.7
549.24799	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	579.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
57.03435	3.4
58.00563	1.0
58.37127	1.0
59.01378	51.9
61.98827	28.3
69.03434	1.3
71.01001	1.9
71.01379	33.1
71.60428	0.8
72.99305	5.6
73.02949	8.8
75.00867	6.4
78.70847	0.8
79.95731	1.6
83.01384	3.6
84.95706	1.0
85.02944	13.3
86.60807	0.9
87.00863	3.7
88.98804	3.1
89.02438	17.8
95.01403	2.7
96.96004	18.2
97.02936	1.6
99.00898	4.3
99.04471	1.0
101.02443	19.3
102.98579	0.9
111.00847	2.0
113.02448	12.2
118.29131	1.0
119.03493	5.0
119.05003	0.9
121.02931	1.5
122.03893	0.9
123.00883	1.5
123.04536	1.4
125.02405	4.4
131.03468	2.2
134.03711	2.5
137.02469	1.0
137.09660	1.2
143.03432	1.6
145.02962	2.1
149.04541	3.1
149.06026	2.5
151.00395	1.5
157.12296	2.2
161.04530	4.1
161.05869	1.2
161.09576	1.0
162.61473	1.0
163.03946	1.0
163.06119	1.3
167.03426	1.3
167.07138	1.1
173.69563	0.9
179.05603	1.3
201.14899	0.9
221.06586	1.6
293.08762	3.4
300.02722	1.8
329.06369	4.1
357.26559	7.4
375.27252	2.3
387.23883	1.3
390.81998	1.2
489.10406	1.8
493.09866	0.9
501.31226	1.3
519.31763	100.0
520.31989	8.3
533.18182	1.1
579.21710	6.5
579.33990	22.8
580.22614	1.8
580.33722	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	580.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46108	0.1
57.84672	0.1
59.01376	1.0
61.98826	100.0
64.03045	0.1
68.67082	0.1
71.01385	1.0
71.38389	0.2
72.99305	0.2
73.02943	0.3
75.00883	0.6
79.95726	0.2
81.03867	0.1
85.02967	0.1
89.02438	1.5
90.02788	0.2
96.96008	0.3
97.72786	0.1
99.00894	0.4
101.02416	0.6
113.02502	0.2
131.03503	0.2
149.04550	1.0
150.04938	0.2
157.41006	0.1
172.27104	0.1
175.03993	0.3
178.00478	0.1
180.04344	0.2
189.05453	0.2
190.06435	0.4
191.05615	0.3
191.07199	0.3
191.50343	0.1
192.05992	0.2
193.05106	0.2
205.08672	0.4
208.07506	0.3
243.96951	0.3
299.99112	0.6
314.00714	0.2
315.01630	0.6
389.16034	2.2
429.68732	0.1
477.06805	0.3
520.24554	1.1
580.20898	0.2
581.06195	0.3
581.20422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
60.64093	0.2
60.83622	0.3
61.98526	0.5
61.98828	6.1
63.99255	0.4
71.59879	0.4
74.45112	0.3
78.95900	5.2
80.96501	0.5
81.81100	0.3
88.79330	0.3
126.16380	0.3
145.02921	0.3
147.66083	0.3
152.99547	1.2
161.67969	0.3
168.04323	1.2
218.75087	0.3
224.06949	0.9
242.07941	2.2
281.24832	100.0
282.25195	5.3
421.34763	0.3
506.32462	39.4
507.32913	2.6
561.70996	0.3
580.28851	1.6
589.83960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92529	0.6
59.01379	7.5
61.26636	0.6
61.98827	18.8
64.86301	0.5
70.61732	0.7
70.62086	1.7
71.01371	1.1
75.00883	1.2
85.02964	0.6
89.02428	1.0
90.08150	0.5
92.99940	0.5
99.12418	0.6
99.58386	0.6
100.69700	0.6
101.02444	0.7
109.02956	0.7
137.02414	3.0
145.02954	1.6
147.04488	2.1
149.04475	1.0
151.03986	3.4
152.04810	1.1
161.04582	0.6
161.06013	0.8
163.03970	4.1
165.01909	0.7
166.02814	0.9
174.03163	2.2
175.03983	11.9
176.04721	2.4
177.05540	1.7
177.58455	0.6
179.03479	0.9
180.04227	5.0
181.80962	0.6
188.04790	2.5
189.05542	5.8
190.06331	19.0
191.07117	10.5
192.04207	0.6
193.05080	5.8
194.05826	6.2
203.07095	2.3
205.08667	14.8
207.06622	4.8
208.07376	13.3
222.08987	3.0
223.09549	0.7
269.08002	0.7
296.15668	0.6
314.11627	0.7
326.11310	0.9
329.13928	2.9
341.13953	2.1
374.13614	2.0
389.16031	100.0
390.16379	6.0
419.17151	4.9
467.80441	0.6
521.25574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2225
Annotation	Tinosposinenside B
Peak:m/z	Relative Intensity
53.18618	2.0
55.01849	2.8
57.03444	4.5
59.01377	55.0
61.98826	30.1
62.35442	1.9
65.39288	1.9
69.32544	12.7
69.32944	3.3
71.01381	42.0
71.19633	1.7
72.99322	4.4
73.02956	9.6
75.00877	2.6
76.05516	1.7
79.95712	2.4
83.01382	7.8
85.02946	15.0
87.00874	5.8
89.02448	18.8
93.03469	3.2
95.01386	6.8
96.95999	15.2
99.00874	5.1
101.02439	26.4
109.02946	8.5
112.65559	1.9
113.02480	12.0
115.00289	2.2
116.92844	8.1
119.03508	6.7
121.02942	3.9
123.00843	4.9
123.04516	3.0
124.58644	1.8
125.02396	3.8
131.03471	5.0
131.28752	1.9
137.02431	4.3
138.03214	9.8
143.03566	2.1
145.03030	2.0
149.02419	4.1
150.03226	7.0
153.05540	7.5
159.04539	6.4
160.05292	4.7
161.04610	2.7
163.04031	2.0
164.04762	3.8
165.05579	5.8
169.01396	3.4
173.06122	2.6
175.04080	2.8
175.07658	5.0
177.05585	2.4
181.39284	2.0
187.04079	2.9
189.05492	3.9
190.06400	5.0
191.07150	2.5
193.05019	2.2
195.06589	6.8
202.06277	2.9
203.06999	1.9
205.08618	5.4
207.06628	2.2
207.58374	1.8
217.43950	2.1
223.06139	7.0
233.08145	3.0
241.05124	4.6
255.06601	3.2
295.09747	3.1
299.09290	3.0
313.10840	3.3
329.10471	3.1
329.14005	18.2
341.10287	2.0
344.08948	2.9
344.12619	19.2
345.13046	3.4
355.11765	2.5
356.09378	2.2
358.10516	1.9
359.11273	4.8
359.15027	46.5
360.15540	2.5
371.11337	4.8
373.12888	7.2
389.16071	19.2
389.21448	5.6
390.16464	2.7
401.15955	2.5
404.14639	4.1
405.15439	3.2
419.17471	17.9
420.17831	2.3
429.13828	2.4
473.18558	4.0
512.72113	1.9
520.25006	3.2
521.19788	100.0
522.20251	9.9
550.25079	2.5
550.59265	2.4
581.13654	3.5
581.22455	67.4
582.24658	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	581.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	64.2
61.98530	7.9
61.98825	100.0
69.03452	5.5
71.01386	37.9
73.02937	10.2
75.00880	22.8
81.03480	4.1
83.01371	9.5
83.12734	4.1
85.02940	14.6
88.98799	5.2
89.02435	49.7
95.01321	4.0
96.96014	32.2
99.00858	13.8
99.70547	4.7
101.02447	24.7
103.94302	4.5
113.02450	14.5
125.02438	17.8
126.02877	5.9
131.03444	8.0
145.02953	4.8
149.04565	24.3
167.03357	4.3
186.96382	4.5
191.05585	7.5
206.36758	4.5
230.09093	5.8
233.06747	5.3
251.16512	49.5
293.08777	91.5
312.99857	7.9
328.02252	11.0
329.06412	84.9
335.92090	4.6
343.04401	14.2
389.24789	7.5
501.03738	5.1
521.28607	7.7
581.23254	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03441	2.3
59.01377	35.0
59.68541	0.9
59.76845	1.2
60.61770	1.0
61.98829	13.2
65.62141	1.0
66.94736	1.0
69.03448	1.2
71.01379	36.4
72.99297	1.5
73.02942	11.1
75.00879	1.5
76.48517	1.1
79.95743	1.2
83.01395	5.2
85.02949	12.5
86.70967	0.9
87.00856	4.0
88.98811	1.5
89.02433	23.3
95.01373	2.2
96.96002	7.6
97.02943	1.7
99.00875	5.3
99.56061	1.0
101.02444	25.9
106.96242	1.0
111.00842	1.3
113.02443	15.4
119.03511	5.9
123.00912	1.2
123.04505	1.3
125.02428	3.4
131.03477	4.2
135.04485	2.4
145.02962	1.4
149.04524	3.0
151.03947	1.1
159.02924	2.0
161.04536	7.0
169.01421	2.1
179.03444	1.4
179.05638	1.4
192.26479	1.0
251.89517	0.9
333.18781	1.2
371.14767	1.2
371.81400	0.9
389.21793	18.1
390.22021	1.5
521.26056	100.0
521.33167	13.8
522.26459	7.7
522.33521	1.8
539.34772	1.1
580.75891	1.3
581.17560	1.4
581.27155	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	581.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03446	2.9
58.00587	1.2
59.01377	38.7
61.98828	42.1
69.03436	0.8
71.01379	32.3
71.61671	1.3
72.99301	2.3
73.02944	11.3
75.00871	25.7
78.95912	0.9
80.96504	0.9
83.01400	3.1
85.02951	13.5
87.00875	3.4
88.98809	2.4
89.02441	24.1
93.03420	1.1
95.01383	3.0
96.96008	10.9
97.02949	2.2
99.00871	5.9
101.02441	25.7
102.98656	0.9
111.00890	0.9
113.02447	14.4
115.04056	1.0
119.03498	7.1
119.05048	0.9
123.04546	1.3
125.02421	3.6
131.03488	3.0
135.04478	0.8
135.11823	1.1
137.02458	1.1
143.03482	1.4
145.02962	2.2
146.03711	0.7
148.07758	0.9
149.04633	1.6
150.05583	0.9
151.00403	1.4
153.01900	0.8
159.02982	1.2
161.02454	2.5
161.04593	4.7
161.09734	1.0
162.03220	2.4
163.04070	0.7
165.05589	0.9
169.01422	2.2
177.05617	1.7
179.05614	2.5
179.10768	3.3
179.23151	0.6
191.05531	1.3
195.06702	1.6
201.14963	0.8
221.11807	1.7
233.06627	1.2
293.08704	0.9
305.16135	1.1
343.04544	0.8
359.28009	3.5
389.21771	11.7
425.22284	0.8
477.30560	1.6
521.25952	100.0
521.33337	26.4
522.26300	7.2
522.33423	1.6
529.25793	0.9
540.56110	0.9
581.22266	4.3
582.22290	1.1
585.29150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
57.03435	1.8
58.00577	1.8
59.01377	84.4
61.98825	56.6
68.33198	0.9
69.53386	3.8
69.53790	2.0
71.01378	43.6
72.99300	2.9
73.02934	9.4
75.00865	6.6
79.95728	6.4
83.01382	4.5
85.02945	17.6
87.00867	2.4
89.02438	34.4
95.01370	2.3
95.82269	0.9
96.44392	0.8
96.96015	7.5
99.00876	5.9
101.02439	36.2
111.00892	0.9
113.01701	1.4
113.02443	16.3
114.02724	1.3
119.03477	9.9
125.02421	2.2
129.01860	0.9
131.02521	1.6
131.03497	27.3
137.02455	1.3
139.03983	1.0
143.03488	3.9
149.04546	4.8
153.09251	1.0
158.57042	1.0
159.02982	2.3
161.04559	9.0
175.03961	1.7
179.05531	3.4
191.05585	3.5
196.47774	3.3
203.98927	3.2
205.05035	1.7
208.07436	1.0
217.10841	1.0
235.09633	1.1
243.96782	7.6
294.84467	1.0
312.99817	1.9
315.01608	1.0
342.80438	0.9
368.58807	1.0
389.16742	2.7
389.21759	51.8
390.22073	3.4
401.16107	6.3
433.20862	5.4
491.24576	1.3
521.25983	100.0
521.32959	3.7
522.26349	7.0
581.19104	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	581.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.0
57.03446	2.5
58.00568	1.2
58.79776	0.9
59.01379	47.1
61.98829	9.7
69.30867	5.2
69.31305	4.0
71.01380	51.9
71.02950	1.0
73.02947	15.8
83.01383	5.3
85.02953	19.2
87.00861	3.8
89.01919	1.9
89.02444	26.9
93.03376	1.2
95.01379	3.5
96.60047	0.9
96.96010	6.6
97.02950	1.1
99.00868	8.8
101.02443	34.4
113.01706	1.7
113.02452	21.4
119.03471	5.0
120.04600	1.0
125.02427	4.4
130.21901	1.0
131.03497	8.6
139.00397	1.1
140.52663	1.0
143.03464	3.3
145.05051	1.4
147.03296	2.1
148.04123	1.1
149.04541	14.0
159.02972	3.1
161.04524	14.9
176.03464	1.5
179.05637	1.7
191.05617	7.8
215.11852	3.5
221.06618	1.1
240.08955	1.2
241.09659	1.7
256.09921	1.3
266.07040	1.5
268.24548	1.1
269.05710	1.1
269.09085	1.2
271.10794	1.7
280.63193	1.1
281.09274	3.3
293.08783	2.5
299.10242	4.0
311.01056	1.1
325.08182	1.5
345.47839	1.2
359.15076	2.2
375.11819	1.5
389.16336	4.3
389.21768	100.0
390.22092	7.1
396.92853	1.1
419.10919	50.0
420.11212	3.4
521.26013	69.9
522.26318	6.8
581.15808	3.2
581.20697	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	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27868	0.7
57.31334	0.7
61.98343	0.7
61.98815	0.7
63.07487	0.6
63.71624	0.8
63.96232	1.4
71.01385	5.9
71.78908	0.7
73.02930	1.2
77.46906	0.8
78.16174	0.9
78.98586	4.6
79.95731	7.1
80.96514	52.2
81.03437	0.9
85.02940	2.1
87.00871	2.0
94.98078	9.4
96.96008	0.9
97.02944	1.1
101.02461	1.8
106.98089	1.8
122.97545	4.2
125.02425	3.3
127.04016	1.2
134.97548	3.3
136.99075	1.2
148.99149	4.4
152.98608	5.9
164.98610	9.5
177.33235	0.8
182.99681	1.9
192.14610	0.7
206.99677	2.7
225.00732	16.4
229.67380	1.0
229.69548	0.9
236.29936	0.8
243.01767	2.1
281.24835	3.2
299.04416	2.8
442.80200	0.8
581.29956	100.0
582.30328	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	582.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98828	100.0
71.01371	0.4
71.60444	0.2
72.99833	0.2
85.02911	0.2
89.02450	0.5
96.96026	0.4
99.00889	0.2
101.02467	0.4
109.95088	0.2
113.02503	0.2
114.16809	0.2
116.92840	0.3
122.98531	0.1
128.90163	0.2
131.03481	0.2
133.45221	0.2
179.03653	0.2
205.12990	0.2
247.73686	0.2
349.14780	0.2
365.93488	0.2
426.83850	0.2
458.28104	0.2
501.62671	0.2
504.68848	0.2
522.25787	1.0
576.85504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98826	100.0
63.99247	0.5
71.01384	0.4
71.37872	0.2
72.01707	0.2
85.02939	0.1
89.02470	0.2
90.92867	0.1
96.96061	0.3
101.02435	0.3
113.02468	0.2
125.02444	0.2
128.46069	0.1
128.70389	0.1
137.02469	0.2
181.28613	0.1
359.10840	0.2
374.13611	0.2
390.93008	0.2
419.17108	0.3
420.11407	0.5
420.17661	0.8
431.29352	0.2
522.25696	1.0
549.26483	0.2
582.24133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00183	0.1
56.74982	0.1
59.01376	0.7
61.94366	0.1
61.98828	100.0
62.98530	0.2
66.08893	0.2
70.13632	0.3
70.14025	0.3
71.01386	0.5
83.01379	0.2
89.02436	0.3
95.82454	0.1
100.08746	0.1
101.02445	0.3
116.84290	0.1
125.02422	0.2
131.03499	0.2
191.05672	0.2
205.05115	0.2
327.08621	0.3
328.09207	0.3
329.06729	0.2
344.08890	0.4
345.09351	0.4
347.79349	0.1
358.10516	0.3
359.11023	1.4
360.11636	1.3
373.12790	0.8
374.13229	1.9
375.13290	0.1
388.20737	0.2
389.12140	0.4
389.20734	0.2
390.12769	0.6
390.21326	0.4
394.00223	0.2
404.14612	0.2
405.15167	1.0
419.17209	1.7
420.17401	6.8
421.17776	0.5
479.36108	0.2
521.24646	0.2
522.25574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61214	0.2
57.03448	0.4
59.01373	3.3
61.98827	100.0
68.73225	0.1
71.01376	2.0
71.61964	0.3
73.02953	0.6
75.00861	0.2
78.91876	0.2
82.95412	0.3
83.01380	0.4
85.02959	0.7
87.00899	0.3
87.04479	0.2
88.98807	0.2
89.02453	1.0
93.03404	0.2
95.01361	0.2
96.95992	2.1
97.02986	0.2
99.00884	0.4
101.02449	1.6
105.00310	0.2
108.04583	0.3
109.02959	0.2
113.02475	1.0
119.03555	0.2
123.04572	0.4
125.02457	1.0
137.02377	0.3
143.03496	0.2
145.02974	0.4
149.02469	0.3
150.03226	1.5
151.00403	0.5
151.03625	0.3
159.61467	0.2
161.02455	0.4
161.04619	0.4
161.09746	0.2
162.03096	0.2
163.04056	0.2
165.05548	1.9
166.05905	1.1
167.03528	0.2
169.01463	0.8
172.87750	0.2
179.10837	0.3
183.80281	0.2
195.06505	0.8
196.07083	0.3
271.02457	0.4
289.07349	0.5
290.07755	0.2
300.02771	0.3
360.28537	0.3
417.49585	0.2
521.33661	0.6
522.26282	0.6
522.33527	3.4
523.34631	1.0
564.22260	0.3
572.15588	0.2
581.74774	0.3
582.24182	0.7
583.24237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.2
59.01379	1.4
61.98827	100.0
70.72207	0.2
71.01380	0.7
72.00320	0.2
73.02924	0.2
85.02956	0.3
87.00851	0.2
89.02441	0.4
89.09397	0.1
95.01352	0.2
96.96017	0.6
99.00913	0.2
101.02429	0.7
113.02454	0.5
119.03545	0.2
122.40162	0.2
125.02435	0.2
137.76442	0.2
149.04549	0.2
150.03252	0.3
165.05508	0.8
179.05551	0.2
195.06564	0.4
273.20337	0.2
285.03900	1.1
480.19470	0.2
522.33685	2.1
582.23285	0.2
583.23596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1088
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
51.53923	0.5
53.36803	0.4
59.01370	1.5
61.98820	2.2
63.02398	1.0
65.00326	1.5
66.64458	0.4
69.63335	2.6
71.01365	1.2
71.63122	0.4
73.02930	0.6
79.95731	4.2
80.94843	0.4
83.01389	1.4
85.02946	1.0
86.56093	0.5
91.01879	0.4
93.03437	1.1
94.71527	0.4
95.01357	0.5
96.96019	1.4
102.98632	0.5
107.01382	3.9
108.02184	1.4
109.02943	2.4
121.02944	2.2
122.19279	0.5
125.02461	0.7
135.00850	1.0
137.02496	1.1
148.01685	1.3
149.02425	0.4
151.00366	14.5
153.01898	1.5
163.00372	1.9
164.01151	0.9
165.56914	0.4
169.01402	1.2
178.99846	6.6
183.04469	0.8
187.03972	0.7
190.99863	0.6
192.00650	0.8
196.47798	3.7
199.03983	1.0
203.98975	2.8
211.04007	1.2
215.03616	0.5
216.04222	0.8
226.02673	1.0
226.80405	0.5
227.03499	4.3
229.01360	0.4
229.04915	0.5
239.09331	0.4
243.02951	10.7
243.96855	8.1
244.03513	1.1
244.47034	0.8
245.04521	1.0
254.02072	1.5
255.02977	29.2
256.03403	1.7
271.02460	59.9
272.03043	5.1
273.03943	0.9
283.02524	0.8
284.03320	1.6
285.03989	1.1
297.97412	0.6
299.01965	1.2
300.02731	99.7
301.03464	40.7
302.03888	1.3
312.99915	2.0
343.04749	0.6
368.52313	0.5
463.08786	17.5
464.09229	1.1
583.10901	100.0
584.11279	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	583.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.4
59.01379	5.0
61.98827	100.0
62.98520	0.6
63.99255	0.5
65.00329	0.5
71.01372	2.9
72.63916	0.3
73.02933	0.9
75.00860	0.9
76.59087	0.4
79.70981	0.3
81.03458	3.7
82.95442	0.4
83.01376	7.0
85.02959	1.5
87.00858	0.4
88.98766	0.6
89.02457	2.0
93.03461	0.6
95.01393	0.9
96.96003	4.0
99.00858	0.7
99.04514	0.6
101.02466	2.1
101.03007	0.3
107.01365	1.2
109.02956	0.5
111.00875	0.4
113.02441	1.6
117.03401	0.4
123.04520	22.9
124.01641	0.6
125.02438	50.1
126.02747	0.8
131.03569	0.4
135.04501	1.5
135.56142	0.4
137.02464	0.9
139.00420	0.4
145.02950	0.6
149.02423	1.3
150.03159	2.0
151.00357	3.3
155.10786	0.8
161.02509	0.5
161.04485	0.5
165.05531	1.5
166.02696	3.0
167.03482	68.6
168.00681	0.5
168.03770	1.3
169.01442	4.1
175.07710	0.4
176.04778	2.0
177.01846	0.6
179.03502	5.3
179.10612	0.4
179.14449	0.4
187.07727	0.8
191.03488	1.4
195.06653	1.0
198.01761	0.4
202.06296	0.6
205.08646	2.4
211.02454	1.5
229.04973	0.4
229.18053	0.5
231.10190	0.5
232.78963	0.4
239.16518	1.6
241.08731	1.1
255.03058	0.7
259.09750	0.8
271.04608	1.4
285.04034	4.8
288.06424	1.8
297.06168	0.6
297.11218	1.4
299.12766	0.4
300.02606	0.9
301.03613	0.6
313.05643	1.6
323.12784	1.1
325.10541	0.7
341.14087	0.5
361.29483	0.5
367.11810	2.1
385.12891	74.7
386.13309	4.9
403.00504	0.4
409.12854	0.8
456.13864	0.4
522.33643	0.7
523.34808	2.7
547.18896	1.8
583.10773	1.1
583.23621	6.7
584.10687	0.5
584.24341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68174	0.8
55.52064	0.8
57.03440	1.3
59.01100	1.5
59.01377	17.7
61.98827	35.4
64.33517	0.9
71.01383	12.9
71.61771	1.6
72.99290	1.6
73.02943	2.4
73.30537	0.8
75.00867	1.0
83.01400	2.1
85.02938	5.4
87.00864	1.8
88.98811	1.5
89.02441	9.1
93.03452	1.7
95.01401	1.3
96.96010	5.5
101.02439	7.2
113.02445	9.0
119.03510	4.2
120.05801	1.9
120.99644	1.9
125.02411	2.3
131.03542	1.1
133.10255	2.0
135.11775	9.8
137.02402	4.1
143.03477	1.4
145.02931	1.1
149.02415	2.8
149.04626	1.1
150.03134	3.6
151.03954	1.3
158.90549	0.9
159.11774	2.4
161.02390	1.8
161.04532	5.8
161.09714	14.1
164.04688	1.0
165.05573	2.1
166.05959	1.2
169.01395	1.3
169.02823	0.8
170.54750	0.8
179.05579	2.9
179.10760	56.7
180.11034	1.4
181.05029	1.1
193.12309	1.0
195.06625	2.1
197.02174	1.7
203.10690	5.6
221.11717	3.4
223.09740	100.0
224.10007	3.6
263.28448	1.1
265.10757	3.9
285.03906	1.0
300.99863	1.2
325.12820	1.6
341.15970	1.9
385.15012	77.5
386.15347	5.2
421.18723	2.1
475.18658	2.5
491.19562	1.2
493.19684	1.2
508.99536	1.0
535.20288	1.6
554.03204	1.1
582.75793	1.6
583.16650	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	583.2217
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
54.96822	0.2
57.03434	0.2
59.01377	2.5
61.98825	5.0
69.27849	1.2
69.28271	0.9
70.23839	0.3
71.01379	1.1
72.99320	0.3
73.02943	0.2
75.00874	1.4
78.95899	0.5
79.95734	5.0
85.02965	0.5
89.02427	0.7
95.95231	1.5
96.96005	100.0
97.95909	0.3
98.20672	0.5
98.95603	0.4
99.00901	0.3
101.02449	0.9
102.46490	0.3
110.53066	0.3
113.02437	0.6
120.99673	0.4
121.02916	0.3
122.03689	0.3
125.02429	0.5
141.57980	0.2
147.04535	1.5
150.03209	0.7
155.10779	0.4
165.05547	0.8
167.03426	0.4
169.01451	0.4
195.06654	0.5
245.08658	0.3
257.08582	0.6
273.11676	2.3
291.12790	0.3
316.88986	0.2
333.13785	0.3
387.14594	0.4
435.16849	0.6
562.27942	0.3
583.22058	63.7
584.22418	6.2
584.31775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.4
61.98819	3.8
65.58881	0.3
71.01371	1.2
71.61743	0.6
74.79427	0.3
85.02966	0.5
96.95981	1.0
97.02950	0.5
99.00913	0.4
101.02445	0.7
101.17855	0.3
109.02944	2.3
113.02417	0.5
120.99589	0.7
123.04519	0.5
124.01641	3.2
125.02454	4.7
136.01682	0.5
137.02432	12.8
138.03229	4.7
139.04016	6.0
139.05037	0.8
145.02986	0.5
150.03229	0.7
151.03999	4.2
152.04785	4.2
153.05531	0.6
159.04448	0.4
161.02403	0.5
161.04605	0.4
161.06119	0.4
162.03159	1.1
163.04008	1.5
164.04782	0.9
165.05527	1.3
166.06322	0.6
167.07083	0.4
170.02164	0.6
175.03992	1.3
176.04776	1.3
177.05579	2.8
179.03474	1.4
179.07001	0.4
180.04280	3.6
181.05032	7.8
183.96515	0.3
184.03781	1.0
188.04854	0.5
189.05498	0.6
190.06274	0.7
191.07112	0.8
193.05048	0.5
194.05798	3.9
195.04790	0.8
195.06607	16.7
196.06808	0.4
205.05185	0.4
206.05847	1.0
207.06616	2.8
208.07156	0.5
209.08165	3.9
221.08153	0.5
236.06836	0.4
237.07487	0.6
238.08574	0.4
259.34973	0.4
342.61938	0.4
343.11935	0.4
361.12863	4.1
362.13684	0.4
373.12875	0.6
375.14420	1.4
376.14728	0.4
391.13937	10.9
392.14172	0.9
399.65662	0.5
406.16238	14.7
407.16592	1.3
421.18640	100.0
422.19016	7.6
439.43982	0.4
523.27704	0.6
583.25012	0.8
597.92096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01525	0.1
55.82332	0.1
59.01373	0.7
61.98825	100.0
69.28182	0.5
69.28603	0.4
71.01372	0.5
72.99313	0.1
73.02203	0.1
77.84802	0.1
83.01411	0.1
85.02962	0.2
89.02448	0.2
94.00728	0.1
95.01409	0.1
96.96011	0.4
101.02474	0.3
113.02458	0.2
119.05101	0.1
122.49808	0.1
125.02412	0.2
135.04510	0.2
137.02469	0.1
145.03015	0.2
151.00381	0.4
169.01471	0.3
248.29298	0.1
263.06580	0.1
287.05624	0.4
297.97409	0.1
299.12067	0.1
312.99960	0.4
328.02420	0.4
343.04541	0.7
523.35126	0.2
524.35248	0.8
534.50562	0.1
584.12018	0.2
584.24652	0.1
585.12799	0.4
608.03418	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.1
59.01384	0.3
61.98825	100.0
67.52473	0.1
69.28422	1.1
71.01382	0.2
71.71302	0.1
85.02914	0.1
96.96012	0.1
106.52055	0.1
107.28376	0.1
113.74717	0.1
121.02969	0.2
122.03712	0.3
123.70528	0.1
125.02414	0.1
149.02432	0.7
150.03224	1.9
164.04849	0.1
165.05563	1.9
195.06638	1.0
329.10522	0.1
344.12653	0.2
359.15018	0.3
371.15033	0.4
387.24182	0.1
495.47546	0.1
507.66077	0.1
524.34717	0.2
537.21155	1.0
584.23706	0.1
585.23999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1242
Annotation	CHEBI:73787
Peak:m/z	Relative Intensity
57.03422	3.8
58.30075	0.9
59.01380	9.5
61.98824	33.4
68.59911	0.8
71.01384	8.0
71.25426	1.3
72.99283	1.3
73.02923	1.5
75.00834	1.6
78.95860	0.8
79.63726	1.0
79.95700	1.1
81.03453	1.1
83.01370	3.8
85.02943	4.1
86.55059	1.0
87.00875	1.7
87.04486	1.9
88.98773	1.6
89.02422	3.4
93.03422	2.9
95.01378	1.0
96.96003	16.8
97.02921	1.1
99.00867	1.3
101.02430	5.0
103.03942	0.9
107.01379	15.0
109.02969	1.5
111.00897	4.9
113.02406	3.4
114.56031	1.0
117.03420	2.4
119.05021	16.2
121.02901	1.4
123.00906	4.8
123.04480	1.7
124.01599	0.8
125.02444	64.6
126.02718	1.2
133.02916	1.0
135.04480	0.8
137.02385	2.8
137.06046	1.1
139.00337	2.5
139.03972	1.3
140.01067	1.9
143.43135	0.9
145.02959	5.0
149.02406	1.9
150.03169	1.2
150.99188	1.8
151.00363	30.7
151.03955	1.2
153.05429	1.3
155.10796	1.1
161.02435	5.5
165.01855	3.8
165.05536	1.9
167.03453	2.2
168.00604	3.0
169.01413	56.9
170.01680	1.3
173.00853	2.4
175.00249	1.1
177.01857	3.4
179.03433	1.7
179.10693	0.9
185.05991	1.1
191.05629	0.9
193.01349	1.3
195.06569	1.2
211.02464	8.4
212.02779	1.0
227.07077	1.7
241.03381	1.6
271.06335	15.3
289.11090	1.0
300.02930	1.0
313.05612	52.2
314.06085	1.6
337.92822	0.9
371.30035	0.9
387.23709	1.5
439.08755	37.5
439.14780	2.0
440.09061	2.4
463.18268	1.0
465.06589	2.3
491.08203	3.4
522.20313	3.2
523.21661	2.9
524.35321	2.1
525.35217	1.3
549.22858	3.4
549.30286	1.0
585.12286	100.0
586.12622	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	585.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.8
58.30075	0.9
59.01380	9.5
61.98824	33.4
68.59911	0.8
71.01384	8.0
71.25426	1.3
72.99283	1.3
73.02923	1.5
75.00834	1.6
78.95860	0.8
79.63726	1.0
79.95700	1.1
81.03453	1.1
83.01370	3.8
85.02943	4.1
86.55059	1.0
87.00875	1.7
87.04486	1.9
88.98773	1.6
89.02422	3.4
93.03422	2.9
95.01378	1.0
96.96003	16.8
97.02921	1.1
99.00867	1.3
101.02430	5.0
103.03942	0.9
107.01379	15.0
109.02969	1.5
111.00897	4.9
113.02406	3.4
114.56031	1.0
117.03420	2.4
119.05021	16.2
121.02901	1.4
123.00906	4.8
123.04480	1.7
124.01599	0.8
125.02444	64.6
126.02718	1.2
133.02916	1.0
135.04480	0.8
137.02385	2.8
137.06046	1.1
139.00337	2.5
139.03972	1.3
140.01067	1.9
143.43135	0.9
145.02959	5.0
149.02406	1.9
150.03169	1.2
150.99188	1.8
151.00363	30.7
151.03955	1.2
153.05429	1.3
155.10796	1.1
161.02435	5.5
165.01855	3.8
165.05536	1.9
167.03453	2.2
168.00604	3.0
169.01413	56.9
170.01680	1.3
173.00853	2.4
175.00249	1.1
177.01857	3.4
179.03433	1.7
179.10693	0.9
185.05991	1.1
191.05629	0.9
193.01349	1.3
195.06569	1.2
211.02464	8.4
212.02779	1.0
227.07077	1.7
241.03381	1.6
271.06335	15.3
289.11090	1.0
300.02930	1.0
313.05612	52.2
314.06085	1.6
337.92822	0.9
371.30035	0.9
387.23709	1.5
439.08755	37.5
439.14780	2.0
440.09061	2.4
463.18268	1.0
465.06589	2.3
491.08203	3.4
522.20313	3.2
523.21661	2.9
524.35321	2.1
525.35217	1.3
549.22858	3.4
549.30286	1.0
585.12286	100.0
586.12622	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	585.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36691	0.6
57.07471	0.5
57.52477	0.6
58.00561	0.7
59.01376	5.2
61.84894	0.5
61.98838	1.4
67.20901	0.6
67.88635	0.5
69.98611	1.5
69.99010	1.0
71.01372	1.6
73.02940	1.3
79.95733	18.8
80.96529	1.0
85.02947	1.5
87.00833	1.0
89.02481	0.7
96.95984	3.7
98.19975	1.2
99.14722	0.6
101.02451	0.7
102.98595	0.7
104.98182	0.8
109.02926	0.7
121.02942	3.1
122.96077	0.6
130.70569	0.6
159.04463	1.1
167.10959	0.6
240.04437	0.8
263.07181	1.0
268.07455	1.7
269.08090	1.6
270.08743	0.8
275.16028	0.8
281.08209	6.1
282.08893	2.0
283.09674	3.8
293.08084	0.9
294.09070	1.0
295.09586	1.0
297.11481	0.8
299.09158	1.1
300.09976	0.9
310.26111	0.6
311.09125	1.6
314.11441	1.2
315.12427	3.1
326.11646	3.0
327.12238	4.4
328.09546	0.7
329.13773	3.0
341.13916	2.8
343.11795	3.2
355.11725	3.6
369.13074	1.0
429.15411	0.9
445.15262	4.1
457.15021	3.2
460.17288	13.8
461.17538	1.0
472.17255	7.6
475.19669	27.0
476.20090	2.4
487.19754	8.9
555.15161	2.3
585.16412	100.0
586.16791	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	585.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54547	0.2
56.67152	0.2
58.44492	0.2
59.01385	1.2
61.98825	0.7
63.90907	0.2
71.01382	1.5
73.02969	0.4
75.00857	0.3
79.95738	5.3
85.02950	0.5
87.00874	0.5
89.02428	0.9
95.95236	1.8
96.96008	100.0
99.00886	0.3
99.44959	0.2
101.02443	0.6
113.02456	0.5
125.02443	0.5
131.03461	0.6
149.02483	0.3
150.03163	0.4
165.01903	0.2
165.05501	0.4
167.07190	0.3
169.01492	0.3
171.16582	0.2
195.06612	0.5
257.08615	0.4
273.11703	1.7
288.30740	0.2
421.97037	0.3
453.18222	1.3
585.22192	80.3
586.22552	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	586.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98829	100.0
62.98541	0.2
63.05537	0.1
71.01383	0.5
72.99323	0.2
73.02945	0.2
79.95725	0.4
80.91698	0.3
82.95420	2.4
82.95872	0.2
84.95129	0.5
85.02959	0.2
85.30811	0.2
89.02438	0.4
96.95997	0.9
98.95596	0.2
99.00945	0.2
101.02419	0.4
113.02476	0.3
117.03535	0.2
119.03486	0.2
121.86909	0.1
125.02473	0.5
145.03014	0.2
147.04547	0.4
151.04060	0.2
161.02362	0.3
165.05470	0.2
169.01482	0.5
286.02780	0.2
289.07034	0.2
300.02652	0.2
344.16525	0.2
346.35330	0.2
387.24179	0.3
388.24411	0.4
389.25461	0.7
523.14642	0.3
523.21796	0.4
533.20569	0.2
586.16614	0.3
587.19843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.50412	0.1
61.98826	100.0
63.99256	0.1
69.30332	0.9
71.01374	0.6
73.02945	0.2
79.95730	0.3
80.91684	0.2
82.95406	0.7
83.01392	0.3
85.02973	0.2
87.00902	0.2
88.98853	0.1
89.02458	0.3
92.33134	0.1
93.03519	0.1
95.86073	0.1
96.96012	1.8
101.02459	0.4
107.01392	0.2
107.71580	0.1
109.02954	0.2
111.00906	0.1
113.02460	0.3
116.15791	0.1
119.05066	0.2
120.99670	0.2
123.00904	0.2
123.04544	0.3
125.02440	1.1
126.02788	0.2
137.02473	0.1
139.00351	0.1
143.05049	0.1
145.02974	0.3
151.00395	0.3
161.02452	0.4
161.04613	0.1
165.01941	0.4
166.02301	0.2
166.99776	0.1
167.03477	0.2
169.01421	1.2
170.01727	0.1
171.89711	0.1
175.02498	0.2
179.03529	0.2
180.04196	0.2
180.55939	0.1
195.06709	0.3
225.07680	0.4
226.08205	0.1
227.07080	0.2
228.07375	0.1
243.96878	0.2
267.07034	0.1
273.07712	0.1
289.98608	0.1
313.00156	0.1
313.05609	0.5
314.05960	0.2
329.13855	0.1
523.21875	0.2
526.36115	0.2
542.14331	0.2
549.23486	0.1
550.23492	0.3
586.12231	1.2
586.25684	0.4
587.13861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.87717	0.1
61.98827	100.0
63.99259	0.3
64.88174	0.1
69.26889	0.6
69.27309	0.6
71.01390	0.5
73.02953	0.1
79.45142	0.1
79.95734	0.3
80.91708	0.1
81.99628	0.1
82.95424	0.4
83.01393	0.2
87.00849	0.2
88.98808	0.2
89.02426	0.2
96.96004	3.8
101.02479	0.2
113.02451	0.4
123.04603	0.2
125.02474	0.3
141.46330	0.1
151.00331	0.3
153.01895	0.1
175.02448	0.2
287.05734	0.2
341.06644	0.3
418.14368	0.2
435.10898	0.2
523.21875	0.2
586.25226	0.2
587.26245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95672	0.4
56.28012	0.5
57.62832	0.4
58.00589	0.4
59.01099	0.6
59.01380	10.4
61.98825	1.0
69.64961	2.8
71.01374	3.0
72.30888	0.5
72.99299	0.8
73.02948	1.6
74.54247	0.4
75.00865	0.6
79.95736	11.3
80.96512	1.3
83.01365	0.9
85.02947	2.5
87.00863	1.4
87.04497	0.7
88.98799	0.8
89.02448	3.0
89.70477	0.5
93.03467	0.6
95.95238	2.2
96.59426	0.5
96.96008	20.6
97.02885	0.5
98.20540	0.8
101.02450	3.2
103.04012	0.8
108.02138	1.2
113.02464	1.0
119.03531	0.7
122.03766	2.3
122.97586	1.0
123.04497	1.3
125.02445	1.7
129.13310	0.4
131.03473	1.1
134.03734	10.7
135.04538	3.3
137.02412	1.8
145.02919	0.8
146.02594	0.9
146.03734	15.7
147.04541	3.7
148.05176	0.5
149.02411	0.8
149.04663	1.0
149.06073	16.7
150.03229	3.0
150.06331	0.4
151.04012	1.1
161.02457	1.0
161.04807	0.5
161.06073	9.6
162.03203	0.9
163.03975	0.6
163.06038	0.9
164.03481	0.7
164.04782	10.9
165.05562	3.7
167.07130	18.0
168.07550	0.8
169.01445	0.6
177.05519	1.5
179.07126	29.9
180.07491	1.0
182.82300	0.4
195.06584	2.0
199.03987	0.7
199.93530	0.4
203.12743	0.8
227.03435	3.1
233.13918	2.2
257.01273	1.1
275.02243	1.7
312.12048	1.9
313.12915	24.1
314.13376	1.0
325.12701	0.6
339.14575	0.7
349.18732	0.8
367.13855	2.2
383.07736	0.8
392.08084	0.6
405.08521	0.9
427.06491	1.1
461.18063	0.9
489.48532	0.4
535.30969	0.8
589.15887	100.0
590.16248	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	589.2411
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
53.12457	1.2
57.03452	1.6
59.01378	8.9
61.72695	1.2
61.98821	2.1
71.01372	2.1
73.02966	1.3
78.95901	100.0
79.95714	1.4
80.02686	1.4
81.03448	2.0
83.05044	6.2
85.02948	1.3
96.95995	3.6
96.96968	9.0
97.02920	2.4
98.19717	1.4
109.06576	17.9
123.56928	1.2
125.14875	1.0
135.08148	2.4
152.99571	61.5
163.11281	10.0
163.73029	1.1
165.12921	1.3
171.00557	1.3
181.12285	3.9
207.10229	19.7
209.11809	53.0
225.11340	14.2
227.12852	7.4
230.41493	1.4
246.36075	1.1
318.45703	1.2
361.10516	24.3
363.12137	28.8
364.12402	1.8
379.11627	7.2
381.13266	9.2
589.24042	60.2
590.24390	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	589.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04357	2.8
50.66877	2.7
51.02322	3.0
58.00568	4.3
58.84225	3.0
59.01376	68.4
59.47093	3.1
61.98824	39.0
62.92685	3.3
71.01376	63.9
71.59952	3.6
73.02924	9.6
74.53741	3.3
77.30556	3.3
83.01418	3.5
85.02947	7.5
89.02440	100.0
89.74010	3.1
96.96022	6.6
97.02944	8.0
99.00874	22.3
101.02415	33.7
113.02424	6.5
115.03985	3.9
125.02439	35.2
131.03470	14.7
142.59450	3.3
143.03581	3.8
143.10716	4.8
149.04561	55.1
153.77989	4.1
161.04597	5.7
191.05588	12.2
209.11746	10.4
221.06657	4.6
227.02277	3.2
233.06586	10.7
235.16895	15.7
259.17026	4.8
293.08746	60.2
311.09964	3.7
319.58252	3.5
325.07407	3.5
373.36932	3.4
432.58298	4.0
453.59348	3.5
456.06351	3.5
498.93625	3.8
589.33350	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	589.374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
63.02713	1.4
106.46711	1.1
122.55975	1.1
182.50589	1.3
191.14420	3.4
221.15437	3.0
264.54788	1.0
362.71594	1.7
402.31516	1.2
511.34265	8.7
512.34949	1.6
529.35443	5.4
541.60950	1.1
589.38800	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	590.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81236	1.0
59.01369	4.3
61.98829	8.9
71.01392	3.1
71.60995	1.3
81.66576	1.0
83.01368	1.6
84.95451	1.0
85.02961	1.7
87.00897	2.0
93.03461	1.1
95.01385	1.6
96.96007	5.1
101.02437	1.6
107.01377	3.9
109.02940	2.0
111.00864	2.7
113.02447	2.2
121.02949	1.6
123.00892	8.4
123.04521	2.1
125.02440	23.6
127.00362	1.2
133.02892	1.1
137.02443	2.1
139.00354	3.7
140.01140	3.0
149.02408	4.6
150.03226	9.6
151.00356	5.2
151.03951	1.5
161.02374	1.1
162.03209	1.3
163.00371	1.2
163.03983	1.2
164.04796	1.7
165.05576	9.0
168.00627	7.9
169.01408	34.8
170.01689	1.6
170.08603	1.0
179.03532	1.4
179.07135	1.5
183.02986	4.4
185.50536	1.0
195.06639	1.4
205.05106	1.9
209.04491	1.5
211.02411	3.5
225.03957	4.1
271.04437	2.4
285.06174	4.4
297.06082	2.1
313.05649	14.3
327.07071	1.5
369.11823	2.1
385.07602	2.7
385.12006	1.0
476.15079	1.3
479.12000	24.2
480.12579	1.9
509.13062	3.3
527.14020	100.0
528.14557	7.4
590.20990	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	590.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85658	0.1
55.05602	0.1
59.01371	0.2
61.98827	100.0
69.29438	1.1
78.95907	0.4
96.96037	0.2
98.19823	0.3
102.14703	0.1
124.42802	0.1
152.99622	0.3
170.53889	0.1
209.12003	0.2
211.13370	0.2
217.91211	0.1
225.11151	0.1
265.87204	0.1
330.73727	0.1
464.50098	0.1
514.61017	0.1
590.35480	0.2
595.30719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01381	25.4
61.98829	20.1
67.01887	2.4
69.03448	2.0
69.44286	1.2
71.01384	19.0
71.62008	2.2
72.99312	3.5
73.02945	4.8
75.00866	5.0
78.95916	2.6
79.95727	13.1
81.03455	2.7
83.01377	4.6
85.02945	7.7
87.00874	5.4
88.65450	1.2
88.98789	5.5
89.02435	9.3
90.13181	1.2
92.65450	1.2
93.03431	1.4
95.01385	9.5
96.96007	44.8
97.02952	2.2
99.00878	3.1
99.75008	1.1
101.02431	10.3
105.61618	1.2
107.01397	8.2
109.02964	6.0
111.00864	4.4
111.04524	1.5
113.02447	10.1
119.04954	1.3
120.99666	1.6
121.02939	4.2
122.73405	1.3
123.00879	20.9
123.04515	3.1
124.01672	4.0
125.02444	29.0
126.65298	1.2
130.43793	1.2
131.03487	3.4
135.04530	1.9
136.98824	2.6
137.02454	5.8
139.00418	8.7
139.03999	5.6
140.01144	8.5
141.01926	2.1
143.03419	1.4
145.03004	1.4
149.02419	4.6
149.04532	2.4
151.00389	10.2
151.03978	4.2
153.01868	1.9
153.05615	1.6
159.04515	1.3
161.02469	2.5
161.04510	5.1
161.05920	1.1
163.04022	1.4
165.01823	1.8
166.99832	7.7
168.00626	9.8
169.01418	21.0
171.10332	1.5
177.01881	1.6
179.03552	2.2
183.02946	14.5
191.82289	1.4
195.02892	2.1
201.11209	1.4
203.07033	1.5
205.04984	1.4
215.07127	2.5
216.28380	1.4
221.06619	2.0
227.12898	1.2
237.14970	3.4
240.04265	1.4
245.08350	1.7
269.07910	2.1
271.02335	3.0
281.08167	3.5
282.08878	2.2
289.07211	10.0
299.09216	2.1
299.99033	2.2
300.02615	2.0
300.09946	3.6
301.07211	7.8
301.10272	1.3
311.09305	1.7
314.11426	2.0
315.12323	12.2
326.11667	1.5
327.12354	3.8
329.13773	2.4
345.22867	2.9
375.10776	3.6
398.22717	1.5
439.10315	3.0
448.11646	2.1
449.12491	1.5
451.10251	5.5
463.10452	1.9
466.12628	14.9
467.13327	1.6
478.12656	13.9
481.15009	80.9
482.15234	6.6
493.14954	22.9
494.15378	2.9
511.16028	75.6
512.16412	8.6
530.26892	3.0
531.28021	10.9
590.23260	2.9
590.73505	11.4
591.11810	100.0
591.23383	18.2
591.73773	7.0
592.12146	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	591.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73902	0.3
59.01374	2.3
61.98830	1.7
66.55828	0.3
69.03455	1.1
71.01383	1.3
73.02941	0.5
79.01891	0.6
79.95729	0.8
81.03437	0.5
83.01382	0.4
84.95112	0.4
85.02956	0.9
87.00892	0.3
89.02441	1.0
95.01379	0.7
96.96014	5.9
97.02937	1.5
98.19907	1.0
98.95578	0.4
101.02444	0.9
102.57618	0.3
107.01387	15.1
113.02437	0.7
117.03448	0.6
119.05028	0.6
121.02886	0.3
123.00838	0.7
124.01677	0.7
125.02441	77.2
126.02784	1.2
137.02486	0.4
139.04086	0.4
145.02940	1.8
151.00327	0.5
151.04005	0.5
163.03990	0.6
168.00607	0.7
169.01413	100.0
170.01762	2.2
183.02960	3.0
196.35330	0.3
227.03490	0.3
229.68880	0.3
255.02979	0.4
283.09760	1.2
284.03088	0.5
298.11893	0.3
301.03455	1.4
311.09253	4.1
312.09763	0.4
325.11029	0.5
326.11581	3.1
327.12311	0.4
328.11594	0.6
329.14127	0.7
341.13968	1.5
343.13986	3.1
344.14297	0.3
426.62939	0.3
436.58777	0.3
439.10696	0.3
465.08578	0.5
511.16040	53.7
512.09558	0.5
512.16425	5.1
531.27875	0.6
553.23102	0.7
590.73743	1.5
591.11768	36.0
591.22278	1.2
592.12146	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	591.1507
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
53.89463	0.6
57.03429	2.2
59.01385	4.1
61.98827	2.4
69.03452	1.5
69.26944	6.5
71.00952	0.7
71.01362	4.0
71.05013	1.3
73.00443	0.7
73.02946	1.1
73.13557	0.6
75.00861	0.7
80.02676	0.7
80.79948	0.7
81.03471	2.4
83.01385	5.9
85.02920	1.1
88.98813	0.9
89.02462	1.7
93.03440	3.9
95.01404	1.5
95.05029	2.4
96.96030	3.9
97.02937	6.3
99.00906	0.8
101.02422	2.0
105.03423	1.5
108.02154	1.1
109.02946	33.5
110.03284	0.9
111.00883	0.7
113.02441	1.9
119.05022	1.1
121.02959	5.2
122.03726	1.9
123.04530	17.8
125.02444	17.3
131.03514	0.8
132.13274	0.8
135.04530	3.5
136.01671	1.4
137.02437	36.2
138.03087	1.3
139.04001	12.0
145.02927	1.9
146.03720	1.4
147.04515	3.6
149.02437	26.7
150.03145	2.0
151.00394	1.0
151.03995	21.5
159.04515	3.0
160.05269	1.1
161.02434	5.9
161.06081	6.1
162.03198	1.3
163.03938	3.0
164.01122	4.1
165.01956	4.9
166.02655	1.3
167.03416	2.1
173.06055	0.7
173.08430	0.7
174.03203	1.5
175.03918	3.6
175.07613	1.6
176.01111	2.8
177.01926	3.4
178.02701	2.9
179.03506	9.5
181.05046	1.5
185.06056	1.4
186.99123	0.7
187.03944	3.9
188.04781	3.0
191.03506	7.2
191.05270	1.0
192.04305	1.4
197.06064	1.5
201.05426	0.9
202.06326	2.5
203.03368	0.9
203.07129	13.7
205.05061	9.3
212.04723	0.9
213.05562	6.7
215.07114	30.0
217.05081	0.8
217.08685	0.9
221.08159	2.6
227.07135	2.5
230.05664	1.0
245.08165	20.2
247.06097	1.7
257.08160	9.2
267.71259	0.8
270.98920	1.6
271.06052	1.2
277.85831	0.7
283.06100	0.8
289.07159	100.0
290.07422	5.0
298.98203	1.6
299.99170	8.8
300.02515	1.6
300.99973	1.8
301.03912	2.7
301.07138	79.8
302.07678	3.6
314.00589	1.3
315.01486	8.4
387.14499	2.8
433.19131	0.8
439.10284	25.8
440.10715	1.8
477.06781	7.2
531.27576	1.0
547.16406	0.8
582.14166	0.7
591.01373	1.0
591.15302	19.2
591.22382	0.7
591.30139	2.5
592.15326	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	591.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
59.01378	60.2
66.88039	0.9
71.01366	5.6
75.22182	0.9
83.01391	1.2
85.02955	2.1
89.02448	3.5
92.26288	1.1
93.03503	1.0
95.01411	2.2
96.96010	5.5
98.19814	1.7
100.70358	0.9
101.02418	3.0
107.04967	1.1
109.02886	1.6
111.00922	1.2
113.02438	6.8
118.23869	1.0
119.03462	2.0
121.02943	4.1
123.04481	1.1
125.02444	3.8
135.04570	1.6
137.02501	1.1
138.03175	1.4
149.02429	37.9
149.03613	2.0
151.99983	1.2
152.01122	1.2
153.05516	1.5
161.02423	1.4
161.04559	2.3
162.03156	1.3
163.03999	3.0
164.04779	66.1
165.05342	1.3
166.02765	2.0
173.57878	1.1
175.00314	7.7
175.03886	1.2
177.02065	1.1
177.05647	1.3
179.07127	38.6
180.07523	2.0
180.96896	0.9
182.89580	0.9
190.02701	27.8
191.03423	2.1
193.01439	1.8
205.05046	41.4
206.05630	5.3
207.02913	2.3
208.03729	6.8
221.08165	5.5
223.06099	48.8
224.06410	1.5
237.07608	1.1
247.05917	2.5
250.04839	2.4
265.07150	21.7
266.07278	1.0
272.08826	1.2
289.07147	1.3
295.08298	3.8
325.09283	3.4
369.11862	100.0
370.11993	5.0
385.11429	27.9
386.11826	1.1
411.13226	1.2
591.19098	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	591.2575
Annotation	Scortechinone F
Peak:m/z	Relative Intensity
56.89896	0.7
59.01382	11.2
61.98820	4.9
70.87710	0.8
70.88033	1.4
71.01381	5.9
72.99372	0.7
73.02959	1.6
78.95901	100.0
80.02671	1.7
81.03461	2.4
83.05025	8.9
83.41880	0.8
84.02149	1.9
85.02963	1.6
89.02428	3.7
95.05022	1.0
96.96016	2.0
96.96960	8.3
97.06560	0.8
99.00885	1.4
101.02437	2.2
101.38498	0.8
109.42446	0.8
113.02444	2.0
119.03522	1.0
135.08154	1.0
149.04495	2.3
150.97943	0.9
152.99580	59.1
153.65286	0.8
153.99907	0.8
161.09654	0.8
163.11270	5.8
165.12856	4.1
171.00635	1.1
191.10739	1.6
209.11810	94.1
210.12122	4.4
219.60887	0.8
227.12880	9.9
263.06177	0.9
284.25525	0.9
363.12122	42.2
364.12485	2.2
381.13150	12.2
382.13354	1.0
385.15176	1.4
414.21570	0.8
487.32861	5.3
505.33832	3.1
531.28308	6.1
591.25690	74.3
592.26166	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	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.85128	0.6
61.98808	1.3
67.13502	0.5
69.86314	1.2
69.86719	2.0
71.17016	0.5
72.79451	0.5
88.88280	0.5
98.19891	0.9
249.27730	0.6
269.55270	0.6
299.26300	0.6
341.30557	0.5
419.73605	0.6
443.22388	1.8
445.20264	1.8
455.22507	1.3
456.23315	1.5
459.21829	2.6
462.20865	0.7
471.20926	1.3
471.25729	2.2
472.23193	1.2
473.23694	1.1
476.18683	0.7
482.21140	1.7
484.18875	0.7
485.19748	2.0
487.25699	2.9
497.23257	3.1
499.21277	3.2
500.22159	13.2
501.22906	1.1
504.21530	0.8
513.22443	0.6
515.24487	100.0
516.24750	11.1
519.23816	0.7
559.23499	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	592.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79280	0.4
59.01364	0.6
61.98826	100.0
63.12961	0.3
78.95901	0.4
96.96024	0.5
121.02943	1.8
136.82709	0.4
140.62967	0.3
192.67313	0.4
201.27798	0.4
209.04539	0.9
214.91721	0.3
216.57930	0.3
354.17953	0.3
354.55261	0.4
592.39984	0.4
593.13342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71034	0.6
59.01383	5.0
61.98831	3.4
63.02393	1.1
65.00336	0.6
67.01881	0.6
71.01382	4.0
71.59868	0.8
73.02950	0.6
74.99088	0.8
79.95705	0.8
83.01385	1.8
83.19925	0.6
83.64738	0.6
85.02949	1.8
87.00883	0.8
88.98792	1.5
89.02441	2.2
90.84612	0.6
93.03457	2.0
95.01401	0.6
96.96009	5.4
101.02407	2.5
102.02757	0.6
106.66959	0.6
107.01366	2.5
109.02943	1.3
113.02440	1.2
117.03445	0.9
119.04983	1.0
121.03001	0.6
125.02470	0.9
131.03473	0.6
135.00888	0.7
136.99168	0.7
137.02420	1.5
142.87823	0.7
143.03511	0.6
143.05022	1.1
145.02953	4.4
151.00388	3.7
157.06618	0.7
159.04515	1.4
161.02382	0.9
163.00316	1.5
165.01828	1.1
169.01422	0.7
169.06621	0.6
171.04515	1.0
183.04547	0.8
185.06042	2.5
187.04036	2.9
189.05569	0.7
197.06117	1.1
199.03989	1.2
201.05417	0.9
211.03990	1.4
213.05524	2.2
215.03473	0.8
227.03461	5.6
229.05032	11.5
233.48834	0.7
237.09708	1.3
239.03412	1.9
239.16544	0.8
240.04243	0.8
241.05107	1.5
255.02934	8.5
256.03641	1.5
257.04550	6.8
283.02496	1.5
284.03235	7.6
285.04025	100.0
286.04361	5.1
307.08267	1.9
373.25916	2.4
429.08087	0.9
445.69122	0.8
447.09308	2.0
456.31061	0.8
532.24646	1.2
533.25208	1.2
584.19830	0.7
593.12585	8.2
593.20599	0.6
593.26068	1.3
594.13263	1.2
607.27509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63632	0.5
56.16975	0.5
57.03450	0.8
59.01379	18.6
61.98831	11.5
63.02377	0.8
65.00315	0.8
71.01372	4.4
71.60786	1.1
73.02953	1.2
76.77788	0.6
78.95902	4.7
79.95740	0.5
82.56310	0.5
82.95410	0.9
83.01366	1.4
85.02950	1.6
87.00872	1.2
88.25866	0.5
89.02422	1.6
89.33562	0.6
95.01382	0.6
95.30968	0.5
96.95996	2.7
97.74966	0.6
101.02416	2.8
107.01403	2.6
108.02179	1.3
109.02936	0.7
113.02457	1.7
119.03503	0.5
119.59103	0.5
121.02934	1.6
125.02431	0.7
135.00867	1.1
148.01657	1.2
149.02420	0.5
149.04550	0.8
151.00360	7.0
152.99586	3.8
161.04599	0.6
162.24847	0.6
163.00343	2.2
164.01189	0.6
169.01465	1.1
178.99843	4.5
185.11798	0.8
188.04782	0.7
190.02762	0.7
198.03290	0.9
199.03987	1.5
201.01917	0.7
209.11803	2.0
211.03934	1.0
211.13344	1.5
215.03577	1.6
216.04265	1.0
226.02689	5.2
227.03462	5.1
229.05159	0.8
241.14546	0.6
243.02954	18.4
244.03442	0.9
254.02225	6.4
255.02948	21.0
256.03348	1.2
268.37463	0.6
271.02448	84.3
272.03030	6.4
299.01987	1.7
299.25836	0.7
300.02725	89.1
301.03439	25.5
302.03894	1.0
343.04639	1.0
363.11859	0.9
365.13596	0.6
445.07468	0.7
489.34222	9.7
506.16931	0.6
507.35532	2.9
533.28711	0.6
549.32684	2.7
575.26276	1.2
593.12994	100.0
593.26624	4.4
594.13452	9.9
596.53949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32158	0.6
57.03449	0.6
59.01377	7.9
61.15327	0.6
61.98828	11.9
65.00308	1.0
71.01378	4.3
71.61014	0.6
72.99306	0.9
73.02954	1.8
75.78350	0.6
78.95892	2.1
79.95697	0.7
80.56694	0.6
82.95425	1.2
83.01385	1.9
84.11655	0.6
84.95107	1.9
85.02953	2.2
87.00870	1.1
88.98799	1.3
89.02448	2.3
95.01386	0.6
96.95998	4.0
99.00873	0.7
99.04576	0.6
101.02467	2.8
107.01361	2.1
108.02193	1.3
109.02934	2.0
113.02435	1.4
119.03516	0.9
121.02946	1.6
123.00861	0.8
124.01646	0.9
125.02438	2.9
131.03543	0.8
135.00862	0.9
137.02455	1.0
147.04539	0.6
148.01659	0.7
149.02432	1.1
149.04549	0.7
151.00356	8.7
155.10760	0.8
161.04529	1.1
163.00380	2.5
163.04012	0.8
164.00945	0.8
165.01886	0.9
169.01387	1.2
174.03166	1.3
175.04057	0.8
178.99858	3.8
179.10817	0.7
190.02750	1.0
198.03212	1.1
199.03914	1.7
211.04053	1.0
226.02675	5.9
227.03426	4.8
228.04034	0.8
232.76642	0.6
243.02962	20.1
244.03510	0.9
245.04428	0.7
254.02213	7.9
255.02959	17.0
256.03418	1.0
257.04425	0.7
271.02454	83.4
272.02969	5.7
283.02466	1.3
284.03159	0.9
285.03998	1.9
299.02097	1.1
300.02725	71.5
301.03433	28.2
302.03625	0.9
312.02905	0.9
343.04807	0.7
364.12292	0.8
401.25119	0.7
452.86740	0.6
488.32666	0.7
533.29077	2.3
592.25586	1.2
592.75134	2.6
593.12976	100.0
594.13367	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	593.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
59.01378	18.4
60.99295	1.1
61.98525	1.2
61.98827	14.5
63.02398	1.1
65.35925	0.8
71.01377	11.3
72.99281	2.0
73.02939	3.4
75.00861	2.6
75.44439	0.7
79.95724	0.9
83.01380	1.8
85.02945	5.2
87.00874	4.0
88.98807	10.0
89.02438	7.1
93.03445	1.4
95.01420	1.1
96.96001	15.7
97.02933	1.3
99.00864	2.1
101.02451	6.8
103.04016	0.9
107.01379	2.9
109.02953	1.5
113.02430	3.7
117.03467	4.9
119.03519	1.2
119.05003	4.4
120.99660	1.1
121.02969	1.4
123.04538	1.2
125.02452	3.9
131.03529	4.3
132.02194	1.0
135.00873	1.0
135.04497	1.4
145.02960	15.2
146.03226	0.8
149.02432	1.0
149.04539	1.9
151.00363	6.0
159.04419	1.5
161.04526	2.8
163.00345	2.1
163.03972	2.7
163.06116	2.0
164.01073	0.9
164.04805	1.0
165.01945	1.1
165.05592	0.9
169.01421	4.2
172.60344	0.8
175.00388	1.6
175.03902	1.1
183.04417	1.1
185.06117	0.8
187.04047	1.5
189.05423	1.3
190.02689	3.2
190.06360	0.8
191.05580	1.1
199.04005	1.6
205.05040	3.3
211.03976	2.5
213.05600	1.9
223.06038	1.5
227.03477	32.3
228.04059	1.4
229.05087	5.8
229.60281	0.9
239.03473	1.3
241.05055	0.9
243.02861	0.9
255.02975	55.5
256.03650	7.3
257.04504	4.6
283.02545	1.0
284.03241	77.1
285.04019	78.3
286.04288	3.9
307.08261	2.3
356.12781	1.0
371.14822	2.7
371.24521	5.3
401.25415	2.1
447.09143	4.7
533.19684	1.8
533.28595	3.2
557.13104	4.4
593.12939	100.0
593.25793	5.2
594.13281	8.5
597.10748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91055	0.4
51.35885	0.4
53.60099	0.5
54.17041	0.4
55.01873	0.6
57.03438	0.6
59.01373	5.8
61.98832	2.7
65.00320	0.9
67.01896	1.3
69.03476	0.5
71.01378	3.4
71.59698	0.6
71.60091	0.6
72.99324	1.4
73.02965	1.2
75.00861	1.1
79.95739	2.3
81.03466	0.6
83.01392	1.4
85.02955	1.0
87.00893	1.3
88.98816	1.7
89.02462	1.5
89.21227	0.4
95.01366	2.6
96.96006	6.2
97.02969	0.5
99.00932	1.0
101.02439	1.6
107.01392	10.2
109.02968	2.5
111.00868	5.5
113.02451	1.6
121.02990	1.7
122.03785	0.6
123.00876	8.3
123.01730	0.5
123.04531	1.0
123.08154	0.5
124.01640	4.5
125.02436	17.6
126.02809	0.5
127.00399	2.5
135.04550	0.6
136.98824	4.1
137.02431	1.5
138.03253	0.7
139.00371	6.4
139.04004	8.0
140.01164	9.2
141.01959	0.4
147.04477	0.9
151.00343	2.7
151.04039	0.5
153.01910	3.0
153.05589	0.6
154.02708	0.5
154.99884	1.5
157.11278	0.5
161.06059	0.8
164.01047	0.5
165.01939	0.6
165.05571	1.4
166.99873	2.0
168.00636	16.9
169.01418	19.9
179.03433	0.6
179.07227	0.5
181.01378	2.4
182.02153	0.8
183.02975	21.5
184.03314	0.6
191.07135	0.9
197.04497	2.0
201.11317	1.7
227.03523	0.6
236.32286	0.4
239.05594	10.5
253.07146	0.8
255.02917	0.5
284.03210	0.8
289.07101	2.9
311.09280	0.4
311.13409	0.4
315.08914	0.5
315.12375	1.7
329.14182	0.7
345.09680	0.6
347.14859	0.5
359.11234	0.8
375.10709	0.8
441.07742	3.1
498.15244	11.6
513.17615	100.0
514.17987	8.3
588.06097	0.5
593.13300	62.1
593.21735	3.1
593.31085	5.0
594.13525	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	593.1504
Annotation	2'-Hydroxydaidzein 7,4'-di-O-glucoside
Peak:m/z	Relative Intensity
55.18631	0.3
55.54101	0.3
59.01379	11.7
61.98837	1.5
69.26436	0.7
69.26833	2.9
69.97217	0.3
71.01379	6.3
72.99308	0.8
83.01425	0.5
85.02945	1.8
87.00872	0.4
89.02441	3.7
93.03429	0.5
96.96027	1.4
101.02457	2.9
113.02447	1.2
116.35227	0.3
116.74702	0.3
117.03448	9.2
119.03503	0.9
120.45288	0.4
121.89188	0.3
125.02484	0.8
130.64319	0.3
131.01424	2.1
132.04568	0.4
132.89616	0.4
137.02440	0.5
145.02917	0.7
161.02444	1.0
161.04556	0.3
163.00302	0.4
163.04019	1.0
173.02409	4.7
175.00362	8.4
179.07053	0.4
191.05647	0.4
193.06587	0.6
201.78067	0.3
237.05528	0.6
239.07237	0.4
249.05611	0.7
251.03377	0.4
265.04993	0.6
269.04477	1.1
281.04492	1.6
282.05286	0.6
283.06116	2.9
293.04535	100.0
294.04855	5.2
295.05865	0.4
299.01758	0.5
311.05569	5.6
314.04346	0.8
323.05554	1.2
335.05453	1.1
341.06534	0.7
345.10825	1.4
353.06439	0.4
408.51071	0.4
413.08734	59.3
414.09100	4.6
473.10941	2.4
531.19592	0.4
540.33759	0.5
549.16736	0.4
593.14972	30.8
594.15338	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	593.1507
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
51.06174	0.7
51.73751	0.6
54.83965	0.6
59.01384	3.2
61.98801	1.0
70.20232	1.2
70.20579	1.9
71.01374	1.7
72.99298	0.9
75.00868	1.9
89.02446	1.8
93.03477	1.0
93.73010	0.6
96.95988	3.2
101.02443	1.1
111.41490	0.6
113.02460	0.9
117.03483	4.3
119.05042	1.3
121.02869	0.8
121.50520	0.6
123.04516	0.7
125.02428	1.6
132.42676	0.7
135.04538	2.5
149.02412	1.4
149.04500	0.7
151.04080	0.7
157.91103	0.7
159.04543	0.8
161.02432	2.1
161.06053	0.9
163.04004	1.5
175.03981	1.9
177.01984	0.7
177.05594	1.8
179.03362	0.9
185.06010	0.8
189.01947	0.8
191.03477	1.2
203.03476	1.5
205.04984	1.0
267.64758	0.7
268.07303	1.0
282.05286	2.2
283.06070	1.9
285.12506	1.1
295.06137	3.6
296.06937	2.5
297.07657	17.1
297.10986	1.0
298.08124	0.9
305.10687	2.6
307.06158	1.8
309.07687	3.0
311.05597	2.6
323.05521	2.7
324.06091	0.9
325.07138	7.9
328.05911	3.1
335.05539	2.0
337.07147	2.4
351.04929	1.7
353.06635	41.7
354.07010	2.1
355.08246	1.2
356.05298	1.2
365.06476	4.4
383.07681	24.0
384.07993	2.1
389.16116	0.8
395.07797	2.0
413.08615	1.8
425.09259	0.8
468.02432	0.7
473.10770	9.7
503.11697	3.0
533.26154	0.9
575.13373	1.1
593.15063	100.0
594.15479	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	593.1508
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.29811	0.2
57.03446	0.4
59.01369	0.9
63.02392	0.7
65.00330	0.6
69.48290	2.2
73.02905	0.3
75.00864	0.6
76.88137	0.2
79.95721	0.4
83.01400	0.9
83.80137	0.2
85.02953	0.4
87.00880	0.9
89.02470	0.3
91.01913	0.4
92.34367	0.3
93.03470	1.3
96.95999	0.6
98.19855	0.3
101.02455	0.4
107.01379	2.2
108.27672	0.3
109.02953	0.4
109.16336	0.3
113.02502	0.2
117.03398	0.3
119.01395	0.4
124.80537	0.2
125.02453	0.5
131.04938	0.3
131.70667	0.3
132.02177	1.0
135.00856	1.6
137.02441	0.5
143.05038	0.9
143.87004	0.3
145.03001	0.4
151.00374	2.5
153.01944	0.3
154.04250	0.3
157.06609	0.6
159.04483	0.8
161.02477	0.4
163.00363	2.9
164.01094	0.4
165.01949	0.4
167.04988	0.9
169.01396	0.5
169.06573	0.8
171.04489	0.8
174.03111	0.4
178.99849	0.3
182.03542	0.3
183.04488	0.7
184.05266	0.3
185.02390	0.4
185.06067	2.4
187.03978	3.0
189.05632	1.3
189.07159	0.3
195.04495	0.8
196.12126	0.3
197.06073	0.8
199.03993	1.4
201.05568	0.7
211.03986	3.1
212.04623	0.4
213.05521	2.1
223.04008	0.6
227.03482	34.1
228.03854	1.9
229.05026	10.8
230.05208	0.3
239.03496	1.6
240.04245	1.0
241.05040	1.8
243.02925	0.4
243.96765	0.8
244.46881	0.3
255.02972	55.7
256.03564	6.2
257.04523	6.6
258.04880	0.4
267.03006	1.1
271.02319	0.6
283.02499	0.5
284.03241	64.0
285.04013	83.9
286.04373	4.3
298.04654	0.3
300.02753	0.5
327.05081	1.1
463.08990	0.6
533.26257	0.9
593.15057	100.0
594.15375	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	593.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.9
58.02959	1.6
59.01108	0.9
59.01376	11.3
61.98798	1.1
67.01884	1.5
68.99788	2.0
69.03431	1.7
71.01381	15.1
71.59705	0.8
71.60101	1.1
72.99313	4.5
73.02927	1.3
74.02450	2.3
75.00471	0.8
75.00864	13.0
81.03436	1.3
83.01350	2.8
85.02949	14.0
86.02473	0.9
87.00871	5.5
87.37682	0.7
89.02435	3.9
93.03442	1.5
95.01379	4.4
96.46064	0.8
96.96016	4.9
97.02943	1.2
99.00880	11.9
99.05612	2.9
101.02390	1.7
103.00343	2.1
107.01384	1.7
108.98978	0.6
109.02944	2.1
111.00848	2.2
111.04508	0.8
113.01711	1.1
113.02441	15.3
115.00315	2.0
115.11566	0.7
117.01904	2.2
118.00730	0.6
121.02945	13.6
123.00867	7.1
123.04497	1.7
124.01578	0.7
125.02445	11.9
127.00373	1.0
128.03526	8.9
129.01927	1.9
137.02425	4.1
138.03224	8.0
139.00333	2.4
139.04013	4.2
141.00137	2.5
141.01939	1.0
141.06683	0.9
143.03558	0.9
143.04611	12.8
146.04526	0.7
149.02385	1.3
149.04501	0.7
151.03928	1.0
153.01933	1.0
153.05563	16.3
157.01381	1.3
161.02435	2.5
165.01912	1.5
166.09866	0.9
166.99828	2.4
169.01433	1.3
175.02432	1.1
177.01920	0.8
179.03249	1.3
179.04636	1.7
181.01375	1.4
182.02185	11.2
183.01157	3.8
183.02919	7.7
197.04539	53.6
198.04865	2.2
201.05504	0.8
203.03471	1.1
210.08783	1.9
216.26872	0.7
231.05011	1.9
241.03561	0.9
243.06467	0.8
249.06126	30.0
254.07817	3.9
256.05774	2.3
257.06644	2.5
264.82907	0.7
267.07132	6.5
271.08185	3.6
272.08856	28.4
297.07819	1.0
300.99872	1.3
321.04376	13.3
369.05994	1.5
383.07608	1.8
385.11459	1.2
387.09235	1.5
429.10312	12.7
447.11398	100.0
448.11722	6.0
456.10706	2.5
489.12762	1.3
557.15027	1.3
593.17114	45.8
594.16254	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	593.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
60.99300	16.7
61.98812	0.6
67.32668	0.3
69.37090	2.0
69.37492	0.9
71.01382	2.6
72.99303	0.5
73.02927	0.8
75.00873	0.4
83.01372	0.5
85.02938	1.0
87.00880	0.7
88.00424	1.0
88.98800	100.0
89.02440	7.2
89.99149	0.3
95.01346	0.3
96.96014	1.8
99.00875	0.5
101.02452	1.7
109.02958	0.4
113.02444	1.4
117.83217	0.3
119.03481	0.5
125.02416	1.0
133.99782	0.4
169.01401	0.4
172.17894	0.3
175.63309	0.3
181.12387	0.4
220.54427	0.3
285.03976	0.4
291.17303	0.4
317.98416	0.4
441.08002	0.6
503.24771	0.8
533.26532	0.6
574.26416	2.7
574.76294	4.3
575.26807	1.9
593.14557	0.7
593.31519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38720	0.3
58.54382	0.3
59.01368	2.2
59.46582	0.4
60.40868	0.3
60.99002	0.7
60.99304	13.4
61.98826	0.5
65.74283	0.3
69.34899	3.1
71.01380	2.2
73.02934	0.8
75.00870	0.4
85.02953	1.1
87.00876	1.1
88.98801	100.0
89.02441	6.7
89.80544	0.3
89.99187	0.4
96.96011	2.7
98.19940	0.8
99.00872	0.6
101.02438	1.1
109.53696	0.4
113.02437	1.3
121.16926	0.4
123.00865	0.4
125.02451	0.8
137.02516	0.4
151.00363	0.5
155.10791	0.7
169.01326	0.6
201.63945	0.4
227.03549	0.4
248.48795	0.4
271.02524	0.4
284.03311	0.7
285.03961	0.9
290.85477	0.4
402.43085	0.4
445.20682	0.6
457.00876	0.4
501.17133	0.4
503.24948	0.8
533.26056	0.5
574.26471	1.4
574.76520	1.9
575.27374	0.7
593.14307	0.7
593.22699	1.1
593.31152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98816	1.3
62.26971	0.4
71.09676	0.4
78.95899	58.8
89.65981	0.4
96.96960	10.4
103.13116	0.4
116.65138	0.4
121.02953	0.8
150.98026	1.1
152.99576	84.5
153.99937	0.7
171.00609	2.2
209.11800	0.7
223.00095	10.4
241.01170	23.5
259.02209	1.7
277.21695	46.6
278.22018	2.7
315.04849	13.7
333.05865	1.0
593.27264	100.0
594.27722	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	594.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.5
58.02971	5.3
61.98829	3.0
70.91409	2.3
71.01400	1.0
74.02476	10.5
82.02934	1.3
86.02481	3.6
87.05630	1.7
96.95951	1.8
97.04076	1.9
99.05653	9.3
101.07199	1.4
102.05576	1.3
109.02957	1.5
121.02982	2.5
125.02437	27.4
128.02580	1.6
128.03537	31.7
128.04448	2.4
133.02951	1.3
135.05612	2.0
135.46747	1.2
137.02457	5.7
137.07141	1.6
139.99367	1.6
141.00163	9.9
141.06683	1.3
143.04613	41.8
145.06197	1.5
146.04596	2.3
149.02394	6.2
153.00156	2.7
161.02440	6.8
164.01155	3.0
165.01910	4.2
167.03362	1.2
167.04611	1.2
173.06015	1.6
175.03889	1.6
179.04695	6.9
181.06126	1.3
183.01201	10.5
200.04805	2.2
201.05574	2.4
210.08781	6.0
237.02145	1.4
243.06583	2.7
254.07826	15.4
272.08853	100.0
273.09122	3.2
277.05392	3.0
283.06961	1.2
287.05524	1.5
299.99359	1.3
321.04343	38.3
322.04758	2.2
325.67755	1.3
328.98843	1.2
331.99411	1.2
437.63528	1.0
452.54590	1.1
456.10928	10.3
480.05524	2.2
535.24518	1.5
594.13940	14.5
595.13849	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	594.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
58.02956	0.8
61.98815	0.9
62.85745	0.4
69.03443	1.1
69.49342	3.4
74.02466	3.1
79.82045	0.5
81.03470	2.1
83.01373	2.6
84.61887	0.5
86.02463	1.6
87.05644	0.6
93.03421	0.8
95.05015	1.5
96.96005	1.1
97.02945	2.3
99.04497	2.5
99.05621	1.8
109.02948	1.4
110.85284	0.4
111.05604	0.5
112.04082	0.6
117.03468	0.5
121.02963	1.6
123.04529	1.1
125.00678	2.8
125.02441	23.5
126.02724	0.7
128.03532	9.8
137.02435	20.8
138.98599	1.0
139.03986	3.2
139.99380	1.0
141.00156	11.7
143.04608	12.3
144.04993	0.5
146.04556	0.8
149.02441	7.1
152.62433	0.5
153.00145	7.4
154.00854	0.7
155.01694	1.9
159.04443	0.6
160.01636	0.8
161.02423	3.5
164.01141	3.2
165.00150	17.1
165.01843	1.9
167.01874	0.8
167.03473	11.7
175.03886	0.6
177.00146	1.0
179.03403	4.9
179.04506	0.7
179.98871	2.0
180.99641	10.2
181.01234	0.8
183.01192	15.0
185.05777	0.6
187.35550	0.5
191.01776	0.8
192.99716	0.7
193.03207	1.3
195.01195	0.9
197.05997	0.6
200.04842	0.6
201.05495	1.4
201.40997	0.5
201.63446	0.4
204.80138	0.4
209.84291	0.4
210.08821	1.7
219.01176	1.0
225.05562	0.8
235.04309	1.4
237.02231	0.5
241.05115	0.6
243.06529	2.2
253.05370	0.7
254.07834	4.5
261.02209	0.7
269.04529	1.5
272.08856	28.9
273.09198	0.8
277.05399	2.8
279.03271	0.9
283.64481	0.5
287.05573	0.9
303.03299	4.2
306.07687	1.3
321.04349	100.0
322.04694	5.6
345.09875	0.6
371.07715	1.8
389.08594	0.7
456.10748	0.8
594.13849	2.4
595.13544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.25262	3.4
69.25687	5.1
78.10403	0.9
88.16965	0.7
116.05866	0.8
134.43271	0.9
139.69998	0.9
161.03268	1.0
179.62843	1.0
258.08746	1.0
338.80045	0.8
394.69043	0.9
443.31085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
61.98829	31.1
61.99153	1.6
71.01379	2.5
71.61435	1.4
73.02940	1.0
75.00874	2.5
78.95925	0.7
79.95737	0.9
81.37424	0.8
83.05048	0.6
84.21109	0.7
85.02946	1.5
87.00877	0.8
88.98791	1.8
89.02438	1.8
91.05534	1.0
91.94617	0.6
96.96024	4.6
98.12251	0.6
99.00864	1.5
101.02448	2.2
108.04552	0.9
113.02445	1.3
119.04931	1.0
125.02437	1.1
135.04503	1.6
137.02435	1.3
145.02962	0.7
150.05539	1.0
151.00340	1.3
161.09637	0.7
165.01839	0.7
179.10741	1.6
193.12389	0.9
200.00912	0.8
209.11819	0.7
239.48836	0.7
241.10075	0.6
242.99384	1.9
244.00203	0.8
270.98816	21.0
271.99271	1.3
297.97491	1.4
298.98325	19.3
299.99081	100.0
300.99588	5.0
312.99796	1.2
314.00690	11.8
315.01437	79.2
316.01599	3.4
444.03259	1.2
459.05838	3.2
477.06641	9.7
559.28040	0.8
595.10895	71.8
596.11133	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	595.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
60.99302	3.0
61.98827	1.0
68.03137	0.4
69.50129	1.8
69.50547	1.0
71.01388	1.0
73.02939	0.3
75.00860	0.7
79.95755	1.5
82.95394	0.6
88.98801	19.0
89.02447	1.7
95.95242	0.6
96.96005	72.6
101.02422	0.6
113.02476	0.9
125.02425	0.5
131.99864	0.4
158.88992	0.5
166.18584	0.4
167.28564	0.4
196.15762	0.3
291.12698	100.0
292.12964	4.4
345.21695	0.4
360.15454	0.6
361.15482	0.5
535.31171	0.6
584.89941	0.4
595.16541	1.3
595.29340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19168	0.4
53.50731	0.3
54.75427	0.4
57.03446	0.7
59.01374	5.6
60.99302	15.6
61.98833	3.0
69.66351	2.7
71.01379	3.4
72.99307	0.8
73.02950	1.0
73.97228	0.4
75.00866	2.0
79.95715	2.1
83.01383	0.6
85.02942	2.9
87.00892	2.1
87.04521	0.6
88.00407	1.3
88.98801	100.0
89.02438	14.1
89.02998	0.7
89.99100	0.8
93.03455	0.8
95.01382	0.8
96.96014	1.6
99.00864	1.1
101.02441	1.5
111.00863	0.5
113.02427	2.8
117.01989	0.4
120.99659	3.2
125.02419	0.8
128.78085	0.4
135.04576	0.5
149.04509	0.5
161.04556	0.5
175.02451	0.5
179.10727	0.7
181.05093	0.6
196.47874	0.7
233.13890	0.5
241.05040	0.8
243.96785	1.9
249.06203	2.8
267.07156	3.6
300.02768	0.5
312.99976	0.7
315.08792	0.7
327.08600	0.9
328.01920	0.5
361.16486	1.0
391.17719	1.4
429.17221	0.9
433.14841	0.7
459.11862	0.6
473.16614	7.4
474.17365	0.8
535.26978	0.5
562.09619	0.5
565.15430	1.4
577.14722	2.1
577.23059	1.1
595.16266	5.8
595.31165	1.0
596.16010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99274	0.3
57.03413	0.3
59.01378	3.2
60.99305	13.8
61.98824	6.5
69.30236	2.3
71.01393	1.6
72.99306	1.2
73.02966	0.6
75.00854	1.7
79.95753	0.5
81.05887	0.3
83.01396	0.4
83.83990	0.3
85.02939	1.0
87.00880	0.6
88.00425	0.6
88.98802	100.0
89.02438	5.2
89.90756	0.3
89.99141	0.7
96.96011	3.2
97.02959	0.3
99.00858	0.4
101.02443	1.2
113.02438	1.1
119.03513	0.4
120.99622	0.4
121.03005	0.3
123.04501	0.3
125.02441	0.7
137.02525	0.4
139.04015	0.5
151.03935	0.4
233.44182	0.3
237.36150	0.4
250.49065	0.3
260.13889	0.3
283.98367	0.3
373.25937	0.9
392.89706	0.3
397.18658	0.5
505.26840	0.8
521.88373	0.4
535.27521	0.6
595.25848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85960	0.3
57.03418	0.8
59.01376	6.8
60.99006	0.8
60.99302	14.0
61.98837	3.2
69.03455	0.6
69.46980	0.5
69.47383	2.8
71.01374	5.0
72.99319	0.9
73.02944	1.1
75.00867	3.2
79.95739	1.5
85.02958	3.5
87.00884	2.5
87.04526	0.6
88.00390	1.6
88.98802	100.0
89.02442	15.0
89.99161	0.6
93.03468	0.8
95.01405	1.0
96.96021	1.5
98.20671	0.7
99.00867	1.5
101.02417	1.4
103.00388	0.4
113.02441	4.0
120.82330	0.4
120.99662	3.4
129.02005	0.5
135.04587	0.5
139.00386	0.4
149.98676	0.4
153.01950	0.5
161.04625	0.5
179.10788	0.6
191.05664	0.7
194.05702	0.4
196.47780	0.9
196.97961	0.5
203.12837	0.5
203.98875	0.6
209.04608	0.5
233.14087	0.6
241.05148	0.8
243.96811	2.7
244.46948	0.8
249.06117	5.0
253.04950	0.4
256.07312	0.6
267.07205	4.1
268.07318	0.7
269.04367	0.4
270.40472	0.4
301.03577	0.5
304.33856	0.5
311.08914	0.5
313.00003	1.0
313.07321	0.6
315.08762	0.7
327.08746	1.5
345.22775	0.5
361.16229	0.9
373.16592	0.6
375.71280	0.4
391.17517	1.0
429.17133	0.8
459.11871	0.7
473.16559	8.6
474.17154	1.0
491.19302	0.5
503.19370	0.7
532.78107	0.5
565.15558	2.7
577.15369	3.2
577.23224	1.3
595.16449	9.0
595.31360	0.9
596.17371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	2.2
59.01378	23.8
61.98809	3.1
64.05565	1.3
69.28271	13.2
71.01376	28.8
72.99272	1.2
73.02943	10.0
75.00864	1.5
81.03462	2.8
83.01385	5.9
85.02967	7.5
87.00878	4.1
87.04517	2.0
89.02434	30.1
93.03459	7.1
93.03954	1.5
95.01386	3.7
96.96003	5.0
97.02943	4.7
98.20641	3.0
99.00871	14.8
101.02444	18.6
107.01399	7.0
107.05038	1.6
109.02909	3.5
111.00875	2.8
111.04504	2.4
113.02425	7.0
115.04032	2.0
116.92924	1.3
117.03464	1.2
119.05027	37.9
120.05382	1.6
121.02943	4.7
121.66135	1.3
123.00877	2.8
123.04531	3.7
125.02444	13.2
131.03513	4.6
133.03024	1.6
135.04503	2.1
137.02435	4.3
138.06871	1.6
139.04010	6.3
143.03485	1.9
143.04980	5.4
143.47896	1.3
145.02914	6.2
147.04474	2.1
149.02409	4.9
149.04564	9.4
151.00360	5.4
151.03966	2.7
153.09196	3.2
155.03679	1.4
158.12608	1.3
159.04626	1.8
159.06650	1.8
159.07901	1.3
161.02417	2.1
161.04536	6.4
161.05911	2.4
163.00323	3.7
163.04027	4.2
164.01108	2.2
165.01909	5.7
167.03484	9.9
167.10664	1.3
173.02463	1.6
175.04005	3.2
177.01915	6.0
178.02597	2.3
179.03491	2.5
181.04993	1.8
185.06161	1.4
187.03943	7.9
188.04156	1.4
189.01930	1.6
190.02696	2.6
191.03651	6.4
191.05368	6.3
193.01448	11.2
195.31906	1.2
197.04459	3.4
199.07629	2.4
201.01830	2.3
203.03540	2.7
205.01472	9.4
205.05157	1.4
206.02087	1.7
207.03012	3.6
209.04485	3.7
217.01372	2.4
218.02101	1.4
219.03000	4.4
221.04359	2.2
223.02499	1.7
227.07129	1.7
228.00597	1.6
229.01367	1.6
231.02980	1.6
233.04434	1.7
233.06650	3.6
235.02472	14.5
239.05385	1.9
245.00880	4.7
245.08191	1.7
247.02431	2.7
248.03140	2.3
249.04045	3.2
249.09712	3.7
265.03482	3.7
270.99002	6.2
271.02249	1.4
271.06070	5.8
273.00406	6.1
274.01123	10.8
275.01941	5.6
281.08304	2.4
283.06094	3.0
283.09991	1.7
298.98343	6.0
299.01672	1.7
299.98978	7.5
300.99918	14.9
301.06903	2.1
302.00198	2.2
309.07693	1.5
311.09637	1.5
313.07141	20.2
325.07184	7.9
327.08762	3.0
343.08273	7.9
345.09790	2.6
353.06641	2.1
355.08194	81.6
356.08649	8.4
367.08200	6.3
371.07642	6.3
381.13901	13.8
385.09259	61.3
386.09457	3.3
389.08694	2.3
397.05139	9.3
397.10010	2.6
415.10794	15.9
457.11340	7.6
475.12442	37.0
476.12613	4.4
480.05457	23.5
481.05780	2.7
487.12448	5.5
505.13275	8.5
508.23547	1.5
535.23914	91.2
536.24347	6.7
551.13861	2.3
577.11633	9.7
578.12939	1.7
595.16504	100.0
596.16901	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	595.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42245	0.3
56.33407	0.3
56.38984	0.3
57.37945	0.3
59.01382	4.0
60.99303	13.2
61.98527	0.7
61.98830	8.8
69.67193	2.2
71.01375	2.9
72.99284	0.6
73.02949	0.8
75.00864	1.6
85.02960	1.0
86.16547	0.4
87.00876	1.1
88.00390	1.0
88.98803	100.0
89.02447	6.9
89.99116	0.6
93.03441	1.3
95.01421	0.5
96.96008	4.3
97.02954	0.4
98.95610	0.5
99.00883	0.8
99.39010	0.3
101.02438	1.8
113.02445	1.0
116.92887	0.5
123.04472	0.4
125.02393	0.4
135.04509	0.4
137.02440	2.0
145.02953	0.4
155.67384	0.3
161.04521	0.8
169.01384	0.4
171.10155	0.4
179.10829	0.6
200.01100	0.6
209.08005	0.4
212.01035	0.3
213.01872	0.6
226.99867	0.7
227.03429	0.4
229.01282	0.6
237.09731	1.0
240.00606	0.6
254.99373	0.6
282.98877	1.2
283.99448	1.6
285.00372	3.3
285.03958	1.2
286.04367	0.9
287.04617	0.5
291.72272	0.4
310.98456	0.5
311.99100	4.2
312.99878	23.0
314.00247	1.6
329.23245	0.5
375.27408	1.6
429.13901	0.4
435.85776	0.4
475.05048	1.5
505.26541	0.7
535.26263	0.6
595.07245	11.6
595.24524	1.2
596.07733	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	595.2881
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.75978	1.6
56.10598	1.6
59.20080	1.5
59.23289	1.5
61.98817	6.6
66.12198	1.5
68.13348	1.7
71.59873	2.7
77.71184	1.7
78.95897	52.0
81.68886	1.6
88.83696	1.5
96.96021	2.3
96.96993	9.2
96.97507	1.7
151.35283	1.7
152.99568	86.2
171.00610	3.6
204.33340	1.5
209.11850	2.7
223.00069	7.3
241.01183	20.9
265.07162	1.8
279.23270	59.1
279.26334	3.0
280.23560	3.2
286.38535	1.7
315.04688	11.8
337.63290	1.6
362.20578	1.8
387.67722	1.5
414.57422	1.8
469.33255	2.8
474.86795	1.8
489.71060	1.7
574.54443	1.6
595.20483	9.9
595.28802	100.0
596.20398	3.1
596.28882	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	597.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65468	0.8
56.27363	0.8
59.01376	13.4
61.98828	28.3
69.03422	1.1
70.88605	1.8
71.01378	7.4
72.99290	1.9
73.02934	2.8
73.11844	0.7
75.00874	2.0
75.96262	0.9
79.75154	0.8
83.01350	1.7
85.02933	2.8
87.00834	1.8
88.98785	3.1
89.02414	2.4
90.13104	0.8
90.98576	2.4
93.03463	4.9
95.94753	0.9
96.96013	11.7
99.00832	1.1
101.02428	3.0
109.02940	2.0
111.46164	0.8
113.02405	3.4
116.88737	0.8
117.03421	2.4
119.04965	1.4
119.52907	0.9
120.99592	1.1
123.04511	1.6
125.02386	1.7
135.04416	0.9
137.02441	7.9
141.85233	1.0
145.02950	6.3
147.04501	2.0
151.00334	2.9
153.01862	1.4
160.01610	1.0
161.02321	1.4
161.04579	0.9
163.03893	1.6
169.01326	1.2
178.99834	1.2
189.01927	1.5
195.04768	3.1
216.00578	1.2
217.01440	1.0
227.03423	3.7
229.04976	1.4
242.99284	1.9
243.99875	1.7
255.03015	8.2
270.98816	23.4
271.99249	1.1
284.00058	1.2
284.03210	7.8
285.01053	1.4
285.03918	7.1
288.13687	0.9
298.98331	24.5
299.99100	100.0
300.99402	6.0
301.03351	2.2
312.99677	2.4
314.00659	14.2
315.01440	84.5
316.01639	3.1
341.06433	2.3
375.27304	1.7
435.10748	2.7
444.03494	1.2
445.04163	1.0
459.05408	3.2
465.07983	1.0
477.06772	9.1
537.33075	1.5
570.84833	1.1
597.08667	84.6
598.08783	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	597.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
61.98831	2.9
69.95231	0.5
71.01378	3.4
71.59887	0.8
73.02971	0.8
75.00910	2.1
83.01427	0.8
85.02950	1.4
87.00908	0.6
89.02470	1.3
93.03442	4.2
95.05034	0.8
96.96004	2.9
99.00895	0.9
101.02473	1.0
102.13097	0.6
109.02943	10.4
113.02483	1.4
114.20222	0.6
117.03512	1.8
119.05047	1.6
121.03004	0.9
122.03783	0.9
123.04525	10.1
123.05352	0.7
125.02487	1.7
133.03003	1.9
137.02437	1.1
145.02954	6.7
146.07388	0.6
147.04536	2.8
149.02466	1.3
150.03265	1.5
151.04008	6.0
153.01881	1.0
159.04555	1.5
161.02443	1.4
162.03203	0.8
163.00343	0.6
163.04010	1.6
163.06657	0.5
167.49355	0.5
175.04001	1.0
176.01213	1.7
176.59932	0.6
177.01923	21.2
187.03987	1.7
189.01918	41.5
190.02710	10.5
191.03473	9.4
203.03526	3.5
203.07285	0.6
205.05006	0.7
213.44595	0.6
216.00606	8.4
217.01390	38.8
218.02190	2.9
219.02948	13.3
231.02962	11.4
232.03523	1.0
233.04689	1.3
241.05086	1.6
255.03163	0.6
256.60815	0.6
269.04379	0.9
271.06146	3.4
281.04526	1.4
283.06067	3.5
285.04022	1.5
289.07169	3.7
297.07678	2.3
300.02963	1.1
305.04578	0.7
311.05637	5.1
323.05411	2.8
341.06631	82.6
342.06973	6.2
397.24503	0.6
435.10800	100.0
436.11069	7.7
503.11896	7.8
575.26489	1.2
596.26904	1.4
596.77423	2.0
597.16003	20.2
597.25421	0.7
598.16321	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	597.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26307	0.6
59.01377	6.6
61.98833	3.1
63.82857	0.5
64.13740	0.5
69.56401	1.9
69.56811	1.6
71.01385	4.0
72.99290	0.8
73.02970	1.1
75.00866	2.1
75.01286	0.7
83.01377	1.2
85.02948	1.7
87.00871	1.1
89.02469	2.1
93.03465	4.3
95.01374	0.6
95.05005	0.7
96.96012	5.9
98.19879	1.0
99.00889	1.0
101.02446	2.5
109.02941	11.3
113.02470	2.9
117.03465	2.1
119.05033	1.8
121.02934	0.9
122.03754	0.7
123.04521	11.6
125.02460	1.5
133.02934	1.7
135.00862	1.0
135.04564	0.8
137.02440	0.7
143.07097	0.6
145.02940	8.5
147.04507	2.4
149.02457	1.2
150.03157	1.3
151.00377	1.0
151.03999	6.5
153.01933	0.6
159.04466	1.2
161.02441	1.8
162.03224	0.8
163.03993	1.0
175.03993	0.9
176.01114	0.7
177.01907	20.3
178.99844	0.6
187.03964	1.7
189.01917	42.4
190.02661	9.6
191.03481	9.2
194.71724	0.6
203.03499	4.7
204.03970	0.7
205.05038	0.7
216.00624	7.9
217.01390	35.4
218.02007	2.6
219.02950	15.8
229.05183	0.7
231.02968	10.5
232.03575	1.1
233.04497	1.2
241.05096	2.1
243.03073	0.8
249.06041	0.8
255.02931	1.2
269.04596	1.0
271.02472	1.7
271.06076	2.4
281.04501	1.4
283.06079	3.1
285.04044	1.8
289.07239	3.7
297.07614	2.1
300.02765	5.1
301.00259	0.9
301.03326	2.9
305.04675	0.8
310.10599	0.6
311.05545	4.7
323.05585	3.4
325.07324	0.7
341.06622	82.5
342.07025	5.5
352.64722	0.5
417.09970	0.6
433.07404	2.8
435.10794	100.0
436.11160	7.0
447.07117	0.9
465.07977	1.2
479.52560	0.6
485.23972	0.7
503.11880	8.2
537.24493	0.7
566.25586	0.7
566.75989	0.9
575.26819	1.2
575.76642	1.6
596.26947	1.2
596.77393	2.4
597.16119	22.1
597.26617	1.8
598.16461	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05947	1.1
55.01871	1.5
55.78357	1.2
57.03451	1.6
59.01378	19.9
61.98826	5.8
67.01884	1.4
69.03461	1.2
71.01379	18.9
71.61417	1.5
72.99294	2.9
73.02948	6.9
73.03292	1.1
75.00853	1.7
76.41747	1.1
81.03465	1.1
83.01375	3.0
85.02951	3.9
87.00870	23.1
89.02438	14.4
93.03456	3.3
95.01375	2.4
96.96005	10.2
97.02950	2.9
99.00854	6.9
100.01662	3.5
101.02445	10.0
107.59824	1.1
109.02938	2.1
111.00881	12.1
112.98789	3.8
113.02436	4.6
119.03468	2.0
121.02929	5.4
122.03761	10.6
123.00879	8.1
123.04565	1.7
125.02438	2.4
129.01862	1.5
131.03519	8.1
133.02934	2.0
136.01633	2.7
137.02370	1.3
142.99809	4.3
143.04601	1.7
149.02443	16.0
149.04527	4.8
150.03217	68.9
151.00337	1.6
151.03946	6.2
153.05507	1.1
161.02411	2.6
161.04535	1.7
163.04033	3.2
164.04793	9.0
165.01942	2.2
165.05556	78.3
166.02734	5.6
166.05936	2.7
166.99480	1.1
173.00865	4.8
173.69928	1.1
174.01680	2.8
175.03979	3.0
176.04773	3.8
177.01961	1.2
177.05629	1.2
178.06485	1.3
179.03476	4.6
179.05734	1.6
179.07092	5.6
180.02849	1.0
180.04173	5.3
181.05083	7.3
191.03510	4.2
191.05565	6.1
191.07162	3.0
193.08633	2.7
194.05847	5.3
195.06602	28.3
203.03473	1.8
205.05028	4.7
206.05782	3.2
209.08260	5.6
219.02957	1.5
221.08232	5.5
231.02811	1.2
234.05392	1.8
237.07661	1.5
247.02374	3.1
247.06140	1.3
249.07668	2.9
261.03958	3.4
262.04724	7.5
263.05780	1.8
264.06351	4.5
265.07144	4.6
272.08884	2.5
273.09280	2.2
274.09167	1.3
276.06409	2.4
277.07092	9.0
289.07388	1.5
293.08411	1.2
297.11725	1.2
300.99564	1.1
302.00198	1.1
304.91464	1.2
337.09210	26.1
338.09695	2.1
345.13300	1.6
357.13370	1.6
369.13324	6.9
373.08289	1.1
375.14627	2.4
395.85339	1.1
405.21240	4.5
413.12564	2.8
417.15872	2.3
425.12286	1.3
461.14478	22.1
462.15005	2.3
473.14667	2.0
482.05798	1.9
491.15344	1.3
497.17261	1.3
521.16473	2.5
531.15363	1.7
533.16425	7.1
537.25482	31.1
538.25275	1.3
579.17218	17.7
580.17401	2.2
597.18268	100.0
598.18384	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	597.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42080	1.3
57.03426	1.5
59.01382	14.4
61.98817	4.7
63.02408	1.3
71.01382	11.4
71.58334	1.7
72.99287	2.1
73.02943	4.9
74.40324	1.3
79.61117	1.5
83.01381	2.9
85.02950	4.2
87.00868	24.1
88.98807	1.2
89.02459	7.9
93.03468	2.7
95.80502	1.2
96.96012	21.7
97.02950	4.1
98.95605	2.0
99.00892	5.2
101.02450	6.5
109.02962	1.4
111.00879	22.2
113.02431	3.4
115.00340	1.4
119.03448	1.8
121.02974	4.8
122.03736	4.9
122.06098	1.6
123.04501	2.0
124.01699	1.6
125.02415	5.2
131.03496	5.4
135.04549	2.1
137.02473	3.5
147.02985	2.0
147.04495	1.6
149.02475	16.9
149.04561	2.9
150.03214	52.0
151.03987	9.3
161.02454	3.6
164.04759	8.6
165.01851	1.6
165.05562	62.4
166.02695	3.4
166.05898	2.3
169.01427	2.6
173.05943	1.7
175.04012	2.1
176.04765	2.7
177.05591	1.6
178.06363	1.4
179.03508	5.9
179.07108	8.3
180.04305	5.7
181.05054	7.6
191.03610	1.8
191.05611	4.3
191.07172	2.5
194.05855	3.7
195.06636	20.6
203.03464	2.1
204.06604	3.9
205.05013	2.2
207.06653	1.7
209.08170	5.4
221.04680	1.7
223.06166	1.6
229.01372	1.7
249.04059	4.8
261.07632	2.5
264.06320	9.9
265.07220	6.7
275.01898	4.8
289.07120	6.3
290.07626	1.6
291.08646	2.1
293.12494	3.3
300.99802	3.8
312.06128	1.6
327.09167	3.1
327.13406	18.9
337.05792	1.7
337.08871	6.9
339.13721	2.4
345.13452	2.9
357.13699	4.0
371.07355	1.5
372.08221	2.6
373.08377	1.8
387.14529	2.0
405.15564	2.7
405.20935	2.1
413.12466	6.6
417.07306	1.9
461.14523	34.6
461.19461	1.3
462.14896	2.5
482.05853	1.9
487.16040	1.6
497.18286	1.9
505.17163	2.8
507.19971	4.0
521.16925	2.7
537.25452	13.9
553.14813	2.3
579.17780	8.2
597.18329	100.0
598.18610	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37088	0.9
57.03434	5.4
59.01379	16.7
61.98821	3.9
68.10134	0.9
68.99798	1.6
69.03429	1.3
69.22094	8.3
71.01382	5.5
72.99286	2.0
73.02939	2.1
75.00858	0.9
77.41992	0.8
79.05498	0.8
79.95719	1.0
81.03457	8.1
83.01376	6.5
85.02933	2.7
86.16576	0.9
88.98828	1.6
89.02415	2.5
93.03452	5.3
95.01406	2.5
95.05026	3.3
96.96009	25.3
97.02936	4.4
99.04488	3.3
101.02425	3.8
107.05015	1.5
109.02914	2.7
111.04469	2.2
113.02470	2.2
113.06109	1.0
119.03451	1.1
119.04362	0.9
119.05032	9.1
121.02906	2.9
121.06590	1.8
122.03751	1.4
123.00813	1.0
123.04528	13.7
125.02435	12.8
135.04514	3.9
137.02428	4.9
137.06087	5.6
139.04004	9.3
147.04506	4.2
149.02441	1.3
149.06056	1.9
150.03209	1.3
151.04005	4.1
153.01894	0.9
153.05530	1.4
161.06068	2.8
163.03973	4.1
163.07617	2.1
165.01859	1.6
165.05556	7.7
167.03467	28.2
168.03798	1.6
176.82561	0.9
177.01927	1.9
177.05527	2.6
179.03500	6.5
181.05013	3.3
181.19046	0.9
189.05557	7.5
191.03427	2.2
193.05057	4.0
195.06616	1.5
197.04523	5.4
205.04987	1.4
207.06593	2.4
209.04521	27.6
219.02969	1.2
221.04536	5.1
223.06013	1.2
229.08688	1.9
231.02771	1.1
233.04520	1.4
235.06123	1.7
239.05602	10.6
251.05559	4.4
263.05685	2.2
269.06570	2.3
273.07651	2.7
275.05710	1.3
285.07669	1.4
293.06326	1.0
315.08725	17.1
316.08865	1.4
320.42508	0.9
327.08600	6.8
329.10092	1.1
345.09650	8.1
354.07196	0.9
357.09753	100.0
358.10065	7.3
369.09683	3.5
387.10803	79.1
388.11200	6.1
394.24258	1.3
399.10703	3.7
417.11813	23.7
418.12027	2.4
429.11612	1.9
459.12808	10.9
460.13638	1.5
471.13043	1.7
477.07568	1.7
477.13956	21.4
478.14111	2.0
489.14178	6.7
507.14984	2.7
579.16840	2.3
597.22821	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	597.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82384	0.7
50.96324	0.7
53.17882	0.8
53.52114	0.7
53.91346	0.6
54.82267	0.8
57.03446	25.3
59.01375	20.0
59.01676	0.8
60.29703	0.9
61.98826	3.3
68.61459	0.7
69.03421	0.9
71.01376	7.7
71.61630	0.8
71.62010	1.3
72.99290	1.7
73.02937	4.5
75.00858	1.2
78.91895	1.4
79.95729	5.1
81.03466	1.9
83.00950	0.7
83.01376	4.6
85.02948	2.4
87.00865	0.8
88.98837	1.1
89.02421	6.2
93.03438	0.8
95.01436	1.1
95.05061	1.4
96.96004	100.0
99.00881	1.4
99.04508	9.3
101.02437	11.5
109.02938	1.4
111.04445	0.7
113.02457	2.9
119.03478	1.8
119.05016	2.2
121.02958	1.7
123.04511	5.4
125.02439	7.2
135.04523	1.9
137.02443	1.3
137.06041	1.1
139.04033	2.7
144.06541	0.8
149.02460	1.1
149.06038	0.7
150.03267	1.3
151.03979	1.0
155.03558	0.8
160.04022	1.3
161.04604	1.7
163.03967	1.0
164.04828	1.4
165.02048	0.9
165.05577	1.9
167.03513	7.6
173.04608	0.8
177.01920	1.1
177.05562	1.1
179.03546	1.8
179.05486	1.1
179.07103	1.8
189.01910	0.8
189.05597	1.3
197.04507	1.5
203.99051	0.8
209.04533	6.9
212.20303	0.7
216.31798	0.9
217.01379	1.4
221.04524	0.9
239.05550	1.8
243.96591	1.7
251.05760	1.1
267.07248	1.6
269.06866	1.0
315.08844	5.5
327.08749	1.9
341.06790	2.0
345.09824	1.7
357.09720	22.2
358.10281	1.0
369.09952	1.2
387.10861	16.3
388.11041	0.9
403.86017	0.8
417.11752	5.3
429.12109	1.3
435.10995	2.6
453.17960	2.1
459.12936	1.9
477.14059	5.4
489.13818	1.5
495.18622	1.0
507.15085	1.0
517.26404	2.9
535.22241	0.9
537.32831	2.3
597.22321	93.9
598.12927	1.7
598.22278	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	597.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03465	2.6
58.00584	1.3
58.02981	3.0
59.01376	44.4
61.98826	10.1
69.03438	1.1
71.01379	33.7
71.60112	1.3
72.99276	2.6
73.02957	6.5
74.02480	4.1
75.00878	1.5
81.03439	1.4
83.01380	4.2
85.02944	7.4
86.02492	2.0
87.00867	10.6
87.05652	1.3
88.49797	1.2
89.02441	39.3
93.03445	2.5
93.83355	1.0
95.01379	1.9
96.96005	9.5
99.00891	8.0
99.05644	4.3
100.01644	2.0
101.02441	20.2
109.02932	2.4
111.00887	8.5
112.98805	1.7
113.02434	11.0
119.03502	6.9
121.02950	7.3
122.03733	4.5
123.00883	3.3
123.04519	1.5
125.02451	14.8
126.02773	4.2
127.02905	1.3
128.03543	11.8
129.01926	1.6
129.03882	2.9
131.03491	20.6
135.04472	1.1
136.01653	1.3
137.02409	3.2
137.04329	1.0
138.02853	0.9
142.99776	3.2
143.03508	2.6
143.04585	15.9
144.04948	4.2
145.05051	1.9
145.06113	1.3
146.04626	1.5
149.02477	9.4
149.04543	13.0
149.09717	1.1
150.03215	27.6
151.00340	1.3
151.03951	5.7
153.01881	1.6
153.09215	3.8
161.02440	4.7
161.04547	4.0
162.02936	1.1
164.04793	3.3
165.01923	5.9
165.04137	2.1
165.05556	34.0
166.02678	1.6
166.05867	1.4
167.10776	3.9
173.00943	2.8
174.01640	1.8
175.04016	1.7
176.04700	1.4
177.01949	1.2
179.03360	1.7
179.05737	2.1
179.07068	2.0
180.04187	2.0
181.04997	3.7
183.01192	1.7
185.00685	2.1
185.05400	1.0
191.03651	2.3
191.05600	15.1
191.07162	1.4
193.08731	1.4
194.05844	2.3
195.06628	13.0
197.97760	1.1
201.05420	1.7
202.05902	1.4
203.03493	1.8
205.05064	1.5
206.05643	1.3
209.08162	2.5
210.08852	2.3
211.02406	1.3
221.08237	2.1
243.15927	1.9
254.07809	3.2
255.08020	2.2
262.04828	2.0
264.06390	1.6
265.07019	1.8
271.09818	1.1
272.08847	24.4
273.09180	19.7
274.09247	6.4
275.01471	1.8
275.09619	2.9
277.07153	3.8
289.07169	3.4
300.99704	1.7
301.10907	1.6
311.09781	1.2
321.04327	1.8
321.09805	1.3
322.04709	2.8
323.04135	5.9
324.04547	6.9
337.09335	8.9
345.13174	1.9
357.13492	1.5
369.13367	3.3
375.14331	2.0
387.14639	1.7
405.15796	2.1
405.21118	14.9
413.12433	1.6
431.37463	1.4
435.16473	2.2
459.10864	1.5
461.14395	8.6
482.05661	2.7
497.17889	2.2
513.62518	1.3
519.24670	1.6
521.16479	1.6
533.16675	4.1
537.25470	100.0
538.25751	8.2
548.01184	1.2
579.17627	7.0
597.18701	37.7
598.18518	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	597.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52777	0.3
57.03430	0.5
58.02975	0.4
59.01096	0.5
59.01376	5.3
60.94481	0.4
61.98824	18.5
69.03408	0.5
71.01379	4.4
71.59579	0.5
73.02930	0.9
75.00862	2.8
79.95724	0.6
81.03448	9.1
83.01392	0.4
83.05019	32.6
85.02965	2.0
87.00855	0.8
89.02438	1.7
93.03465	0.4
94.52367	0.4
96.96001	4.3
99.00864	0.7
100.07678	4.7
101.02410	2.5
102.98553	0.5
109.02971	0.9
113.02451	1.6
119.03481	0.4
119.04977	0.4
120.99628	0.5
123.04489	1.2
125.02502	0.7
126.05556	0.8
137.02446	0.8
145.02963	0.6
149.02415	0.4
151.03978	0.6
161.02406	0.6
161.04465	0.7
163.03955	0.6
165.05586	0.4
169.01474	0.5
177.01910	1.4
179.05505	0.4
189.01900	2.9
190.02609	0.8
191.03464	0.8
199.18140	5.9
203.03471	0.7
207.15108	0.6
216.00726	0.6
216.56410	0.3
217.01340	2.6
217.14371	0.7
219.03018	0.5
225.16035	7.8
225.18095	0.7
231.16010	1.0
243.17107	17.2
244.17503	0.8
269.14999	1.0
271.06213	0.5
289.07193	0.6
305.16028	1.3
309.21854	0.9
315.01382	0.6
335.19843	0.6
341.06610	5.7
341.28918	0.6
349.18677	0.9
353.20724	5.9
354.21094	0.5
375.27423	0.7
381.06131	0.5
425.34714	0.4
435.10809	6.5
436.11295	0.8
451.33054	2.3
469.33868	13.1
470.33963	0.9
519.31653	0.8
535.17194	0.5
537.25409	0.5
537.32837	6.6
538.33081	0.9
579.37720	3.0
597.38647	100.0
598.23602	0.6
598.38928	10.4
629.85339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	0.1
59.01367	0.8
59.78610	0.2
61.98825	100.0
71.01385	0.6
71.60168	0.2
73.02946	0.2
79.95721	0.2
84.89223	0.1
85.02933	0.2
89.02449	0.5
96.96008	0.8
99.00874	0.3
101.02426	0.2
113.02426	0.2
121.02988	0.3
123.36677	0.2
125.02419	0.4
129.50204	0.2
136.40311	0.2
137.02534	0.2
144.33188	0.1
151.04079	0.2
181.05098	0.2
191.05612	0.2
308.07208	0.2
343.11304	0.2
531.22064	0.2
535.38739	0.2
538.25348	0.7
539.26501	0.2
598.16187	0.3
598.24268	0.4
599.17981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	3.5
61.98827	2.4
63.02394	0.4
65.00301	0.4
67.01889	0.9
69.03442	0.8
69.34776	3.8
71.01384	5.0
72.09471	0.4
72.99320	0.6
72.99755	0.4
73.02950	1.0
79.01891	0.8
81.03441	0.7
83.01381	1.2
85.02943	1.7
87.00873	0.8
89.02432	1.2
93.03463	0.7
95.01378	1.9
96.96011	1.6
97.02945	1.0
98.19807	0.6
99.00919	0.4
101.02427	2.7
107.01373	7.2
111.00848	0.6
113.02438	2.5
116.11413	0.5
117.03487	0.5
123.00874	7.4
123.04543	0.5
124.01665	0.8
125.02438	49.3
126.02821	0.6
136.98843	0.5
137.02394	0.9
139.00349	2.6
140.01167	1.5
141.01987	0.8
145.02904	0.6
151.00356	8.6
153.01906	0.5
163.00334	0.5
168.00668	2.2
169.01407	67.5
170.01787	1.6
178.39636	0.5
178.99939	0.5
179.03426	0.6
182.00412	0.9
185.06166	0.6
187.04015	0.5
187.07561	0.4
211.02438	2.0
227.03497	6.1
229.05000	1.7
241.03355	2.7
249.06113	0.7
253.03496	1.1
255.02956	14.9
256.03610	2.1
257.04507	1.3
284.03226	21.3
285.03967	16.7
286.04242	1.2
313.05621	17.3
314.05951	0.5
349.03876	1.0
406.24011	0.5
447.09189	3.0
501.04947	0.6
539.33997	0.9
599.10364	100.0
600.10608	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	599.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
61.98824	2.5
65.00327	1.1
68.64660	0.4
69.03472	0.5
69.51989	2.0
69.52406	0.8
71.01373	3.3
79.01891	0.6
79.95737	0.7
82.13451	0.3
83.01372	1.0
85.02943	0.7
89.02457	0.5
93.03464	0.4
95.01403	0.9
96.96007	6.1
97.02972	0.5
98.20668	0.6
101.02444	1.1
107.01396	5.3
109.02943	4.3
111.00901	0.6
113.02467	0.7
121.02953	1.3
123.00865	2.7
123.04451	0.4
124.45580	0.4
125.02437	19.5
135.00887	0.8
139.00333	1.3
140.01135	0.6
148.01685	0.6
148.30165	0.5
149.02429	0.4
151.00357	8.7
153.01913	4.3
161.02490	0.5
163.00343	1.3
164.01062	0.5
165.01933	0.5
168.00652	0.9
169.01414	27.0
170.01628	0.6
178.99846	3.8
187.03938	0.5
191.03604	0.3
195.02914	0.5
199.03981	0.6
211.03989	1.1
216.29245	0.4
226.02692	0.8
227.03484	5.3
228.04051	0.4
229.05067	2.1
239.03564	0.4
241.03607	1.1
243.02962	5.7
243.96765	1.0
254.02177	0.8
255.02956	21.4
256.03644	1.9
257.04398	0.7
260.53915	0.4
271.02444	28.6
272.03030	2.1
273.04166	0.5
283.02362	1.9
284.03262	10.5
285.04031	11.4
286.04419	0.5
297.05939	0.5
299.02228	0.7
300.02725	59.8
301.03467	21.1
301.83481	0.4
302.03848	1.4
313.05582	5.3
330.78937	0.4
358.46552	0.4
383.07819	0.6
447.09262	1.3
463.08755	16.1
464.09009	1.0
537.32056	0.4
539.34216	1.5
563.14014	0.6
592.40961	0.4
599.10358	100.0
600.10748	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	599.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58853	1.4
57.03449	2.7
58.05618	1.4
59.01377	16.1
61.98825	100.0
69.47467	10.6
70.44003	1.6
71.01370	8.2
72.99304	3.2
73.02941	1.8
73.80323	1.4
75.00887	3.4
79.95734	6.5
80.96491	2.0
83.01407	1.6
85.02934	3.2
87.00851	1.7
88.98846	2.4
89.02444	3.6
93.03453	2.2
95.01347	2.4
96.96006	81.2
98.95619	2.5
99.00896	1.6
101.02444	5.2
107.01336	1.6
109.02957	2.1
111.04574	1.5
113.02408	2.7
116.92859	2.1
117.03459	6.3
119.05011	3.8
120.99631	1.8
123.04492	2.3
125.02433	5.8
137.02449	2.4
145.02940	40.9
149.04523	1.6
149.05946	1.6
151.00330	5.6
153.01848	2.4
163.04016	4.7
169.01389	4.0
179.03490	4.4
181.04948	1.8
196.07237	2.2
211.09795	3.5
212.88893	1.7
216.79085	1.5
227.03781	1.5
255.02855	2.4
271.02554	2.9
285.04031	2.6
286.04468	2.0
300.02823	2.3
301.03494	9.1
311.09326	3.0
326.11710	3.0
341.13867	12.8
453.17899	4.9
519.25934	6.5
537.16553	1.6
576.67670	1.9
599.11346	2.4
599.20795	44.4
600.22253	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	599.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94395	3.8
59.01389	26.3
61.98826	53.4
69.28922	36.6
71.01371	16.3
72.99303	4.8
73.02943	4.2
78.39609	3.6
79.95724	6.1
85.02931	14.5
88.98807	6.1
89.02436	10.6
95.01378	6.4
96.96004	100.0
99.00871	5.1
101.02436	11.5
102.98584	4.1
109.02914	10.7
113.02443	8.2
116.89295	3.8
120.99641	4.2
121.02945	77.5
123.04559	5.3
125.02461	21.7
135.04515	4.3
137.02437	7.9
138.05592	3.6
139.03934	4.9
151.03958	6.5
153.02000	5.7
159.04367	3.9
161.02403	7.3
165.01859	5.6
167.03477	7.1
179.03419	4.3
181.05022	7.1
181.08594	5.0
185.03813	4.8
191.05583	22.7
195.06563	6.2
203.07085	4.5
203.98915	4.7
209.04510	72.6
210.04881	7.1
228.57924	4.7
289.07172	19.6
290.38983	3.9
300.99731	9.9
327.14502	19.4
539.26318	6.4
563.23395	58.4
599.21552	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01379	4.9
61.98827	25.9
65.15518	0.4
65.22153	0.4
71.01377	3.1
71.61105	0.6
72.99335	0.5
73.02957	0.4
75.00884	0.6
79.95727	5.3
80.96513	0.6
83.01373	0.7
85.02944	1.2
87.00912	0.9
87.20793	0.4
88.98794	1.1
89.02402	0.9
95.05036	0.6
95.95222	1.3
96.96007	84.7
99.00881	0.5
99.04517	0.7
101.02415	1.6
109.02966	0.6
113.02447	1.2
117.02634	0.7
117.03458	12.9
119.05013	5.6
123.00903	0.5
123.04487	0.7
125.02438	1.7
128.28676	0.4
136.99118	0.4
137.02411	0.7
145.02948	79.0
146.03293	2.7
148.39015	0.4
151.00386	0.8
159.04272	0.4
161.04562	0.6
161.06030	0.9
163.04002	8.1
165.05479	0.6
167.03503	0.4
169.01413	0.8
174.01628	0.5
175.04033	0.8
179.03549	0.4
205.04976	1.0
225.00523	0.4
227.03523	0.4
241.04793	0.5
255.02948	0.5
257.08493	0.5
269.17279	0.5
273.11594	1.0
300.02628	0.7
301.03375	1.0
329.10129	0.8
344.12546	0.5
358.78146	0.4
359.14993	3.2
371.14874	1.0
376.27792	0.6
453.17935	7.5
454.18326	0.5
519.18115	0.7
519.25909	14.2
520.26160	0.9
555.28070	0.7
563.11761	1.0
599.21478	100.0
600.21857	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	599.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.5
61.98832	2.6
71.01384	1.1
71.59898	0.5
71.60286	0.8
78.91904	3.7
80.91680	2.2
85.62289	0.5
89.02438	0.7
93.03447	1.2
96.96004	2.2
101.02423	0.8
106.82371	0.5
109.02961	0.6
113.02403	0.6
121.02955	3.3
122.03780	0.8
123.00890	0.5
123.04485	0.6
125.02460	0.9
137.02359	0.6
139.25128	0.5
149.02432	44.6
150.01390	0.6
150.03238	14.4
153.05429	0.7
164.04782	13.9
165.05556	19.8
166.06250	1.9
167.07106	3.0
180.04240	1.4
181.08742	1.5
187.09833	0.7
195.06618	11.9
217.36646	0.5
273.00372	1.6
283.09674	1.5
285.11230	0.8
305.10703	0.6
314.11566	21.8
315.11942	1.4
329.13910	100.0
330.14200	5.9
377.16010	51.6
378.16376	3.2
539.27332	0.9
599.11810	1.1
599.21021	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	600.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86807	0.7
61.98825	100.0
65.66263	0.8
70.44795	2.4
75.15194	0.6
78.57337	0.7
88.51845	0.8
98.20536	0.9
109.31683	0.8
118.64736	0.7
143.23848	0.9
182.87695	0.7
193.56540	0.7
225.34169	0.7
228.86006	0.8
233.70111	0.7
258.09467	0.8
259.11200	0.7
261.70566	0.7
497.08173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1195
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03443	4.6
59.01373	3.9
61.57529	0.6
61.98827	76.6
65.00318	5.8
69.03454	0.9
71.01370	3.7
73.02950	1.5
79.95736	1.9
81.03444	1.0
83.01398	4.1
85.02937	1.8
89.02445	1.3
93.03420	0.6
95.01361	1.6
96.96006	71.4
97.02930	1.1
98.95625	0.8
99.04511	1.0
101.02425	2.2
107.01382	12.0
109.02921	2.1
111.00875	1.2
113.02425	3.0
117.03496	0.7
119.05058	0.8
121.02901	0.6
123.00881	6.5
123.04507	1.1
124.01662	0.7
125.02440	75.9
126.02774	1.8
131.01381	0.7
133.02931	2.4
134.03734	1.0
135.04512	21.4
137.02422	1.9
139.00340	2.0
139.03993	0.7
140.01126	1.4
141.01907	1.0
149.02405	1.8
150.03230	0.7
151.00366	37.7
151.03964	1.0
152.00694	0.7
161.02435	6.0
165.01891	2.4
165.05553	1.7
166.99757	0.8
167.03401	2.1
168.00623	1.7
169.01413	51.7
170.01787	1.3
175.00311	2.2
177.01871	2.2
179.03328	0.8
179.06877	0.7
181.05096	1.2
182.02237	0.8
193.01384	0.8
193.98541	0.6
195.06543	1.3
197.04518	2.5
200.66209	0.6
200.98726	0.6
205.10721	0.8
211.02446	5.3
241.03514	2.0
271.04437	4.7
287.05627	6.6
313.05621	50.8
314.05835	1.9
335.96231	0.6
403.13934	2.6
406.19904	0.8
439.08777	45.9
440.09076	2.1
465.06702	5.1
491.08502	4.2
539.21027	2.2
540.34015	0.8
579.76013	1.9
601.11890	100.0
602.12134	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	601.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.0
60.57604	0.5
61.98821	1.0
69.26784	6.6
71.01384	6.3
73.02941	1.6
75.00346	0.7
79.95734	14.5
80.96517	0.7
83.01394	1.4
85.02969	1.7
87.00867	1.1
89.02435	3.6
93.03428	1.6
96.95999	4.6
98.20660	1.6
99.00903	0.9
101.02429	5.4
102.14974	0.7
113.02441	2.3
113.99566	1.1
121.02953	1.3
125.02435	0.7
137.02412	1.9
159.04457	0.7
188.37045	0.6
235.94247	0.7
240.04047	0.9
255.09981	0.8
267.06702	0.8
268.07138	1.3
269.08182	1.8
281.08148	3.8
282.08917	1.6
283.09784	3.8
294.08771	0.9
295.09671	1.5
298.11911	0.8
299.09259	1.9
311.09235	7.5
312.09543	0.9
314.08218	1.2
314.11636	2.6
315.12372	1.5
325.10495	0.8
326.11493	8.3
327.12445	2.1
329.13947	7.3
329.17639	1.0
341.13919	7.4
343.11874	1.0
355.11844	1.0
473.14816	1.1
476.16608	7.1
488.16849	2.4
491.19189	14.9
492.19443	1.0
503.19257	6.0
601.15930	100.0
602.16290	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	601.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24123	0.1
59.01369	0.2
61.90108	0.1
61.98831	1.4
69.25491	1.0
69.25901	0.2
78.95893	0.8
79.95741	2.5
89.14663	0.1
96.96006	100.0
97.95925	0.2
98.19919	0.3
113.02490	0.1
116.06671	0.1
123.00930	0.2
125.02435	1.3
135.04527	0.3
149.02470	0.1
151.00383	0.9
161.02454	0.2
169.01392	0.9
174.61478	0.1
179.03607	0.1
182.02158	0.2
197.04544	0.2
211.02359	0.1
287.05627	0.2
313.05566	0.9
339.42966	0.1
388.42950	0.1
439.08585	0.8
601.11707	1.2
601.20764	0.2
602.12756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.06324	0.1
61.98529	0.2
61.98829	3.9
63.82891	0.2
69.39961	1.0
71.01371	0.4
78.95901	0.4
79.95729	2.9
89.02444	0.1
93.03423	0.2
96.96005	100.0
97.95937	0.4
98.72267	0.1
98.95575	0.8
98.96418	0.1
101.02475	0.2
125.02422	0.8
133.02995	0.1
135.04512	0.3
137.02431	0.2
169.01370	0.6
186.55231	0.1
286.70340	0.2
289.37552	0.2
313.05566	0.3
319.84702	0.2
444.09387	0.2
601.12152	0.5
601.25092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
58.00583	0.6
58.60889	0.4
59.01375	20.0
68.99550	0.9
71.01376	20.1
71.51906	0.8
72.99298	1.4
77.34637	0.4
87.00849	1.0
89.02463	1.1
99.00874	1.8
103.00331	0.6
112.98769	3.6
115.00364	10.2
115.01142	0.7
130.47083	0.4
133.01390	0.9
142.99858	100.0
144.00668	8.5
145.01396	1.2
150.35149	0.5
161.00920	1.2
254.83766	0.4
281.15198	0.4
441.33646	2.5
457.36795	5.3
458.37567	0.6
472.89349	0.5
601.39020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75694	0.2
59.01379	0.8
61.98828	100.0
62.06356	0.2
66.78397	0.2
69.48921	0.8
69.49329	0.4
71.01380	0.6
73.02924	0.3
79.95750	1.2
82.95419	0.4
83.01413	0.2
85.02966	0.3
89.02452	0.3
96.96008	0.9
98.19892	0.3
99.00886	0.2
101.02474	0.5
101.98922	0.2
107.14768	0.2
111.00848	0.2
118.95747	0.2
121.02920	0.2
125.02484	0.5
137.02480	0.3
139.16692	0.2
151.04018	0.2
154.44737	0.2
165.05569	0.2
169.01379	0.2
271.04639	0.3
289.07309	0.6
302.84024	0.2
329.14221	0.2
361.16632	0.4
539.21570	0.4
562.87488	0.2
602.16876	0.6
603.17810	2.7
603.26953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75694	0.2
59.01379	0.8
61.98828	100.0
62.06356	0.2
66.78397	0.2
69.48921	0.8
69.49329	0.4
71.01380	0.6
73.02924	0.3
79.95750	1.2
82.95419	0.4
83.01413	0.2
85.02966	0.3
89.02452	0.3
96.96008	0.9
98.19892	0.3
99.00886	0.2
101.02474	0.5
101.98922	0.2
107.14768	0.2
111.00848	0.2
118.95747	0.2
121.02920	0.2
125.02484	0.5
137.02480	0.3
139.16692	0.2
151.04018	0.2
154.44737	0.2
165.05569	0.2
169.01379	0.2
271.04639	0.3
289.07309	0.6
302.84024	0.2
329.14221	0.2
361.16632	0.4
539.21570	0.4
562.87488	0.2
602.16876	0.6
603.17810	2.7
603.26953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.23829	0.3
70.82106	0.8
87.25222	0.3
530.84906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88986	0.4
57.03511	0.5
59.01383	1.9
59.02857	0.4
60.18364	0.4
69.45778	1.5
69.46202	1.5
71.01375	2.4
73.02964	0.5
79.95734	40.6
80.96509	3.2
82.95403	3.3
83.01352	0.6
84.95119	0.6
85.02941	1.1
87.00874	0.7
89.02453	1.0
93.03439	1.6
96.96004	5.7
101.02424	1.3
104.91547	0.4
107.01354	0.5
109.02941	3.8
113.02490	1.1
114.78962	0.4
119.04940	0.4
121.02944	9.9
122.03738	6.7
123.04522	2.4
124.01630	0.8
125.02440	2.4
133.82788	0.4
135.04543	0.9
136.05229	0.7
137.02486	2.3
147.04483	3.1
148.05270	0.6
149.06070	1.1
151.03964	0.6
154.02785	0.8
161.06039	1.7
163.03963	0.7
165.04149	0.8
165.05562	15.3
169.01422	1.5
175.07661	0.6
178.06200	0.7
179.07140	4.6
187.03993	0.9
200.60442	0.4
203.07117	0.7
205.05009	0.5
209.04604	1.4
209.08128	0.5
216.01062	0.6
229.01448	0.4
238.23984	0.4
241.00256	1.5
245.08237	0.8
289.07141	3.0
300.99597	0.8
313.05804	1.0
313.14319	1.4
315.12177	1.0
316.13083	0.5
343.15585	0.6
346.14178	7.5
347.14853	0.6
361.16534	44.4
362.16946	3.4
397.13113	1.1
438.75153	0.4
441.07059	0.5
441.12375	5.3
448.53931	0.4
516.35217	0.5
567.17737	0.5
603.17542	100.0
604.17780	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	603.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03429	0.5
57.47353	0.4
59.01379	7.7
61.98830	11.8
66.25061	0.3
71.01382	6.7
72.99277	0.4
73.02929	1.3
79.95734	40.6
80.46068	0.3
80.96514	4.6
83.01376	1.4
85.02962	2.5
87.00864	0.6
88.95646	0.4
89.02435	2.9
95.01347	0.6
96.95985	1.3
98.20638	1.1
99.00884	0.8
101.02446	4.3
109.02939	1.8
110.47581	0.5
113.02458	1.9
119.03452	0.9
121.02946	3.1
122.03734	4.3
123.04504	0.7
123.32353	0.4
129.03503	0.5
134.03706	0.4
135.04521	0.7
136.05417	0.4
137.02457	0.6
147.04527	2.6
149.06067	0.5
161.06071	1.3
162.06905	0.5
165.05554	8.1
166.26382	0.4
174.82954	0.4
179.07130	2.2
191.07095	1.0
197.72827	0.4
219.88048	0.4
223.09666	0.5
240.72614	0.5
246.80939	0.4
310.17883	0.4
313.14459	0.7
315.12378	0.7
328.12976	0.8
329.13800	0.4
338.36438	0.4
343.15738	1.9
343.18915	0.4
346.14001	2.2
347.14926	0.8
361.16556	24.1
362.16873	2.0
423.88708	0.4
447.99194	0.4
454.83688	0.4
523.21991	2.7
603.17493	100.0
604.17786	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	603.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01378	4.9
61.98809	0.9
62.06244	0.4
69.03436	0.7
69.13383	0.4
71.01381	3.3
71.61620	0.6
72.68784	0.4
73.02927	1.5
79.95731	27.1
80.96512	1.5
83.01382	0.5
85.02934	2.0
87.00834	0.5
87.04520	0.4
89.02453	1.8
93.03448	1.3
95.01375	0.4
96.96004	8.8
101.02439	1.3
108.02141	1.3
109.01740	0.4
109.02917	0.8
121.02969	2.2
122.03740	3.1
123.04517	2.2
125.02411	1.2
132.02162	0.8
133.02953	8.1
134.03674	1.4
135.04549	0.7
136.01579	0.7
137.02429	1.3
147.04530	1.1
149.02426	18.6
149.06059	2.2
150.03215	25.0
151.03786	0.6
153.01993	0.5
162.03198	0.7
164.04781	4.5
165.05557	23.5
166.06352	3.3
167.07100	1.1
169.01418	1.6
169.07674	0.4
172.05350	0.4
177.05544	0.9
179.07095	1.6
180.04289	2.1
181.08713	3.8
195.06596	4.5
203.00179	2.2
245.01253	2.4
259.02829	2.5
283.09750	1.0
297.11563	0.4
312.12119	0.5
313.12903	0.6
314.11584	1.5
315.12338	0.9
327.14526	5.6
329.13950	5.1
330.14011	0.8
361.16504	1.5
377.09164	0.5
405.08517	1.2
421.15689	0.5
441.12305	0.6
460.17438	0.8
475.19662	15.8
476.19849	1.0
523.21790	1.3
566.57428	0.4
603.17438	100.0
604.17749	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	603.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74621	0.2
59.01366	0.3
61.98821	0.8
70.03288	0.4
70.03681	0.2
78.95908	1.0
79.95738	3.3
83.38067	0.2
84.95126	0.8
91.79700	0.1
96.96005	100.0
97.95951	0.2
98.20621	0.2
101.02457	0.1
117.45706	0.1
125.02445	1.1
135.49802	0.1
142.99222	0.2
146.47484	0.1
169.01430	1.5
182.34848	0.1
196.47791	0.5
203.98920	0.3
227.03557	0.1
243.66985	0.1
243.96878	1.0
246.30156	0.1
255.03038	0.2
284.03305	0.3
285.04132	0.7
286.03656	0.2
312.99924	0.2
390.58090	0.1
428.86353	0.2
591.63434	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43317	0.1
55.50348	0.1
58.55574	0.1
59.01363	0.4
61.98824	2.1
69.27214	1.3
71.01389	0.2
78.95878	0.8
79.95734	3.7
82.95428	0.3
93.59775	0.1
95.95230	0.3
96.96008	100.0
97.95959	0.2
98.20665	0.4
150.03130	0.2
166.06238	0.2
181.08617	0.2
181.69197	0.2
195.06499	0.2
208.63597	0.2
275.02356	0.3
412.36581	0.2
560.99811	0.2
603.17126	2.0
603.25079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80962	0.2
50.84088	0.2
52.51161	0.2
59.01379	1.3
61.98825	1.1
66.23934	0.2
69.26778	0.3
69.27183	1.4
71.01380	0.5
78.95873	0.4
79.95744	2.6
83.01351	0.2
85.02960	0.3
89.02449	0.2
96.96008	100.0
97.95934	0.3
98.20620	0.3
98.95599	0.5
101.02448	0.4
106.21066	0.2
113.02417	0.5
125.02451	0.2
137.02438	0.4
139.00526	0.3
149.02303	0.2
165.01936	1.2
166.02245	0.2
166.06290	0.3
180.04306	0.4
195.06639	0.8
203.89224	0.2
209.68094	0.2
210.85912	0.2
225.07631	0.9
234.55769	0.2
329.13773	0.3
352.85611	0.2
373.12637	0.3
401.94556	0.2
405.24805	0.2
447.70581	0.2
451.12943	0.2
603.17853	0.3
603.26740	1.8
603.76880	0.7
634.04382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98825	0.5
63.96228	0.2
71.01369	0.6
72.99300	0.2
73.02931	0.1
75.00871	0.1
78.95903	0.5
79.95737	2.5
80.91695	0.4
82.95412	0.6
85.02976	0.2
87.00835	0.1
89.02446	0.4
91.85402	0.1
96.96007	100.0
97.95953	0.2
99.00895	0.2
101.02402	0.3
108.14635	0.1
113.02453	0.3
125.02438	0.2
135.98387	0.2
137.02412	0.2
151.56786	0.1
165.01991	0.2
169.01418	0.2
199.76593	0.1
228.32922	0.1
249.15054	0.1
265.90720	0.1
267.66809	0.1
293.08530	0.2
341.06741	0.2
449.62946	0.1
546.14490	0.1
603.29761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41153	0.2
59.01381	1.0
61.98822	1.0
70.89561	0.3
71.01377	0.6
78.95906	0.6
79.95731	2.6
82.95414	0.6
85.02943	0.2
89.02467	0.3
95.01402	0.1
96.96006	100.0
97.95937	0.2
98.95609	0.3
99.00874	0.2
101.02440	0.3
113.02440	0.4
116.92804	0.2
123.04514	0.3
123.83546	0.1
125.02422	0.4
128.98726	0.1
137.02414	0.3
145.02960	0.2
158.40247	0.1
165.01961	0.2
169.01422	0.6
209.44308	0.1
243.06477	0.2
300.02841	0.2
441.18933	0.2
567.24695	0.2
603.23364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	1.0
54.32950	0.9
59.01363	3.4
60.99303	17.2
61.98804	2.2
68.99540	1.9
69.34306	9.0
76.25871	0.9
78.76069	1.1
84.20067	0.9
85.89874	1.0
87.00843	2.9
88.00405	7.5
88.98803	100.0
89.02438	65.8
89.03006	2.2
96.96006	1.5
98.20673	2.1
112.98614	1.2
277.21851	1.1
285.13107	1.0
367.43768	1.2
398.31296	1.1
399.34793	1.1
424.87238	1.1
603.37439	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	2.6
59.01376	38.7
61.98814	5.3
69.85521	7.0
71.01377	3.0
73.02909	1.6
83.05022	4.9
88.98781	2.6
89.02438	1.8
96.96000	6.9
97.03783	1.4
98.19984	3.2
101.02464	1.6
117.69267	2.1
143.25917	1.5
150.32149	1.5
163.11238	2.3
171.10275	6.4
209.11819	100.0
210.12248	3.8
227.12845	12.5
247.13257	2.2
298.59412	1.7
376.25098	1.8
603.30634	2.1
624.51788	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	605.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59838	0.6
52.99833	0.7
59.01376	4.4
60.36749	0.7
61.98782	0.7
64.34014	0.6
67.01897	0.7
69.56050	4.1
71.00201	0.7
71.01372	4.6
72.99326	0.6
73.02934	0.8
79.01899	0.9
79.14258	0.6
79.95750	1.0
81.95293	0.7
82.33548	0.6
83.01390	0.7
84.58433	0.6
84.95113	1.6
85.02961	0.8
89.02436	2.1
95.01389	1.6
95.99040	0.6
96.96006	20.9
97.02952	0.7
99.00842	0.8
101.02430	1.8
106.19585	0.6
107.01398	2.6
111.00865	2.1
113.02439	2.3
120.99635	2.2
123.00871	12.1
124.01663	1.0
125.02448	13.8
127.00346	0.9
136.98842	1.1
139.00389	4.0
139.04109	0.6
140.01123	2.4
141.01938	1.9
143.74498	0.6
149.02414	1.0
150.03186	1.7
151.00359	6.8
153.01892	0.8
165.05559	1.7
168.00615	2.7
169.01402	13.8
170.01779	0.7
181.04993	0.7
195.06583	0.8
211.02475	5.5
255.32190	0.6
271.04535	5.6
300.02780	0.7
313.05624	1.1
362.25775	0.8
367.28030	0.6
453.17819	2.2
525.23364	68.7
526.23486	5.7
569.22351	1.4
605.19012	100.0
606.19031	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	605.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	4.5
59.01376	99.5
61.98831	11.8
69.03436	3.8
69.77835	18.4
71.01379	85.2
73.02946	17.3
73.03304	2.9
73.50632	3.0
73.51472	2.8
75.00848	3.3
78.95888	5.4
80.64862	3.0
81.03378	4.0
83.01379	5.4
85.02948	14.2
87.00880	3.6
88.98786	4.6
89.02435	97.2
95.01408	4.4
96.96003	37.3
97.02930	6.6
98.20524	6.2
98.95583	7.2
99.00884	31.4
99.04550	3.3
101.02436	34.1
113.02439	15.3
115.04015	3.8
119.03497	3.4
125.02428	33.5
131.03510	17.6
143.03500	4.4
149.04549	56.7
159.10266	9.4
161.04556	8.7
185.05910	2.9
189.16463	5.2
191.05588	17.8
191.29250	2.9
209.11876	7.9
233.06589	22.7
251.16467	52.9
293.08749	100.0
294.09006	7.0
305.17477	3.6
341.22238	3.7
353.66507	3.7
460.66226	3.2
501.30411	4.3
544.79352	4.7
552.19763	3.2
574.65186	4.0
596.22339	3.7
597.09100	3.6
605.31622	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	3.4
58.00574	0.9
59.01377	75.8
60.34172	0.9
61.98822	8.6
62.57903	0.8
69.46289	2.5
69.46721	3.9
71.01382	29.3
72.99300	2.3
73.02937	6.9
73.88989	0.8
75.00860	1.4
79.95761	0.9
82.95402	8.0
83.01384	4.7
84.95108	2.0
85.02952	14.9
86.00071	0.8
87.00861	2.1
87.04539	1.0
88.98802	2.9
89.02438	11.6
93.03457	0.9
95.01375	3.0
96.96012	13.6
97.02956	1.1
97.06548	1.4
98.95584	2.4
99.00890	2.5
101.02440	14.5
107.01419	1.3
113.02439	15.7
119.03482	4.9
123.04532	1.2
124.01679	1.1
125.02432	3.6
131.03508	2.2
135.04495	2.8
137.02492	1.0
139.11249	0.8
141.12839	1.0
143.03534	1.3
145.02916	1.6
149.04559	0.9
151.00369	3.7
157.12312	1.2
159.03009	1.3
161.04588	4.9
167.03549	1.0
169.01334	1.6
182.87393	0.8
221.13521	0.8
229.18138	0.8
237.14952	3.5
256.11963	0.9
287.05539	1.9
339.25302	1.9
348.17719	1.2
357.26337	4.5
362.19266	1.2
364.53436	0.9
413.25305	4.6
443.20383	2.2
462.04495	0.8
465.28680	1.4
483.29449	2.4
501.30652	100.0
502.30991	10.5
513.28351	0.8
519.31714	27.3
520.31897	2.6
543.32526	1.0
545.29364	3.1
561.32495	3.2
569.12488	2.2
569.26447	1.7
570.13330	0.9
605.23877	1.6
605.31921	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	3.4
58.00574	0.9
59.01377	75.8
60.34172	0.9
61.98822	8.6
62.57903	0.8
69.46289	2.5
69.46721	3.9
71.01382	29.3
72.99300	2.3
73.02937	6.9
73.88989	0.8
75.00860	1.4
79.95761	0.9
82.95402	8.0
83.01384	4.7
84.95108	2.0
85.02952	14.9
86.00071	0.8
87.00861	2.1
87.04539	1.0
88.98802	2.9
89.02438	11.6
93.03457	0.9
95.01375	3.0
96.96012	13.6
97.02956	1.1
97.06548	1.4
98.95584	2.4
99.00890	2.5
101.02440	14.5
107.01419	1.3
113.02439	15.7
119.03482	4.9
123.04532	1.2
124.01679	1.1
125.02432	3.6
131.03508	2.2
135.04495	2.8
137.02492	1.0
139.11249	0.8
141.12839	1.0
143.03534	1.3
145.02916	1.6
149.04559	0.9
151.00369	3.7
157.12312	1.2
159.03009	1.3
161.04588	4.9
167.03549	1.0
169.01334	1.6
182.87393	0.8
221.13521	0.8
229.18138	0.8
237.14952	3.5
256.11963	0.9
287.05539	1.9
339.25302	1.9
348.17719	1.2
357.26337	4.5
362.19266	1.2
364.53436	0.9
413.25305	4.6
443.20383	2.2
462.04495	0.8
465.28680	1.4
483.29449	2.4
501.30652	100.0
502.30991	10.5
513.28351	0.8
519.31714	27.3
520.31897	2.6
543.32526	1.0
545.29364	3.1
561.32495	3.2
569.12488	2.2
569.26447	1.7
570.13330	0.9
605.23877	1.6
605.31921	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	606.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19274	0.2
59.01365	0.3
61.98825	100.0
96.96032	0.3
111.16182	0.2
143.54924	0.1
146.20634	0.1
178.03181	0.1
230.24022	0.2
279.46799	0.1
279.64093	0.1
403.62741	0.1
491.67789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.13
Annotation	6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03439	1.7
58.22780	0.7
59.01374	7.0
59.44801	0.7
60.99315	4.6
61.98824	3.1
64.62986	0.6
65.00320	1.4
69.24765	4.3
69.25198	2.7
71.01366	4.7
72.99312	0.9
73.02957	1.6
79.95732	8.7
82.95419	1.7
83.01392	1.4
84.95128	1.5
85.02971	1.9
87.00888	1.6
88.98804	35.7
89.00671	0.9
89.02457	3.0
96.96009	20.2
97.06602	0.8
98.95657	0.8
99.00870	1.1
101.02456	3.7
107.01412	3.1
108.02172	1.9
109.02972	1.6
111.00883	0.8
113.02437	1.5
119.03453	1.0
119.04957	0.7
121.02988	2.5
125.02441	2.2
137.02414	1.1
145.02939	1.1
151.00371	12.4
161.02423	0.8
161.04520	0.8
163.00333	3.1
164.01277	0.9
169.01405	0.8
174.12956	0.7
178.99918	5.5
179.05717	1.0
181.05038	1.3
182.05760	1.6
189.01958	0.9
191.03471	0.8
196.47818	5.0
197.08171	1.6
203.10709	1.1
203.98947	2.9
209.11850	1.9
219.81775	0.8
226.02664	1.3
227.03427	1.9
229.04973	1.4
243.02965	10.5
243.96796	12.9
244.03371	0.7
244.47031	2.4
244.96657	0.9
245.04507	1.4
247.09744	2.4
254.02092	1.8
255.02969	26.3
256.03250	1.0
271.02463	46.9
272.02972	4.5
273.04105	1.2
283.02533	1.6
297.97443	1.5
299.01950	1.7
300.02734	100.0
301.03473	42.2
302.03821	2.7
312.99939	2.8
314.00070	1.0
328.02121	0.9
329.02493	0.9
397.13364	1.4
403.13885	2.4
409.14999	1.3
463.08777	56.3
464.09277	4.5
505.09827	42.4
506.10190	3.7
545.12927	11.6
546.13403	1.5
547.28394	3.5
607.12939	26.3
607.23053	2.3
608.12933	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36437	2.7
59.01378	100.0
61.98824	11.4
62.28897	2.5
71.01382	43.2
71.60654	4.1
72.52905	2.3
72.99307	5.9
73.02953	41.1
83.01375	15.7
84.32895	2.5
85.02955	13.0
87.00864	5.6
88.98804	2.6
89.02446	23.4
91.84027	2.7
95.01371	3.7
96.96007	28.6
98.95630	3.0
99.00849	4.5
101.02449	45.0
109.02924	2.8
111.00942	3.4
113.02448	18.7
117.03504	3.2
119.03468	7.0
122.05157	2.5
125.02409	6.7
131.03497	11.8
135.04500	3.3
137.02448	5.2
143.03459	3.0
145.02936	9.0
149.04552	15.7
150.03110	2.9
151.00417	6.8
153.01855	3.2
161.02367	3.7
161.04555	7.5
163.03958	3.0
175.41362	3.2
191.05566	5.4
247.09685	6.4
255.10352	4.3
271.02396	4.8
283.09747	20.6
298.11923	3.5
299.09314	2.9
300.02753	5.7
301.03613	5.2
311.09244	58.8
325.10754	5.6
326.11542	30.9
329.13803	7.4
338.93304	3.4
341.13931	55.5
403.13641	8.4
461.13263	3.3
473.18695	4.7
485.17892	5.5
491.19196	7.7
503.19049	6.0
503.32300	3.6
533.20197	15.5
544.25153	3.3
545.19995	12.9
547.27258	4.1
607.14496	3.5
607.25641	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	607.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28251	1.8
57.03444	3.3
59.01374	70.1
61.41449	2.3
61.54692	1.8
61.98840	3.4
69.03443	1.9
69.55234	1.6
71.01376	57.6
72.99307	4.4
73.02950	12.9
74.99107	2.0
75.00853	4.2
81.03515	1.9
82.95418	5.2
83.01383	5.2
85.02950	13.3
87.00871	11.7
89.02439	67.4
95.01406	4.0
96.96008	15.8
97.02940	4.0
99.00872	5.1
101.01791	3.5
101.02438	55.8
103.00361	4.8
105.01918	7.5
109.02938	2.1
113.02441	26.1
119.03493	26.4
119.04942	2.4
125.02426	7.5
131.03490	7.6
143.03540	9.2
149.04495	3.5
156.65665	1.8
161.04536	23.9
161.05927	2.6
164.98273	1.8
165.04082	9.7
165.05302	2.8
169.01355	2.5
177.95097	2.0
179.05598	100.0
187.07559	2.0
187.11281	4.0
205.12354	2.4
219.10184	2.2
221.06609	27.1
231.10138	1.8
241.19620	1.8
281.08792	3.5
291.06186	2.3
301.03256	2.6
314.11478	3.3
323.09753	3.0
329.13940	6.7
341.10736	10.7
341.14270	2.5
547.23865	58.1
548.23987	3.3
607.20135	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79127	0.8
55.01887	1.9
57.03445	2.7
59.01377	87.4
61.98830	6.0
70.43028	1.1
71.01377	26.0
72.99310	3.0
73.02946	5.3
75.00882	1.1
79.67459	0.9
82.95416	10.0
83.01392	3.5
84.95103	3.4
85.02942	13.0
87.00864	3.6
88.98810	2.2
89.02432	9.7
95.01372	3.1
96.74379	0.9
96.95996	10.7
97.02926	1.3
99.00874	4.1
101.02437	12.6
101.98965	0.9
110.00122	0.9
111.00908	1.5
113.02443	17.0
119.03520	1.7
119.05001	1.4
123.00873	1.3
123.08164	1.4
125.02465	4.5
131.03557	1.1
139.00246	1.1
143.03418	1.9
145.03008	1.2
149.04500	1.5
151.00388	0.8
161.04524	2.9
163.04079	1.2
163.53357	0.9
165.01878	1.8
187.13351	1.2
191.05559	1.2
201.14925	2.3
229.71191	1.1
241.01224	1.2
271.02649	1.3
293.08859	2.0
299.02167	1.2
341.26865	1.6
344.18365	1.3
357.09906	1.1
359.28058	9.5
383.07819	1.6
403.17471	2.2
427.06949	1.6
444.81674	0.9
455.29797	1.1
471.94632	1.0
498.18893	1.0
503.32251	100.0
504.32538	10.7
521.33228	27.7
522.33600	3.4
545.32935	1.4
547.27576	1.3
563.34271	14.7
607.27252	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	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03437	2.5
59.01377	54.3
61.98817	3.3
67.01865	0.7
70.61125	2.0
71.01379	23.1
72.99301	1.5
73.02949	6.7
75.00871	0.6
82.95424	1.8
83.01387	2.8
84.95132	2.3
85.02946	10.8
85.05324	0.6
87.00850	1.7
87.34386	0.7
88.98817	0.8
89.02439	6.5
95.01376	3.4
95.82390	0.7
96.96001	5.4
99.00882	3.1
101.02444	12.8
108.84850	0.7
111.00862	1.0
113.02438	14.4
119.03510	2.3
121.10229	2.0
123.04457	0.7
124.01614	0.8
125.02432	2.7
131.03473	0.7
137.02452	1.5
143.03481	0.8
145.02879	1.0
149.04427	0.9
159.02942	1.1
161.04594	4.7
165.01802	1.5
171.13902	1.1
187.13525	1.3
201.14948	8.2
249.06078	0.8
264.23676	0.8
311.09201	0.7
345.19281	2.1
359.27924	2.8
363.20090	1.3
383.07703	1.4
388.63364	0.7
427.06580	2.7
467.29831	0.8
503.32230	100.0
504.32538	7.9
521.33258	16.6
522.33746	1.8
563.34210	6.2
607.28143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39627	1.0
55.01865	1.3
57.03435	3.7
59.01377	68.6
60.08735	0.9
61.98824	8.2
68.99844	0.7
69.03439	1.3
70.74012	2.4
70.74374	1.0
71.01377	16.0
72.99305	1.6
73.02925	5.2
75.00865	1.2
78.95898	6.7
80.96448	0.9
83.01374	5.0
85.02950	10.6
87.00860	3.0
88.98791	2.5
89.02440	3.7
95.01389	3.3
96.96003	4.3
97.02930	1.4
99.00877	2.9
101.02442	10.1
109.14724	0.9
111.00837	1.3
113.02452	8.6
125.02415	2.8
127.11310	1.7
131.07637	0.9
137.09720	3.0
143.03496	1.3
152.99541	3.0
155.10748	4.4
157.12349	1.1
161.04543	2.5
169.01353	1.1
171.10274	0.9
183.13786	1.1
201.14922	6.4
209.11778	2.5
230.15167	2.9
341.26996	1.0
357.26053	1.1
359.28006	12.2
363.12100	1.7
418.01254	0.9
503.32208	100.0
504.32556	9.7
521.33246	26.4
522.33704	1.9
545.33771	2.1
547.29688	0.8
563.34497	6.5
607.25079	2.8
607.34375	1.5
618.10455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33917	0.4
59.01384	2.9
61.98826	3.0
63.02406	1.1
65.00337	1.8
67.24268	0.5
69.46934	1.1
69.47350	1.9
71.01385	2.0
72.99334	0.6
83.01400	1.2
85.02940	0.9
87.00851	0.4
88.98805	1.7
89.02438	0.8
93.03473	0.5
96.95999	1.6
99.00906	0.5
101.02428	0.7
107.01372	4.0
108.02201	1.5
109.02977	1.6
113.02461	1.2
117.03484	0.9
119.05049	1.0
120.99638	0.4
121.02961	2.4
121.58874	0.4
125.02439	1.2
135.00897	1.2
137.02487	0.5
145.02960	2.1
148.01727	1.3
151.00351	13.9
153.01909	0.7
161.02505	0.9
163.00331	2.3
163.03934	0.5
164.01149	1.1
169.01434	0.7
173.05872	0.4
178.99864	6.5
187.03979	0.8
190.99910	0.7
192.00685	1.0
199.03970	0.7
211.03993	1.7
211.13455	0.6
213.01851	0.6
216.04335	0.6
226.02696	1.1
227.03555	3.4
243.02975	11.0
244.03398	0.8
245.04521	1.2
254.02185	1.9
255.02965	27.8
256.03467	2.0
271.02451	55.1
272.02988	3.5
273.04047	1.2
283.02493	1.4
285.03998	1.4
299.01859	1.3
300.02725	100.0
301.03467	47.2
302.03815	2.6
344.17499	0.4
427.44580	0.5
463.08786	51.3
464.09030	3.7
473.20258	0.5
477.95816	0.5
504.68274	0.5
609.12427	76.0
610.12799	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	609.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.8
61.98827	1.4
63.02388	0.6
63.61115	0.3
65.00323	1.3
70.92661	0.9
71.01382	4.0
73.02950	1.1
83.01385	1.4
85.02973	2.1
85.03384	0.4
87.00851	0.7
88.98830	0.6
89.02454	1.8
95.01387	1.4
96.96011	1.0
97.02946	0.4
99.37621	0.3
101.02443	2.0
103.00376	0.6
107.01386	2.8
108.02164	1.2
109.02936	1.0
113.02444	3.5
117.03473	0.8
119.03498	0.6
119.05048	0.8
120.99730	0.4
121.02963	1.8
124.01708	0.4
125.02475	0.7
131.84184	0.4
135.00893	1.0
143.75510	0.4
145.02975	2.5
148.01685	1.3
151.00372	11.5
161.04623	0.6
163.00406	3.0
164.01151	0.9
167.03505	0.4
169.01387	0.5
178.99841	5.9
190.99942	1.0
192.00639	0.5
199.03917	0.9
200.66766	0.4
203.03459	0.3
211.03984	0.9
215.03418	0.6
216.04094	0.4
226.02690	1.0
227.03465	3.0
229.05101	0.7
238.53816	0.4
243.00450	0.5
243.02957	11.9
244.03403	1.1
245.04518	1.0
254.02206	2.4
255.02962	25.9
256.03403	1.7
271.02457	59.1
272.02921	4.5
273.03964	0.8
283.02386	1.3
299.01984	1.2
300.02734	100.0
301.03455	38.4
302.03851	1.7
343.04596	0.6
361.29480	1.4
380.19406	0.4
411.44501	0.4
417.11780	0.5
463.08780	50.3
464.09100	3.7
504.32776	0.5
505.33795	15.8
506.34100	0.7
523.34882	3.6
565.36060	1.8
609.12445	63.4
610.12781	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	609.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40884	0.4
59.01375	7.7
60.99296	0.8
61.98834	4.7
63.02421	0.6
65.00327	2.3
70.34655	1.9
71.01382	3.7
72.99323	0.7
73.02966	0.8
83.01401	1.8
85.02960	1.8
87.00887	1.2
88.98800	5.6
89.02461	1.7
93.03458	0.7
95.01386	0.6
96.96009	2.3
98.20625	0.5
99.00888	0.6
99.07329	0.5
101.02467	1.6
102.66553	0.4
107.01402	3.8
108.02197	1.8
109.02953	1.3
113.02446	1.6
117.03415	0.7
118.96215	0.5
121.02999	2.0
125.02455	1.1
135.00908	1.4
145.02922	2.7
148.01704	1.9
151.00363	13.7
158.90799	0.5
161.02441	0.9
163.00365	3.0
163.04039	1.0
164.01152	1.4
178.99847	6.9
187.03906	0.6
190.99896	0.8
192.00648	0.6
199.03914	0.5
211.03944	1.4
215.03589	0.9
226.02713	1.2
227.03529	4.2
228.04066	0.7
229.05000	0.9
241.18134	2.1
243.02975	11.9
244.03484	1.1
245.04616	1.3
254.02136	2.5
255.02975	30.4
256.03482	1.2
257.04562	0.6
271.02454	61.9
272.02945	4.3
273.03961	1.6
283.02588	1.1
284.03372	0.5
285.04068	4.1
299.01910	1.7
300.02731	100.0
300.73334	0.5
301.03458	43.1
302.03882	1.6
307.08340	0.5
341.02960	0.8
343.04440	0.6
415.97922	0.5
440.60114	0.5
445.07977	0.7
463.08789	57.4
464.09158	4.4
493.28104	0.7
503.31949	0.7
504.32321	3.0
505.33322	2.1
522.33679	1.4
523.33844	0.6
609.12457	55.5
610.12860	5.7
623.11212	0.6
624.07904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1454
Annotation	Rutine
Peak:m/z	Relative Intensity
63.02382	0.9
65.00313	1.3
69.32770	6.1
69.33104	1.5
79.09509	0.6
89.72733	0.6
104.29671	0.6
107.01386	3.7
108.02173	2.5
109.02943	1.9
113.24426	0.7
121.02940	2.3
129.55417	0.6
135.00906	1.5
148.01654	1.4
149.02470	0.9
151.00363	11.8
163.00377	2.8
164.01103	0.6
166.40489	0.7
178.99829	5.4
187.03941	0.9
190.99834	0.9
201.05518	0.7
210.92821	0.6
211.03833	1.1
215.03445	1.0
216.04146	0.9
226.02625	2.1
227.03494	4.2
229.04968	0.9
243.02951	12.5
244.03503	1.1
245.04440	1.1
254.02232	1.8
255.02957	31.6
256.03333	1.3
266.08884	0.7
271.02460	72.2
272.02902	5.1
273.03897	1.5
283.02460	0.8
299.01971	1.7
300.02737	74.0
301.03439	30.4
302.03781	1.4
316.27283	0.8
343.04443	0.8
609.14557	100.0
610.14856	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	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41986	0.2
59.01376	0.4
61.98812	0.2
66.80540	0.2
69.17836	0.2
69.33395	0.8
69.33814	0.6
78.95898	0.5
79.95734	3.3
86.62844	0.2
93.15193	0.2
96.96005	100.0
97.95927	0.3
145.53661	0.2
166.87903	0.2
222.62703	0.2
233.08980	0.2
255.02994	0.3
271.02402	0.2
292.74503	0.2
300.02722	0.5
301.03394	0.2
577.49713	0.2
609.14526	0.5
609.25281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.02535	0.4
57.03450	4.9
58.00588	0.8
58.23197	0.4
59.01377	53.9
60.99293	2.1
61.69823	0.4
61.98829	8.9
69.03448	1.4
69.40547	3.5
71.00997	0.9
71.01379	15.4
71.05009	0.5
72.99301	1.3
73.02944	4.9
75.00848	1.3
78.95470	0.8
78.95900	10.7
79.86320	0.4
79.95747	0.7
83.01385	4.0
83.05009	0.5
84.95057	0.5
85.02945	9.5
86.00108	0.6
87.00885	4.2
87.04517	1.7
88.00426	0.6
88.98804	11.4
89.02438	1.5
95.01398	2.7
96.96008	6.0
96.96983	1.3
97.02946	1.5
99.00883	2.7
101.02432	8.6
111.00872	1.9
112.01654	1.5
113.02446	7.2
115.04025	0.6
119.03477	0.9
120.99661	0.5
123.04494	0.8
123.08141	1.2
124.01601	0.7
125.02456	2.8
134.02513	0.4
135.08145	1.0
137.02315	0.5
139.11285	0.6
141.09244	0.7
141.12883	0.7
143.03490	1.5
143.10770	1.1
149.02406	0.5
151.00394	0.9
152.99556	5.8
153.09219	1.3
155.10706	0.7
157.12318	0.6
159.03012	1.3
161.02469	0.5
161.04544	1.9
163.11140	0.5
169.12354	0.9
171.13913	2.6
178.99890	0.7
187.13495	2.2
201.11346	2.6
201.15010	3.5
209.11833	7.8
213.15063	0.5
243.02995	0.7
255.02989	1.9
271.02493	3.6
285.04025	0.5
300.02701	5.6
301.00351	0.5
301.03403	2.6
315.25345	1.3
343.28674	0.8
359.28116	2.8
361.29599	9.7
362.30103	0.6
363.12112	1.7
381.13165	1.6
424.78894	0.5
457.31821	0.8
463.08859	1.4
464.33841	0.5
469.31885	0.6
475.32831	0.6
477.39880	0.5
505.33801	100.0
506.34061	7.2
523.34833	20.5
524.35046	1.9
549.28778	0.7
565.35944	8.8
591.25635	3.4
609.13947	4.6
609.27228	8.7
610.27197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03455	2.8
59.01377	41.5
61.98828	9.0
65.00345	1.1
69.03456	0.7
71.01379	17.3
71.05046	0.7
72.99316	1.3
73.02945	5.1
80.96526	0.8
83.01382	3.4
85.02950	8.6
87.00897	2.8
87.04525	0.7
88.98814	2.6
89.02438	6.6
95.01378	3.0
96.96021	6.9
97.02967	1.0
98.19930	1.8
99.00896	1.6
101.02444	8.5
107.01376	3.4
108.02196	1.5
109.02985	3.0
111.00884	0.7
113.02437	12.8
117.03439	1.0
119.03487	2.0
120.99648	0.9
121.02962	1.8
123.04524	1.1
124.01605	1.0
125.02429	2.5
131.03464	0.9
135.00885	1.2
137.02408	1.3
145.02977	2.4
147.56221	0.6
148.01659	1.3
149.02524	0.9
151.00352	12.2
161.02486	1.3
161.04541	2.0
163.00372	2.5
165.01884	1.0
169.01419	0.7
171.09296	1.3
178.99831	5.9
179.05557	1.2
187.04034	0.8
193.66725	0.6
201.14900	0.8
211.04057	0.7
211.13347	4.2
215.03500	1.3
216.04248	0.6
226.02823	0.8
227.01416	0.8
227.03429	3.7
229.05040	1.1
241.13412	1.0
241.53073	0.7
243.02939	10.4
244.03595	1.3
245.04515	1.8
254.02248	1.9
255.02965	24.6
256.03403	1.3
271.02451	52.4
272.02951	7.4
273.04144	1.0
285.04007	4.4
285.12509	2.2
289.07153	0.8
299.02051	1.4
300.02725	100.0
301.03427	41.2
301.06329	0.6
302.03891	1.9
315.25412	0.7
326.14639	0.7
343.04343	1.3
361.29623	3.8
397.13293	2.1
429.08157	0.7
463.08774	36.9
464.09119	3.7
489.19064	1.3
505.33807	53.9
506.34094	4.8
523.34827	11.2
524.35193	1.1
526.77789	0.7
549.28937	1.5
565.36249	6.7
609.13190	62.1
610.13568	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	611.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.1
61.98822	5.9
80.22786	3.0
83.87857	3.3
88.38457	3.6
96.96001	33.1
149.06020	5.5
167.07077	5.8
171.04478	4.6
180.93158	3.5
193.05022	10.2
253.12242	8.2
271.09854	3.7
297.11279	100.0
313.10660	10.9
347.96686	3.4
433.21420	3.6
627.19421	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	611.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76115	0.3
59.01376	100.0
60.01695	0.9
61.98824	0.8
62.38091	0.3
62.38455	0.3
70.04606	0.8
70.05003	0.7
71.01386	1.2
72.99323	0.4
73.02946	0.4
75.00854	0.5
79.95750	0.8
85.02965	1.1
87.00877	0.4
89.02441	0.5
96.96024	1.1
101.02450	0.6
102.15054	0.3
105.01953	1.1
113.02454	0.9
117.69180	0.3
124.07695	0.6
125.02419	0.3
131.03450	0.4
137.02461	0.4
161.04584	0.8
168.09843	0.3
221.06656	0.7
227.03561	0.3
243.96857	0.9
249.20572	0.3
256.03412	0.4
270.08868	0.8
285.04004	0.8
285.11389	1.2
286.04346	0.4
287.04596	0.5
287.14124	0.8
298.08566	0.5
299.09372	0.6
301.03302	0.5
302.03278	0.5
314.07974	0.7
324.10046	0.4
326.07996	0.6
329.10239	3.3
341.10236	3.1
344.12689	5.0
356.12616	2.0
359.14987	18.5
360.15424	1.7
371.14969	12.6
372.15430	1.1
389.16006	0.7
491.20163	0.5
611.15955	2.8
611.25659	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	611.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58305	0.4
51.24517	0.4
54.12387	0.4
54.34923	0.4
54.55343	0.5
59.29660	0.5
61.98806	0.6
69.33746	4.2
78.95898	1.8
79.95742	3.2
80.49033	0.5
93.57537	0.4
96.96004	100.0
96.96993	2.5
98.20662	0.9
100.26122	0.6
105.36938	0.4
118.96568	0.6
135.77235	0.4
142.15822	0.5
241.19214	0.5
262.46155	0.5
277.21732	1.1
313.21896	0.6
333.05179	0.6
351.05908	1.1
524.91919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01146	0.4
59.01371	4.7
61.98834	3.8
64.83672	0.5
67.01869	0.9
69.30418	3.4
71.01353	1.6
73.02892	0.5
75.00857	1.1
79.95738	11.6
80.96483	0.8
81.03445	1.0
83.01353	0.9
83.05001	0.6
85.02946	32.6
87.00864	5.7
89.02423	0.9
93.03456	8.0
95.01375	0.9
96.95997	6.5
97.02921	1.3
99.04486	0.7
108.02127	1.2
109.02956	4.9
111.04488	1.4
111.32708	0.4
113.02425	0.8
121.02917	2.0
122.03693	1.1
123.04497	3.2
125.02391	0.9
127.03999	4.8
133.02905	0.6
134.03682	1.4
135.04485	1.6
137.02426	3.4
139.03961	0.7
145.02904	0.9
146.03668	0.8
147.04526	0.6
149.02380	1.8
149.05969	0.7
151.03937	2.2
159.04518	1.0
161.02454	0.9
161.06007	1.3
163.03934	1.3
163.57462	0.6
164.01155	0.6
165.01892	2.4
165.05544	0.8
166.17075	0.4
173.04454	1.7
175.03946	0.6
177.01877	0.9
179.03462	0.9
180.07803	0.7
183.55635	0.5
187.03889	1.1
189.01819	0.6
189.59717	0.5
190.02657	0.5
191.03673	1.0
191.05588	18.8
192.05788	0.7
202.06229	0.9
203.07069	1.7
205.04958	1.4
213.05602	0.6
214.56329	0.6
215.07152	0.6
223.09634	1.0
227.07175	0.7
240.72150	0.5
245.08105	1.1
257.07788	0.6
269.08102	6.8
270.08423	0.8
271.09634	0.6
281.08063	1.4
283.09607	2.2
285.07550	0.6
289.07053	2.2
299.09152	5.9
301.07025	1.4
311.09274	6.9
314.11523	9.9
315.08548	0.9
315.11963	0.9
325.10660	1.6
326.07950	0.7
326.11551	10.0
327.08441	0.7
327.11728	0.8
329.13907	25.5
330.14041	1.3
333.24124	0.5
341.13892	12.7
357.13446	1.1
407.14752	0.8
451.14252	8.0
452.14270	1.1
492.28198	0.5
497.78723	0.6
503.19144	1.2
527.91107	0.5
583.14624	1.6
613.15869	100.0
614.16296	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	615.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19111	0.6
63.02415	1.1
65.00330	1.1
69.72240	2.2
69.72646	1.2
71.01376	1.5
72.34947	0.6
79.95741	2.9
83.01389	1.3
107.01383	4.5
109.02925	1.2
113.02493	0.7
121.02966	1.9
123.00854	3.5
125.02434	16.3
126.02841	0.7
151.00359	14.6
159.04482	0.8
163.00351	2.1
168.66878	0.6
169.01414	18.0
169.02832	1.3
178.99843	5.3
196.47836	2.4
199.04105	0.9
203.98982	2.5
211.02437	1.5
216.04181	0.6
226.02763	1.1
227.03545	2.2
229.05157	0.8
243.02972	8.3
243.96854	4.2
245.04491	0.9
254.02168	1.5
255.02983	22.4
256.03357	1.5
271.02432	45.4
272.03036	3.6
283.02496	1.6
297.97253	0.8
298.73071	0.7
300.02731	95.0
301.03470	34.9
302.03793	2.3
312.99930	1.0
313.05801	4.1
331.06726	1.0
388.90323	0.8
408.98862	0.9
463.08792	40.0
464.09042	3.2
615.09821	100.0
616.10089	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	615.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17030	0.5
59.01374	0.6
65.00323	0.9
68.62952	0.5
69.72267	2.7
71.01379	1.0
77.36763	0.5
81.16335	0.5
83.01385	1.1
84.62396	0.6
96.96024	0.9
98.19970	1.1
107.01390	4.3
108.02178	1.3
109.02888	0.8
111.00917	0.6
118.84267	0.5
121.02961	2.2
123.00915	1.0
124.91815	0.5
125.02444	11.4
132.11064	0.5
139.00401	0.8
148.01640	1.3
150.73328	0.5
151.00357	12.2
163.00356	1.8
164.01083	0.6
168.00731	0.6
169.01411	13.0
178.99881	7.2
187.04063	0.6
190.99805	1.1
193.01332	0.7
193.44362	0.5
199.04051	0.8
211.02411	0.8
211.04140	0.6
216.04245	0.6
226.02780	0.7
227.03473	2.4
229.05005	0.7
241.03575	1.1
243.02974	6.9
245.04483	0.6
254.02222	1.5
255.02965	22.3
256.03375	1.6
271.02444	41.6
271.63522	0.5
272.02927	4.1
273.04111	0.6
283.02405	1.9
299.01904	1.3
300.02747	99.7
301.03476	47.2
302.03888	2.2
313.05637	3.1
343.04572	0.6
463.08807	30.8
464.08807	2.5
615.09851	100.0
616.10199	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	615.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44350	0.5
57.03444	0.8
59.01376	3.1
61.98824	3.7
62.17395	0.7
67.01883	1.7
69.08094	0.6
69.60544	4.2
71.01382	1.6
79.95732	34.6
80.96514	4.3
83.01402	1.1
85.02945	16.2
87.00862	3.3
93.03451	10.8
94.98077	0.9
96.96003	24.1
101.02473	0.7
107.01414	1.7
108.02208	1.0
109.02951	5.1
111.04530	1.1
113.02439	0.9
114.90340	0.8
119.05034	0.7
121.02950	6.2
122.03741	5.7
123.04483	1.4
124.01704	0.9
125.02434	4.6
127.04031	2.5
135.04547	1.1
136.05298	0.8
137.02477	1.7
147.04514	2.7
148.05328	0.8
151.00366	3.0
161.02583	0.6
161.06073	2.7
162.06798	1.7
165.05550	10.3
169.01436	3.4
173.04536	1.7
173.05972	0.9
174.06876	0.8
178.99786	1.4
179.07126	2.5
191.05611	18.2
191.07314	0.9
192.05933	0.6
217.23386	0.6
243.03032	1.7
254.02299	0.6
255.02959	4.3
271.02380	8.3
271.04959	0.8
272.02933	0.9
289.07278	1.1
298.12033	2.0
300.02710	20.4
301.03442	9.3
313.05597	0.9
313.14517	3.7
315.12494	1.3
325.90051	0.7
328.13168	2.0
343.15485	7.2
346.14120	4.5
361.16537	30.5
362.16922	2.1
377.18137	0.6
393.10278	1.3
423.11121	7.4
424.11877	0.8
454.49991	0.6
463.08694	8.3
464.09421	1.3
489.72308	0.6
615.09558	12.3
615.17737	100.0
616.09906	1.6
616.18042	13.1
616.84351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16301	0.1
58.73310	0.1
59.01361	0.6
61.98827	4.1
65.00335	0.1
69.54678	0.9
71.01377	0.5
72.99283	0.1
73.02966	0.2
73.12960	0.1
75.00853	0.2
78.95900	0.8
79.95737	4.3
85.02960	0.4
86.45766	0.1
89.02456	0.2
96.96005	100.0
97.95953	0.4
99.00877	0.2
109.02975	0.2
113.02483	0.2
125.02434	0.4
131.05983	0.1
137.02449	0.1
151.00389	0.4
163.00403	0.2
169.01366	0.6
178.99867	0.2
191.05595	0.3
196.47786	1.0
196.97954	0.5
200.77962	0.1
203.99026	0.6
204.49286	0.2
243.03032	0.3
243.96754	1.7
244.46953	0.9
244.96753	0.4
255.02882	0.7
258.89597	0.1
266.48788	0.1
271.02393	1.2
276.56790	0.1
297.97540	0.2
300.02762	2.2
301.00333	0.2
301.03433	1.2
312.99896	0.6
314.00421	0.2
328.02136	0.3
329.02802	0.2
361.11288	0.2
361.61496	0.5
362.11700	0.2
463.09021	0.8
615.09363	2.4
616.10870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79137	0.1
59.01377	0.4
61.98817	0.3
69.23888	0.9
69.24302	0.5
71.01358	0.5
74.80892	0.1
75.00885	0.3
78.95913	0.8
79.73698	0.1
79.95734	3.1
83.01413	0.2
87.00864	0.1
89.02404	0.2
94.98083	0.4
95.95238	0.3
96.96007	100.0
101.02428	0.3
108.02087	0.2
109.02965	0.3
119.04996	0.2
123.04500	0.2
125.02448	0.2
137.02451	0.4
145.36340	0.2
161.06001	0.2
165.01826	0.2
175.38564	0.1
179.07349	0.1
195.06650	0.2
203.07155	0.4
205.05006	0.2
215.65421	0.1
245.08134	0.5
273.11661	0.5
289.07248	0.7
305.10693	0.2
328.46405	0.1
344.95734	0.1
435.10797	0.2
451.12381	0.5
453.11987	0.3
453.18057	0.4
477.13559	0.2
555.23218	0.2
615.23431	14.6
616.23871	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	617.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.3
69.24595	0.7
69.25006	0.3
71.01375	0.2
75.34303	0.1
77.13345	0.1
78.95896	1.0
79.95730	2.7
89.02458	0.1
96.96008	100.0
97.03029	0.1
97.95951	0.3
98.19850	0.2
98.95590	3.0
98.96416	0.4
99.00850	0.2
109.02969	0.2
113.02450	0.1
114.00436	0.1
121.02957	0.1
123.04523	0.3
125.02444	0.3
148.05278	0.1
149.02448	0.2
151.04028	0.1
165.05666	0.1
169.01471	0.2
177.01974	0.2
189.01921	0.1
205.05115	0.3
234.27576	0.1
289.07153	0.5
298.75336	0.1
307.12259	0.2
437.12363	1.3
438.12674	0.2
443.03397	0.1
617.11090	0.1
617.23914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98813	0.3
69.57698	0.1
71.01389	0.1
71.59274	0.1
76.72753	0.1
78.95906	1.0
79.95736	3.0
96.96012	100.0
97.95922	0.3
98.95594	0.8
98.96435	0.2
109.02938	0.2
115.22482	0.1
121.55604	0.1
123.04559	0.2
124.43853	0.1
125.02452	0.2
149.02422	0.1
151.04152	0.1
160.55060	0.1
165.01915	0.1
187.91107	0.1
205.05223	0.2
224.95116	0.1
232.11815	0.1
289.07196	0.3
341.06171	0.1
361.28116	0.1
363.79312	0.1
373.12988	0.2
419.17191	0.3
437.12415	0.6
449.57562	0.1
534.59131	0.1
617.23480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97430	0.2
59.01374	2.6
61.31138	0.2
61.98824	0.4
62.11263	0.2
64.14751	0.2
71.01382	2.6
72.99284	0.2
73.02953	0.5
73.10899	0.2
80.02679	0.9
81.03477	0.7
83.01412	0.6
83.05016	3.2
84.02183	0.7
85.02959	0.7
87.00898	0.7
89.02428	1.9
95.01382	0.3
95.05038	0.7
96.95985	1.7
97.06634	0.3
99.00884	0.5
101.02442	2.6
113.02470	1.2
119.03520	0.5
125.02513	0.3
125.06126	0.3
125.09725	1.0
127.11254	1.7
133.05002	0.3
135.08217	0.3
143.03554	0.2
145.05017	0.3
149.04634	0.4
153.09277	0.3
161.04556	1.3
163.11279	2.7
165.12820	1.6
171.10260	100.0
172.10605	3.1
179.05423	0.4
181.12317	0.3
191.10820	0.8
200.94858	0.2
209.11810	85.5
210.12155	3.5
227.12875	11.6
228.13182	0.5
235.08226	3.5
253.09265	7.7
254.09641	0.2
276.51489	0.2
407.19223	1.7
445.20731	1.0
617.30206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25007	0.7
55.16608	0.9
57.03433	2.9
58.00573	0.9
59.01375	18.6
61.98838	1.8
67.01886	1.1
67.20211	0.7
67.49961	0.9
68.99807	1.8
69.03442	2.7
71.00999	1.4
71.01381	20.4
71.59391	1.0
72.99301	7.9
73.02942	2.8
75.00865	18.5
79.95732	3.6
80.23189	0.8
81.03470	1.2
83.01357	2.3
85.02442	1.6
85.02946	22.3
87.00872	9.3
88.98810	0.9
89.02445	5.2
89.20975	0.9
91.03991	1.1
93.03492	1.7
95.01380	6.1
96.96008	56.2
97.02973	1.0
97.95918	0.9
98.95589	8.7
98.96365	1.8
99.00880	12.9
99.15230	0.9
101.02430	2.3
103.00330	1.7
109.02959	2.4
111.00884	2.4
111.04538	1.0
113.02447	25.6
115.00342	3.2
117.01941	4.0
121.02940	7.8
121.37076	0.9
123.00872	0.9
123.04527	0.9
125.02427	3.0
127.04108	1.0
129.01950	1.9
135.04561	1.6
137.02396	1.9
142.51257	0.8
147.00932	0.9
147.04489	1.2
149.02435	41.6
150.03261	5.4
151.03966	1.5
153.05511	1.4
155.92265	0.8
157.01453	1.4
161.02501	1.1
163.03996	2.0
164.04784	51.8
165.05568	5.9
169.01482	1.6
175.00354	1.6
175.02411	3.8
175.03867	1.2
176.01114	2.7
179.07126	21.3
190.02711	6.1
191.03452	3.2
193.01396	1.6
194.02386	0.8
195.06670	1.6
205.05058	8.6
207.05052	1.1
208.03746	5.5
209.04526	5.1
222.05403	1.1
223.06088	33.1
224.06332	1.0
231.05162	2.1
245.08290	0.8
249.04222	1.2
249.06131	32.9
250.06480	0.9
267.07199	29.1
282.07391	1.6
283.08307	1.6
289.07190	2.0
297.09857	2.7
369.11771	3.1
411.12973	2.4
429.13885	2.2
455.11823	10.4
473.12961	86.6
474.13303	7.1
497.14206	0.9
619.18573	100.0
620.18909	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	619.2558
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
65.45655	0.7
78.06853	0.8
78.95926	1.9
105.43628	0.7
119.82208	0.7
129.19806	0.7
139.59453	0.7
176.84364	0.8
189.89775	0.8
203.30034	0.8
255.23312	1.2
284.94772	0.8
401.13986	2.5
415.15356	3.7
416.16425	12.9
417.16827	2.1
429.17355	1.3
430.18057	3.5
431.18591	1.7
434.17401	1.0
444.15802	1.6
445.16635	1.2
458.17538	1.5
459.18216	99.6
460.18646	11.5
473.19885	15.8
474.20587	6.7
487.17435	1.1
501.19556	2.1
503.17239	3.1
512.18634	1.5
517.19037	2.2
518.19543	49.1
519.19763	7.4
527.20764	1.0
532.21069	7.4
533.21881	87.4
534.22211	11.8
540.15692	1.0
587.23029	7.4
588.23206	1.4
619.25549	100.0
620.25928	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	619.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84788	0.6
58.21098	0.6
61.98832	1.2
68.77984	0.6
69.91558	2.6
78.95901	100.0
81.03437	0.8
83.05014	2.0
90.08076	0.6
96.96956	9.7
134.98572	1.0
137.22629	0.6
150.98012	1.3
151.46613	0.5
152.99577	60.4
153.99904	0.9
163.11319	2.2
165.12830	1.0
171.00589	1.2
209.11810	31.2
210.12122	0.7
227.12917	5.5
239.85907	0.6
255.23283	86.8
256.23621	5.8
363.12198	11.6
364.12094	0.9
381.13007	1.1
391.22534	23.8
392.22836	1.5
409.23572	13.0
410.23798	1.4
452.32813	0.6
520.46826	0.6
540.35175	0.7
619.36072	58.1
620.36481	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	621.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42785	0.7
54.50497	0.6
59.01372	2.1
67.01853	0.6
68.71024	0.7
69.64500	4.3
71.88971	0.6
85.12247	0.5
95.01351	0.8
95.98666	0.6
106.58927	0.7
109.02943	1.8
111.17322	0.7
120.24604	0.6
123.00861	1.5
125.02486	0.8
137.02448	10.1
139.04097	0.9
149.02455	1.4
151.00372	17.6
151.03957	1.2
152.01140	1.2
152.04784	1.1
165.01880	1.2
166.02708	59.7
167.03354	3.8
168.87619	0.6
171.68405	0.8
175.04024	1.5
177.01898	2.1
179.03476	0.7
181.05061	69.7
182.05363	2.9
184.03804	0.9
190.06290	1.3
191.03496	1.2
192.04265	0.9
193.05028	0.8
205.05016	1.2
205.08646	1.0
206.05695	0.9
207.06525	1.2
253.42404	0.8
300.02719	1.2
359.11392	1.0
387.10843	14.3
402.13162	7.5
402.51022	0.7
403.13495	0.8
417.15509	100.0
418.15860	9.8
561.20380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17538	0.8
55.01859	1.0
57.03442	1.3
57.62113	0.8
58.00573	0.9
59.01376	100.0
60.01697	0.8
61.98804	0.8
67.63322	0.8
69.03453	1.4
70.74061	1.7
70.74406	1.1
71.01377	37.1
71.01775	1.9
72.99290	1.7
73.02945	13.2
75.00863	3.4
83.01374	3.5
85.02940	14.2
87.00883	3.5
89.01926	1.6
89.02442	23.8
95.01404	5.1
96.96004	14.0
98.95631	0.8
99.00849	2.6
101.02444	20.6
109.02930	1.0
112.55043	0.8
113.02447	28.8
117.01979	0.8
119.03494	7.6
125.02433	2.0
131.03467	1.1
143.03490	2.4
161.04565	5.9
179.05630	4.8
249.06026	3.1
267.07135	6.3
289.07220	2.0
294.84302	0.9
345.53580	0.8
412.08765	0.8
429.17548	2.3
473.16611	11.4
474.16730	1.8
517.26501	67.9
518.26825	8.1
535.27588	31.1
536.28143	4.2
577.28503	8.3
621.20306	7.8
622.21442	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	621.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70042	0.4
57.03436	1.4
58.00597	0.4
59.01376	9.2
61.98819	2.2
66.96908	0.4
67.01872	0.4
69.42370	0.4
71.01373	6.9
71.60256	0.4
72.99312	2.2
73.02953	1.5
75.00867	5.9
78.26862	0.5
78.95908	0.5
79.95735	3.8
83.01356	0.5
85.02942	7.4
87.00881	2.1
88.98809	0.6
89.02453	1.8
92.12640	0.5
93.03461	0.7
95.01365	1.9
96.96006	100.0
97.06570	0.8
97.95928	0.8
98.95585	5.8
98.96456	0.8
99.00879	3.3
101.02416	2.1
113.02446	6.4
114.93412	1.7
115.00390	1.5
115.92117	0.4
116.92862	0.8
117.01915	0.8
125.02448	0.6
125.09687	0.7
132.09221	0.5
135.04495	0.6
137.02435	0.6
139.11261	0.9
151.00290	0.6
151.04050	0.8
154.13654	0.4
155.10797	0.6
161.04558	0.5
169.01299	0.6
171.10289	0.7
175.02518	0.5
179.05626	0.7
185.11797	3.3
195.06523	0.5
201.11340	0.6
214.12083	0.8
215.12872	0.4
224.84254	0.4
243.15961	0.6
249.06122	3.6
311.22168	0.5
341.23221	2.3
353.23352	0.5
369.22290	0.6
371.24353	17.3
372.24777	0.9
372.36197	0.5
373.25864	3.4
433.85504	0.7
519.50446	0.5
537.67352	0.5
539.61566	0.5
561.28912	0.8
577.32294	5.1
621.31329	56.5
622.21814	0.4
622.31512	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	623.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05338	0.3
59.01367	1.5
69.24518	2.5
70.24279	0.3
71.01382	0.5
73.02934	0.3
74.15073	0.3
85.02956	0.5
88.06250	0.3
91.58954	0.3
94.74178	0.3
95.90037	0.3
96.96022	0.6
101.02461	0.3
102.75100	0.3
109.02921	0.4
136.01537	0.4
137.02422	2.8
139.00331	0.6
145.02917	1.5
147.04507	1.1
151.00339	0.4
151.03992	3.4
152.04756	0.8
153.01927	0.5
158.03696	0.6
161.02394	0.6
161.06082	0.4
162.03214	0.8
163.04015	3.2
165.01952	0.4
166.02675	0.7
166.06361	0.6
167.03462	0.5
167.07149	0.4
173.02449	0.5
174.03171	2.2
175.03989	11.4
176.04749	2.6
177.05508	1.5
179.03421	0.8
180.04286	5.3
181.05069	0.7
188.04770	2.8
189.05559	5.5
190.06328	14.9
191.03456	0.5
191.07118	11.0
192.04269	1.1
193.05028	5.9
194.05833	4.9
198.05312	0.4
199.03885	0.4
203.07079	1.7
205.08672	14.3
206.08986	0.5
207.06593	5.4
208.05394	0.6
208.07384	11.8
209.07646	0.6
222.08958	3.0
223.09721	1.0
227.03586	0.6
243.02960	1.9
251.14096	0.3
255.02835	1.7
271.02487	3.8
272.03082	0.5
285.03998	0.7
299.01938	3.6
300.02731	3.3
314.04327	3.6
315.05066	9.9
315.81277	0.3
316.05231	0.6
359.11279	0.7
374.13599	2.7
389.16025	100.0
390.16364	7.8
419.17087	3.8
420.17105	0.5
451.53995	0.4
563.21539	0.9
623.16016	9.9
623.23358	0.6
624.16541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10400	0.2
59.01367	1.0
69.28964	2.0
71.01381	0.3
79.95721	1.1
82.95425	0.2
84.18884	0.2
89.02441	0.3
91.30237	0.2
96.33092	0.2
96.96011	0.5
98.20659	0.6
98.79822	0.2
99.92621	0.3
101.02446	0.3
104.87709	0.2
109.02921	0.4
116.92854	2.5
117.01919	0.3
123.04497	0.3
136.01631	0.2
137.02434	3.2
138.03197	0.4
139.00339	0.6
145.02937	2.4
147.04492	2.1
151.03989	3.8
152.04724	0.7
153.01926	0.6
153.05605	0.4
158.03679	0.3
159.04442	0.4
161.02428	1.0
161.06038	0.5
162.03218	0.7
163.03993	4.6
163.05367	0.3
164.04677	0.4
165.01912	0.6
166.02620	0.4
166.06378	0.8
167.03470	0.5
173.02451	1.1
173.06058	0.4
174.03210	2.6
175.03984	15.0
176.04752	3.3
177.05557	1.7
179.03485	1.0
180.02673	0.4
180.04272	7.2
181.04979	0.4
188.04779	3.3
189.05557	6.1
190.06340	18.6
191.03494	0.8
191.07114	12.9
192.04288	0.9
192.07597	0.5
193.05038	7.7
194.03168	0.3
194.05818	6.6
195.06386	0.4
196.47916	0.3
198.05330	0.3
203.07123	2.3
203.99025	0.6
204.07716	0.4
205.08667	16.3
206.05832	0.4
206.09018	0.9
207.06592	6.5
208.07375	12.1
209.04507	0.3
209.07793	0.5
222.08934	2.5
223.09709	1.0
243.96835	1.1
244.46893	0.3
244.96785	0.4
296.36945	0.2
312.99911	0.5
329.10031	0.3
344.12793	0.5
357.43536	0.3
359.11276	0.8
374.13647	2.9
389.16025	100.0
390.16342	8.6
411.56302	0.2
419.17142	3.3
420.17496	0.3
533.20062	1.4
623.22424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55689	0.4
59.01375	100.0
60.01724	0.6
61.98837	1.1
69.28397	3.6
71.01376	1.5
75.00865	0.7
75.49740	0.4
85.02962	0.9
88.98755	0.4
89.02444	0.5
90.01729	0.4
92.93887	0.4
93.03417	0.6
96.96011	1.1
98.19855	0.7
99.00877	0.6
101.02436	0.9
109.02938	0.4
113.02459	1.1
116.92861	1.4
133.48595	0.4
139.27496	0.5
139.28595	0.4
145.02953	0.9
161.04459	0.5
222.06853	0.5
224.04741	0.6
241.08580	0.6
255.10275	1.7
266.05679	0.5
269.11783	0.6
270.12537	0.9
282.09210	0.5
283.09705	7.6
284.10260	0.9
295.09766	1.2
296.10538	0.9
297.11197	0.6
298.12189	1.9
299.01913	0.4
309.11093	0.5
310.12064	0.7
311.09219	25.8
312.09601	1.8
325.10733	4.0
326.11533	26.1
327.11908	1.7
341.13892	85.2
342.14206	6.1
373.25873	1.1
519.31012	0.5
623.16827	0.6
623.33398	4.1
624.32947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90142	1.0
59.01391	4.9
61.98822	3.7
70.97861	2.6
71.01378	2.8
74.57771	1.0
78.95899	100.0
80.02679	2.7
81.03439	1.2
83.01399	1.6
83.05033	8.7
84.02172	1.2
85.02936	1.2
93.79215	1.0
95.04983	1.3
96.96001	4.2
96.96949	9.2
116.92876	5.9
120.99650	2.9
125.02468	1.6
152.99577	55.0
163.11305	6.9
165.12863	3.9
191.10693	1.2
209.11816	93.5
210.12213	4.0
225.11726	1.0
227.12906	8.7
312.99927	2.8
363.12140	28.0
364.12387	1.7
381.13223	7.8
395.14682	9.2
413.15823	2.8
591.25708	51.7
592.26337	5.5
605.12848	1.2
623.11444	2.1
623.28333	44.4
624.29041	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02733	0.4
55.01867	0.5
55.12587	0.3
57.03442	1.5
58.00587	0.8
59.01376	9.5
61.98819	1.1
68.99827	0.6
69.03434	0.5
69.27512	1.2
71.00997	0.6
71.01376	7.9
72.99304	3.6
73.02931	1.8
75.00867	8.9
77.31657	0.3
83.01377	0.8
84.02171	0.6
85.02440	0.7
85.02944	9.9
87.00871	4.2
87.04482	0.5
88.98794	0.6
89.02441	2.2
93.03463	0.6
95.01364	2.6
96.95995	4.2
97.06550	0.4
97.60113	0.3
98.95583	2.9
99.00875	4.5
101.02435	1.3
103.00341	1.5
105.55734	0.4
109.02959	0.5
111.00887	0.4
113.02441	10.1
114.59743	0.3
115.00360	1.2
116.92849	1.1
117.01920	1.4
121.10250	0.7
123.04595	0.4
125.09727	0.7
127.11256	0.4
129.01917	0.6
137.09682	0.4
139.11284	0.9
141.12869	0.7
146.54916	0.3
155.10652	0.4
157.01424	0.3
157.12291	1.1
169.12296	0.8
171.13869	0.4
175.02431	1.2
185.11847	2.9
213.11227	0.4
215.12842	5.4
231.04970	0.8
247.34853	0.4
249.06123	6.1
255.17392	0.4
313.23703	0.9
325.23712	0.7
327.25592	0.4
327.93295	0.3
341.23322	0.5
343.24811	5.8
345.65710	0.3
355.24863	1.9
371.24417	0.7
373.25900	36.1
374.26227	2.5
375.27393	0.9
411.36633	0.4
503.32047	0.7
579.33728	1.2
605.32001	1.2
623.32776	100.0
624.33130	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	623.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80590	0.3
51.35312	0.3
51.94035	0.3
55.01866	0.4
57.03445	1.6
58.00594	0.4
59.01105	0.6
59.01376	6.4
60.99303	0.7
61.98835	2.7
69.03452	0.5
71.01385	3.4
72.99306	0.7
73.02941	1.5
74.02457	0.8
75.00868	0.8
79.95721	0.4
82.53378	0.3
83.01389	0.4
83.56385	0.3
85.02950	2.2
87.00837	0.7
87.04497	0.9
88.98811	3.5
89.02459	1.7
91.85876	0.3
93.03465	0.4
95.01376	0.5
96.96017	3.4
97.02948	0.4
97.06568	0.6
98.95605	0.5
99.00864	0.8
99.04452	0.3
101.02442	2.3
109.06575	0.4
111.04456	0.4
113.02492	1.8
116.92849	0.5
117.01757	0.3
119.03470	0.5
120.99577	0.3
123.04534	0.6
123.08152	0.9
125.02432	1.2
125.09703	0.4
134.77000	0.3
135.04533	0.4
135.08188	0.4
136.99123	0.3
137.02414	0.6
139.11281	0.5
141.12817	0.4
149.04596	0.4
151.03992	0.4
153.09195	0.7
155.10738	0.4
157.12343	1.4
161.04520	0.7
165.01884	0.3
169.01349	0.3
169.12308	1.0
179.10770	0.6
181.12354	0.3
185.11794	2.0
187.13338	0.3
215.12833	0.9
220.18681	0.4
223.24167	0.3
230.14909	0.4
249.06006	0.5
257.08069	0.5
267.10886	0.4
281.06628	0.4
293.21213	0.4
311.22162	0.7
327.21710	0.4
327.25446	0.4
329.23395	2.6
355.24866	0.5
357.26498	4.9
358.26685	0.8
359.23364	0.4
373.25922	3.3
374.26016	0.5
375.27478	100.0
376.27786	8.4
389.29276	1.4
417.28601	1.9
503.32108	1.1
509.22800	0.3
579.33612	0.9
623.33893	3.0
623.70654	0.4
624.33075	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	624.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
68.97986	0.4
71.59341	0.9
74.59288	0.4
76.67531	0.4
82.15778	0.4
84.09678	0.4
106.61105	0.4
137.29791	0.5
155.06212	0.5
160.40668	0.5
162.65460	0.4
178.29790	0.4
211.70203	0.5
233.49557	0.4
250.05042	0.5
300.09561	0.5
363.94080	0.5
369.83539	0.6
428.70322	0.5
584.15924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
60.69781	0.3
61.98827	100.0
70.42278	0.4
70.42623	1.4
88.09525	0.3
91.57165	0.5
95.99834	0.4
107.10999	0.4
119.71973	0.4
128.43706	0.4
256.76428	0.5
466.87326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.8
59.22198	0.5
59.77788	0.5
63.02382	0.9
65.00315	2.1
70.48094	0.7
70.48470	0.9
71.01372	0.7
71.27567	0.5
71.98650	0.5
83.01399	1.4
85.00519	0.5
85.02972	0.5
91.01859	0.4
96.96011	1.8
98.19960	0.8
101.02518	0.5
104.70620	0.5
107.01392	4.0
108.02142	1.0
109.02936	1.8
121.02919	2.5
124.01762	0.5
125.02377	0.7
135.00899	1.3
141.27373	0.4
148.01672	1.7
151.00356	14.5
152.01047	0.6
159.04527	0.6
163.00389	3.3
164.01134	1.3
165.01900	0.6
178.99844	8.3
190.43199	0.5
190.99879	0.5
192.00694	0.5
199.03902	0.6
211.04018	1.2
226.02690	1.2
227.03534	2.6
229.05186	0.7
243.02963	8.1
244.03607	0.9
245.04620	0.9
254.02080	2.8
255.02971	23.9
256.03406	0.9
266.02130	0.6
271.02457	54.6
272.02951	4.7
273.04062	1.3
283.02399	0.6
299.01859	2.6
300.02731	91.0
301.03476	40.0
302.03860	2.5
316.02158	2.0
317.03043	0.6
343.04718	0.6
421.18680	0.7
463.08731	2.3
518.26837	0.5
625.14032	100.0
626.14392	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25283	0.5
52.27909	0.5
59.01360	1.1
61.98811	0.8
63.02394	0.9
65.00320	2.7
69.49590	4.5
71.01369	0.9
83.01389	1.4
89.02469	0.9
93.03439	0.6
96.95999	1.1
101.02431	0.9
107.01393	4.2
109.02937	1.0
121.02953	4.3
149.02280	0.5
151.00356	24.8
152.00766	0.7
163.00368	1.6
164.01085	0.7
169.01411	0.7
178.99849	9.7
196.79976	0.6
226.02669	0.6
227.03439	1.0
243.03043	4.2
245.04620	0.6
254.02080	0.9
255.02963	13.2
256.03339	1.1
271.02438	31.0
272.02966	2.0
273.04053	0.9
299.02005	5.4
300.02722	66.2
301.03482	75.6
302.03787	3.9
307.12137	1.0
343.04388	0.6
391.13980	0.6
463.08768	100.0
464.09067	7.4
475.91635	0.7
625.13776	5.2
625.24139	0.8
625.73828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64059	0.3
57.03439	2.1
58.00599	0.4
58.79469	0.4
59.01376	14.1
60.01701	0.6
60.99299	0.4
61.98828	21.7
69.03419	0.5
69.25861	0.4
69.26187	3.9
71.01382	8.3
72.99305	3.4
73.02937	1.6
75.00463	0.6
75.00870	9.5
75.44077	0.4
83.00128	0.4
83.01366	0.6
85.02946	10.5
87.00864	3.0
87.04533	0.8
88.98804	1.5
89.02439	2.7
89.60867	0.4
91.32778	0.4
95.01390	2.5
96.96011	3.5
97.06593	0.5
99.00881	5.4
100.31386	0.4
101.02429	1.5
103.00367	1.3
109.02958	0.3
110.35749	0.4
111.00891	0.5
113.02445	11.2
113.03254	0.5
115.00378	1.1
117.01904	1.5
118.95119	0.3
119.00014	0.3
121.03008	0.4
123.08141	1.0
125.02390	0.6
126.20129	0.4
129.01909	0.7
137.02457	0.6
139.11284	0.7
141.09253	0.4
141.12880	0.6
143.03545	0.4
145.02893	0.6
151.00308	0.5
153.09151	0.7
154.42915	0.4
157.12326	1.2
169.12413	0.8
175.02454	1.3
183.13902	0.7
185.11803	1.7
205.07178	0.5
215.12875	0.7
231.04988	0.8
249.06129	7.2
250.06462	0.4
267.07184	0.8
300.02689	0.9
301.03403	0.6
326.11459	0.8
327.25458	0.6
328.11938	0.6
329.23218	2.0
341.13943	1.3
342.14301	1.2
343.14581	2.0
357.26489	3.1
373.25928	1.7
375.27478	45.9
376.27792	3.3
403.23395	0.8
463.08743	0.5
521.33313	3.2
541.56470	0.5
607.33093	0.6
625.34406	100.0
626.34753	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	626.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98540	0.3
56.02201	0.3
57.03440	1.6
59.01068	0.5
59.01376	10.0
60.01725	0.4
61.98828	100.0
68.99832	0.5
69.03444	0.5
70.44034	1.2
71.01379	5.9
71.01725	0.5
72.01726	0.6
72.99320	2.5
73.02953	1.2
75.00866	4.9
76.01192	0.4
83.01376	0.4
85.02948	6.1
86.03304	0.6
87.00880	2.3
88.98814	1.0
89.02448	1.7
93.03449	1.1
95.01373	1.6
96.96015	2.5
97.02976	0.3
97.06577	0.4
99.00889	2.8
101.02444	0.9
103.00380	0.8
113.02444	5.9
114.02815	0.4
115.00357	0.6
117.01921	0.8
117.62281	0.4
121.02876	0.4
123.08149	0.4
125.02480	0.6
125.09693	0.4
129.01915	0.4
135.04582	0.5
135.40125	0.3
137.02446	0.4
139.11349	0.5
141.43146	0.3
145.02957	0.4
149.06055	0.4
151.00331	0.7
151.03874	0.4
152.00745	0.4
157.12372	0.4
161.04596	0.5
166.06319	0.6
171.04604	0.5
175.02428	0.5
181.08723	1.0
185.11880	0.4
231.05051	0.4
249.06128	3.8
250.06422	0.7
253.75107	0.4
284.03098	0.4
285.04013	0.9
287.05450	0.4
300.02728	0.5
301.03174	0.7
302.03723	0.7
305.61969	0.4
311.09103	0.4
327.11722	0.4
328.12225	0.4
329.23392	0.6
342.14236	1.0
343.14594	1.1
344.14816	0.4
354.72440	0.4
357.26645	1.6
358.27008	0.7
373.25577	0.6
374.26416	0.6
375.27481	15.7
376.27820	10.3
505.33432	0.7
506.34464	0.6
625.34357	28.9
626.34735	35.1
627.35748	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	626.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87717	0.2
59.01376	0.3
61.98827	100.0
70.75149	0.3
70.75461	0.2
89.02432	0.2
96.96001	1.3
98.19997	0.3
100.31789	0.2
101.02421	0.3
108.13559	0.2
112.10647	0.2
146.41493	0.2
263.52179	0.2
271.02646	0.3
272.02914	0.4
299.01987	0.2
300.02621	0.4
301.03320	1.0
302.03876	0.6
307.12277	0.9
309.22736	0.2
375.60184	0.2
413.82993	0.2
464.09140	0.9
566.24518	0.3
627.15802	0.2
627.39398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.60435	0.3
69.68370	1.9
86.35257	0.3
91.38998	0.4
173.96046	0.4
200.15771	0.4
376.49490	0.4
380.39832	0.4
496.35590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14505	0.6
58.99600	19.8
59.01377	5.9
60.99294	1.9
61.98823	1.6
65.51069	0.7
71.01372	1.7
71.61281	0.8
71.61803	0.7
74.75314	0.7
74.99106	3.2
85.02959	0.9
87.00845	0.9
88.98808	13.8
89.02429	1.4
93.72921	0.9
96.95992	4.1
97.02901	1.1
99.00907	1.1
101.02415	1.0
102.98591	100.0
103.98948	0.8
109.02961	1.0
113.02460	0.9
120.99651	56.2
121.99959	1.0
125.02524	0.9
145.02901	1.8
151.00426	0.9
163.00670	6.5
165.05585	0.9
179.07300	0.7
191.03688	0.7
193.03255	0.7
211.04318	2.0
212.74277	0.8
231.31593	0.9
241.92804	0.8
271.02429	1.3
289.06982	0.8
299.05777	0.9
300.02661	3.9
301.03561	4.1
310.19162	0.9
463.08896	3.2
522.33746	0.9
523.34308	1.2
537.19696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02618	0.9
57.03437	1.6
58.00584	4.4
59.01377	99.8
60.01693	1.8
61.98825	2.6
63.76941	1.0
71.01379	70.2
71.59501	1.8
72.99303	5.6
73.02927	2.6
79.95732	4.3
83.01382	1.4
85.02946	10.8
87.00868	5.5
88.38372	1.0
88.98803	9.1
89.02439	100.0
90.02785	1.4
95.01423	5.6
95.01933	1.1
96.96008	24.8
99.00853	1.3
101.01789	1.9
101.02436	32.8
112.98624	0.9
113.02443	28.1
119.03497	36.4
123.00819	1.6
125.02438	5.5
131.03496	4.2
137.02449	1.7
137.21698	1.0
143.03503	10.5
149.02469	1.9
149.04501	3.9
150.03220	2.0
151.00305	3.7
161.02499	1.3
161.04556	12.2
163.00310	1.1
169.01382	4.7
174.03099	1.3
178.99872	1.7
179.05597	55.2
180.05853	1.2
182.05794	1.8
196.47772	1.5
197.08138	1.5
227.03455	4.4
229.05020	1.8
243.02974	1.9
243.96744	3.8
251.83302	1.1
255.02925	12.9
262.99158	1.0
271.02432	9.7
272.02826	1.6
284.03247	11.6
285.04025	13.7
291.12860	1.9
300.02673	17.5
301.03397	4.6
310.65021	1.0
312.99698	1.7
314.00415	1.2
329.10925	1.1
334.19406	1.0
365.46576	1.3
377.48196	1.1
407.17178	1.5
539.21075	3.0
593.06207	1.5
593.15070	22.0
594.15668	1.9
629.11188	18.6
629.21155	2.1
630.11658	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.3
55.01877	1.1
57.03448	5.3
58.00601	0.3
59.01370	4.5
60.99254	0.3
61.36433	0.3
61.98830	1.1
67.01888	1.6
68.99813	2.3
70.09054	0.3
71.01377	24.0
72.99314	2.2
73.02934	2.3
75.00884	0.7
78.14064	0.3
80.96551	0.3
83.01382	6.7
84.99322	0.7
85.02949	5.8
87.00867	3.9
88.98815	0.4
96.96019	0.9
96.99322	0.6
98.20745	0.8
99.00875	32.8
100.01212	0.8
101.02428	1.4
104.52176	0.4
111.00875	16.7
112.01227	0.4
112.98803	100.0
113.99128	1.2
115.00358	5.6
124.98771	1.9
127.00396	2.0
129.01929	5.5
130.99852	0.7
138.36604	0.4
140.98245	0.5
142.99852	28.7
144.00240	0.5
145.01416	8.6
173.00894	75.0
174.01561	3.6
175.02483	0.9
191.01939	1.0
425.30447	1.1
441.33615	4.8
457.36832	19.3
458.37283	2.3
465.34351	0.5
539.54889	0.4
571.36334	0.8
573.09875	0.4
631.38623	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	631.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
54.09937	0.4
55.01869	1.3
56.99814	0.7
57.03448	7.1
59.01375	8.1
60.99314	0.7
62.46063	0.4
67.01888	2.1
68.99811	3.3
71.01378	34.8
72.01708	0.4
72.99289	3.1
73.02950	2.8
75.00866	2.0
83.01377	11.2
84.99313	0.7
85.02942	8.4
87.00869	13.4
88.98759	0.6
89.02435	0.6
96.99311	0.9
99.00874	33.5
100.01244	0.4
101.02417	2.1
103.00378	0.9
111.00875	24.6
112.98803	98.5
113.99132	1.6
115.00361	8.5
115.01134	0.6
116.00784	0.5
117.01994	0.4
124.98803	4.7
127.00378	2.6
129.00967	0.7
129.01930	13.0
130.99857	1.1
140.98328	1.1
142.99852	73.1
144.00203	1.7
144.42261	0.4
144.50275	0.4
145.01416	12.6
147.02974	3.7
173.00897	100.0
174.01657	10.7
175.02444	2.7
191.01974	5.6
214.78326	0.5
229.26141	0.6
264.25610	0.4
315.71552	0.4
411.32919	0.5
425.29849	0.6
425.34821	0.8
441.33676	5.7
442.34161	0.5
457.36792	18.3
458.36945	2.0
469.33124	1.0
490.05075	0.4
631.38403	13.5
632.38977	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	633.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96703	0.5
52.38860	0.6
59.01397	0.7
64.85048	0.7
70.16445	2.3
71.01380	0.8
85.02965	1.2
88.17986	0.6
95.01377	1.7
95.40681	0.5
96.95971	1.1
98.19961	0.7
107.01368	2.7
119.05023	0.9
123.00879	4.6
125.02431	14.1
131.04958	0.8
133.02986	0.9
135.78743	0.6
145.02969	1.5
147.04492	1.8
157.02956	1.6
159.04517	2.7
161.02431	1.0
169.01411	9.7
173.02467	2.8
175.04019	4.4
177.01886	1.1
177.05685	0.9
185.02394	3.8
187.03957	1.3
189.01888	0.8
190.02689	0.9
191.03481	1.6
193.01398	0.8
201.01875	3.4
203.03484	9.0
213.01962	1.7
214.02594	0.8
217.01399	1.7
219.02919	0.9
221.04645	0.9
229.01378	9.4
230.02011	0.9
231.02963	11.5
245.00940	2.3
247.02458	2.0
249.04019	21.3
250.04361	1.0
257.00888	9.0
258.01514	3.5
259.93747	0.6
273.00311	2.1
274.01022	1.1
275.01956	40.2
276.02246	2.6
283.99551	3.0
299.99265	2.9
300.99863	100.0
302.00168	7.1
349.48337	0.6
426.47913	0.6
463.05054	1.0
481.06174	6.1
515.14197	0.8
633.07251	73.7
634.07684	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	633.073
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
55.52307	0.2
56.73410	0.2
56.75300	0.2
59.01378	0.5
63.57516	0.2
67.01888	0.3
67.35113	0.2
67.80473	0.2
70.28367	0.5
70.28748	0.4
71.01390	0.7
74.55380	0.2
83.88934	0.2
85.02962	0.3
87.00899	0.2
95.01385	1.5
96.96004	3.4
101.02447	0.4
107.01389	0.7
111.00896	0.2
113.02397	0.2
117.03448	0.4
119.05024	0.7
121.02958	0.2
123.00893	2.7
124.01649	0.4
125.02447	4.2
129.03499	0.3
131.05043	0.3
133.02954	0.6
133.48427	0.2
137.02452	0.3
139.00372	0.5
145.02919	2.1
147.04507	1.0
149.02435	0.4
151.00381	0.2
151.03999	0.3
157.02975	0.7
159.04510	0.8
161.02467	0.4
163.03970	1.3
165.01894	0.2
166.99814	0.4
168.00641	0.3
169.01453	2.9
173.02419	2.2
175.03993	1.4
177.01945	0.7
179.03598	0.2
185.02435	3.1
186.02972	0.2
187.03951	0.9
189.01872	0.6
190.02751	0.6
191.03479	1.0
201.01924	4.1
203.03496	3.6
203.05362	0.4
205.05011	0.4
211.02524	0.4
213.01942	1.0
214.02617	0.2
217.01405	0.6
219.02971	0.7
226.99870	0.6
228.00645	0.3
229.01398	7.5
229.05078	1.0
230.02000	0.3
231.02983	3.4
245.00931	2.5
247.02469	1.1
249.03993	3.9
254.99248	0.3
257.00867	5.8
258.01630	1.5
259.02383	0.4
273.00421	1.0
274.01111	0.9
275.01959	13.6
276.02292	0.6
283.99640	2.8
285.00131	0.4
289.07169	0.5
290.07547	0.2
299.99167	2.6
300.99866	100.0
302.00226	5.5
313.05664	0.3
331.06702	0.4
463.05096	2.4
633.07251	48.1
634.07648	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	633.0729
Annotation	Corilagin
Peak:m/z	Relative Intensity
59.01361	0.8
59.86747	0.5
60.31354	0.5
69.60635	3.8
69.60980	0.6
69.61100	0.5
71.01374	1.1
85.02976	0.8
89.02451	0.8
95.01395	1.5
96.96015	0.7
97.02980	0.7
98.20163	1.8
107.01378	3.6
117.03380	0.6
119.35658	0.5
123.00890	4.2
125.02434	14.5
131.05035	0.8
133.02922	0.6
137.02406	0.7
137.76086	0.5
138.05612	0.5
145.02948	1.5
147.04520	1.7
157.02876	0.9
159.04541	3.2
163.03998	1.0
165.01874	0.6
168.00642	0.6
169.01410	10.5
173.02415	2.2
175.03957	5.1
177.01904	1.8
185.02402	3.4
187.04002	1.6
189.01869	0.8
190.02628	0.6
191.03468	1.9
193.01427	0.5
201.01900	5.1
203.03474	11.9
205.01491	0.5
211.02496	0.8
213.01900	2.3
214.02768	1.3
219.02901	1.4
221.04533	1.1
229.01390	10.3
230.02087	0.8
231.02962	12.6
232.03053	0.6
245.00832	2.1
247.02426	1.7
249.04008	29.2
250.04353	1.7
257.00870	10.4
258.01611	4.1
259.02396	0.7
273.00348	1.5
274.01218	1.3
275.01941	49.6
276.02289	2.9
283.99631	3.3
289.06982	0.6
299.99167	2.8
300.99860	100.0
302.00183	5.6
419.06317	1.0
481.06320	6.8
501.45505	0.7
588.84290	0.7
633.07245	87.8
634.07434	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	633.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98817	0.2
63.57991	0.1
71.01370	0.3
71.10932	0.1
71.59817	0.1
73.02937	0.1
78.00787	0.1
78.95887	0.7
79.95731	3.2
80.96530	0.2
84.95840	0.1
85.02930	0.1
87.00862	0.1
89.02451	0.1
93.03406	0.1
94.98055	0.1
96.96004	100.0
97.95927	0.2
98.95612	0.1
99.00845	0.2
101.02460	0.1
109.02922	0.2
119.43148	0.1
121.02959	0.1
123.00870	0.2
123.04520	0.2
125.02425	1.0
130.08731	0.1
130.25592	0.1
135.04541	0.1
136.27435	0.1
137.02403	0.3
139.00357	0.1
151.00307	0.2
151.03989	0.2
152.01183	0.1
165.01910	0.2
168.00580	0.1
169.01439	1.0
187.20200	0.1
193.01370	0.4
193.86403	0.1
213.05516	0.1
241.05167	0.2
256.07178	0.1
271.09790	0.1
275.01993	0.4
289.07166	0.3
292.34277	0.1
299.99033	0.1
300.99869	1.2
302.00128	0.1
306.56155	0.1
307.12247	0.2
313.05478	0.3
391.93433	0.1
418.75092	0.1
421.03162	0.1
480.05298	0.2
523.22101	0.1
528.06183	0.1
633.06873	0.2
633.17975	1.6
634.17651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.1
59.01376	8.1
61.98820	6.3
68.99571	1.2
69.03461	1.1
70.51009	1.9
71.01374	5.8
71.05003	0.7
72.99294	1.3
73.02953	2.1
75.00877	0.9
79.54535	0.6
80.02693	0.9
81.03467	1.6
83.01384	1.5
83.05011	3.9
85.02953	1.8
87.00871	1.8
89.02441	4.6
91.80839	0.6
93.03454	0.9
95.01376	0.8
95.05016	2.1
96.96001	5.0
97.06580	13.4
101.02444	5.0
107.01379	1.0
109.02930	0.6
109.06625	0.6
112.98588	1.1
113.02436	4.0
119.03510	1.3
123.04501	0.8
123.08159	7.4
125.02435	2.1
125.09715	86.5
126.10046	2.8
133.01611	0.7
135.04504	2.6
136.04836	0.9
143.10741	1.1
145.02650	0.6
151.00409	3.1
152.00737	1.6
161.04523	1.8
163.11304	2.3
165.12811	1.3
167.03549	0.7
169.08681	3.1
171.10229	3.1
179.05511	0.7
181.54929	0.6
187.09747	55.6
188.10097	2.4
201.11385	0.8
207.10181	0.7
209.11807	48.4
210.12155	2.8
225.11259	0.9
227.12831	4.5
235.08199	1.8
253.09192	3.6
261.13428	0.9
285.80798	0.7
287.05594	1.5
288.05753	1.1
289.06354	1.0
405.17508	5.0
423.18652	13.1
424.18951	0.8
544.22516	0.7
615.30310	6.5
616.30865	0.9
633.31177	100.0
634.31439	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4007
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
55.01863	2.1
57.03450	3.8
59.01380	2.9
61.98815	1.3
66.41360	0.5
67.01890	0.6
69.93646	2.4
71.01371	4.6
72.99325	3.3
73.02940	0.8
75.00866	29.4
78.95908	0.5
79.02338	0.5
83.01381	1.2
85.02942	21.7
86.00090	0.5
87.00865	1.5
89.02439	0.5
89.94467	0.4
95.01376	3.1
96.96004	1.0
98.20643	0.6
99.00861	2.2
101.02438	0.6
112.01656	1.3
113.02441	11.9
115.00353	0.8
116.01157	1.2
116.24113	0.5
129.01904	0.7
157.01385	1.2
166.79007	0.5
171.10268	0.9
175.02504	0.7
187.09584	0.5
203.76906	0.4
235.61148	0.4
300.99823	0.5
395.08368	0.5
530.65906	0.5
560.82697	0.5
615.39258	0.5
633.40015	100.0
634.40320	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	633.4005
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
53.42617	0.4
54.10316	0.3
55.01878	0.8
57.03445	3.8
58.54930	0.3
59.01378	3.0
59.64107	0.3
61.98818	0.8
63.88586	0.3
64.34017	0.4
65.46896	0.3
70.34334	0.3
71.01373	4.4
72.99293	1.8
73.02920	0.5
75.00867	26.2
76.68011	0.4
83.01345	1.1
85.02943	22.9
86.00066	0.4
87.00855	1.5
89.02436	0.8
95.01394	2.9
96.95998	1.1
97.02917	0.4
99.00852	1.6
101.02446	1.0
112.01665	1.0
113.02440	11.0
117.01895	0.6
129.01912	1.1
155.28026	0.3
157.01399	1.2
164.07172	0.4
175.02504	0.6
207.98952	0.4
340.82547	0.4
455.35025	0.6
475.07657	0.4
531.01740	0.4
553.21484	0.4
615.39404	0.6
633.40002	100.0
634.40363	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4005
Annotation	Eclalbasaponin II
Peak:m/z	Relative Intensity
50.82882	2.8
55.01863	4.1
57.03442	4.4
59.01369	17.0
60.15375	3.1
61.98810	9.6
69.27679	16.7
69.28098	9.6
71.01382	79.6
72.66557	3.1
72.99313	3.3
73.02949	23.0
75.00859	13.9
77.35968	3.2
78.43253	3.0
79.39699	3.3
79.63971	2.7
80.67802	3.3
83.01369	8.5
85.02959	37.9
87.00873	5.1
88.98788	12.2
89.02441	9.2
95.01397	4.8
96.95996	8.2
98.20632	5.7
99.00868	9.8
101.02442	56.6
111.33253	2.7
113.02440	40.4
125.02392	6.3
143.03490	5.7
159.02963	10.2
161.04549	100.0
162.69568	3.3
205.03484	3.8
301.00043	2.9
356.09875	3.3
559.40100	35.7
560.40533	3.8
589.32593	5.3
589.41156	68.7
590.41327	10.0
633.40320	82.1
634.40375	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	633.4001
Annotation	UNII-3TG3M7GRP4
Peak:m/z	Relative Intensity
55.01870	1.0
55.86386	0.4
57.03444	4.2
59.01374	3.9
59.89954	0.4
61.15798	0.3
61.98817	1.2
67.01894	0.6
68.99818	0.8
71.01376	5.5
71.50005	0.5
72.99284	1.9
73.02941	0.6
75.00867	28.0
76.01238	0.4
79.23348	0.3
83.01396	0.9
84.02156	0.4
85.02943	23.1
86.03308	0.5
87.00889	1.9
88.98804	1.0
89.02453	0.4
95.01385	3.5
96.95997	1.1
97.02943	0.7
99.00873	1.7
99.13606	0.3
111.00838	0.7
112.01656	1.5
113.02445	11.6
115.00373	0.9
116.01144	0.4
117.02004	0.4
129.01921	1.0
136.72562	0.3
157.01389	1.0
171.10228	0.3
175.02477	0.5
183.30408	0.4
255.26360	0.4
463.64017	0.4
501.68597	0.4
633.40027	100.0
634.40369	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	635.0887
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01390	1.5
65.00296	0.4
65.65536	0.4
67.01898	0.7
69.03461	1.8
69.22073	3.4
69.22495	0.9
71.01385	1.9
73.55494	0.4
79.01904	0.7
79.95720	0.4
81.03471	1.0
83.01398	1.4
85.02971	1.2
89.02451	0.5
95.01402	1.4
96.95390	0.6
96.96008	10.2
96.96600	0.7
97.02954	3.0
97.03477	0.4
98.20636	1.0
98.95607	0.6
100.89155	0.4
101.02440	1.5
107.01386	5.2
109.02980	0.8
111.00880	1.1
113.02438	1.2
114.53024	0.4
119.05016	0.6
121.02949	0.7
123.00885	4.8
124.01680	1.5
125.02444	81.5
126.02795	1.7
130.08688	1.2
136.98805	1.1
137.02446	1.3
139.00349	2.0
139.04037	1.2
140.01137	1.6
141.01970	0.5
149.02461	1.2
151.00394	2.3
151.03978	0.9
153.01863	0.6
163.04024	0.6
165.01941	1.6
165.05611	0.5
166.99919	0.6
167.03494	1.5
168.00639	4.3
169.01414	100.0
170.01819	2.4
172.09758	1.1
179.03546	0.7
181.01508	0.9
183.02977	1.9
191.03563	0.6
193.01375	4.4
195.06516	0.6
205.24109	0.4
209.11859	0.4
211.02463	11.0
211.04390	0.9
215.44197	0.5
223.02463	1.1
235.02457	1.2
237.03986	0.6
241.03520	1.3
253.03546	1.0
271.04559	4.8
272.05228	0.4
289.07324	0.6
295.04504	3.9
313.05652	4.6
331.06659	0.8
403.93530	0.5
405.04825	0.6
413.14713	2.1
423.05707	2.8
465.06699	7.0
466.07031	0.8
483.07712	11.6
484.08121	0.8
635.08826	71.7
636.08984	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	635.089
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01369	2.0
61.98827	1.1
67.01888	0.8
69.03455	0.8
70.91987	0.8
71.01379	5.3
72.99317	0.6
73.02930	1.0
73.49290	0.4
75.00864	0.4
79.01904	1.0
79.95730	1.0
80.96516	1.3
81.03472	0.6
83.01402	0.6
85.02958	1.5
87.00880	0.7
89.02457	0.8
94.92381	0.5
95.01385	2.1
96.96008	14.6
97.02943	1.4
101.02448	2.0
105.03457	0.5
107.01389	6.4
107.04971	0.5
109.02933	0.5
111.00867	1.2
113.02438	2.0
116.92859	1.2
121.02958	0.5
123.00884	6.6
123.04469	0.7
124.01633	0.9
125.02441	48.2
126.02816	1.3
127.00371	0.6
135.04448	0.5
136.98834	0.8
137.02446	1.1
139.00386	3.1
139.04045	0.6
140.01186	2.3
141.01859	0.7
149.02431	1.1
151.00362	5.0
151.04013	0.8
153.01967	0.9
161.02507	0.5
163.04030	0.4
165.01912	1.7
165.05591	0.7
166.99829	1.1
167.03496	1.1
168.00655	3.9
169.01416	64.7
170.01724	1.5
177.01941	0.5
179.03491	1.3
191.03511	0.5
191.05608	0.7
193.01396	4.0
195.03049	0.5
195.06616	1.2
211.02473	5.8
223.02446	1.5
225.00752	0.6
235.02539	0.4
237.03896	0.5
241.03514	1.2
253.03442	1.0
271.04688	1.0
277.03473	0.4
289.07169	0.8
295.04510	2.0
297.06116	2.8
313.05640	21.1
314.06003	1.8
465.06693	100.0
466.07095	7.3
483.07745	1.6
551.54541	0.5
635.08771	5.6
635.23389	2.4
636.09094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55403	0.3
51.28177	0.3
59.01377	0.9
67.01888	1.0
69.03455	1.9
69.53994	2.2
69.54400	0.9
71.01373	2.6
72.99298	0.4
73.02958	0.6
79.01894	0.5
79.95738	1.0
81.03461	1.1
83.01365	0.7
85.02949	1.7
87.00850	0.4
88.98837	0.4
89.02474	0.5
95.01394	1.2
96.96005	21.5
97.02924	2.2
99.00878	0.7
101.02423	2.1
107.01382	7.1
107.02041	0.6
109.02982	0.7
111.00876	1.5
111.84668	0.4
113.02434	1.8
121.02931	0.7
123.00883	5.1
123.04463	0.5
124.01652	1.1
125.02441	75.8
126.02788	1.7
127.00365	0.6
128.51167	0.3
136.98825	0.6
137.02452	1.1
138.03258	0.4
139.00365	2.3
139.04037	0.7
140.01172	2.3
141.01930	0.5
143.03529	0.4
145.02892	0.7
147.04466	0.4
149.02446	1.2
151.00371	3.3
151.03999	0.5
161.02408	0.7
163.04091	0.6
165.01923	1.4
165.05522	0.9
166.99828	0.9
167.03516	0.6
168.00645	4.3
169.01413	100.0
170.01750	3.0
179.03455	1.3
181.01445	1.2
191.03523	0.8
193.01387	3.2
195.06624	1.1
199.50830	0.4
205.01314	0.5
207.02985	0.6
211.02460	9.6
220.51988	0.4
222.95815	0.4
223.02446	0.9
235.02431	1.1
241.03508	1.3
253.03505	1.0
271.04578	5.2
295.04562	5.1
300.99875	2.9
302.00192	2.1
303.00388	1.8
313.05637	6.8
314.06058	0.7
331.06696	0.5
337.68420	0.4
404.83780	0.4
421.07672	0.5
423.05576	2.6
439.68417	0.4
465.06705	16.6
466.07034	1.5
480.48697	0.5
483.07730	9.9
484.07907	0.8
635.08752	65.6
636.08990	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2186
Annotation	Coelovirin C
Peak:m/z	Relative Intensity
53.93859	1.0
55.01883	1.5
57.03434	4.0
59.01377	23.1
61.31091	1.3
67.01878	1.1
68.99805	2.7
69.03442	2.3
71.01382	20.9
71.86514	1.2
72.99306	7.0
73.02952	3.2
75.00870	25.8
83.01360	2.0
83.05014	1.2
85.02949	23.0
87.00870	7.1
89.02431	7.5
91.04040	1.6
93.03448	2.3
95.01382	7.4
96.96006	3.8
97.02972	1.7
99.00871	25.7
101.02426	2.4
103.00369	2.3
109.02958	2.4
111.00894	2.8
113.02448	30.5
115.00355	2.7
115.91108	1.2
117.01929	4.2
121.02907	1.2
123.00864	1.6
123.08125	1.1
125.02439	4.1
129.01936	2.1
135.11774	13.3
139.00334	1.2
141.01918	2.0
143.08636	1.5
153.01831	1.6
157.01398	6.2
161.09702	7.4
169.01421	4.0
169.99310	1.0
175.02469	2.6
179.10765	44.4
180.11159	1.3
181.01556	1.0
189.04028	1.3
215.16299	1.1
220.72415	1.2
231.05135	5.4
249.06123	30.9
267.07184	12.0
311.82407	1.4
411.16483	12.5
429.17618	24.1
430.17810	2.3
455.15564	23.3
456.15863	2.5
473.16577	100.0
474.16879	8.4
515.17700	3.4
575.20148	1.7
599.10077	8.1
635.21887	66.1
636.22192	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	635.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18316	0.7
55.01831	0.7
57.03415	1.4
59.01322	12.7
66.62383	0.7
67.01839	1.1
68.99771	1.5
69.03406	1.0
71.01379	17.1
71.01743	1.0
72.99303	4.6
73.02940	4.2
75.00869	20.9
79.95682	2.1
83.01339	1.1
84.19829	0.7
85.02946	16.7
87.00867	6.1
87.04455	1.2
89.02437	5.2
91.03956	1.6
95.01388	4.8
96.96030	6.1
97.02919	0.7
98.20612	2.1
98.47570	0.7
99.00874	22.3
99.04461	0.8
101.02413	1.4
103.00293	2.1
103.86958	0.8
109.02851	2.3
111.00813	1.8
112.01620	0.7
113.02444	21.6
115.00290	2.8
116.92863	3.6
117.01868	2.7
128.90125	1.1
129.01865	2.1
131.03322	1.1
135.09441	0.8
135.11774	5.3
139.00314	0.8
153.01888	0.9
157.01292	3.2
159.08110	1.3
161.09677	5.4
174.82999	0.7
175.02396	1.9
179.10757	31.9
189.03903	1.6
196.47855	0.8
205.07063	1.3
211.40195	0.7
223.09674	1.2
231.05002	2.6
243.96616	1.2
249.06122	19.3
267.07166	12.0
297.13254	1.9
355.75314	0.8
357.15594	1.0
359.14828	0.8
411.16522	4.6
429.17679	10.1
455.15576	30.1
456.15891	3.2
473.16589	100.0
474.16907	9.6
477.93259	0.8
497.16473	1.1
515.17529	7.4
516.17944	1.4
545.18768	0.9
575.19867	2.0
635.21899	34.6
636.22192	4.2
644.22327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12917	0.8
51.11984	0.7
55.01865	1.4
56.86073	0.7
57.03440	2.6
58.84197	0.7
59.01376	14.7
68.99818	1.9
69.03455	1.9
69.38364	4.5
69.38795	2.0
71.01381	16.7
71.54275	0.7
72.99303	5.7
73.02940	2.7
75.00873	19.5
79.95737	2.1
81.03482	1.4
83.01379	2.8
85.02948	15.5
87.00868	5.7
87.51055	0.8
89.02437	5.8
91.03997	1.2
95.01369	3.6
96.96003	9.0
97.02936	0.7
99.00871	22.3
101.02448	2.9
103.00367	1.9
109.02932	2.2
111.00872	1.6
111.04528	0.9
113.02448	21.3
115.00371	2.4
116.92846	5.4
117.01942	3.1
119.03532	1.0
128.90167	1.8
129.01933	2.7
130.40018	0.7
133.10194	1.0
135.11832	5.2
137.78745	0.8
139.00388	1.6
146.07344	0.9
153.01820	1.0
157.01411	3.0
159.08168	2.6
161.09694	5.0
175.02530	1.3
179.10762	30.0
180.11110	2.0
196.47772	1.0
205.07164	1.5
205.53159	0.7
223.09787	1.5
231.05019	3.6
243.96776	1.8
249.06139	17.7
267.07190	11.4
269.04532	1.2
297.13443	1.8
327.05112	1.8
411.16641	4.3
429.17639	7.8
455.15555	25.4
456.15912	2.2
473.16605	100.0
474.16876	9.2
485.58353	0.9
515.17633	6.4
575.19775	3.3
587.41772	1.0
635.22028	31.4
636.22247	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	637.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21079	0.7
55.92863	0.7
59.01374	1.8
62.92546	0.6
64.94773	0.7
67.04340	0.8
69.25658	4.2
69.26083	2.6
71.01378	1.5
76.26520	0.7
78.06414	0.6
78.82363	0.6
79.95731	63.3
80.96510	4.7
93.03439	1.0
93.98587	0.7
96.68263	0.8
96.96005	12.4
108.02107	0.9
109.02924	1.3
113.02465	0.9
121.02960	6.6
122.03735	6.7
123.04500	1.9
133.02933	2.8
134.03714	3.1
135.04541	0.9
137.02383	0.8
137.73009	0.7
147.04469	3.2
149.02437	9.2
149.06041	4.3
150.03218	29.3
151.03926	0.7
160.01688	1.2
161.05994	0.9
163.03949	1.1
164.04808	3.2
165.05556	32.7
169.95062	0.9
179.07089	3.1
180.04202	3.0
190.06319	2.8
191.07080	1.1
195.06647	4.2
205.08652	1.5
207.06557	1.0
208.07402	2.0
215.93077	0.7
216.00951	1.6
242.09590	0.8
246.70624	0.8
247.99925	1.0
257.11777	1.3
270.08948	2.6
284.06827	1.2
285.11319	2.6
298.08450	1.6
299.09232	2.4
301.10715	1.6
311.09076	1.1
313.10745	1.0
314.07922	3.2
324.10007	0.9
329.10263	7.1
329.13800	1.4
341.10223	7.5
344.12604	12.6
345.12924	1.2
346.14172	2.7
347.15155	1.1
356.12634	3.9
359.14969	38.5
360.15332	4.5
361.16528	10.7
362.16748	1.1
371.14929	17.6
372.15131	1.5
376.84973	0.8
389.15686	0.9
401.15820	0.8
439.10257	1.1
453.12048	1.4
475.17792	1.3
509.21808	6.1
637.19525	100.0
638.19788	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39967	0.8
57.03442	1.7
59.01377	14.5
61.98829	3.6
65.03960	1.5
71.01371	11.6
72.99329	1.0
73.02953	3.1
81.03452	1.6
83.01401	2.7
85.02961	4.8
87.00874	3.9
89.02426	4.6
91.05514	1.5
93.03432	1.0
95.05000	2.2
96.95996	1.2
97.06558	2.1
98.20630	2.5
99.00871	1.2
101.02433	6.6
109.06606	2.2
111.08133	1.0
113.02433	5.4
115.05515	1.8
125.09725	9.1
133.05058	1.0
135.08154	2.0
143.03468	0.9
145.05087	1.6
161.04556	2.4
163.11316	1.8
166.59590	0.9
171.10338	1.9
185.11790	4.3
187.14920	3.8
191.10767	1.3
201.12927	1.1
207.10182	1.4
209.11810	15.0
211.13460	1.4
213.12833	5.3
221.15398	1.1
225.11365	1.0
231.13911	11.6
233.11804	1.4
235.08228	2.8
237.14752	1.0
248.41972	1.0
249.14952	2.5
253.09161	1.2
273.15225	1.1
339.23172	3.4
357.24606	1.1
365.21295	2.3
373.23813	3.2
383.22208	15.0
384.22726	1.5
391.24667	2.0
401.23257	15.1
402.23462	2.2
419.24216	3.5
477.13385	1.0
609.32654	1.4
619.31165	100.0
620.31470	16.4
637.31940	27.2
638.32300	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	639.1353
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
50.01345	0.5
51.73142	0.5
57.03447	1.2
59.01376	9.2
60.99314	0.9
61.98834	4.8
63.02392	1.0
65.00340	1.5
70.71337	1.3
71.01384	7.2
72.99300	2.1
73.02942	3.4
74.33107	0.6
74.99091	0.6
80.96482	0.7
81.03471	0.6
83.01392	1.8
85.02932	3.7
87.00900	1.8
88.98817	2.9
89.02445	2.7
93.03485	1.1
95.01417	1.0
96.96013	11.0
99.00880	2.6
99.04519	0.6
99.92584	1.9
101.02439	3.3
103.00349	0.7
107.01402	2.4
108.02209	1.4
109.02946	2.1
113.02456	3.6
115.00389	0.7
116.92853	22.6
117.01936	3.4
117.92863	1.2
118.98116	0.6
120.99622	0.8
121.02918	2.9
123.04530	1.2
125.02466	2.0
135.00858	0.9
137.02422	1.2
141.93546	0.6
145.03000	0.7
148.01642	1.7
150.03223	0.7
151.00345	11.1
152.04013	0.7
155.10748	0.7
160.01654	1.3
161.02400	2.3
161.04590	1.6
163.00383	2.1
163.04045	0.8
164.01128	1.2
165.01920	1.2
165.05479	1.0
169.01451	1.2
175.03918	1.4
178.99867	4.6
179.03421	0.6
179.05649	0.7
192.00554	0.7
193.05013	0.9
196.92297	0.7
199.03923	1.2
205.55060	0.6
209.11786	1.9
210.12230	1.1
211.04005	1.1
215.03297	0.6
226.02663	1.1
227.03485	3.2
227.12932	0.9
229.01340	1.1
243.02959	11.9
244.03583	1.6
244.75447	0.6
245.04584	1.0
249.06200	1.7
254.02121	2.4
255.02969	27.3
256.03400	1.7
271.02451	61.6
272.02957	5.9
273.03799	1.5
283.02615	1.1
285.04074	0.8
299.01947	1.3
300.02719	100.0
301.03445	37.8
302.03897	2.5
307.50195	0.7
315.05164	3.3
323.07700	2.0
327.25540	1.1
329.23337	5.1
372.24438	0.6
375.27277	1.1
389.25372	1.2
463.08789	43.0
464.08844	4.5
477.10263	2.6
579.29474	0.8
622.11053	1.5
639.13483	60.4
639.31897	18.0
640.13538	9.8
640.31714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13305	0.4
57.03447	0.5
59.01376	14.5
60.01670	0.4
61.98821	1.0
66.65845	0.4
70.10925	1.6
71.01379	3.1
72.99304	1.2
73.02950	1.3
75.00864	0.7
79.95730	2.4
81.87867	0.4
83.01366	0.6
85.02950	2.2
85.55063	0.4
87.00851	0.7
87.04507	0.5
88.98789	0.5
89.02447	0.9
96.96008	62.4
97.02907	0.5
98.20564	0.6
98.95592	0.6
99.00888	0.9
101.02457	1.8
103.00356	0.4
109.02953	2.2
113.02457	1.9
116.92833	2.3
117.01957	0.7
119.03535	0.5
120.99633	1.5
123.00880	1.2
123.04635	0.4
125.02420	1.4
125.09731	0.5
131.62012	0.4
136.99112	0.5
137.02440	4.7
137.09760	0.5
138.03178	0.5
139.00377	0.5
139.04002	0.6
149.02428	1.6
150.03194	1.0
151.00363	9.4
151.03996	1.3
152.01144	1.1
152.04810	0.9
161.02438	0.5
161.04587	1.1
163.04102	0.4
165.01974	0.8
166.02705	32.0
167.03342	1.8
169.01422	0.6
171.10304	0.6
175.03973	0.7
177.01918	1.9
179.03546	0.6
179.07083	0.6
181.05054	38.9
182.05371	1.5
190.06476	0.5
191.03514	0.7
192.04272	1.0
193.05028	0.6
195.02902	0.4
205.05092	0.7
205.08623	0.7
207.06694	0.5
279.08774	0.6
299.99100	0.7
357.09839	0.6
359.11447	1.6
374.06030	0.5
387.10825	16.4
388.11108	1.2
389.25467	0.9
391.26962	1.1
402.13193	13.2
403.13513	1.4
417.15512	100.0
418.15823	9.3
473.18094	0.5
535.31250	2.6
595.33252	3.3
621.32434	0.4
639.16992	0.9
639.32336	8.1
640.32446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
58.00591	0.7
59.01378	18.4
61.98817	2.1
67.01878	0.7
69.03446	1.1
69.71539	1.2
69.71944	2.3
72.99303	3.9
73.02934	2.9
74.60111	0.5
75.00867	12.1
79.95741	0.6
80.96537	0.7
83.01363	1.4
85.02944	13.4
87.00872	3.7
87.04504	1.7
88.98805	1.4
89.02453	3.8
91.03920	0.5
93.03440	1.3
95.01385	3.3
95.04994	0.8
96.95996	6.5
98.19892	1.2
98.72787	0.7
98.95596	1.7
99.00873	6.7
101.02423	2.1
103.00341	0.9
109.02862	0.8
113.02437	12.5
115.00370	1.7
116.92878	0.6
117.01931	1.5
119.03483	0.6
119.04971	0.6
123.04470	0.6
125.02443	1.0
125.09727	2.2
129.01883	1.1
135.02936	0.7
135.08217	0.6
135.98340	0.9
137.02400	1.5
137.09694	1.2
139.11290	1.2
143.93579	0.5
153.09125	0.6
157.12370	0.6
157.51283	0.6
161.04546	0.5
165.01898	0.9
169.01428	0.8
171.10257	3.9
175.02403	1.2
175.13869	0.5
179.05437	0.6
182.86072	0.5
185.11845	3.0
195.06636	1.0
201.11313	9.1
204.95737	0.5
215.12892	3.5
225.00809	0.7
225.07736	0.7
243.15952	0.7
249.06120	8.8
255.02696	0.6
265.89502	0.6
267.07138	0.8
274.59387	0.6
287.18494	1.1
301.20154	4.9
329.23276	2.2
329.26721	0.6
341.23203	2.3
371.24228	2.4
386.08957	0.6
386.59332	0.7
389.20325	1.0
389.25375	19.5
390.25784	1.6
391.27057	1.5
399.14700	0.7
421.16937	1.4
451.18216	3.9
535.31281	4.1
595.24408	0.7
595.33032	3.1
621.31238	1.7
639.32294	100.0
640.32770	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	641.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.0
58.00578	1.4
59.01376	17.3
61.98817	1.9
67.01876	1.1
68.99808	1.3
69.03434	1.4
71.01370	16.3
71.61370	1.4
72.99296	5.8
73.02945	2.3
75.00864	14.0
75.45415	0.9
79.95697	1.1
83.01382	1.1
85.02943	15.6
87.00880	5.0
88.98820	1.1
89.02440	4.0
93.03442	1.1
95.01343	4.8
96.95998	5.4
99.00861	8.9
101.02411	2.2
103.00381	1.9
105.01968	1.2
108.02176	8.0
109.02935	4.0
111.00840	1.5
113.02444	16.0
115.00389	1.1
117.01937	1.9
120.75902	0.8
121.02960	5.3
122.03728	3.0
123.04517	3.0
125.02403	1.4
129.01949	1.5
131.03513	1.0
133.02940	1.4
135.04512	3.8
136.05280	8.4
137.02425	1.5
137.06094	1.9
139.00339	0.9
139.03999	1.4
146.03673	1.1
148.01529	0.9
149.02461	6.6
149.06065	1.5
150.03223	24.5
151.04015	5.3
151.07635	1.2
152.01132	7.8
153.01961	4.7
153.05524	1.2
157.01431	1.1
164.04796	2.8
165.05540	14.3
166.33147	0.8
167.03464	1.2
175.02431	1.8
177.05490	1.0
180.04201	1.7
181.05029	1.7
182.02103	0.9
183.03000	1.9
195.06598	18.3
231.04979	1.8
249.06094	13.2
267.07202	6.4
283.09732	2.5
284.10352	1.2
305.10654	3.5
311.09177	4.8
329.10254	2.1
343.11804	20.8
344.12100	1.8
356.46609	0.9
444.12683	5.7
445.13120	1.3
486.78888	0.9
493.18405	1.0
495.11359	10.4
496.11850	1.6
537.33038	2.0
581.22418	7.1
582.22205	1.1
593.18634	2.0
623.19604	6.0
628.43555	0.9
641.20795	100.0
642.21350	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	641.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12751	0.6
57.03442	1.6
59.01378	9.9
61.98832	4.3
64.04845	0.6
68.81744	0.7
68.99831	1.5
69.03441	0.8
70.74211	0.6
71.01005	0.8
71.01381	15.0
71.60033	0.8
72.99289	2.0
73.02946	3.9
74.99100	1.3
75.00864	1.7
79.95715	1.6
82.19034	0.6
83.01369	2.0
85.02943	7.7
87.00864	2.2
88.98802	2.7
89.02425	3.1
93.03455	48.3
94.03780	0.8
95.01380	2.9
96.96014	12.7
96.99297	2.1
99.00854	2.2
101.02444	9.7
107.04989	0.7
108.02165	2.9
108.14097	0.7
109.02943	2.1
113.02443	7.3
116.92848	2.1
119.03462	0.9
119.05000	1.4
120.99638	1.7
121.02930	6.8
123.04565	1.0
125.02430	2.1
133.02907	0.6
134.03656	1.1
135.04506	3.0
136.01682	4.4
137.02444	75.1
138.02788	1.9
145.02979	0.8
147.04500	2.6
149.02444	1.3
149.06076	0.7
150.03194	2.2
150.06880	0.7
151.00331	1.5
151.04048	1.6
159.04466	2.2
160.05286	4.4
161.05980	2.1
163.04015	2.8
165.01909	1.1
165.05551	1.4
167.07195	0.7
167.52599	0.8
173.06050	0.7
175.04051	0.6
175.07672	4.1
177.05579	1.1
179.03465	0.9
179.05408	0.6
179.10837	0.7
180.07938	1.3
191.03537	1.6
196.64603	0.8
209.11836	1.0
221.04546	1.4
223.09793	1.4
228.73134	0.7
240.09767	0.7
241.08731	0.8
251.07140	0.9
255.02994	1.5
255.10243	1.0
256.03271	0.9
269.08182	13.2
270.08420	1.0
271.02484	3.8
272.02805	2.7
273.02979	2.0
281.06616	61.1
282.06931	3.0
283.09686	4.9
284.10382	1.4
296.10483	0.9
299.09219	7.7
300.02762	5.5
300.09906	3.5
301.03238	4.9
302.03513	4.9
303.03946	1.2
311.09222	13.1
312.09741	2.0
313.10773	1.2
314.11575	17.5
315.08722	0.9
315.12335	11.3
325.10742	1.6
326.11578	10.9
327.12256	4.6
329.13913	23.1
330.14383	1.8
341.13889	8.0
342.13388	1.2
345.13272	2.7
357.15454	6.0
463.08902	0.9
464.09229	1.4
465.09320	2.1
479.20703	0.7
563.83276	0.7
611.21375	1.5
623.20831	1.3
640.32941	1.1
641.22412	100.0
641.31470	4.6
642.22510	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	641.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40081	0.7
56.39467	0.8
57.38310	0.8
59.01374	5.8
59.53362	0.8
61.98825	1.9
63.51793	0.9
67.58933	0.8
71.01364	3.4
72.99318	0.9
81.19582	0.9
83.01387	0.8
84.84262	0.8
85.02960	1.4
87.00878	1.1
87.10798	0.9
88.98795	1.9
89.02412	2.4
93.03421	1.1
95.01432	1.0
96.96009	6.9
99.00883	1.1
101.02443	1.9
108.02174	1.6
109.02943	1.7
113.02431	2.7
116.92857	1.4
120.99615	3.2
121.02946	2.7
123.04517	1.8
124.01621	1.6
125.02451	1.8
137.02402	2.5
139.04022	1.3
145.03043	0.9
149.02393	1.4
149.21429	0.8
150.03206	1.1
151.00333	1.6
152.01132	3.3
155.10738	1.0
163.04019	1.2
167.03484	3.8
169.01361	1.0
189.05650	1.0
195.06599	1.0
198.45720	0.9
218.97409	0.8
221.08263	1.3
272.53433	0.9
289.07010	1.8
299.05408	1.3
305.10510	2.0
307.12061	2.3
313.07123	3.2
315.05194	0.9
317.02429	1.1
327.08676	2.0
329.06613	1.7
329.10202	1.7
343.08157	2.4
344.08948	5.0
358.10571	14.1
359.11282	21.1
360.11725	1.8
373.08353	1.8
373.12860	28.0
374.13199	2.6
389.12442	10.5
404.14722	15.7
405.14932	2.4
419.17072	100.0
420.17416	10.3
461.10486	1.6
479.11768	5.0
641.20471	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	641.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98826	0.5
67.29253	0.2
69.03451	0.3
71.01384	1.5
73.02941	0.4
83.04988	0.4
85.02952	0.2
89.02438	1.0
96.95987	0.5
98.20648	0.6
101.02412	1.2
113.02447	0.9
119.03419	0.4
130.23395	0.3
138.49689	0.2
154.62946	0.2
161.04547	0.5
165.12898	0.4
167.14406	0.5
183.13895	6.2
193.12357	1.3
211.13374	100.0
212.13724	5.4
235.08209	1.5
253.09270	3.4
377.37103	0.3
387.25186	0.3
405.26288	0.3
429.21252	0.9
447.22318	5.7
448.22775	0.7
623.34174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48781	0.5
55.01899	0.7
57.03456	0.8
59.01374	7.0
61.98825	5.5
65.80485	0.5
68.99817	1.0
71.01376	14.1
72.99300	1.0
73.02937	3.5
74.79733	0.5
74.99112	0.7
75.00861	1.1
79.95734	1.0
83.01385	3.2
85.02944	5.3
87.00870	1.6
88.98795	1.0
89.02444	2.2
93.03453	37.0
94.03813	1.3
95.01392	1.8
96.96010	18.3
96.99310	1.3
97.02962	0.8
99.00874	1.2
101.02431	10.9
108.02166	1.1
109.02956	4.1
111.04576	0.6
113.02432	5.9
116.85623	0.6
119.04993	1.7
120.99663	1.3
121.02943	13.2
122.03744	9.2
123.04504	2.7
124.01657	1.2
125.02436	1.4
131.03514	0.6
134.03690	1.2
135.04562	3.0
136.01675	2.7
137.02438	80.5
138.02792	2.3
138.05580	0.9
143.03476	0.6
146.03668	1.0
147.04514	6.8
149.02393	0.8
149.06104	1.3
150.03175	0.8
150.06856	1.1
151.00328	1.1
151.04024	1.9
152.99562	0.6
153.01881	0.8
153.05586	1.3
154.02710	1.7
161.02516	0.7
161.04681	1.0
161.06073	2.4
163.03979	0.8
165.01910	9.6
165.04185	1.1
165.05547	20.9
166.02631	0.9
171.10228	0.5
179.03439	3.4
179.05659	0.9
179.07126	7.2
179.10706	0.9
180.04256	4.3
181.05026	2.1
191.03406	1.8
191.07057	0.8
195.06621	7.7
205.05032	0.8
209.08107	1.3
210.05260	1.5
221.04456	1.0
223.09566	0.6
225.07668	4.7
270.98804	1.0
281.06650	100.0
282.07007	5.1
285.04126	1.3
289.07193	0.7
292.30417	0.6
298.12253	0.9
298.98337	0.9
299.99045	5.0
300.99438	4.6
301.99475	0.6
312.99808	0.6
313.14407	0.8
314.00555	0.8
315.01428	3.4
315.12268	1.6
316.01776	4.4
337.20157	0.7
346.14194	5.9
347.14941	11.3
348.15332	0.7
361.16513	25.7
362.16751	3.0
369.22601	1.1
380.27109	0.5
387.14569	1.0
387.24197	0.6
417.15463	1.8
481.22189	0.6
499.25458	1.1
541.27155	0.9
595.21722	2.1
635.16406	0.6
643.12250	3.6
643.23804	65.4
644.24133	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	643.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49680	0.6
59.01377	100.0
60.01730	1.1
61.98829	11.2
62.98569	0.5
70.01710	0.6
70.40395	1.3
71.01366	3.3
73.02938	0.9
75.00873	1.0
81.03513	0.7
83.72492	0.6
85.02958	1.6
87.00887	1.0
88.98818	2.3
89.02443	2.0
93.03484	1.8
95.01376	0.7
95.05016	0.7
96.95995	6.0
97.02987	1.0
101.02463	2.2
108.02195	0.6
109.02968	4.1
113.02457	1.2
119.03536	0.7
121.02985	1.7
123.00942	0.6
123.04547	2.3
124.01655	0.9
125.02455	2.4
134.48747	0.6
137.02466	6.2
139.04021	1.6
142.07016	0.6
149.02467	3.9
151.00359	0.8
151.03975	3.9
156.17773	0.7
158.03735	0.6
159.04517	1.2
161.02528	1.3
163.04059	2.0
164.04831	2.1
165.01953	2.8
165.05597	1.0
177.02005	0.6
178.99831	1.0
179.03531	1.6
179.05679	1.0
179.07158	1.6
181.05060	18.2
182.05597	0.6
187.04063	0.8
191.03513	1.0
195.06735	0.8
196.07401	25.4
201.05716	0.6
203.07187	1.5
205.05132	1.2
211.09738	57.9
212.10146	2.9
215.07164	1.6
221.08151	0.6
245.08267	1.8
255.02838	1.4
271.02582	3.5
281.06686	0.9
282.07098	1.0
283.07581	0.9
284.03320	0.8
289.07101	4.4
300.02792	5.1
301.00012	0.9
301.03867	1.2
301.07318	4.1
315.08554	1.4
329.10260	0.8
343.14023	1.4
360.15060	0.6
391.03018	1.1
421.18622	27.7
422.19058	2.3
469.99881	0.6
481.14944	17.1
482.15790	2.0
515.49982	0.8
643.12805	1.6
643.21460	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	643.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03429	0.8
59.01099	0.5
59.01374	6.1
61.98791	0.4
69.03454	1.1
69.25040	3.6
71.01376	4.9
72.99287	0.7
73.02935	0.8
78.95879	0.5
81.03468	0.7
83.01380	3.4
85.02956	2.5
87.00889	0.6
87.92766	0.3
88.98819	0.4
89.02415	2.5
93.03458	1.9
95.01381	1.7
95.05006	0.8
96.95996	4.9
97.02943	3.3
99.00865	0.5
101.01994	0.3
101.02454	3.1
108.02139	1.2
109.02946	9.7
113.02471	1.9
119.03519	0.5
121.02950	4.0
122.03742	7.5
123.00878	0.5
123.03626	0.6
123.04526	12.4
124.01653	3.7
125.02433	3.7
135.04510	1.4
136.01657	1.4
137.02443	23.6
138.03169	1.2
139.03973	2.0
145.02962	1.6
146.03725	1.3
147.04529	0.5
149.02438	3.6
149.06007	0.5
150.03220	1.0
150.06865	0.6
151.00418	0.6
151.04010	4.8
153.01953	0.4
154.02684	2.1
159.04503	1.9
161.02435	1.9
161.06055	3.7
162.03180	0.8
163.00356	0.6
163.04010	3.3
164.01163	4.7
165.01929	44.7
166.02298	1.6
175.04068	0.8
177.05438	0.8
179.03464	3.9
187.03958	1.5
188.04776	0.8
189.01907	0.5
189.05299	0.5
190.02750	0.5
201.05582	0.7
203.03513	0.6
203.07191	3.1
205.03273	0.6
205.05040	6.4
206.05606	0.5
229.04942	0.6
231.02939	1.5
241.08620	0.8
244.07361	0.6
247.06104	2.4
259.59613	0.4
269.08081	0.9
271.02475	0.8
288.06396	2.4
300.02701	0.8
301.03458	0.8
339.16043	1.3
357.17029	1.1
370.70215	0.5
386.60153	0.4
395.22736	0.5
419.22134	0.5
437.23178	0.7
463.75262	0.4
464.11465	0.4
475.19751	1.1
479.22772	2.8
481.22046	2.3
482.22885	0.6
491.22876	11.8
492.22910	1.3
511.36368	1.3
519.22302	6.6
521.23596	0.6
533.24194	0.8
599.28528	0.8
643.27509	100.0
644.27856	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	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11535	0.4
55.01876	0.5
57.03434	1.4
57.37417	0.5
59.01103	0.7
59.01378	10.5
61.98814	1.9
62.03487	0.5
69.03451	1.1
71.01377	7.5
72.99297	0.9
73.02942	1.9
75.00859	0.7
83.01383	4.1
85.02942	2.0
87.00881	0.9
89.02435	4.1
93.03457	7.4
95.01400	1.1
96.96007	8.0
97.02956	4.5
99.00864	0.9
101.02437	4.4
106.90644	0.4
107.01371	0.7
108.02177	1.8
109.02952	9.7
111.00846	0.7
113.02438	3.4
119.03519	0.5
120.99648	0.8
121.02950	5.4
122.03740	9.0
123.00896	0.7
123.04524	5.3
124.01660	3.0
125.02440	6.1
135.04510	1.3
136.01646	1.6
137.02437	36.6
138.03323	2.2
139.00401	0.5
139.04022	1.4
143.93544	0.5
145.02931	0.8
146.03763	1.6
147.04526	1.1
148.34363	0.4
149.02397	3.4
149.06026	0.8
150.03206	1.5
150.06889	1.3
151.00381	0.4
151.03998	3.1
153.05482	0.4
154.02713	1.9
155.10843	0.5
157.08681	0.9
159.04538	1.6
161.02464	1.7
161.04698	0.7
161.06055	4.4
161.68112	0.5
162.03268	1.1
163.04013	1.4
163.07692	0.5
164.01151	4.1
165.01918	35.4
165.05518	4.0
166.02509	0.7
169.01392	6.7
175.03999	1.4
175.07553	0.6
177.01930	0.6
177.05556	2.2
178.06160	0.5
179.03468	4.3
179.07106	1.1
179.10744	1.5
180.04329	0.9
187.03998	1.7
188.04817	1.6
189.02048	0.5
189.05566	0.6
190.02609	0.5
191.03387	0.5
195.06657	1.6
201.05573	1.4
202.06364	1.0
203.03455	0.6
203.07091	6.6
204.04289	1.0
205.05020	10.1
206.05438	0.5
225.07651	0.7
229.05070	0.6
231.02835	0.8
244.07367	1.6
247.06052	1.4
264.62314	0.5
281.06625	15.9
281.09641	0.8
282.06989	0.8
288.06525	2.0
289.07190	0.5
299.99210	0.8
300.99677	1.1
329.17633	0.9
336.19507	1.7
337.20148	2.4
346.14267	1.3
347.14987	1.3
353.17697	0.5
361.16644	4.5
389.25375	0.7
395.22488	0.7
419.22211	3.1
437.23740	0.5
473.17990	0.6
479.23041	1.1
481.22345	11.3
482.23022	1.5
491.22937	1.3
499.25641	2.0
520.23236	0.6
533.24298	0.6
541.26715	1.5
599.28912	1.4
643.27673	100.0
644.27917	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	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74608	0.4
55.01877	0.6
57.03437	0.8
59.01377	7.4
61.98826	2.4
69.03449	0.9
69.30624	4.4
71.01370	5.8
72.99277	0.6
73.02927	0.8
75.00947	0.4
83.01389	4.3
85.02950	2.1
87.00854	0.7
88.98808	0.5
89.02419	2.3
93.03449	4.5
95.01400	1.2
95.05035	1.7
96.96020	2.6
97.02947	4.3
98.19918	0.9
99.00849	0.7
101.02422	2.3
102.24166	0.5
103.60608	0.5
108.02179	1.2
109.02948	11.3
113.02435	1.9
116.92807	0.5
117.03508	0.6
119.03533	0.7
121.02945	4.5
122.03745	8.4
122.66888	0.5
123.00903	1.1
123.04531	11.6
124.01662	4.1
125.02428	2.9
135.04517	2.0
136.01660	1.3
137.02443	29.4
138.03261	1.3
139.03999	2.0
145.02953	1.4
146.03729	1.6
146.50667	0.5
149.02419	4.4
149.06073	0.5
150.03162	0.8
151.03989	5.9
154.02701	2.1
159.04494	1.5
161.02414	1.9
161.06061	4.7
162.03278	1.0
163.03993	3.6
164.01161	5.1
165.01918	45.3
165.05556	1.2
165.40959	0.6
165.84525	0.6
166.02356	0.9
175.04036	1.0
175.07530	0.5
177.05576	1.8
179.03505	4.7
180.04326	1.0
183.10300	0.9
185.06114	0.7
187.03960	2.3
188.04742	1.7
195.06633	1.2
201.05615	1.3
202.06300	0.8
203.03352	0.6
203.07133	5.0
205.05049	7.8
206.05440	0.7
225.07564	0.8
231.02922	1.1
241.08672	0.7
244.07391	1.1
247.06129	1.7
281.06140	0.5
288.06439	2.3
317.17419	0.5
329.17575	1.2
331.19165	0.5
339.16150	0.8
395.22327	0.9
419.22241	1.5
437.23184	1.5
479.22885	2.7
481.15381	1.0
481.22299	19.5
482.22717	2.9
491.23325	5.5
492.23322	0.7
493.24240	0.7
519.22412	5.3
521.23407	0.7
533.24329	0.6
599.28949	1.0
643.27594	100.0
644.27979	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	643.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03440	0.2
58.00597	0.1
59.01377	2.4
61.98841	0.1
69.03457	0.7
71.01380	2.4
71.05037	0.2
71.06712	0.2
72.31125	0.1
72.99349	0.1
73.02969	0.5
80.02669	1.0
81.03442	1.1
83.01410	0.4
83.05021	4.1
84.02188	0.5
85.02974	0.5
85.27904	0.1
87.00896	0.5
89.02446	2.0
95.01421	0.3
95.05038	0.6
96.95983	0.6
97.02937	0.2
97.06584	0.2
98.95619	0.1
99.00906	0.1
101.02435	2.1
109.06614	0.2
113.02460	1.2
116.47154	0.1
119.03511	0.6
123.08089	0.1
125.02428	0.3
125.06113	0.5
125.09730	0.2
135.08139	0.7
139.04012	0.2
143.03465	0.2
145.05095	0.2
147.68477	0.1
151.11177	0.1
153.09212	0.2
153.12837	0.7
155.34096	0.1
161.04536	1.0
163.11282	3.3
164.11572	0.3
165.12831	1.9
166.13187	0.1
169.12332	4.1
170.12593	0.2
171.10231	1.0
179.05598	0.4
179.10767	0.3
181.12299	0.6
191.10767	1.0
197.11813	62.6
198.12160	2.8
199.13376	0.3
201.11420	0.2
207.10216	0.2
209.11807	100.0
210.12144	5.1
223.13487	0.2
227.12860	14.0
228.13120	0.7
235.08191	2.0
235.13316	0.6
253.09262	8.3
254.09634	0.4
371.22305	0.2
379.24826	0.1
389.23199	0.5
390.23474	0.1
407.24487	0.2
415.19412	0.4
433.20831	1.4
434.20819	0.1
445.20697	1.6
446.20804	0.1
463.21515	0.3
542.70160	0.1
607.31354	0.8
625.32135	0.4
643.31989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94727	0.6
58.99583	0.9
59.01372	3.7
61.98828	13.3
65.00319	1.1
71.01369	2.3
71.61510	0.5
75.23592	0.6
75.39962	0.6
79.95715	0.9
83.01373	0.9
85.02935	0.8
87.00868	0.8
89.02442	1.1
93.03460	1.0
96.96013	7.4
101.02451	1.1
102.98564	0.7
104.19144	0.6
107.01376	2.2
108.02171	1.3
109.02969	1.4
121.02942	2.3
125.02422	1.2
135.00862	0.7
137.02444	2.6
148.01672	1.4
151.00349	7.9
161.02467	1.0
163.00337	1.5
165.01909	4.8
166.02353	1.0
178.99826	4.9
180.04280	3.0
182.72906	0.6
191.00043	1.2
195.06586	3.2
196.06831	0.8
199.03874	0.8
210.05296	1.0
211.03737	1.0
216.04228	0.8
225.07657	3.8
226.02776	1.5
226.08022	1.1
227.03423	1.7
237.74277	0.7
243.02945	7.5
254.02161	2.1
255.02992	20.8
256.03336	1.2
271.02460	45.1
272.02960	4.4
273.03864	0.8
279.90335	0.8
299.01981	0.9
300.02725	99.3
301.03412	28.7
302.03769	1.3
393.82224	0.6
419.17163	0.8
463.08743	9.2
464.09070	1.3
583.10876	100.0
584.11243	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	4.8
69.33775	1.4
69.42638	10.4
71.01373	2.8
83.01357	7.7
93.03448	3.8
95.05007	3.2
96.95990	2.8
97.02948	7.1
103.25590	1.5
108.02155	6.9
109.02946	31.8
114.41251	1.7
121.02924	7.7
122.03741	3.0
123.00896	4.1
123.04517	27.6
125.02439	14.7
127.79900	1.4
131.16331	1.3
133.02960	4.4
135.04510	4.3
137.02461	9.3
139.04010	5.2
145.02977	2.1
146.03703	4.9
148.05299	8.2
149.02440	15.9
149.06116	7.6
150.03218	2.5
151.03999	13.2
154.02628	1.6
159.04510	3.5
160.05264	4.9
161.02438	21.6
161.06029	8.1
162.03172	4.2
163.00305	2.6
163.03996	13.4
163.07626	7.2
164.01062	2.5
165.01906	5.6
167.03468	1.8
172.05237	3.3
173.06071	2.9
174.03203	5.2
175.03952	6.4
175.07509	1.6
177.05548	2.5
178.82365	1.5
179.03476	3.5
184.05263	1.8
185.06021	2.7
187.03969	5.3
187.07591	5.4
188.04688	2.9
189.01881	3.8
189.05537	3.4
199.07672	3.1
200.04691	2.1
201.05550	4.1
202.02698	2.4
202.06236	3.3
203.03448	3.2
203.07103	8.7
204.07466	1.7
205.05023	20.8
207.19899	1.5
213.05453	2.6
216.04326	2.9
217.04837	1.4
225.05479	2.0
226.06245	1.5
227.03514	1.9
227.07051	3.5
228.07822	2.2
229.05067	3.1
229.08659	1.7
231.02972	3.1
231.06619	3.9
239.07130	1.8
241.08781	1.9
242.05769	3.3
245.08182	9.5
247.06119	10.8
254.05956	2.0
257.04462	2.6
270.05225	5.5
271.05939	5.0
272.06799	3.1
273.03922	2.4
282.05331	1.9
283.06085	3.7
284.06931	2.7
285.07733	15.5
287.09219	11.7
288.09781	1.7
289.07156	49.7
296.83426	1.4
297.07721	4.1
307.11847	1.5
310.04840	3.4
311.05716	2.0
313.07019	3.9
315.08838	3.0
325.07184	11.4
326.07712	4.9
327.08624	3.1
351.12378	3.4
393.13254	1.7
437.12399	57.9
438.12888	8.5
449.12366	79.3
450.12646	9.2
467.13440	100.0
468.13840	14.2
495.15015	4.4
523.15210	1.8
647.19751	27.3
648.20154	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	647.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01373	10.9
61.98825	1.9
65.09044	1.1
68.99841	1.4
69.03441	2.0
69.49210	3.9
69.49640	4.9
71.01376	8.1
72.99318	1.6
80.96494	1.6
81.03465	2.1
83.01382	13.8
85.02941	3.2
87.00835	1.6
89.02435	3.7
89.29707	1.2
93.03452	6.0
93.92896	1.3
95.01391	4.9
95.05016	9.0
96.96005	26.7
97.02946	12.6
98.20614	2.5
101.02428	2.6
108.02174	11.4
109.02950	51.4
111.00906	1.3
113.02492	1.5
113.06077	5.3
117.03468	2.6
119.05029	2.0
121.02937	11.5
122.03733	5.8
123.00858	3.3
123.04521	41.1
124.01655	1.8
124.04856	1.3
125.02434	24.7
133.02962	5.3
134.03746	1.4
135.04488	6.6
137.02423	18.5
137.06117	1.2
138.03194	2.5
138.05568	3.4
139.03998	9.8
143.05049	1.6
145.02910	5.4
146.03714	3.5
147.04552	2.6
148.01616	1.4
148.05313	6.6
149.02425	23.0
149.06085	7.9
150.03217	3.4
151.03984	21.5
158.03764	1.4
158.68019	1.1
159.04506	8.8
160.05264	5.1
161.02432	32.7
161.06068	14.3
162.03246	7.6
162.06743	1.2
163.00363	5.0
163.03996	18.8
163.07651	5.1
164.01151	5.8
165.01907	9.4
165.05522	2.9
172.05278	4.2
173.06062	3.5
174.03197	4.6
175.03964	9.6
175.07631	5.3
177.01909	8.4
177.05475	7.8
179.03502	11.7
181.05046	18.7
181.06602	2.0
185.03943	1.2
185.06052	3.3
186.03203	2.5
186.06761	2.3
187.03996	7.7
187.07585	5.6
188.04758	6.7
189.01894	4.0
189.05501	3.6
190.02654	1.5
191.03532	2.1
193.05109	2.1
199.04135	1.5
199.07719	1.7
200.04771	3.7
201.01968	1.3
201.05579	7.5
202.02725	3.0
202.06349	6.2
203.03569	6.4
203.07124	20.0
204.04115	2.1
205.05042	29.1
211.07465	1.4
213.05545	2.7
215.07137	3.8
216.04303	3.7
217.08669	3.2
219.03088	1.6
219.06473	2.9
219.10100	1.3
220.03734	5.5
221.04483	2.3
221.08134	3.2
225.05566	3.0
226.06242	1.8
227.07103	5.2
228.04231	1.8
228.07751	2.0
229.05052	4.5
229.08598	2.2
230.05716	1.8
231.02979	3.8
231.06596	1.8
239.07173	1.9
240.07858	2.0
241.04808	2.4
243.03058	1.7
243.06575	1.5
243.10207	2.0
245.04523	2.6
245.08147	20.6
247.06081	11.2
253.05089	1.4
256.03854	1.6
257.04575	3.4
257.08188	1.7
267.06738	2.2
269.04562	2.2
269.08102	1.3
270.05350	9.9
271.06067	4.0
272.06821	2.8
273.03891	1.6
273.07697	2.1
281.04462	1.5
282.05197	2.8
283.06070	3.6
284.06870	1.8
285.07654	19.6
287.09250	16.6
289.07159	95.6
290.07507	6.1
297.07693	4.9
299.09186	4.8
300.10123	1.3
301.07013	1.4
305.11295	2.4
309.04309	1.4
310.04703	4.1
311.05499	2.6
313.07175	4.4
315.08801	1.6
324.06219	3.4
325.06998	11.4
326.07819	7.0
327.08490	4.6
339.08762	3.3
343.08188	11.3
351.12561	1.7
352.79343	1.2
381.13275	2.0
389.06497	1.3
393.13104	1.7
413.40878	1.3
437.12363	60.5
438.12802	4.9
449.12378	98.7
450.12830	9.5
467.13419	98.4
468.13763	14.6
495.14880	9.1
523.14362	8.4
603.20782	1.9
630.45959	1.6
647.19781	100.0
648.20032	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	647.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.5
59.01374	10.4
61.98822	4.4
67.01874	2.0
68.99849	1.8
71.01379	24.6
71.54536	2.2
72.99291	5.4
73.02930	2.8
75.00871	21.7
83.01368	10.5
83.05045	2.3
85.02945	27.7
87.00865	10.7
87.28132	1.8
89.02450	2.7
95.01356	2.3
96.95984	2.2
99.00870	23.4
111.00860	13.1
112.98804	61.7
113.02460	11.4
115.00371	4.7
124.98759	3.7
129.01913	8.5
142.99844	51.1
145.01381	3.8
147.02925	3.5
162.83931	3.6
173.00890	69.5
174.01585	6.0
175.02460	2.4
191.01855	3.9
384.76926	1.8
457.33090	3.0
458.62277	2.4
471.34836	3.7
473.36270	29.4
474.36652	3.0
614.91498	1.9
647.37958	100.0
648.38147	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	649.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.7
55.98178	1.5
57.03445	3.2
58.00585	1.7
59.01380	76.5
61.73172	1.7
61.98795	1.8
69.03447	3.7
71.01380	46.4
71.18454	2.6
72.99317	2.9
73.02938	16.4
77.77367	1.8
79.95736	2.6
83.01376	11.5
85.02950	24.4
87.00867	10.3
89.02442	9.1
95.01390	4.9
96.95998	16.9
97.02978	3.2
99.00872	6.9
101.02434	30.7
109.02953	2.4
111.00914	3.7
113.02434	17.9
115.03957	2.6
119.03514	2.1
125.02434	9.6
127.04011	2.4
131.03502	2.1
135.04536	4.4
137.02414	2.0
143.03493	5.7
147.63715	1.6
148.05254	3.5
149.02441	4.1
149.06018	2.0
150.03275	1.8
151.03960	1.8
159.03041	2.3
161.04535	8.9
165.01857	1.9
165.05461	1.8
166.06357	20.9
167.07101	7.5
180.04010	1.9
181.08678	28.3
194.09987	1.7
195.06586	5.9
209.58897	2.0
221.06575	2.6
301.03342	2.1
301.10727	3.9
302.03217	3.1
309.13495	2.0
312.12088	6.1
313.12726	2.3
327.14453	92.3
328.14835	7.1
359.13406	2.3
401.18134	25.6
402.18549	1.9
435.91302	1.9
471.18668	100.0
472.19022	10.6
489.19601	20.6
531.20837	4.4
545.22406	34.9
546.22504	5.0
563.23370	59.2
564.23627	6.9
605.24512	3.2
611.14984	6.8
648.79749	17.1
649.19879	4.5
649.30524	8.9
649.80792	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	649.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.0
58.00588	1.3
59.01377	60.2
69.03466	2.4
71.01382	16.8
72.99303	1.3
73.02947	9.6
79.95728	1.6
80.91686	2.2
80.96488	1.0
81.03442	0.9
83.01399	2.5
85.02956	13.5
86.00127	1.0
87.00873	3.6
89.02449	4.1
92.35632	0.9
95.01377	1.7
96.96008	11.4
97.02988	1.4
98.19885	2.7
99.00896	2.0
99.04490	1.1
101.02448	7.4
103.04021	1.9
105.82811	0.9
108.02180	0.9
109.02977	2.4
113.02460	7.6
116.92938	1.0
121.02960	2.6
122.03754	2.1
123.04482	1.0
125.02426	4.0
135.04506	7.1
143.03537	2.4
148.05316	1.6
149.06032	1.9
151.00323	1.1
156.10535	0.9
161.04558	2.2
166.06343	28.9
167.07135	8.9
181.08691	38.4
182.08949	1.4
195.06636	3.4
197.04582	1.8
228.66025	1.0
289.07095	1.0
294.10971	2.3
305.10495	3.0
305.72534	1.0
309.13531	8.6
312.12158	8.9
327.14462	100.0
328.14874	6.8
369.15515	2.0
383.17242	2.3
401.18109	3.4
443.15439	7.1
446.56378	1.2
545.22388	61.6
546.22687	7.5
563.23389	55.6
564.24011	4.9
605.24573	10.9
606.24310	1.5
649.17621	1.0
649.31439	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	651.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58393	0.2
55.01883	0.3
57.03424	0.3
57.37490	0.3
58.00588	0.7
59.01378	22.1
70.26392	1.1
71.01381	13.4
71.05078	0.3
72.99310	1.7
73.02942	0.7
78.40598	0.2
83.01368	0.8
83.05031	0.5
85.02943	2.8
87.00866	0.8
89.02443	14.8
92.61774	0.3
95.01375	0.9
96.96011	0.7
99.00885	0.3
101.02442	11.4
101.06048	0.3
111.04547	0.5
112.40446	0.3
113.02447	5.6
119.03506	6.7
129.05576	8.2
143.03473	0.5
147.06606	1.9
179.05661	0.5
191.05598	0.9
218.32858	0.3
309.11884	100.0
310.12238	5.9
341.10706	0.6
363.15622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65665	0.4
57.03449	3.7
58.00587	1.0
58.89800	0.4
59.01380	6.1
61.98822	2.1
69.03432	0.8
69.32024	3.8
70.64086	0.4
71.01383	7.8
71.05024	0.6
72.99294	0.7
73.02945	1.5
75.00857	0.7
83.01373	1.1
83.05026	0.4
84.92038	0.4
85.02944	2.0
87.00877	1.3
87.04505	1.6
88.98794	0.8
89.02461	1.9
95.01371	0.6
95.04993	0.5
96.96011	3.9
97.06573	1.5
99.00829	0.8
101.02439	1.6
111.08174	0.8
113.02429	1.8
113.09727	0.7
116.51028	0.4
119.03506	0.6
119.33622	0.4
123.04496	0.5
123.08163	3.8
125.02402	1.1
125.09713	3.6
127.11285	1.3
131.03543	0.5
133.05064	1.2
137.02487	0.8
137.09737	2.1
139.11279	2.8
141.09183	1.1
141.12830	0.7
151.11264	0.6
153.09338	0.5
153.12859	0.7
155.10765	4.6
157.12303	0.8
161.04582	0.5
167.10791	0.7
167.41916	0.4
169.01408	0.4
169.12338	3.9
171.10205	1.8
181.12326	1.5
185.11815	5.7
187.09779	0.5
187.13371	1.9
199.13338	2.5
199.39828	0.4
201.14963	2.3
215.12852	1.6
217.14383	2.0
228.13623	3.0
229.14383	3.7
230.15242	0.9
267.19626	1.0
271.02396	0.9
297.11951	0.8
300.02737	1.0
301.03400	1.1
312.99924	1.0
319.22998	0.5
327.21616	1.8
337.23770	3.6
341.23373	0.5
343.24792	0.7
355.24866	11.8
355.29248	0.8
356.25296	0.8
371.24344	1.7
373.25906	38.9
374.26254	2.7
375.27704	2.1
387.27502	23.2
388.27866	2.4
402.71451	0.4
410.26837	0.4
415.26965	3.1
633.31622	0.8
651.35956	100.0
652.36340	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65089	1.0
56.73532	1.1
57.03437	2.3
59.01378	16.0
61.98817	2.3
62.21997	1.1
71.01376	11.3
71.58968	1.5
73.02921	2.9
75.00859	1.8
76.38702	1.1
78.83039	1.0
80.02662	2.8
81.03449	3.9
83.01360	1.7
83.05014	5.9
85.02929	3.8
87.00871	2.8
89.02448	7.2
93.03447	2.7
95.01377	1.4
95.05024	3.5
96.96004	3.3
97.02934	5.1
97.06574	2.7
99.00863	1.9
101.02445	7.5
103.62247	1.1
107.05070	1.8
108.02187	1.0
109.06586	14.3
111.04504	1.6
113.02434	4.9
121.06593	1.8
123.08135	4.5
125.09716	11.8
135.04552	2.3
135.08142	2.4
137.09712	1.3
143.03424	1.3
149.04556	1.3
149.09747	1.5
151.41809	1.0
153.93680	1.1
161.04532	2.4
161.09682	2.1
163.11253	12.3
165.12753	1.2
165.48357	1.2
171.10254	24.5
177.12848	2.1
179.10698	1.8
181.12335	2.6
185.11815	11.1
187.07843	1.1
187.09647	2.6
189.09148	1.7
191.10724	1.3
191.14384	1.9
203.14366	1.5
205.12383	1.6
207.10229	39.1
208.10574	2.3
209.11807	82.0
210.12115	4.5
211.13148	1.1
213.09167	1.9
217.12302	5.4
219.13904	1.3
221.11810	3.8
225.11288	27.1
227.12791	5.0
229.12370	1.6
231.10260	4.0
235.08246	5.9
235.13266	2.2
245.11729	4.0
247.13290	5.0
249.11293	5.1
253.09258	7.9
263.12860	6.1
265.14426	5.8
284.53516	1.1
355.22827	3.1
371.22067	1.2
373.23935	2.6
381.20972	1.6
389.23303	2.1
399.21698	12.1
407.18716	1.4
417.22644	15.1
418.22821	1.4
435.23712	3.2
443.19052	2.9
445.20578	3.5
461.20422	7.1
462.20108	1.6
484.73395	1.2
485.19702	1.6
499.21967	1.3
544.13275	1.1
627.91058	1.4
635.30670	33.5
636.31268	5.9
653.31512	100.0
654.31873	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38140	0.3
62.96408	0.7
68.32189	0.3
69.84891	1.4
78.95900	100.0
96.96924	0.3
149.00081	5.0
152.99600	0.5
179.01190	0.3
189.89482	0.3
205.15990	2.0
255.23289	1.2
285.12595	4.3
355.16827	2.1
385.17819	0.9
417.12503	0.4
447.13464	4.5
448.13742	0.3
591.21259	0.3
653.30035	56.7
654.30383	9.4
654.41254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3727
Annotation	di-trans,poly-cis-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
59.01375	0.5
69.98038	1.0
71.01392	0.4
79.95743	2.3
80.96516	0.9
85.02929	0.4
95.95235	0.2
96.96010	43.5
98.20621	0.4
100.17588	0.2
101.02438	0.4
122.97552	0.8
123.41486	0.2
138.97104	1.2
150.97047	1.0
160.03278	0.2
164.98619	0.4
180.98061	0.6
198.99120	0.3
207.94424	0.2
241.00227	1.8
487.20111	0.2
499.20166	2.2
500.20673	0.4
595.29291	0.6
652.13989	0.2
653.37244	100.0
654.37567	17.9
654.49225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	di-trans,poly-cis-Heptaprenyl diphosphate
Peak:m/z	Relative Intensity
57.03448	3.9
58.00588	1.4
59.01105	0.5
59.01379	6.8
61.02911	0.4
61.98830	6.0
64.33220	0.3
69.03433	0.6
69.22513	3.7
71.01375	7.2
72.08253	0.3
72.98935	0.3
72.99305	1.4
73.02937	2.1
75.00873	1.0
78.95908	0.5
79.95729	0.6
80.96519	0.4
83.01380	1.0
85.02954	1.9
87.00880	1.0
87.04513	4.5
88.98795	1.6
89.02435	2.0
89.48199	0.4
93.03457	0.7
96.96007	5.9
97.06571	1.1
99.00861	1.0
101.02421	2.2
109.06597	0.7
111.00902	0.3
113.02432	1.3
113.09699	0.4
115.04041	0.6
116.92850	0.8
119.03548	0.4
119.04989	0.4
120.99618	0.5
123.04573	0.5
123.08144	1.6
125.02436	1.1
125.09719	1.5
127.07500	0.4
127.11302	0.6
129.01936	0.4
131.03523	0.7
133.05055	1.0
135.08139	0.9
137.02406	1.2
137.09686	0.6
139.11308	1.0
141.09212	0.8
141.12849	0.8
149.09697	0.6
150.03186	0.4
151.00446	0.5
151.04068	0.4
151.11256	0.8
152.01144	0.5
153.09215	2.0
155.10744	2.1
157.12296	1.3
163.11256	0.5
167.10765	0.7
169.01393	0.6
169.12352	2.1
171.10243	0.9
171.13889	0.6
173.11798	0.5
179.10814	0.6
181.12306	1.3
185.11861	1.3
187.13385	1.1
192.77684	0.4
199.13393	1.3
201.14920	1.0
209.08148	1.2
209.11609	0.4
215.12773	0.9
217.14410	1.1
228.13637	0.7
229.14421	1.0
230.15005	0.6
251.20175	0.5
297.12030	0.5
311.22336	0.9
327.25317	0.7
329.23267	2.0
339.25266	1.3
343.24890	0.6
345.26212	0.5
357.26434	28.9
358.26736	2.6
359.27747	0.5
371.28232	0.6
373.25739	1.9
375.27487	38.1
376.27826	4.3
387.27536	3.4
389.29074	23.8
390.29428	2.1
417.28470	2.7
491.15546	0.4
653.37549	100.0
654.37891	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	655.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99721	0.5
56.21975	0.5
59.01374	100.0
60.01718	0.7
61.98824	3.1
71.01372	1.0
71.60384	0.5
73.13904	0.5
78.95917	2.0
85.95911	0.5
91.80741	0.4
96.99310	2.0
98.34599	0.6
101.00947	0.7
109.06597	0.7
141.01689	70.5
142.01996	1.2
142.05096	0.9
152.99539	0.9
207.10272	1.1
209.11823	0.5
211.13324	1.5
221.40079	0.6
225.11256	0.9
246.96999	0.6
253.09157	0.5
275.06250	3.4
277.21722	2.3
311.84744	0.5
317.07242	0.9
335.08743	0.6
339.05505	0.5
359.21909	1.3
361.10666	0.6
391.19614	0.7
535.27472	3.1
554.26569	0.6
595.29913	0.8
655.33679	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	655.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.3
57.03460	0.3
58.00591	0.3
59.01376	3.8
69.03445	0.5
70.31826	0.9
70.32194	0.3
71.01377	3.5
73.02940	0.5
80.02672	0.6
81.03448	1.0
83.01366	0.5
83.05024	3.3
84.02155	0.4
85.02943	1.0
87.00873	0.7
89.02444	2.5
93.03403	0.3
95.01358	0.5
95.05016	0.7
97.02935	0.9
97.06600	0.4
99.00864	0.4
101.02425	2.7
109.06586	3.3
113.02432	1.7
115.76413	0.3
118.98563	0.2
119.03522	0.3
125.02438	0.4
125.09702	0.7
135.08138	1.1
142.02678	0.4
145.10245	0.3
161.04541	1.3
161.09668	0.3
163.11272	4.5
163.58090	0.3
165.12794	1.4
171.10274	0.3
179.05557	0.5
181.12314	1.0
183.13861	2.2
184.14302	0.2
185.11795	2.1
186.12183	0.3
189.96281	0.3
191.10750	0.7
193.12308	0.5
205.12366	0.4
207.08331	0.5
207.10243	10.5
208.10583	0.4
209.11803	100.0
210.12157	5.1
211.13368	21.7
212.13683	1.1
221.15427	0.7
223.13370	0.6
225.11296	6.8
226.11859	0.4
227.12842	7.3
228.13185	0.3
233.11746	0.4
235.08232	2.0
247.13443	0.5
249.15004	0.5
251.12857	0.9
253.09268	6.7
263.16510	0.2
329.24817	0.6
339.23297	1.4
355.22400	0.3
357.20538	0.3
357.24484	0.8
373.23734	1.5
383.22269	3.1
391.24802	1.4
401.23291	5.8
402.23639	1.0
419.24417	2.6
443.19193	1.0
445.20822	1.0
447.22232	0.9
461.20255	1.8
609.32764	1.6
611.31073	0.4
619.30981	1.9
637.32251	14.5
638.32361	2.5
655.33295	7.0
656.33923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
59.01376	1.8
61.98824	0.2
65.00315	0.2
71.00996	0.1
71.01373	1.8
71.05016	0.1
72.99279	0.1
73.02943	0.3
75.00840	0.1
77.65423	0.1
78.95872	0.2
80.02672	0.9
81.03039	0.1
81.03455	1.0
83.01369	0.4
83.05019	3.6
84.02158	0.3
85.02951	0.4
87.00852	0.4
88.98789	0.1
89.02438	1.2
93.03462	0.2
95.01375	0.2
95.05016	0.6
96.96010	0.2
97.02938	0.2
97.06577	0.3
99.00861	0.2
101.02432	1.7
106.04243	0.1
107.01363	0.2
109.06583	0.5
111.00912	0.1
111.08140	0.1
113.02452	0.9
119.03500	0.3
119.05009	0.1
121.06559	0.1
123.08162	0.1
125.02426	0.2
125.06070	0.4
125.09737	0.6
131.03513	0.1
132.05827	0.1
135.04532	0.4
135.08122	0.4
136.05344	0.1
137.02425	0.1
143.03519	0.1
145.05048	0.2
149.09705	0.2
150.29895	0.1
151.00385	0.7
152.99619	0.1
155.00557	0.1
161.04550	0.7
163.11282	3.1
163.93706	0.1
164.11641	0.1
165.12820	2.1
166.13116	0.1
171.10245	1.8
177.12805	0.1
179.05566	0.2
181.12334	0.5
185.11829	0.3
191.10788	0.9
197.11841	0.1
203.14465	0.1
207.10271	0.6
209.11804	100.0
210.12131	4.7
210.14226	0.1
211.13332	0.8
219.13803	0.1
221.11969	0.1
221.15504	0.1
225.11331	0.4
227.12854	6.4
228.13171	0.3
229.12360	0.1
231.13783	0.1
235.08217	1.8
247.13399	1.3
248.14120	0.1
249.14967	0.6
251.12863	0.1
253.09254	4.5
254.09641	0.1
265.14471	0.5
285.03873	0.2
287.05557	0.6
303.16098	0.1
339.23193	0.2
357.24252	0.1
375.25342	0.1
383.22202	0.3
391.24301	0.1
401.23282	0.9
402.24127	0.1
419.24490	0.6
445.20709	2.0
446.21130	0.2
463.21628	0.1
483.22604	0.1
568.97595	0.1
619.31622	0.2
620.30634	0.1
623.28638	0.1
637.32184	3.3
638.32654	0.5
655.21301	0.1
655.33258	1.7
656.33655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
64.12778	0.6
69.73850	1.1
69.74260	2.8
71.01361	2.1
77.77919	0.6
81.20221	0.6
85.02934	1.1
89.02435	0.6
96.96004	4.4
101.02446	0.8
115.29301	0.6
121.02908	1.3
123.00872	1.9
123.04509	1.4
124.01670	2.7
125.02436	1.7
129.94211	0.6
137.02425	2.6
139.03999	5.8
145.02901	1.5
147.04460	1.4
151.00351	11.7
151.03972	2.5
152.01143	0.9
153.01872	0.8
153.05597	0.9
160.01709	0.8
161.02385	2.3
161.04555	0.6
161.06113	0.8
163.03976	2.2
164.04648	0.6
165.01860	1.2
165.05711	0.8
166.02698	34.7
167.03337	2.9
167.07149	0.9
173.02458	1.8
174.03148	1.4
175.03983	6.1
176.04610	1.0
177.05501	1.8
178.06369	1.1
179.07013	0.7
181.05048	59.4
182.05368	2.2
187.04005	0.8
188.04782	1.8
189.05562	2.1
190.06294	4.8
191.06972	0.9
192.04289	0.8
193.05025	4.9
194.05827	1.1
195.06723	0.7
203.07129	1.1
205.08679	7.2
207.06583	2.1
208.07413	5.0
223.09743	16.3
253.04984	0.8
269.04520	2.0
275.01889	1.1
284.06836	1.5
289.07199	1.5
290.07596	1.1
296.06885	0.9
297.04004	11.4
298.04367	1.2
300.99850	1.7
307.12268	0.9
309.07651	0.8
310.48785	0.7
312.06345	14.5
313.06726	0.7
327.08698	23.2
328.09079	2.3
342.06714	0.8
342.11023	34.5
343.11383	3.5
357.13391	67.5
358.13760	5.1
375.14413	15.1
376.14911	1.5
387.14621	0.9
405.15494	100.0
406.15836	10.3
415.11880	0.7
417.15610	8.7
418.16089	1.0
435.16565	13.5
435.22134	1.1
436.16766	1.9
567.20740	4.6
657.13770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03437	1.1
59.01376	6.6
59.96170	0.5
61.98832	1.0
68.99570	1.5
69.03448	1.0
71.01379	5.4
72.99335	0.4
80.02662	1.3
81.03460	2.0
83.01405	0.8
83.05020	5.3
83.05479	0.5
84.02164	1.0
85.02946	1.9
87.00874	1.2
89.02442	3.5
95.05018	1.3
96.96020	1.5
97.02938	1.2
97.06600	2.2
99.00878	0.5
101.02443	5.2
107.05027	0.5
109.06588	6.8
112.93819	0.4
112.98550	1.1
113.02448	3.1
117.60474	0.5
119.03468	0.5
121.06580	0.6
123.08136	0.5
125.02432	0.7
125.06075	0.9
125.09756	0.7
135.08162	0.9
143.03493	0.4
145.05064	0.9
151.11284	6.3
161.04576	1.7
163.11273	6.3
165.12791	2.8
167.14368	0.6
169.12337	28.7
170.12738	1.4
171.10283	1.1
179.05638	0.7
181.12302	2.4
183.13901	6.2
191.10701	1.0
193.12355	1.8
195.10222	1.4
199.13412	0.6
207.10252	11.8
208.10611	0.6
209.11813	100.0
210.12177	5.7
211.13376	99.8
212.13725	4.6
213.11275	5.0
225.11298	6.4
227.12875	15.3
228.13133	0.8
235.08241	4.0
240.86192	0.4
249.14983	1.1
253.09293	10.6
333.58246	0.4
358.85211	0.4
377.23199	0.7
403.24841	0.8
421.25537	0.6
429.21237	0.6
431.18738	0.5
445.20706	1.8
447.22260	4.2
449.20215	2.3
461.20108	1.7
595.31213	0.5
621.32434	0.9
639.30756	3.1
657.31213	47.9
658.31757	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	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03444	0.2
59.01373	3.4
65.39536	0.2
69.03447	0.5
70.96971	0.4
71.01378	2.6
72.93030	0.2
73.02940	0.6
74.37593	0.2
80.02665	0.7
81.03446	0.8
83.01362	0.4
83.05019	3.8
84.02158	0.7
85.02934	1.0
87.00859	0.7
89.02443	1.8
95.01379	0.4
95.05019	0.5
96.95980	1.0
97.02970	0.2
97.06584	0.2
101.02429	2.6
109.06616	0.3
113.02438	1.6
119.03471	0.6
125.02419	0.5
125.06060	0.7
125.09682	0.2
131.03474	0.2
133.04979	0.3
135.08154	0.5
137.64490	0.2
145.05035	0.6
161.04532	1.1
163.11276	3.1
165.12830	2.2
167.14369	0.6
171.10252	1.1
179.05586	0.4
181.12285	0.4
183.13889	6.7
184.14146	0.3
191.10733	0.6
193.12317	1.6
207.10187	0.2
209.11813	84.8
210.12173	4.5
211.13376	100.0
212.13727	5.6
227.12871	12.6
228.13271	0.7
235.08189	3.3
249.14880	0.9
253.09270	8.3
254.09375	0.3
385.23654	0.4
403.24756	0.8
429.21469	0.3
445.20621	1.5
447.22305	5.0
448.22815	0.5
615.21570	0.2
621.32971	0.7
622.32880	0.2
639.33771	0.8
657.34290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
59.01377	2.9
60.16063	0.2
67.42301	0.2
69.03446	0.5
71.01377	3.0
71.39383	0.4
73.02940	0.4
80.02686	1.1
80.68081	0.2
81.03448	1.1
83.01405	0.5
83.05024	4.0
84.02155	0.8
85.02943	0.5
87.00877	0.6
89.02431	2.2
95.01373	0.4
95.05024	0.6
96.96014	0.2
97.02982	0.2
97.06572	0.3
101.02440	2.3
109.06576	0.2
111.08135	0.2
113.02445	1.4
119.03495	0.7
125.02472	0.4
125.06081	0.4
125.09701	0.2
135.08130	0.5
143.03555	0.2
147.11812	0.2
161.04529	1.4
163.11285	2.9
164.11476	0.2
165.12837	2.2
167.10773	0.3
167.14368	0.4
171.10257	1.0
179.05568	0.6
181.12334	0.5
183.12198	0.2
183.13872	4.9
191.10727	0.7
193.12279	1.2
197.18542	0.2
209.11810	100.0
210.12149	5.0
211.13370	80.7
212.13718	4.3
215.52643	0.2
227.12860	14.1
228.13235	0.7
233.15390	0.3
235.08212	3.0
235.10376	0.3
236.08601	0.3
249.14937	0.7
253.09265	8.4
254.09605	0.4
276.40131	0.2
385.23862	0.3
403.24631	0.5
429.21231	0.4
445.20685	1.7
446.21524	0.2
447.22363	3.5
448.22525	0.2
463.21518	0.2
472.73218	0.2
621.32550	1.0
639.33685	0.6
642.67505	0.2
657.35339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56407	0.5
59.01377	100.0
60.01715	0.8
61.98826	1.3
65.66417	0.7
71.01406	0.9
71.60229	0.7
74.99091	0.5
75.17128	0.6
88.98835	0.7
89.02440	0.7
93.03452	4.0
95.01433	0.6
96.96005	3.2
113.02504	0.7
115.96844	0.5
118.98083	0.7
125.02464	0.9
135.04504	0.6
137.02422	7.8
137.03383	0.8
146.53641	0.7
151.03981	0.8
165.01929	15.4
165.03268	1.0
166.02336	0.6
179.03476	10.4
179.07103	0.6
180.04282	11.3
181.05017	2.8
193.08698	1.0
194.05823	4.0
195.06607	18.1
196.07260	3.0
197.08163	1.2
210.05345	3.1
211.09677	3.5
212.06960	1.6
225.07669	21.5
226.08029	1.2
227.09125	3.2
289.07281	0.8
305.29880	0.7
344.64578	0.6
359.11148	3.3
374.13632	7.1
375.14117	0.7
389.16028	33.2
390.16342	3.5
419.16992	0.8
423.66034	0.8
437.18109	34.2
438.18765	4.1
473.17804	0.7
497.14499	1.2
659.24957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92178	0.4
57.24028	0.4
59.01377	100.0
60.01704	1.1
61.98825	1.5
69.49065	0.9
69.49479	2.5
71.01402	1.3
74.99070	0.8
79.95725	0.5
80.96512	0.7
85.02973	0.6
87.00909	0.5
89.02444	0.6
93.03475	1.5
96.95482	0.5
96.96015	3.5
98.19900	1.0
101.02454	0.5
113.02472	0.5
123.04457	0.7
125.02396	0.5
135.24182	0.5
137.02432	5.3
151.04022	0.6
152.04813	1.1
164.01140	1.2
165.01909	13.3
166.02338	0.8
166.46535	0.5
177.05612	0.6
179.03488	9.4
180.04272	11.4
181.05074	2.1
182.05878	1.3
194.05843	3.7
195.06604	16.7
196.07263	2.4
197.04623	0.6
197.08189	1.5
202.72525	0.5
210.05276	2.9
211.09737	3.4
212.06886	2.7
225.07663	24.6
226.08138	1.4
227.09181	4.8
359.11374	5.2
374.13727	7.8
375.14474	0.8
389.16031	32.0
390.16202	3.8
419.17331	1.1
437.18103	37.0
438.18411	3.7
497.14783	0.8
584.13257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.00581	0.5
59.01101	0.5
59.01379	8.6
61.98827	1.2
69.03435	0.3
71.01377	7.7
72.99294	0.7
73.02943	0.7
75.00867	0.5
79.95737	5.5
83.01406	1.0
83.05012	0.5
85.02933	2.3
87.00867	1.2
87.04482	0.4
89.02439	6.2
93.05731	0.3
95.01412	0.4
95.95242	1.9
96.96008	100.0
97.95945	0.4
99.00851	0.7
101.02443	4.9
106.06600	0.4
113.02438	4.0
119.03527	2.1
125.02444	1.1
131.03505	0.4
133.10193	0.9
135.11742	1.6
137.02510	0.4
139.03967	0.4
143.03433	0.4
146.07289	0.7
159.08148	2.1
161.04530	1.0
161.09706	7.0
162.10089	0.5
171.10210	0.5
179.05589	1.2
179.10768	3.5
185.11778	0.8
195.10260	2.2
197.20839	0.3
203.10867	0.6
209.11829	4.3
210.12177	0.5
211.13336	0.5
213.11238	0.9
221.11855	0.4
227.12895	0.8
257.08655	0.5
273.11676	2.2
289.06979	0.4
289.11288	0.4
291.12192	0.4
298.98334	0.6
299.99042	3.4
300.99673	0.4
315.01355	3.8
315.04654	0.4
375.27588	0.4
435.17007	0.3
437.25485	0.6
446.16220	0.3
453.17892	1.0
460.65436	0.3
579.30914	0.5
599.30518	3.2
600.31067	0.8
605.45697	0.4
623.24170	0.7
627.24011	0.4
658.38275	0.7
659.27344	74.9
660.27612	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	659.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66841	0.8
51.83255	0.7
52.01211	0.7
56.56664	0.7
57.03434	1.0
59.01373	9.0
61.98820	2.4
69.03443	1.3
71.01382	7.5
73.02949	1.8
75.92271	0.7
80.02666	0.9
81.03444	1.4
83.01379	1.7
83.05023	4.6
84.02158	0.8
85.02968	2.2
87.00886	1.1
89.02446	4.5
91.03994	0.7
95.05012	1.0
96.95995	4.4
97.06572	4.2
98.20643	3.2
101.02412	5.1
113.02450	2.7
119.03461	1.0
121.11237	0.8
125.02449	1.1
125.09711	1.2
132.40823	0.8
133.05116	1.0
137.77292	0.7
151.11273	18.8
154.54324	0.8
161.04515	1.6
163.11249	3.5
165.12781	1.9
169.12332	95.5
170.12669	4.6
171.10243	2.1
179.05614	1.3
181.12334	2.1
185.11740	0.9
195.10234	2.9
197.11838	2.6
199.13361	1.1
207.10280	1.8
209.11807	51.5
210.12117	3.5
211.13245	1.3
213.11301	17.0
214.11653	1.0
225.11237	2.0
227.12930	9.1
228.34753	0.8
230.14171	0.9
235.08243	2.5
241.09901	1.2
243.12238	1.0
253.09259	6.1
256.12137	1.2
259.20590	0.9
312.99744	1.1
315.13474	2.3
379.24915	1.0
390.41232	0.8
431.19162	2.9
449.20245	11.0
573.29407	0.9
623.30634	1.0
627.24438	0.9
641.31525	6.1
659.32806	100.0
660.33167	16.8
670.96643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57812	0.4
55.01873	0.4
57.03445	2.1
59.01376	5.3
67.08453	0.4
69.03464	0.4
71.01382	5.8
71.58215	0.4
73.02949	1.7
74.90162	0.4
80.02683	1.2
81.03455	1.7
82.63645	0.3
83.01385	0.9
83.05025	6.1
84.02174	1.4
85.02946	1.8
87.00852	1.4
89.02432	3.3
93.03423	0.5
95.05040	1.2
96.96020	0.5
97.02919	0.5
97.06589	5.8
99.00867	0.6
101.02440	4.7
113.02465	1.9
116.79365	0.3
119.03480	0.8
122.05542	0.4
123.08120	0.5
125.09713	0.8
135.08159	0.5
143.03525	0.7
143.14124	0.4
145.05086	0.8
149.09734	0.7
151.11279	16.8
152.11615	0.8
152.17395	0.3
156.08742	0.3
161.04570	1.8
163.11304	3.4
165.12811	2.9
169.12329	57.6
170.12663	2.2
191.10829	1.1
193.48685	0.4
195.10295	3.2
195.40137	0.3
209.11810	73.6
210.12173	4.0
213.07539	0.4
213.09476	0.6
213.11327	7.3
227.12880	6.5
228.13052	0.5
235.08252	1.6
253.09241	4.4
303.99228	0.4
332.48526	0.4
386.45111	0.4
431.19370	2.0
445.20554	0.7
449.20200	4.6
615.33521	0.4
641.31824	2.8
645.41620	0.4
659.32776	100.0
660.33105	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	659.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36435	1.3
57.03422	1.0
59.01360	3.1
61.98812	8.2
69.44431	9.8
78.95898	100.0
80.94019	1.3
81.03445	1.3
82.21596	1.3
83.05013	3.4
84.02155	1.2
96.96952	8.1
109.02856	1.2
113.08640	1.1
123.04529	1.4
125.02455	2.4
143.82312	1.2
152.99568	57.1
163.11284	3.1
165.12790	2.2
177.79845	1.2
181.12245	1.7
192.97919	1.2
195.13890	6.5
209.11800	63.5
210.12221	2.7
211.13338	1.3
219.72643	1.4
227.12862	8.4
255.23235	8.2
277.21655	7.7
295.22754	26.1
296.23108	2.2
363.12100	32.7
364.12537	2.1
381.13065	7.2
402.47885	1.3
423.25204	6.3
431.22018	10.9
438.46997	1.2
449.23120	4.3
577.26752	2.3
659.35547	77.6
660.36108	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	659.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88864	0.7
57.03412	1.3
59.01362	3.1
61.98829	4.5
63.37339	0.7
69.48263	2.4
69.48676	3.3
71.01359	1.3
78.95901	100.0
80.02650	0.8
81.03441	1.0
81.38880	0.8
83.05023	2.7
91.11845	0.8
96.96958	8.9
98.28131	0.7
99.48212	0.8
113.09710	1.4
116.87137	0.7
125.02444	0.8
131.47142	0.8
141.01700	2.0
152.99577	54.8
167.01237	0.9
171.00705	1.0
195.12274	1.2
195.13895	11.0
197.11760	0.9
209.11804	29.0
210.12154	2.0
227.12892	3.9
255.23192	4.3
277.21716	8.0
278.22269	1.0
295.22772	40.6
296.23059	2.4
363.12143	12.6
381.13138	1.3
423.25388	4.1
431.21909	24.1
432.22290	1.8
449.23077	9.3
577.26575	1.1
659.35583	67.2
660.35925	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	661.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
69.66352	0.1
70.02502	0.1
71.01368	0.2
71.61582	0.2
75.23536	0.1
78.95898	0.8
79.95736	3.1
80.96542	0.1
87.73018	0.1
92.44919	0.1
96.96005	100.0
97.95955	0.3
109.02944	0.2
123.04443	0.2
125.02431	0.1
137.02422	0.3
138.22110	0.1
140.58516	0.1
161.02502	0.1
179.03395	0.1
193.46071	0.2
289.07080	1.0
300.02719	0.2
301.03516	0.2
307.12073	0.6
327.09021	0.3
405.04669	0.1
408.01660	0.1
463.08865	0.3
497.75897	0.1
661.18860	0.3
662.20740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90084	0.2
52.43981	0.3
55.01860	1.2
57.03448	4.5
59.01377	4.0
61.98813	0.7
67.01875	0.5
68.99802	0.7
69.03452	0.4
70.73880	0.6
70.74224	0.3
71.01374	5.7
72.99313	2.2
73.02938	0.6
75.00867	30.9
78.95875	0.4
83.01382	1.4
84.02146	0.5
85.02943	23.6
86.03297	0.3
87.00863	2.0
89.02443	0.6
95.01379	2.9
96.96001	0.4
99.00874	2.0
101.02439	0.4
111.00883	0.4
112.01627	1.1
113.02442	11.7
115.00354	0.7
116.01108	0.8
117.01942	0.6
120.29719	0.2
129.01917	1.2
130.99890	0.3
152.99570	0.2
157.01387	1.2
160.83885	0.3
171.10239	0.3
175.02455	0.8
179.99236	0.3
186.52386	0.3
186.59863	0.3
189.12798	0.3
191.14294	0.6
221.15425	0.3
379.02051	0.4
462.76654	0.3
485.32486	0.7
539.33282	0.3
557.34839	0.3
599.35901	1.1
643.34875	0.4
661.35846	100.0
662.36176	17.7
662.52710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82100	0.5
55.01865	1.4
57.03444	5.6
58.87239	0.5
59.01377	8.4
61.98826	1.4
67.01873	0.9
68.12731	0.5
68.99815	1.2
71.01376	7.9
72.99302	3.1
73.02952	0.4
75.00866	22.6
83.01378	1.2
85.02943	23.3
87.00850	2.6
89.02444	1.3
95.01374	3.5
96.95982	0.5
99.00870	3.2
101.02452	0.8
109.18204	0.5
111.00886	0.5
111.46301	0.5
112.01653	1.0
113.02447	10.5
114.02657	0.5
115.00321	0.8
116.01180	2.7
117.01915	2.7
120.08581	0.5
123.01550	0.5
128.50803	0.5
129.01898	0.8
144.63470	0.5
157.01457	0.6
160.84184	0.9
171.10237	4.8
175.02400	0.9
209.11806	0.6
211.13379	7.4
261.10828	0.5
266.43924	0.5
308.16232	0.6
375.94873	0.5
423.32635	2.8
439.32498	0.7
441.33676	5.8
485.32547	2.3
495.34714	1.3
506.35013	0.6
541.35120	0.6
585.34180	0.9
597.70294	0.5
661.35864	100.0
662.36255	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	661.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03445	0.3
59.01376	100.0
60.01704	0.9
60.89253	0.3
61.98833	0.5
71.01380	5.0
71.58195	0.4
73.02930	1.6
79.95745	0.3
83.01398	0.8
85.02943	3.1
87.00892	0.3
95.01427	0.4
96.96051	0.5
99.00889	1.0
101.02441	2.9
113.02443	2.0
159.03017	0.4
161.04527	3.1
165.01979	0.6
171.10220	1.7
211.13383	2.2
235.60336	0.3
284.02954	0.3
463.21518	0.6
545.10260	0.3
619.42072	3.8
620.42987	0.6
625.26697	0.7
661.36273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
57.24580	0.9
59.01377	5.9
60.30573	0.8
60.46540	0.8
69.03459	3.7
69.50072	4.4
71.01378	11.7
72.99294	0.9
73.02940	14.1
77.42372	0.7
83.01372	1.9
85.02444	1.7
85.02946	27.0
87.00871	100.0
88.01234	0.9
89.02441	2.1
95.01380	3.5
97.02948	27.6
99.00872	0.9
101.02406	1.2
103.04014	9.6
111.00879	1.2
113.02450	8.8
115.00388	9.6
115.04009	2.3
125.02422	1.0
126.98893	0.7
129.01947	1.7
141.01932	6.8
143.65881	0.7
148.69537	0.7
157.01398	8.6
175.02461	72.3
176.02853	2.4
191.05553	1.9
212.98866	1.1
217.03502	18.5
261.01001	1.1
303.07199	52.4
304.07489	2.4
321.03278	2.4
321.08234	41.7
322.08331	1.6
322.11661	1.3
383.57901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3743
Annotation	Quadranoside V
Peak:m/z	Relative Intensity
55.01857	0.8
56.53077	0.2
57.03444	0.6
58.00584	0.4
59.01374	8.9
60.99294	0.5
61.98827	2.0
69.03461	0.4
71.01378	8.5
71.59373	0.3
72.99294	0.8
73.02943	6.7
74.79567	0.2
75.00845	0.7
79.95758	0.3
83.01374	1.9
85.02937	4.4
86.00080	0.6
87.00881	0.6
89.02441	3.2
95.01382	0.8
96.96014	2.1
98.95551	0.3
99.00888	1.3
99.04482	0.4
101.02435	6.7
113.02451	3.7
119.03471	0.7
123.04514	0.3
125.02415	0.4
131.03439	0.3
137.02420	0.5
159.02916	0.4
161.04536	0.7
167.03439	0.3
171.10292	0.6
201.11150	0.3
209.11858	0.6
211.77081	0.3
218.84488	0.3
244.65865	0.3
358.77081	0.3
423.29034	0.6
424.29144	0.3
439.32175	0.8
440.32236	0.3
457.33432	0.5
483.31238	0.3
485.28979	0.8
501.32141	2.7
629.33160	0.3
645.36267	0.4
647.34167	3.0
648.34875	0.7
663.37451	100.0
664.37817	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	663.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.0
59.01376	29.6
59.01674	1.8
61.98832	2.8
67.01885	2.4
68.99811	3.3
71.01375	41.4
72.99297	3.9
73.02931	9.6
75.00876	4.1
78.95868	1.6
83.01378	13.5
85.02953	7.8
87.00873	14.7
89.02440	2.5
96.99326	1.3
99.00873	34.1
101.02450	8.6
111.00877	17.7
112.98803	88.0
113.02406	4.1
115.00352	7.5
124.98796	4.4
129.01936	13.4
142.99852	80.5
143.03465	1.8
145.01411	11.3
147.02969	2.8
161.04472	2.7
173.00893	100.0
174.01601	8.3
175.02393	5.4
191.01910	5.2
425.30704	3.0
473.32352	3.0
489.35818	32.9
490.36060	3.6
585.67828	1.5
663.37524	18.8
664.37262	4.7
671.21277	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	663.3746
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
50.10783	0.2
55.01880	1.3
57.03189	0.3
57.03447	4.6
59.01101	0.3
59.01378	4.4
61.98808	1.0
64.61678	0.3
67.01868	0.5
68.99790	0.7
69.03449	0.4
71.01376	6.0
72.99298	2.6
73.02961	0.5
75.00869	26.8
83.01369	1.3
84.02170	0.4
85.02946	23.1
87.00868	2.0
89.02419	0.6
95.01385	3.3
96.95989	0.3
97.02946	0.3
98.19816	0.4
99.00873	1.8
101.02419	0.4
109.06519	0.2
111.00923	0.5
112.01659	0.7
113.02441	12.4
114.02730	0.3
115.00349	0.7
116.01144	0.7
117.01931	0.8
125.49869	0.2
129.01900	0.8
157.01439	1.4
166.63895	0.2
175.02467	0.9
197.72177	0.2
205.15965	0.4
223.17043	0.4
235.16951	0.3
249.14833	0.3
263.16516	0.2
469.33398	0.3
487.34357	0.9
541.34991	0.6
587.37103	0.3
601.37598	0.7
645.36383	0.4
659.08112	0.3
663.37445	100.0
664.37775	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	664.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37361	0.8
59.01377	14.1
61.98826	23.2
64.62932	0.8
66.37619	0.8
71.01374	11.0
99.00850	1.3
112.98793	1.7
115.00359	7.1
142.99850	100.0
144.00699	6.1
145.01390	1.8
167.14473	1.6
211.13290	1.7
228.10612	1.0
229.14458	3.3
255.23267	1.1
311.11108	1.0
441.33679	1.5
457.36804	2.4
528.94989	0.9
601.37402	5.2
664.41669	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	665.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98808	0.9
63.11525	0.7
69.60596	4.5
71.01370	2.4
73.02945	0.7
87.78934	0.8
89.02428	0.9
95.01413	0.7
96.96001	4.8
101.02438	1.6
109.02958	1.2
111.00868	0.9
113.02457	1.1
123.00874	1.6
125.02409	1.1
137.02441	7.8
139.03929	1.0
145.34717	0.7
149.02487	1.3
150.03215	0.8
151.00356	19.2
151.03996	1.4
151.49454	0.8
152.01080	1.8
152.04764	2.6
166.02702	56.8
167.03308	3.3
175.03914	1.3
177.01909	1.9
181.05054	64.8
182.05415	4.1
184.03789	1.0
190.06412	1.1
191.03424	1.0
199.64832	0.8
203.03528	0.9
205.05147	1.1
205.08727	0.8
207.06532	0.8
220.07504	0.9
232.11711	0.8
285.72104	0.7
359.11298	1.4
387.10822	12.7
388.11392	0.9
402.13229	7.8
417.15512	100.0
418.15814	11.4
665.24976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23898	0.2
59.01365	0.4
60.75576	0.2
67.32877	0.2
79.95727	1.7
85.88107	0.2
95.95260	0.7
96.96004	67.8
98.95600	0.2
137.02438	0.2
164.07167	0.4
206.08194	0.4
289.11032	0.5
294.93759	0.2
307.12170	100.0
308.12488	6.1
335.12317	0.2
665.21448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03429	0.9
59.01383	6.0
61.98808	1.0
62.96117	0.7
70.73952	2.2
70.93531	0.8
71.01384	9.5
72.99296	2.6
73.02589	0.7
73.02953	4.8
83.01365	2.7
85.02953	7.0
89.02434	1.1
91.74879	1.0
95.01381	1.7
95.57544	0.8
98.20518	0.9
99.00880	1.7
101.02454	10.0
109.06601	1.4
113.02443	5.1
125.41596	0.8
151.12862	0.7
161.04478	1.6
177.12799	3.5
191.14381	3.1
193.15965	3.9
204.37486	0.9
221.15523	4.5
228.29256	0.7
237.14946	2.0
260.29886	0.8
264.44235	1.0
264.72690	0.7
265.18069	1.3
340.60617	0.8
550.76160	0.8
558.87311	0.8
585.70209	0.8
665.39008	100.0
666.39355	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	665.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97148	1.6
59.01379	19.1
61.98838	4.4
70.42596	1.9
71.01373	16.1
71.59096	1.8
84.68109	1.7
89.02439	26.3
95.01344	1.9
97.06596	5.0
101.02425	14.5
113.02473	4.2
119.03472	5.0
137.47372	2.2
156.97807	2.3
161.04518	3.7
172.44049	1.9
179.05582	16.0
186.82782	1.9
190.64806	1.8
211.35495	2.1
320.61377	1.7
391.30035	4.0
405.31461	6.8
407.33063	8.9
439.31772	2.4
441.33755	10.6
442.34274	2.1
451.32135	40.9
452.32300	5.9
453.33679	100.0
454.33960	14.7
471.34747	2.8
477.84750	2.1
485.36359	80.4
486.36591	12.9
497.32458	7.2
567.36536	3.2
571.83160	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	667.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59020	1.0
55.65742	0.8
58.16371	0.9
59.01377	1.2
62.68092	0.8
69.51640	7.2
71.01398	1.3
79.95721	4.7
89.02450	1.3
96.96004	6.3
98.19881	1.4
121.02933	1.5
127.78947	0.8
131.67400	0.9
137.02452	3.9
145.02925	1.1
147.04500	1.8
151.04025	3.3
163.03979	4.6
165.01906	4.0
165.05545	0.9
171.36659	0.9
174.03238	3.3
175.03987	12.7
176.04730	2.8
177.05482	2.2
179.03441	1.2
180.04280	8.4
181.04965	1.1
188.04814	2.7
189.05577	5.7
190.06342	19.5
191.07111	10.8
192.04248	1.4
193.05064	5.6
194.05827	5.9
195.06613	3.4
203.07106	2.9
205.08673	14.2
207.06612	6.3
208.07388	13.1
209.07742	1.2
222.08961	2.9
223.09673	1.6
281.18790	1.0
355.11816	1.3
359.10873	0.9
374.13522	3.1
389.16040	100.0
390.16327	11.8
419.16943	5.2
460.17337	1.5
475.19739	8.9
476.20087	1.2
487.19766	3.7
667.19897	8.1
668.20679	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	667.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75588	0.4
53.52119	0.5
59.01377	1.2
61.86964	0.4
69.21413	2.6
69.21844	2.6
74.80326	0.5
89.02467	0.4
90.05950	0.4
96.95985	0.8
126.01107	0.5
137.02457	2.4
139.00407	0.5
145.02971	1.7
147.04489	1.8
151.03999	2.9
152.04771	1.1
153.01999	0.6
162.03252	0.9
163.04002	2.6
165.01936	0.6
166.02705	0.7
173.02460	0.7
173.06108	0.5
174.03210	1.7
175.03996	11.5
176.04750	1.8
177.05568	1.7
179.03418	0.7
180.04266	6.0
180.87473	0.5
181.04672	0.6
188.04817	3.2
189.05568	5.1
190.06354	16.3
191.03487	0.8
191.07120	10.4
192.07593	0.6
193.05049	7.1
194.05823	7.2
199.91866	0.5
203.07127	1.8
205.04997	0.5
205.08673	15.2
206.06081	0.6
206.08997	1.2
207.06624	5.8
208.07401	11.3
209.07878	0.8
222.08910	2.4
223.09656	0.9
329.10440	0.6
374.13632	1.7
389.16052	100.0
390.16391	10.0
419.17139	6.3
420.17502	0.6
521.13135	0.7
586.15790	0.6
667.31305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02148	0.3
55.01871	1.9
57.03440	1.1
58.00595	2.6
59.01377	57.2
60.01712	0.6
61.62310	0.3
69.03458	0.4
69.56334	0.3
71.01379	38.6
71.61504	0.3
71.61932	0.3
72.01736	0.7
72.99306	3.3
73.02943	5.5
75.00868	0.5
79.95756	0.9
83.01382	2.7
85.02951	9.9
87.00887	2.1
89.02441	35.4
90.02756	0.6
91.31848	0.3
95.01378	3.1
96.96007	15.9
97.02953	0.9
99.00876	3.0
101.02440	26.5
104.09488	0.3
108.87744	0.4
111.00961	0.5
113.02448	13.4
114.02763	0.4
115.04023	0.8
117.25808	0.3
119.02644	0.8
119.03497	12.8
119.46334	0.3
120.45006	0.3
125.02416	1.7
131.03456	2.0
139.25427	0.4
143.03473	1.5
149.04518	0.8
161.04530	3.2
179.05579	2.9
233.06575	0.5
239.41180	0.3
273.50955	0.4
300.02759	0.6
301.03506	0.8
305.10611	3.5
355.21222	1.2
400.26575	0.3
487.25531	7.4
488.25900	0.6
505.09827	0.6
505.26450	0.9
535.27704	8.0
536.27942	0.6
664.76044	0.4
667.31775	100.0
668.32153	18.2
668.41418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03434	1.7
58.00591	2.4
58.40402	0.5
59.01377	61.2
60.01689	0.7
64.06841	0.5
69.03465	0.6
71.01381	38.7
72.01688	0.7
72.99302	2.7
73.02942	5.2
75.00854	0.6
79.95734	1.1
82.38757	0.6
83.01376	2.5
85.02947	8.8
87.00851	2.2
89.02441	33.5
90.02733	0.6
94.36417	0.5
95.01387	2.7
96.96009	23.8
97.03008	0.6
99.00858	1.9
101.02435	24.1
102.02766	0.5
113.02454	14.2
113.82095	0.5
119.03504	10.2
120.99673	0.6
125.02430	1.9
131.03485	1.8
134.98076	0.6
143.03493	1.6
149.04517	1.6
161.04521	2.3
173.04825	0.5
179.05594	2.5
233.06694	0.7
247.64183	0.5
300.03525	0.5
305.10651	4.4
355.21048	0.8
451.78342	0.6
487.25366	6.9
488.25647	0.7
505.26941	0.7
535.27728	6.6
536.27802	0.6
667.31750	100.0
668.32214	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01107	1.0
59.01377	14.1
61.95337	0.5
61.98828	4.9
63.02374	1.4
65.00312	2.6
68.99839	0.5
71.01377	5.6
71.17892	0.9
72.99293	0.5
73.02922	1.4
83.01379	2.0
85.02937	3.0
87.00877	0.9
87.62486	0.6
88.98796	0.9
89.02431	2.7
91.01879	0.7
93.03439	1.2
95.01361	1.2
96.95569	0.4
96.96015	4.5
97.02960	0.5
99.00861	1.4
101.02444	3.5
105.95444	0.5
107.01385	4.5
108.02147	2.4
109.02928	3.6
109.06586	1.0
113.02438	3.4
119.01356	0.5
120.99606	0.6
121.02962	4.6
123.04522	13.5
125.02419	1.8
135.00900	1.2
135.08151	0.7
137.02420	1.4
142.12921	0.5
145.02910	1.0
148.01642	1.6
149.02435	1.0
150.03180	0.5
150.29214	0.5
151.00357	20.3
152.00963	0.9
153.01959	0.5
153.05568	12.5
159.04509	0.6
161.02388	0.7
161.04526	1.6
163.00365	5.0
163.03970	0.7
164.01115	1.3
165.01765	0.5
169.01389	2.1
171.10335	0.8
178.99843	11.6
179.10680	0.7
183.04471	1.1
186.70787	0.6
187.04025	0.8
190.99852	0.5
192.00623	0.7
199.03970	1.0
201.05629	0.9
207.10236	1.3
209.11787	1.2
211.03908	1.6
215.03410	0.7
216.04068	0.6
223.09709	0.7
225.11263	1.5
226.02621	2.5
227.03479	4.5
229.01405	0.6
229.05026	1.6
243.02943	12.8
244.03494	1.2
245.04483	1.9
254.02156	3.1
255.02972	29.8
256.03366	2.1
257.04782	0.5
271.02444	68.6
272.02948	6.5
273.03900	2.6
283.02386	2.7
299.02045	1.6
300.02725	100.0
301.03482	83.8
302.03839	6.4
315.10602	0.6
343.04626	0.6
353.23242	1.0
371.24384	5.6
373.25882	0.9
389.66904	0.5
445.07144	0.7
463.08783	29.0
464.09174	3.1
507.20108	1.2
625.19153	41.8
626.19556	7.6
639.29321	8.2
639.38989	0.6
639.79535	5.1
651.30511	1.2
669.18262	32.7
669.30627	4.4
670.18561	6.1
690.77612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96225	0.4
59.01382	3.1
61.98837	3.3
63.02397	1.5
65.00325	2.5
70.45818	0.9
70.46220	1.1
71.01375	3.0
73.02948	0.5
75.73215	0.4
75.95643	0.4
83.01404	2.1
85.02952	1.6
89.02438	1.2
93.03479	0.7
96.96006	4.1
99.00914	0.8
101.02445	1.3
104.16614	0.5
106.59596	0.6
107.01383	5.2
108.02177	1.3
109.02929	3.1
113.02457	1.2
121.02947	4.4
123.04518	1.7
125.02422	1.5
135.00880	1.6
139.04007	1.0
145.03023	0.6
148.01686	1.4
149.02467	1.0
150.06889	0.5
151.00365	21.4
153.05560	1.0
159.04507	0.5
161.02454	0.7
163.00407	3.6
163.04016	0.9
163.07538	0.5
164.01103	1.1
169.01463	1.2
175.03970	0.6
178.99852	9.5
179.10803	0.7
180.00262	0.7
181.21890	0.5
187.03969	1.0
190.99876	0.8
191.03630	0.6
193.01494	0.7
199.03984	1.7
203.03375	0.5
207.10347	0.7
209.11794	1.1
211.04004	1.5
215.03543	1.1
216.04346	0.6
219.33775	0.5
223.09787	0.6
225.11372	0.9
226.02682	2.1
227.03485	4.2
229.01329	0.5
229.04956	1.4
239.03395	0.8
243.02975	11.9
244.03430	1.4
245.04623	2.4
254.02147	3.9
255.02959	29.1
256.03452	2.5
271.02454	63.7
272.02911	6.3
273.03955	2.3
283.02457	2.7
285.03741	0.6
299.01974	1.9
300.02734	99.4
301.03482	100.0
302.03827	7.5
343.04135	0.6
371.24335	0.7
463.08798	44.7
464.09344	4.6
507.20142	1.0
625.19202	33.8
626.19373	5.9
651.30121	0.7
669.18201	27.6
669.30188	1.7
669.38428	2.0
670.18677	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	669.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
62.42213	0.7
65.38935	0.5
66.07714	0.5
66.58064	0.5
69.25647	5.1
71.01380	2.2
71.58788	0.6
72.30627	0.5
72.99304	0.7
85.02933	1.5
86.12918	0.7
87.00864	0.7
89.02438	0.8
96.96021	4.0
99.00894	0.7
101.02404	1.6
109.02935	2.2
113.02446	1.4
113.05417	0.6
118.83422	0.5
120.99629	1.8
121.02969	1.0
122.90246	0.6
124.01657	2.5
125.02433	5.4
137.02434	12.6
138.03256	3.9
139.04013	5.4
145.02937	0.6
149.02415	0.8
150.03156	1.1
151.03987	4.3
152.04793	3.3
152.05780	0.7
153.02011	0.7
153.05540	0.7
156.25404	0.5
159.54216	0.6
162.03258	0.6
163.04012	1.4
164.04758	1.5
165.05551	2.5
169.01390	0.7
175.03993	0.7
176.04785	1.6
177.05518	3.8
179.03470	1.3
180.04272	3.8
181.05048	9.1
182.05418	0.7
184.03757	0.9
189.05531	0.8
190.06241	0.9
191.07077	1.1
194.05840	4.4
195.04811	0.9
195.06602	16.8
196.06866	0.6
205.08702	0.7
206.05878	1.6
207.06677	2.1
208.07440	0.7
209.08154	3.0
221.08226	0.6
236.06870	0.7
237.07593	0.7
343.12024	0.6
361.12943	3.5
375.14389	1.8
377.15814	0.7
391.13937	10.9
392.14340	1.4
406.16260	15.3
407.16443	1.8
412.11905	0.6
421.18640	100.0
422.19003	10.1
440.95615	0.7
669.20563	1.4
670.19537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01378	25.2
60.00295	1.3
61.98824	3.5
62.42274	1.4
66.92908	1.3
69.03445	2.8
69.23331	6.9
69.23761	6.8
71.01376	17.2
72.99285	2.0
73.02939	4.0
74.48270	1.4
77.08060	1.3
80.02642	2.5
81.03440	6.6
81.59780	1.2
83.01355	3.2
83.05025	8.6
85.02930	5.8
87.00858	3.6
89.02433	9.9
89.78371	1.3
93.03429	1.9
95.01378	2.4
95.05010	3.3
96.96004	2.8
97.02934	13.3
97.06570	6.1
97.72580	1.3
97.80843	1.4
99.00887	3.6
101.02455	11.4
103.91429	1.4
107.05009	2.1
108.02184	2.1
109.02896	1.9
109.06584	44.6
110.03697	2.3
110.06899	1.7
111.04563	1.7
113.02435	8.3
119.03495	2.7
121.02993	1.4
121.06554	1.4
123.04453	1.5
123.08105	3.0
125.02380	2.5
125.09722	21.2
127.38499	1.6
133.06538	1.5
135.04515	2.1
135.08151	7.3
142.02715	2.6
145.05042	3.0
161.04524	3.5
161.09695	5.2
163.11267	24.6
165.09064	1.5
171.10245	4.8
175.11243	3.9
179.10643	2.6
181.12231	5.5
185.11911	1.6
187.09738	7.5
189.09178	2.9
191.10759	3.1
203.10745	2.2
205.08684	2.1
207.10242	99.5
208.10542	7.9
209.11812	28.3
219.10326	3.4
219.13892	2.2
223.09665	5.9
223.13286	7.1
225.11307	56.1
226.11613	3.3
227.12830	3.2
229.12242	2.0
235.08241	5.1
235.13309	3.1
237.11292	5.6
245.11772	2.0
253.09274	9.7
261.11237	3.4
263.12854	7.1
283.20645	1.8
308.27026	1.4
309.22305	1.4
327.19681	3.4
343.19138	1.9
361.20132	1.7
369.20557	5.4
371.18433	4.8
371.22452	2.9
379.21207	2.1
387.21783	4.7
389.19556	5.0
393.01511	1.4
397.20129	9.7
415.21228	20.9
416.21649	2.3
433.22150	6.4
443.19241	3.1
461.20209	17.4
475.76932	1.9
507.25555	2.7
597.28961	6.3
607.27643	18.8
608.27991	2.9
623.31189	3.9
625.28528	39.7
626.29211	7.7
633.29047	12.6
651.30139	100.0
652.30536	20.7
669.31213	56.4
669.39941	2.8
670.31616	10.5
678.39813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83117	0.2
53.99099	0.3
56.88924	0.3
57.03442	1.0
59.01095	0.5
59.01376	6.2
61.98822	0.4
66.29657	0.3
69.03453	2.0
69.48924	1.8
69.53698	0.3
71.01375	4.8
71.05015	0.7
73.02946	0.7
73.25956	0.3
75.00890	0.3
78.94416	0.3
79.19588	0.3
80.02675	0.9
81.03442	1.4
83.01382	0.9
83.05019	4.6
84.02171	0.7
85.02956	1.2
85.06583	0.7
87.00878	0.8
89.02438	2.7
93.03449	0.3
95.01395	0.4
95.05020	0.7
96.96010	0.3
97.02946	0.4
97.06554	0.4
101.02430	3.9
105.72736	0.2
109.06578	1.2
113.02452	2.5
119.03503	0.8
120.00818	0.3
125.06112	0.5
125.09740	0.7
135.08165	0.7
143.03485	0.4
145.05038	0.5
149.09711	0.5
161.04518	2.0
162.06892	0.6
163.11284	3.4
165.12843	1.8
167.10762	2.8
169.12302	0.3
171.10275	2.1
177.12888	0.5
179.05580	0.7
179.10745	1.0
179.14384	3.0
180.14719	0.3
181.12363	0.5
187.11156	0.3
191.10779	0.8
195.13884	8.9
196.14265	0.8
197.11795	0.3
201.57991	0.3
205.12328	9.8
206.12651	0.6
207.10207	0.6
209.11810	92.0
210.10309	0.3
210.12151	4.2
223.13373	100.0
224.13719	5.6
225.11258	0.7
227.12874	17.4
228.13240	0.9
235.08205	4.5
253.09261	10.3
254.09534	0.6
261.14938	1.8
397.23672	0.4
415.24698	0.6
433.25861	0.5
441.21252	0.9
445.20630	1.2
459.22318	12.4
460.22552	1.5
633.32837	1.0
634.32782	0.4
650.10931	0.3
651.33203	1.3
669.38416	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	669.3852
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
51.14999	0.2
57.03424	1.3
59.01374	2.0
61.98834	0.8
65.05114	0.3
70.12240	0.9
71.01376	1.7
72.56401	0.3
73.02962	0.4
83.01408	0.4
85.02947	1.2
87.00871	0.5
89.02464	0.9
91.34912	0.3
92.89924	0.3
95.01389	0.4
96.95985	1.9
98.19958	0.4
99.04522	1.0
100.68451	0.3
101.02437	1.0
108.02180	0.3
111.04484	0.5
111.08166	0.4
113.02434	0.7
113.06117	0.6
123.04472	0.3
125.02447	0.7
127.28664	0.3
135.08133	0.9
136.05246	0.5
137.06120	0.3
148.05174	0.3
149.06068	5.9
150.06857	42.7
151.00375	0.5
151.07263	1.6
153.09175	0.5
154.60043	0.2
155.10722	0.4
157.08704	0.9
161.09700	0.8
162.06854	0.7
163.07654	10.4
163.11304	0.3
164.08424	6.4
169.01416	0.4
169.12241	0.7
171.10309	0.4
176.08427	1.4
177.09201	0.8
178.09990	3.4
179.10760	12.1
180.11183	0.4
207.10187	0.7
209.11845	0.5
223.09705	0.3
225.11253	0.7
255.15878	0.3
263.20117	0.6
279.23367	0.7
281.21207	0.8
281.26852	0.3
283.19238	0.4
301.03558	0.5
325.23853	0.8
327.21741	4.5
328.22208	0.4
335.14734	0.3
415.28979	0.5
428.29315	1.1
443.31726	0.9
444.32291	0.9
446.30319	9.6
447.30698	1.2
460.32062	1.4
461.32693	11.4
462.33075	1.6
471.31033	0.4
488.31516	2.0
489.32047	2.0
506.32410	2.5
507.33191	26.9
508.33600	4.0
669.38538	100.0
670.38892	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	671.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01379	2.8
70.40428	1.0
71.01381	11.3
73.02949	3.8
83.01393	1.1
83.05027	0.6
85.02946	5.4
87.00873	0.9
89.02438	1.4
93.03456	0.4
95.01392	1.0
96.96004	1.3
97.02944	0.8
99.00880	1.7
99.04515	0.9
101.02438	7.0
108.02155	2.2
109.02957	3.3
113.02438	6.6
119.05075	0.4
121.02956	2.2
121.06570	0.6
122.03737	100.0
123.04574	15.9
124.04847	0.6
125.02459	0.8
127.03913	0.4
135.04539	1.4
136.05293	0.4
137.02429	2.3
137.06064	1.8
143.03436	0.8
147.04515	1.4
149.06104	0.6
150.05576	0.5
152.01204	0.5
159.02986	1.7
159.04364	0.4
161.04550	14.5
165.04153	0.7
165.05548	6.2
167.03456	2.1
169.01408	0.5
177.05560	3.0
191.05504	0.4
272.60373	0.5
277.76581	0.4
285.09802	4.2
286.09985	0.6
295.10342	1.8
300.99786	0.7
327.09244	0.5
329.08762	75.8
330.08936	4.2
350.53955	0.4
475.34314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21688	0.3
55.01891	0.5
57.03442	1.0
59.01379	9.9
60.46797	0.3
61.98835	0.5
69.03450	0.7
71.01373	6.4
71.05019	0.5
72.99333	0.5
73.02944	1.8
80.02680	1.7
80.16606	0.4
80.68293	0.3
81.03440	3.7
83.01395	1.4
83.05021	7.0
84.02164	1.1
85.02937	2.0
87.00861	1.9
89.02441	3.4
93.03452	1.4
93.62595	0.4
95.01387	0.7
95.05025	1.7
96.95996	0.9
97.02948	5.5
97.06606	1.1
99.00878	1.7
99.04510	0.5
101.02426	4.1
107.05032	1.1
109.06586	20.4
110.03727	2.0
110.06939	0.7
111.04534	1.1
113.02436	2.3
119.03440	1.1
121.06594	1.5
123.04456	0.4
123.08150	0.8
125.02438	0.8
125.06084	0.8
125.09749	2.1
135.08159	3.3
136.05290	1.3
142.02715	1.5
145.05020	1.1
149.09639	0.5
151.07597	0.8
161.04553	1.1
161.09717	1.7
163.07581	0.4
163.11275	16.1
164.11656	0.8
165.09189	0.5
165.12857	3.3
167.15802	0.4
171.10268	4.3
179.05608	0.8
179.10745	0.8
181.12311	3.7
185.11906	2.0
187.09737	0.7
189.09200	1.8
191.10823	1.4
199.13489	0.4
201.11288	1.2
207.10242	55.9
208.10616	3.0
209.11809	100.0
210.12149	4.9
211.44666	0.4
217.12125	0.6
221.11763	0.8
223.13321	0.9
225.11296	32.2
226.11671	2.5
227.12868	12.2
228.13252	0.6
230.18288	0.5
231.10197	0.9
235.08168	3.7
235.13388	1.1
243.12338	1.1
245.11697	0.5
247.13437	0.9
249.11246	1.3
253.09286	10.2
263.12793	1.2
265.14334	1.1
281.13983	0.7
299.14996	1.1
322.31964	0.4
355.22916	0.9
371.22195	0.5
373.23938	0.9
381.20746	0.5
389.23303	0.5
399.21640	5.0
400.22107	0.5
405.17206	0.6
406.86288	0.4
417.22763	4.6
418.23105	0.6
435.23764	0.5
443.19131	3.5
445.21033	0.7
461.20282	9.8
462.20456	1.3
485.20129	0.4
517.75281	0.4
580.06891	0.4
609.28687	0.6
625.32397	0.5
627.29828	0.6
635.30652	10.9
636.31415	2.8
653.31696	14.6
654.32288	2.7
671.32690	26.3
672.33105	5.6
699.36798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13960	1.3
57.03467	1.3
59.01372	8.8
61.98820	5.6
63.55217	1.2
71.01377	14.7
71.58064	2.2
71.58440	1.5
73.02917	2.2
77.80213	1.3
78.95900	4.8
79.45876	1.1
80.02647	2.2
80.77504	1.2
83.01378	1.5
83.04983	6.1
84.02174	1.6
85.02965	2.4
87.00866	1.7
89.02467	2.9
95.05014	4.7
95.48492	1.1
97.02946	3.6
99.04471	1.4
100.95779	1.3
101.02427	7.6
109.06585	8.4
110.03726	2.2
113.02435	3.5
119.03492	1.9
125.09664	1.3
125.49306	1.2
131.55301	1.2
135.08138	1.3
137.09622	1.3
152.99529	2.8
159.60130	1.2
161.04543	2.7
161.09782	1.2
163.11278	14.5
165.12801	2.3
168.65837	1.5
169.12399	1.8
171.10223	5.8
179.05521	1.4
179.10721	2.2
181.12250	2.4
189.09183	4.8
197.11740	4.1
201.11295	1.3
207.10251	32.7
208.10468	1.5
209.11807	100.0
210.12138	5.1
225.11296	95.6
226.11618	5.3
227.12827	14.3
235.08278	8.4
253.09241	13.1
256.82925	1.4
334.07712	1.4
399.21909	1.6
410.51913	1.4
443.19037	4.9
445.20618	2.3
461.20163	18.7
635.30334	3.2
653.31799	8.7
654.32391	2.5
671.32556	16.5
672.33569	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	671.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03445	0.6
58.60601	0.4
59.01374	9.1
65.03954	0.4
69.03478	0.4
70.95580	0.5
70.95907	0.5
71.01382	5.2
73.02941	0.8
80.02690	2.0
81.03452	3.1
83.01388	0.7
83.05018	7.7
84.02171	1.0
84.45032	0.3
85.02950	1.4
87.00864	1.6
89.02438	3.4
93.03461	1.4
95.05001	1.8
97.02933	5.0
97.06580	0.7
99.00877	1.4
101.02444	3.8
102.04002	0.4
104.22913	0.4
107.05039	0.6
109.06585	20.8
110.03745	1.3
110.06950	0.6
111.04536	0.6
113.02469	2.6
119.03532	0.8
121.06577	1.1
123.04491	0.4
123.08148	0.9
125.09696	2.1
133.05157	0.5
135.08163	3.4
136.05286	1.1
142.02708	1.0
143.03476	0.4
145.05080	0.9
161.04553	1.5
161.09680	2.1
163.11275	14.0
164.11537	0.7
165.12827	2.4
171.10237	2.9
179.05605	0.6
179.10680	0.4
181.12320	3.3
185.11850	2.6
187.09680	0.8
189.09183	1.3
191.10820	1.1
201.11363	0.5
203.10706	0.4
207.10240	51.8
208.10574	3.8
208.68622	0.4
209.11806	100.0
210.12137	5.7
213.09198	0.8
221.11867	1.0
223.13416	0.8
225.11296	24.6
226.11726	1.6
227.12865	13.4
228.13148	0.7
231.10262	1.5
235.08206	3.3
235.13504	0.9
243.12474	0.5
245.11812	0.6
247.13289	0.9
249.11339	1.2
253.09274	8.7
263.12891	1.1
265.14456	1.7
281.14053	0.5
299.15060	1.2
355.22620	0.5
373.23901	1.0
381.20810	0.6
389.22995	0.5
399.21686	5.7
400.22211	0.6
402.55618	0.4
405.82376	0.4
417.22812	4.5
418.23865	0.4
435.23608	0.9
443.19193	2.8
445.20688	0.8
461.20294	9.5
462.20651	0.8
485.20166	0.4
491.26242	0.7
499.21713	0.6
609.28979	0.5
627.30212	0.9
635.30652	12.1
635.40814	0.7
636.31024	1.8
653.31714	13.3
654.32294	2.2
671.32739	26.0
672.33014	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	671.4008
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03423	0.6
59.01378	3.8
60.99076	0.3
61.98813	0.7
69.18792	0.3
71.01387	1.7
73.02942	0.5
79.00397	0.3
83.01375	0.5
83.05032	0.4
85.02946	1.6
87.00875	1.2
89.02446	0.5
91.15564	0.3
96.95994	1.2
99.04482	0.8
101.02446	0.9
109.06570	1.1
110.03735	0.4
113.02439	1.1
113.06081	0.4
119.13723	0.3
119.62970	0.4
120.05796	0.4
121.02982	0.5
121.23504	0.3
123.02022	0.3
125.02425	0.4
127.11233	0.3
129.30580	0.3
135.08104	1.8
136.05292	0.7
137.06073	0.4
137.09737	0.6
149.06068	4.3
150.06854	39.1
151.00337	0.7
151.07358	1.4
155.10764	0.5
161.04576	0.4
161.09698	0.9
162.06825	0.4
163.07642	9.4
163.11247	2.0
164.08429	5.9
170.29648	0.3
171.10275	0.5
176.08423	2.1
177.09099	1.0
178.09966	3.3
178.99933	0.7
179.10771	11.1
180.11006	0.7
193.08594	0.5
207.10254	4.6
209.11819	8.7
210.12163	0.5
225.11328	4.2
227.12752	1.6
235.08199	0.6
243.02991	0.5
253.09296	1.1
255.02946	0.6
265.21713	0.7
271.02484	1.2
299.99271	0.4
300.02634	1.9
301.03406	4.5
327.25391	1.4
329.23340	4.8
330.23621	0.6
334.21268	0.3
430.31061	1.0
445.33536	0.8
446.33679	0.7
448.31876	8.0
449.32144	1.1
461.20108	0.9
462.33469	1.4
463.34219	12.0
464.34555	1.3
476.30905	0.5
490.32642	1.7
491.33759	2.4
508.33969	3.4
509.34790	29.2
510.35275	3.3
611.37201	0.4
635.30188	0.8
653.31506	1.0
671.40149	100.0
672.40521	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98810	0.9
65.00319	0.8
69.78737	2.9
71.01361	1.2
96.95984	0.9
107.01389	2.9
109.02937	1.1
121.02901	1.5
125.02425	1.5
125.17756	0.7
147.04480	0.6
148.01720	1.0
151.00368	11.0
163.00388	1.6
164.01132	0.8
169.01427	1.4
175.29388	0.7
178.99831	4.5
211.03804	0.7
223.00653	0.7
226.02690	1.1
227.03464	1.5
243.02994	6.4
246.04964	0.7
254.02145	1.6
255.02965	19.3
256.03287	1.7
271.02457	38.6
272.02936	3.6
273.03870	0.9
300.02716	83.1
301.03427	33.3
302.03879	2.0
371.67184	0.7
609.14545	100.0
610.14868	13.7
672.25122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14363	1.5
57.03450	8.4
59.01361	7.4
60.77728	1.4
60.99293	2.7
61.98817	3.7
67.58846	1.5
69.44085	13.3
71.01358	5.6
72.99915	1.5
73.02939	2.6
74.99063	2.1
80.96488	2.0
81.03460	2.9
83.01366	5.4
85.02919	2.7
88.98789	15.7
89.02434	2.4
93.03427	4.9
95.01385	2.2
96.96003	20.8
97.02919	4.0
99.00835	2.4
101.02430	4.6
109.02937	4.8
113.02435	4.5
117.40173	1.7
121.02950	2.8
123.00900	1.9
123.04518	4.4
125.02438	46.7
131.05090	1.7
133.02921	2.1
137.02429	27.9
139.04008	2.4
143.05013	3.2
145.02887	4.5
146.03697	3.1
147.04491	3.6
149.02454	4.0
150.03151	2.2
151.00352	3.2
151.03951	5.3
153.01819	2.2
154.02563	1.7
158.03740	1.8
159.04495	12.7
160.05190	2.0
161.02390	5.9
161.04489	1.7
161.05995	3.3
163.00294	3.0
163.03931	2.9
164.01118	4.1
164.04710	5.3
165.01874	12.6
166.02310	1.9
167.03491	12.9
169.01349	3.2
171.04544	11.7
173.02455	2.0
173.06021	4.3
174.03197	8.6
175.03984	9.4
175.07637	2.3
177.01891	3.7
179.03453	5.5
183.04489	2.7
185.02386	2.3
187.03993	16.4
188.04762	22.1
189.05545	26.6
191.03484	13.0
197.02330	2.4
198.03210	5.5
199.04013	16.7
201.01759	2.1
202.02797	2.0
203.03455	5.8
205.04982	5.8
211.03952	4.7
212.04707	2.6
213.01816	3.1
213.05475	3.4
214.02562	5.1
215.03488	14.1
215.06891	1.8
216.04187	6.0
217.05031	38.3
219.02875	4.2
225.01999	2.1
225.05418	4.9
226.02582	2.3
227.01315	2.4
227.03459	32.4
227.07063	2.2
228.03838	2.6
229.01476	2.3
229.04964	2.8
229.08640	1.8
233.04442	5.7
239.03391	2.1
241.04964	2.4
242.02101	5.0
243.02986	22.1
244.03476	3.1
245.04485	5.7
245.08138	3.0
245.71338	1.7
249.05618	2.7
253.05061	4.5
255.02914	7.1
255.06615	3.2
257.04495	4.1
258.01584	1.6
259.02356	2.1
261.04031	2.1
267.06500	2.3
271.02448	25.6
279.06165	2.2
280.03687	1.7
281.04468	10.7
283.02414	5.3
285.04315	1.9
289.07260	13.1
299.05411	4.0
300.02713	17.9
301.03433	7.0
305.04568	2.1
319.05939	2.4
321.07620	2.0
323.05566	6.0
325.03448	2.1
329.06427	1.9
337.07126	3.6
347.05453	6.1
349.03629	4.0
365.06747	8.4
367.04657	10.5
381.05807	4.7
383.11148	4.0
391.04477	6.4
407.07605	7.8
409.05524	13.4
425.08755	2.6
449.14349	14.0
465.13553	3.2
479.15756	8.8
505.13614	18.2
507.14993	40.7
508.15408	5.7
517.13556	16.5
518.14410	2.5
529.13342	2.1
535.14532	27.5
536.14795	2.5
547.14825	4.5
583.10846	22.1
584.11200	4.7
611.17377	1.6
629.18365	5.5
645.17682	2.3
655.16376	4.9
673.17603	100.0
673.29388	4.1
674.17883	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	673.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.2
57.03444	10.8
58.81575	0.7
59.01372	2.3
67.01894	0.8
69.03460	0.8
69.45607	4.7
71.01370	3.4
72.99306	0.9
74.99095	1.0
79.01900	1.4
79.95741	2.3
81.03445	1.6
83.01388	4.5
85.02959	1.3
87.00868	0.9
93.03466	1.5
95.01379	1.6
95.05001	1.4
96.96004	7.4
97.02959	3.0
99.04492	0.9
107.01384	4.2
107.04992	1.2
108.02209	1.0
109.02946	10.6
111.00890	1.0
113.02424	1.0
116.92850	0.8
119.05093	0.8
121.02949	3.4
122.03736	1.6
123.00867	6.9
123.04527	9.8
124.01631	1.8
125.02441	100.0
125.24036	0.6
126.02753	2.7
132.02161	0.9
133.02963	1.5
135.04466	1.5
136.98956	1.2
137.02437	21.5
139.00374	2.7
139.03992	2.2
140.01154	1.4
146.03752	1.8
147.04489	1.5
148.01682	0.6
149.02469	4.0
150.03200	1.9
151.00400	4.2
151.04015	9.2
153.02144	0.7
158.03720	0.8
159.04521	3.3
160.01665	1.7
160.05260	2.7
161.02441	5.3
161.06052	3.3
162.03203	1.1
163.00348	3.1
163.03976	2.9
163.07629	0.9
164.01157	6.8
165.01912	11.5
167.03493	2.8
168.00624	2.1
169.01411	29.9
170.01755	1.1
173.06059	1.9
174.03186	1.5
175.03990	6.0
175.07599	4.9
176.01161	1.1
176.04758	0.8
177.01913	7.6
179.03474	4.3
181.05164	0.8
183.02963	2.7
184.05226	0.7
185.06004	0.9
187.04010	5.2
187.07605	1.0
188.04678	2.4
189.05486	1.5
199.04002	1.9
200.04678	1.5
201.05479	1.6
201.09229	0.9
202.06262	1.2
203.03490	1.0
203.07100	6.2
205.01465	3.4
205.05087	4.2
211.04042	1.6
212.04765	0.9
213.05600	1.5
215.03511	1.2
215.07106	1.2
215.12915	0.8
217.04878	1.2
217.08698	1.7
221.08200	1.0
225.05751	1.0
227.03453	1.9
227.07106	1.3
228.04243	2.5
229.05025	4.1
229.08669	2.2
231.02989	0.8
238.06270	0.7
243.02879	1.5
245.04472	1.2
245.08142	6.2
247.05994	1.0
255.03008	6.7
255.10178	0.9
256.03842	4.6
257.04349	1.3
257.08151	5.8
269.04471	1.2
272.06995	0.7
273.03925	4.1
281.04623	1.4
282.01550	1.2
283.02319	1.9
285.04034	2.3
286.04773	2.4
287.06003	1.1
287.09555	7.3
289.07169	31.5
290.07553	2.4
297.03873	1.0
299.05444	1.1
313.05585	7.6
315.12442	1.3
323.12836	1.0
329.06659	2.7
329.13882	2.0
339.08643	2.4
339.12378	1.0
341.10202	2.0
367.11948	3.4
381.09793	1.4
383.11313	11.9
384.11777	1.0
385.12885	3.8
395.11359	4.5
401.37650	0.7
407.07663	33.8
408.08087	3.5
425.08707	15.1
426.09109	1.4
469.12274	0.7
485.11993	5.1
496.82877	0.7
503.13290	6.0
504.13593	1.1
511.25690	1.6
521.14423	4.4
522.14014	0.8
529.14801	2.9
547.16040	8.3
548.16357	1.4
673.21112	54.6
674.21521	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	673.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14008	0.6
57.03446	13.2
59.01377	1.9
59.60695	0.6
61.98820	0.6
63.48488	0.5
67.01893	0.8
69.38655	4.4
70.27789	0.5
71.01382	2.2
74.99081	0.6
77.03987	0.8
79.95729	3.3
81.03445	2.0
83.01390	4.2
85.02962	1.2
85.74355	0.5
87.00890	0.7
90.98575	0.8
93.03458	2.2
95.01393	1.6
95.05029	1.2
95.95248	1.2
96.96007	8.3
97.01617	0.6
97.02953	4.1
99.04499	1.0
101.02454	0.9
107.01385	2.5
107.05010	1.3
108.02197	1.1
109.02946	13.8
111.00873	1.6
113.02428	0.7
117.03468	1.0
119.05015	0.7
121.02971	3.9
122.03780	1.5
123.00884	5.2
123.04520	11.5
124.01640	1.9
125.02441	100.0
126.02769	3.1
131.05005	1.2
132.02168	0.6
133.02925	1.4
135.04514	1.9
136.98871	0.5
137.02438	22.6
139.00386	1.6
139.04031	3.2
140.01202	0.7
141.01933	0.5
143.05016	0.6
145.02940	1.6
146.03719	1.9
147.04544	1.5
148.45573	0.6
149.02431	4.3
149.06082	0.9
150.03157	1.9
151.00395	3.3
151.03989	9.0
158.03688	0.6
159.04510	4.6
160.01659	1.1
160.05264	2.6
161.02438	5.7
161.06078	3.9
162.03104	1.4
163.00365	3.5
163.04048	3.5
164.01154	5.4
165.01921	12.0
166.02519	0.8
167.03493	2.4
168.00661	1.7
169.01408	16.2
171.04527	0.6
173.06067	2.2
174.03200	1.2
174.06873	0.7
175.03999	7.4
175.07654	3.9
177.01917	7.4
177.05504	1.3
179.03456	4.3
181.05038	0.6
183.02974	1.3
184.05048	0.5
185.06017	1.1
186.06990	0.6
187.04004	6.0
187.07634	1.6
188.04782	2.3
189.01826	0.9
189.05547	1.7
192.04369	0.5
193.05034	0.9
199.03969	1.7
200.04759	2.2
201.05534	2.0
201.09250	0.8
202.06337	1.7
203.03508	1.4
203.07114	7.5
205.01405	3.9
205.05037	4.8
211.02341	1.2
211.04109	0.7
212.04715	0.8
213.05580	1.9
215.03511	1.5
215.07077	1.1
217.05060	1.7
217.08676	2.8
218.05785	0.6
221.08128	1.0
225.03719	0.6
225.05760	1.7
227.03459	1.9
227.07100	1.1
228.04201	2.0
229.05014	3.7
229.08681	2.4
230.05862	1.0
231.02943	0.9
237.05591	0.8
239.07214	0.9
241.05092	1.1
243.03035	2.6
245.04454	1.2
245.08162	7.6
247.06100	1.7
255.03003	6.6
255.10359	1.1
256.03732	4.7
257.04510	1.6
257.08148	7.3
258.08539	1.0
269.04507	1.2
271.04538	0.8
273.04031	5.2
281.04514	2.1
281.08267	1.1
283.02402	2.1
285.03952	2.8
286.04803	2.1
287.05627	1.6
287.09534	9.9
288.02750	0.7
289.07159	37.3
290.07431	2.2
297.07675	0.8
297.11249	1.0
299.05707	1.2
313.05701	2.3
321.07617	0.7
328.05783	0.6
329.06619	2.9
329.13852	0.9
339.08670	2.5
339.12262	0.8
341.10229	1.8
359.14877	1.3
367.11832	3.3
381.09744	2.1
383.11301	15.6
384.11768	1.7
385.12991	3.2
389.25174	1.0
395.11359	3.8
396.11246	0.9
407.07681	39.2
408.07895	3.7
423.24048	0.7
425.08765	18.8
426.08997	1.6
467.09879	0.8
477.15182	0.7
485.12558	2.6
503.13370	4.7
504.14453	0.7
511.26102	1.2
521.14307	3.8
522.14459	0.8
529.15363	1.7
547.16089	10.7
548.16504	2.2
673.21124	37.8
673.31183	2.4
674.21277	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	673.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10290	0.3
57.02352	0.4
57.03454	1.1
59.01378	1.9
61.06054	0.4
61.98824	0.9
67.01896	0.6
69.03448	1.0
69.28222	3.7
71.01378	4.3
72.99300	0.7
73.02958	0.8
74.99089	0.4
79.01901	0.9
81.03445	0.8
83.01392	1.6
85.02958	1.3
87.00877	1.0
89.02454	0.6
93.03473	0.6
95.01375	2.0
96.96003	4.0
97.02966	1.7
99.00894	0.4
101.02415	2.2
107.01389	10.5
109.02954	1.7
110.00122	0.7
111.00871	2.1
113.02422	2.2
115.00414	0.5
120.99678	0.5
121.02954	1.7
123.00883	12.3
123.04534	0.9
124.01686	1.5
125.02443	59.1
126.02824	1.6
127.00389	0.7
136.98930	1.2
137.02432	2.9
139.00362	5.1
139.03986	1.5
140.01152	2.8
141.01912	1.4
149.02428	0.9
150.03168	1.0
151.00359	9.2
151.04022	1.4
153.01918	1.0
159.04544	1.4
160.05280	1.3
161.02451	1.6
161.06039	1.3
163.03975	0.7
164.01135	0.6
165.01855	2.0
165.05592	0.5
167.03502	1.9
168.00638	3.8
169.01411	69.2
170.01741	2.5
175.03984	0.8
175.07637	1.4
177.01961	0.9
177.05458	0.5
178.06325	0.5
179.03441	1.0
183.02971	4.1
193.01393	0.8
195.06421	0.4
203.07166	0.6
211.02493	1.7
215.03439	0.6
217.08844	0.5
223.02354	0.6
241.03546	1.3
241.08711	0.5
245.08269	0.6
253.03554	0.8
255.02983	0.6
257.08292	0.7
269.08145	2.2
283.09769	1.4
287.09641	0.7
289.07089	3.2
290.07376	0.5
297.06116	0.9
299.09238	1.4
300.09991	0.5
311.09311	2.4
312.09756	0.7
313.05630	16.3
314.05951	1.4
314.11548	2.5
315.12265	2.5
325.10852	0.5
326.11566	2.2
327.07285	0.9
327.12140	0.7
329.06467	0.4
329.13965	4.0
330.14063	0.4
341.13962	1.1
343.11780	0.5
367.11810	0.7
383.11487	0.6
385.13263	0.8
407.07605	2.2
425.08667	0.8
511.17062	0.4
547.15875	0.5
608.27448	0.4
637.24023	0.5
673.21259	100.0
674.21576	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	673.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16236	0.4
57.03445	1.3
59.01378	1.8
59.80719	0.4
61.98820	0.7
62.53115	0.4
67.01889	1.1
69.03459	1.5
71.01375	3.4
71.61359	0.5
72.99321	1.0
73.02937	0.7
79.01900	1.2
83.01382	1.1
85.02961	1.8
87.00861	0.7
89.02421	0.9
93.03429	0.7
95.01389	1.8
95.05025	0.4
96.96009	2.4
97.02933	2.0
101.02441	2.2
107.01379	11.8
107.42277	0.4
109.02944	1.6
111.00877	1.7
113.02436	1.9
120.99640	0.6
121.02983	2.3
122.03773	0.4
123.00886	11.2
123.04501	1.1
124.01646	1.5
125.02439	59.1
126.02776	1.3
127.00340	1.0
135.04521	1.1
136.98820	1.8
137.02431	4.0
139.00380	5.0
139.04016	1.4
140.01167	2.4
141.01894	1.3
145.02974	0.5
147.04434	0.8
149.02408	1.2
150.03206	0.9
151.00374	8.0
151.04001	1.6
153.01953	0.7
159.04503	1.1
160.05289	1.9
161.02393	1.6
161.04651	0.6
161.06052	1.1
163.04004	0.7
163.85068	0.4
164.01007	0.4
165.01883	2.1
165.05516	0.4
167.03477	1.2
168.00645	4.8
169.01413	67.7
170.01772	2.1
173.05995	0.7
175.03996	0.9
175.07610	1.6
177.01965	0.7
177.05577	0.4
178.06155	0.6
179.03444	1.0
181.01208	0.7
183.02959	4.0
185.16861	0.5
187.03909	0.4
193.01453	0.5
203.06871	0.6
209.04453	0.5
211.02429	1.5
227.07086	0.5
229.08658	0.5
241.03491	1.4
253.03433	1.0
257.08081	0.7
269.08173	1.9
281.08194	0.5
283.09747	1.2
287.09494	0.6
289.07114	2.8
297.05853	0.5
297.11462	0.5
299.09253	1.5
311.09280	2.9
312.09912	0.5
313.05612	17.1
314.05881	1.1
314.11475	2.8
315.12280	1.6
326.11566	1.5
327.07318	0.9
327.12589	0.8
329.06573	0.9
329.13889	3.9
341.13937	1.0
383.11508	0.5
385.12897	1.4
407.07571	1.8
425.08557	0.8
463.82907	0.5
490.16534	0.4
519.92957	0.4
589.23236	0.6
673.21295	100.0
674.21643	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	673.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58483	1.2
54.50798	1.2
55.01871	1.6
57.03434	2.0
59.01381	11.1
61.98808	4.8
65.20065	1.2
71.01379	49.1
73.02943	3.8
78.95900	16.7
79.13866	1.1
81.03450	1.8
83.01385	1.5
83.05019	5.6
84.02170	1.5
85.02943	4.6
87.00864	2.0
87.84490	1.0
89.02421	4.6
96.96938	1.6
97.02960	3.2
99.00856	3.4
101.02431	6.7
109.06574	10.0
111.00878	1.4
113.02429	5.6
125.09712	2.3
129.02010	1.2
152.99628	9.0
155.15538	1.4
161.04536	2.9
161.09634	1.5
163.11249	10.8
165.12830	1.9
171.10287	7.6
181.12346	3.5
183.13866	11.2
185.11736	2.9
199.13351	13.9
201.11269	5.1
207.10229	32.6
208.10515	2.5
209.11806	56.5
210.12115	4.7
211.13373	100.0
212.13757	6.9
225.11298	21.5
227.12880	41.9
228.13199	4.0
229.32066	1.6
235.08286	6.0
243.12212	2.0
247.13339	1.5
253.09274	12.4
361.10590	2.7
373.23709	1.8
373.95688	1.2
379.11319	1.4
383.22171	2.8
401.23367	6.3
419.24243	4.1
434.54242	1.2
438.37448	1.3
443.18884	1.6
445.20374	2.3
447.21860	3.9
461.20221	5.0
463.21701	5.9
503.76978	1.4
569.33081	1.3
637.31421	7.3
655.33081	9.2
656.33929	4.0
673.33862	23.8
674.33856	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	673.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
58.00591	0.2
59.01376	1.9
60.66973	0.2
69.76933	0.8
71.01377	1.8
73.02941	0.3
80.02670	1.2
81.03464	1.3
83.01375	0.3
83.05022	4.9
84.02166	0.8
85.02956	0.5
87.00883	0.3
87.12914	0.2
89.02449	1.5
95.05003	0.5
97.06589	0.2
97.56120	0.2
101.02442	1.6
104.68896	0.2
109.06592	0.5
113.02438	0.9
113.19691	0.2
125.06072	0.5
125.09698	0.3
135.08148	0.8
149.09721	0.2
161.04532	0.7
163.11270	4.0
165.12814	2.3
168.70598	0.2
171.10249	1.6
179.05603	0.2
181.12288	0.5
191.10777	0.7
209.11815	100.0
210.12158	6.0
226.03259	0.2
227.12871	11.9
228.13211	0.7
235.08220	1.3
247.13451	1.0
253.09261	5.2
367.79456	0.2
401.23062	0.2
445.20801	0.9
467.92850	0.2
593.29077	0.2
637.32495	0.6
673.35681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41154	0.4
57.03447	1.2
58.00594	1.4
59.01378	6.3
61.98820	0.8
65.60091	0.4
69.03453	0.6
69.30752	3.3
71.01380	4.9
71.05029	0.6
72.99309	0.5
73.02950	1.8
78.95933	0.4
80.02689	1.2
81.03452	1.7
83.01396	1.5
83.05023	5.6
84.02143	0.7
84.63995	0.4
85.02956	1.4
87.00877	1.2
89.02435	2.9
93.03462	0.9
95.01421	0.7
95.05033	1.4
96.96023	2.2
97.02936	1.1
99.00845	0.5
99.72394	0.4
101.02436	4.8
109.02940	1.7
109.06595	0.7
111.00848	0.5
113.02431	2.9
119.03497	1.0
119.60320	0.4
121.02959	0.7
123.04518	2.3
125.02436	5.4
125.06046	0.5
125.09710	1.2
134.03683	0.4
135.04532	0.4
135.08138	1.4
137.02492	2.2
139.03909	0.5
143.03459	0.5
145.05038	0.6
149.02394	0.5
151.00349	0.8
151.03999	0.7
153.05547	1.1
153.12877	1.0
155.14415	0.6
159.04475	0.6
161.02443	0.5
161.04544	1.7
163.04019	0.5
163.11282	4.5
164.01102	0.7
165.01921	0.8
165.12843	2.8
169.01355	0.5
171.10272	2.0
171.13924	0.6
178.99959	0.4
179.03468	0.8
179.05586	0.8
181.12332	1.7
183.13937	1.1
191.10738	1.5
199.13385	14.1
200.13705	0.8
203.07115	1.1
205.05052	0.5
207.10269	0.8
209.11804	100.0
210.10310	0.6
210.12160	6.6
211.13319	0.5
221.08229	0.4
221.11899	0.6
221.15314	0.4
225.11273	0.7
227.12863	61.0
228.13184	3.9
229.14384	1.7
235.08141	3.2
245.08232	1.3
245.13997	0.6
247.13231	2.1
249.14807	0.7
253.09265	9.0
265.14474	0.7
285.03934	0.5
289.07162	11.1
290.07434	0.8
303.05188	0.7
401.23410	2.7
407.07745	1.2
419.24255	2.4
420.24713	0.7
445.20737	2.3
463.21796	7.1
464.21887	0.6
511.25311	1.4
637.32214	5.1
638.32562	1.5
655.33136	5.5
656.33441	1.2
673.23724	0.8
673.27087	0.6
673.34131	4.3
673.74023	0.5
674.34839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03445	0.5
59.01375	8.2
59.01652	0.9
61.98816	0.9
67.64008	0.5
71.01381	7.8
71.35896	0.5
72.99303	1.1
73.02950	2.1
80.02671	1.9
81.03471	1.7
83.01394	1.0
83.05023	4.7
84.02161	0.9
85.02949	2.2
87.00861	1.2
89.02449	4.5
91.34082	0.5
95.01350	0.6
95.05048	1.0
96.96040	0.9
97.02946	0.7
97.06613	0.8
98.19897	1.0
99.00896	0.7
101.02427	5.2
102.20785	0.6
109.06563	1.3
111.08164	1.2
113.02464	2.7
119.03499	1.0
125.02472	0.7
125.09847	0.6
135.08177	0.9
161.04474	2.6
163.11261	4.2
164.09016	0.5
164.11581	0.6
165.12834	10.5
171.10324	0.7
179.05626	0.7
181.12328	0.9
183.13892	100.0
184.14241	5.2
191.10753	1.2
197.11833	1.1
199.13362	0.8
207.10214	2.1
209.11816	85.1
210.12167	5.2
211.13394	3.3
225.11349	2.5
227.12897	18.4
228.13184	1.8
229.20750	0.8
235.08192	4.0
253.09283	8.0
264.29947	0.6
397.16266	0.6
419.23346	0.8
436.91379	0.7
445.20618	1.8
449.88434	0.5
463.21719	5.7
611.27136	0.5
637.30621	0.9
655.32635	3.1
673.34308	86.8
674.34747	18.5
687.27887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56420	0.4
57.03437	1.9
59.01375	4.5
61.98832	2.2
67.01880	0.8
69.03471	0.7
69.38034	3.8
71.01377	5.1
71.05036	0.5
72.99301	1.0
73.02950	1.4
79.01880	1.2
79.95759	0.6
80.96465	0.4
81.03444	1.1
81.33398	0.4
83.01385	1.9
83.05017	0.6
85.02943	1.9
87.00854	1.5
88.98805	0.5
89.02446	1.8
93.03436	2.5
95.01373	2.9
95.04994	0.8
96.96011	5.7
97.02934	1.8
99.00896	1.1
101.02448	3.0
107.01373	4.2
108.78917	0.4
109.02946	4.2
110.00095	0.7
111.00184	0.5
111.00873	3.4
113.02449	2.6
113.47819	0.4
119.03518	0.5
121.02933	1.3
121.39178	0.4
122.03783	0.8
123.00882	13.9
123.04469	2.4
124.01711	1.0
125.02444	23.8
127.00372	1.1
133.02925	0.7
135.04507	0.7
136.05304	0.5
136.98865	1.3
137.02437	8.4
139.00377	4.1
139.04068	1.1
140.01219	2.9
141.01927	1.3
143.03407	0.6
143.12410	0.4
145.02951	0.5
149.02414	1.6
150.03244	0.7
150.06871	0.7
151.00366	8.9
151.04001	3.1
153.01889	1.4
159.04448	0.6
161.02467	1.3
161.04575	0.8
162.76608	0.4
163.03952	1.0
163.07497	0.6
164.01138	2.0
165.01926	3.3
165.05560	0.8
165.09235	0.8
166.99815	0.4
167.03477	1.1
168.00671	2.5
169.01413	17.5
170.01747	0.6
174.01656	0.5
175.03923	0.7
175.07735	0.7
177.01915	1.0
179.03448	1.6
179.05548	0.5
179.10715	0.7
181.04950	0.9
187.04056	0.9
188.04648	0.7
199.13168	0.5
201.11330	0.9
201.14787	0.5
202.06291	0.5
203.03580	0.5
203.07143	1.4
205.01312	0.5
205.04971	1.3
209.11807	8.7
211.02481	0.7
217.08635	0.7
227.03462	0.7
227.12920	2.8
245.08241	2.1
253.03456	0.5
253.09174	0.5
255.02992	0.6
285.03909	1.0
287.05731	0.9
289.07172	15.6
290.07468	1.6
300.02530	0.7
313.05667	0.7
365.10092	0.6
377.64636	0.6
383.11255	1.3
389.25473	1.0
407.07507	0.6
414.28790	0.6
475.18033	0.8
511.35986	1.6
673.34381	100.0
674.26544	0.7
674.34747	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	675.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42042	0.1
57.03456	0.1
59.01369	0.3
60.03072	0.1
69.63445	0.6
71.01369	0.2
74.51305	0.1
79.95735	3.0
80.56141	0.1
85.02945	0.4
87.00858	0.2
89.02440	0.2
92.09187	0.1
93.03454	0.3
96.96004	100.0
97.95959	0.3
98.95612	0.1
109.02917	0.3
119.05022	0.1
120.99646	0.1
123.00903	0.1
124.45043	0.1
125.02438	0.8
137.02432	0.3
149.02425	0.1
151.03940	0.1
161.02481	0.3
163.03969	0.2
169.01428	0.2
173.04523	0.2
175.03883	0.1
191.05597	2.8
205.05066	0.1
289.07211	0.4
305.21423	0.1
327.08783	0.3
362.00363	0.1
407.07758	0.3
422.31680	0.1
425.09082	0.5
451.10303	0.2
501.14035	0.2
577.13593	0.3
675.19098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03260	0.1
58.64988	0.1
69.56296	0.6
71.01394	0.1
72.99284	0.1
79.95732	3.3
83.63853	0.1
87.00875	0.1
93.03422	0.1
96.96008	100.0
97.95956	0.3
108.04520	0.2
109.02975	0.2
112.58500	0.1
119.05050	0.2
125.02458	0.7
128.23982	0.1
131.07233	0.1
137.02452	0.1
150.05608	0.3
153.01984	0.1
161.02467	0.2
163.03987	0.2
191.05595	0.5
289.07169	0.3
327.08661	0.3
389.10849	0.1
407.07892	0.2
425.09021	0.2
463.03424	0.4
482.61420	0.1
577.13635	0.2
675.22144	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01753	0.6
57.03437	0.8
59.01366	1.8
66.12456	0.5
67.01113	0.6
67.01878	1.1
67.47733	0.6
68.12423	0.5
69.03455	0.7
69.23708	1.5
69.24111	4.4
71.01375	3.4
79.01894	0.8
79.95725	1.3
81.03432	0.8
83.01406	1.4
85.02937	1.5
87.00864	0.8
95.01369	1.8
96.96009	1.4
97.02938	1.3
101.02408	1.6
107.01398	10.0
109.02931	2.8
111.00871	3.2
113.02402	1.3
120.99676	0.6
121.02943	3.8
122.03780	3.3
122.39515	0.5
123.00881	13.2
123.04481	1.7
124.01624	2.0
125.02439	49.4
126.02744	1.5
127.00371	1.5
135.04483	1.0
136.98901	1.2
137.02400	2.6
138.03314	0.7
139.00362	5.5
139.03981	1.6
140.01105	2.8
141.01913	1.1
147.04491	2.6
149.02417	1.3
150.03204	0.7
151.00360	8.4
151.03999	1.4
153.01897	1.3
161.02429	1.5
161.06085	0.9
163.00278	0.9
165.01959	1.2
165.05582	5.2
167.03528	1.0
168.00603	4.9
169.01416	59.9
170.01730	1.9
177.01855	0.7
179.03534	1.0
179.07097	1.8
182.69630	0.6
183.02991	5.6
203.07173	0.8
205.01355	1.6
206.44910	0.6
211.02444	1.2
228.32730	0.7
241.03514	1.3
243.96735	1.6
273.30310	0.6
289.07147	1.5
297.05957	0.9
313.05585	14.7
327.06989	1.3
329.06555	1.1
346.13998	0.9
347.15118	3.5
347.53702	0.6
361.16571	5.7
362.16638	0.9
523.16693	0.8
675.22888	100.0
676.23145	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84743	0.2
54.51906	0.2
57.03443	0.3
59.01380	3.1
59.10907	0.2
61.50356	0.2
61.98829	3.6
64.23408	0.2
71.01383	1.4
73.02934	0.5
74.99097	0.4
76.54187	0.2
79.95716	2.3
80.96509	2.2
85.02937	0.5
87.00893	0.4
89.02424	0.7
94.98051	0.7
95.01385	0.4
95.95263	0.9
96.96002	79.1
97.02974	0.3
101.02427	0.8
105.04819	0.2
109.02935	0.5
120.99615	0.3
122.05627	0.3
123.00920	0.4
123.04513	0.3
125.02453	2.3
135.02974	0.3
136.99120	0.6
137.02438	0.7
151.00372	0.3
164.98579	0.4
165.01939	0.4
169.01422	1.6
195.85797	0.2
206.60355	0.3
225.00706	1.0
289.11118	100.0
290.11465	6.3
299.04514	0.3
316.29160	0.3
330.56885	0.3
476.24011	0.4
507.86496	0.3
675.22333	1.4
675.32977	6.5
676.22601	0.4
676.33228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.1
59.01373	16.8
61.98819	3.3
62.49629	1.2
65.39547	1.1
69.03452	1.3
71.01375	13.7
78.95854	1.1
80.02683	1.3
81.03450	3.2
83.01376	1.1
83.05025	4.0
85.02943	4.4
87.00874	2.4
89.02451	7.0
91.24229	1.0
95.05038	3.3
96.95986	4.1
97.02956	3.8
97.06580	4.7
98.19833	2.3
101.02424	10.2
107.05064	1.3
109.06589	17.8
110.06919	1.3
113.02459	7.0
119.03484	2.7
120.87244	1.0
125.02489	1.4
125.09694	3.3
135.08154	4.0
142.02676	1.6
145.95175	1.1
151.11284	25.3
161.04536	4.0
163.11276	12.0
169.12328	100.0
170.12634	4.3
171.10236	11.1
174.12845	1.1
180.20250	1.2
181.12321	4.8
185.11813	2.7
195.10194	6.3
197.11800	11.4
201.11285	1.6
207.10252	45.7
208.10652	3.3
209.11787	13.9
210.12111	4.1
211.13326	4.0
213.11319	24.2
225.11285	23.0
227.12828	3.1
235.08240	5.5
253.09193	10.1
287.14911	1.6
315.22968	1.5
359.22296	4.5
359.27670	1.2
377.23224	5.0
431.18948	3.1
443.19128	2.6
449.20248	20.9
450.20645	2.6
461.20236	9.5
507.30084	1.2
582.73419	1.3
613.32092	1.5
615.30035	1.8
639.30182	9.1
640.30005	1.5
657.31238	31.4
658.31738	8.2
675.34869	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28453	0.6
53.60585	0.6
55.01876	0.8
57.03436	3.6
59.01376	10.8
61.98820	10.8
69.03448	1.5
71.01378	9.0
72.99319	1.0
73.02940	2.5
75.00856	1.3
79.95741	1.4
80.02717	0.7
81.03449	1.6
82.95444	0.8
83.01367	1.5
83.05016	5.7
84.02160	1.0
85.02956	3.7
85.33681	0.7
87.00871	1.9
89.02435	5.2
93.03441	0.8
95.01386	0.8
95.05038	1.3
96.76278	0.5
96.96006	23.5
97.06594	1.9
99.00901	1.1
101.02438	5.3
101.73595	0.7
109.06596	0.7
110.01129	0.7
113.02446	4.6
113.29866	0.6
119.03493	0.9
123.04505	1.1
123.08186	1.2
125.02432	1.3
125.09716	4.0
128.28259	0.6
135.08125	1.4
137.02417	1.4
139.11308	2.4
141.12856	1.7
155.10692	1.2
161.04594	1.3
163.11269	4.0
165.12866	2.3
167.10777	4.7
169.12344	2.1
171.10239	3.5
185.11816	75.7
186.12117	3.7
191.10864	1.2
197.11931	0.8
201.11348	2.3
209.11815	64.8
210.12149	7.3
211.13362	1.2
213.11275	0.9
225.11363	0.8
227.12883	10.2
228.13258	2.4
229.10950	2.4
229.13412	1.1
235.08287	1.6
253.09355	4.5
289.06842	0.8
289.11264	3.4
303.05078	1.2
406.30191	0.7
447.18585	0.9
465.19995	1.7
504.10892	0.7
513.21814	3.0
603.30292	1.5
615.30682	1.5
631.26294	1.0
639.33765	1.1
657.31915	2.1
675.32495	100.0
676.32788	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	675.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74654	0.2
55.01869	1.4
57.03436	1.4
58.00594	2.4
59.01376	49.8
60.01706	0.7
61.98824	0.5
67.01898	0.4
68.99817	0.5
69.03448	2.6
71.01377	43.4
72.01712	0.6
72.99298	3.5
73.02947	7.1
75.00862	0.9
78.95876	1.5
81.03458	1.9
83.01382	5.0
83.05027	0.5
85.02950	9.7
86.00072	0.4
87.00869	10.8
87.04494	0.5
89.02438	35.9
90.02763	0.3
91.04008	0.9
93.03461	0.5
95.01382	3.4
95.05031	0.3
97.02944	7.7
99.00865	2.7
99.04525	0.5
101.02436	35.9
102.02782	0.6
103.00369	0.5
103.04020	0.7
109.02935	0.8
111.00889	1.0
111.04491	1.3
112.01653	0.3
113.02443	18.0
113.06093	0.3
114.02787	0.6
115.03983	1.0
119.03492	12.0
121.02953	0.9
123.00894	0.4
123.04520	0.5
124.01659	0.5
125.02435	15.4
126.02796	0.3
127.04000	0.7
127.07656	0.3
127.85946	0.2
129.01869	0.5
130.96207	0.2
131.03506	1.9
133.05067	1.2
135.04488	0.3
137.02443	0.4
139.04013	1.3
141.01938	0.9
141.09183	0.2
143.02393	0.4
143.03490	7.0
144.03828	0.4
149.02475	0.3
149.04523	1.3
152.99570	0.7
153.05452	0.3
155.10849	0.2
157.05016	0.2
161.03223	0.4
161.04555	7.6
167.03494	1.1
169.04977	0.3
171.02969	0.6
179.05600	7.9
180.05864	0.3
185.04504	0.7
191.03467	0.3
199.06105	0.6
203.05583	0.6
209.11742	0.3
217.07172	1.3
219.05070	0.2
221.06633	2.9
233.22737	0.6
235.08206	15.7
236.08578	0.6
242.09839	0.2
245.06657	1.1
253.09233	3.7
259.20609	0.5
263.07648	1.6
273.21774	0.2
275.20044	0.6
277.09573	1.4
277.21692	100.0
278.22037	8.7
287.07681	3.9
288.08133	0.3
291.23111	0.3
295.22815	0.3
305.08771	4.3
323.09830	1.8
361.11356	0.6
379.12405	1.2
397.13458	95.2
398.13782	7.2
415.14520	38.7
416.14880	2.5
675.35199	0.8
676.35278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
52.19330	0.3
55.01861	0.4
57.03430	0.8
57.13819	0.3
59.01374	3.8
61.98819	1.2
65.59841	0.3
66.88293	0.3
67.01876	0.9
69.03453	0.6
71.01389	2.9
71.61523	0.3
72.99300	0.8
73.02933	1.2
75.00819	0.3
79.01878	0.9
79.95724	0.6
81.03426	0.3
83.01371	0.8
85.02953	1.6
87.00866	1.3
89.02428	0.7
95.01398	2.2
96.96000	6.4
97.02947	0.7
99.00883	0.4
99.04558	0.3
101.02410	1.6
107.01391	3.8
109.02965	0.8
111.00863	2.3
113.02430	1.0
115.74356	0.3
117.12686	0.3
119.03514	0.3
123.00886	13.8
123.04464	0.5
124.01665	0.6
125.02440	15.2
125.19529	0.3
126.02767	0.5
127.00356	0.8
127.03957	0.3
128.56288	0.3
135.04539	0.5
136.98804	1.2
137.02419	1.0
138.99326	0.3
139.00374	4.3
140.01180	3.4
141.01967	1.8
145.03011	0.4
150.99164	0.6
151.00360	9.1
151.03955	0.6
151.61485	0.3
152.00775	0.3
153.01921	1.1
161.04552	0.5
161.28990	0.3
163.04092	0.4
165.01854	0.5
165.05569	0.5
166.09756	0.3
167.03537	0.2
168.00652	1.9
169.01419	16.4
170.01724	0.5
179.03470	0.5
179.10783	0.4
181.05000	0.3
203.07153	0.4
203.14365	0.4
209.04434	0.4
209.11771	0.5
221.15431	0.8
265.14438	2.4
287.05771	0.3
289.07355	0.3
289.11185	0.3
291.07611	0.4
299.99069	1.0
313.05640	1.3
315.01489	0.9
454.68149	0.3
469.20978	0.3
524.16406	0.3
675.35907	100.0
676.36340	16.0
676.48175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71361	0.7
59.01367	2.5
61.98828	2.4
70.85203	1.5
70.85530	0.8
78.95898	1.8
93.09029	0.7
96.95986	0.9
136.92613	0.7
204.17122	0.8
230.70683	0.8
352.74649	0.8
388.29385	0.9
438.13315	2.4
465.64404	0.8
481.15100	12.6
482.15341	3.0
495.16443	3.7
539.15729	2.1
540.16443	4.5
554.18201	0.8
555.18909	20.2
556.19086	4.7
572.15509	5.7
573.15491	1.5
627.20569	2.7
641.11829	1.3
641.22491	27.0
642.22693	6.7
677.20160	100.0
678.20422	27.0
678.32227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	55.5
61.98826	19.8
65.75981	3.8
71.01378	21.8
73.02944	8.7
78.95903	6.9
85.02940	6.4
89.02475	5.5
96.96021	7.1
101.02434	11.7
113.02451	6.4
116.92834	7.5
152.10934	4.2
161.04488	7.3
163.11263	6.5
197.11804	39.7
200.88509	4.6
207.10260	21.6
209.11879	7.7
225.11276	11.2
239.45557	5.2
253.09114	5.6
280.90530	4.4
372.73553	4.3
387.21719	8.1
461.20233	7.2
473.36508	8.3
490.32104	4.5
542.00879	5.2
595.30768	5.9
617.40436	10.9
623.30670	41.1
624.31580	9.3
635.41693	9.9
641.31927	32.5
642.32275	7.6
677.30341	12.5
677.42969	100.0
678.42743	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	677.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	41.6
60.78863	5.2
61.98827	100.0
71.01377	10.1
71.59268	8.0
78.95882	5.6
96.96004	6.8
101.02459	5.6
103.41072	4.8
133.17006	4.8
160.99937	6.0
209.11652	7.0
211.13380	64.3
271.02557	10.3
272.49506	5.5
300.02768	10.4
447.22327	11.9
623.34460	17.8
641.35205	9.9
643.33618	5.9
677.33258	32.0
678.33484	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	677.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29684	7.3
59.01367	24.4
61.98804	13.8
65.30313	7.5
78.95473	9.1
78.95901	100.0
101.02496	8.8
131.08615	8.5
152.99574	51.7
201.11295	19.9
209.11813	54.4
210.12149	9.7
211.13405	78.4
212.13962	7.8
295.22833	14.9
320.17487	7.7
381.12848	11.3
447.22021	15.9
659.35504	15.4
677.35394	80.4
678.35504	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	677.3536
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
50.10577	0.7
55.01867	1.2
55.10184	0.7
57.03447	4.3
59.01107	0.8
59.01374	12.4
60.01641	0.7
61.98822	4.9
71.01380	7.2
71.58543	0.8
72.98889	0.6
72.99296	2.6
73.02934	0.9
75.00463	1.3
75.00866	19.9
78.95894	0.7
83.01359	1.7
85.02944	22.1
87.00865	2.7
89.02430	0.9
95.01388	1.4
96.95990	1.3
99.00877	2.3
112.01622	1.0
113.02448	13.2
115.00362	1.1
116.01107	3.1
117.01922	1.7
157.01472	0.9
205.36151	0.8
209.11813	0.8
252.93472	0.7
347.47278	0.7
409.31104	1.1
439.31937	2.1
453.30084	1.7
457.33105	5.0
501.32205	2.0
677.35358	100.0
678.35809	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	677.426
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
55.01867	2.3
57.03445	1.4
59.01374	78.1
61.98819	8.6
71.01378	18.1
71.59069	1.4
72.99301	1.4
73.02940	8.6
75.00846	1.2
78.95886	3.4
83.01376	4.1
85.02945	11.2
87.00858	2.8
89.02425	4.3
95.01371	2.4
96.96017	1.3
97.02923	1.0
99.00877	2.7
101.02429	12.7
105.94491	0.8
113.02440	8.9
119.03500	2.3
125.02404	1.5
134.74518	1.0
152.99600	2.3
159.02953	1.1
161.04494	1.5
209.11723	1.5
211.13379	5.6
229.49162	0.8
307.21863	0.8
399.29544	0.8
427.32245	3.0
439.32059	1.1
443.35373	2.6
457.33167	11.5
458.33578	2.2
473.36517	13.9
474.36661	1.7
587.39410	1.1
601.37109	4.1
602.37451	1.3
605.40430	1.8
617.40460	89.2
618.40765	15.6
619.38770	3.1
623.34369	1.6
635.41553	35.8
636.42084	7.4
636.52057	1.1
638.80939	0.9
677.42755	100.0
678.43005	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17986	0.1
54.92988	0.1
57.03418	0.1
58.02965	0.3
59.01376	11.1
60.01697	0.4
61.98812	0.4
69.03474	0.1
69.38587	0.9
70.02943	0.1
71.01373	1.7
72.04515	0.2
72.99274	0.2
73.02930	0.2
75.00854	0.2
80.05055	0.2
80.61739	0.1
81.03451	6.9
82.03792	0.2
83.01378	0.3
83.05020	16.8
84.05354	0.4
85.02945	0.7
87.00861	0.4
89.02431	0.7
93.03419	0.2
95.01350	0.2
96.96009	1.3
99.00906	0.3
100.07655	0.2
101.02411	0.8
107.06130	0.3
108.04538	0.6
109.02992	0.1
111.00887	0.2
113.02454	0.9
118.93346	0.1
119.03481	0.3
120.99669	0.2
125.02452	0.3
125.07193	1.2
126.05592	0.5
131.03442	0.2
137.02370	0.2
143.08240	0.5
151.03918	0.1
157.13425	0.2
161.04532	0.2
165.01895	0.1
183.14986	0.1
191.05524	0.2
199.18228	0.2
207.15025	1.2
208.13358	0.2
222.15979	0.2
224.17665	2.7
225.16061	13.0
226.16391	0.6
228.06331	0.1
242.18710	0.7
265.63058	0.2
268.16556	0.2
289.07001	0.2
290.22369	0.3
291.20850	0.2
309.21683	0.7
324.26450	0.7
333.22842	0.9
339.27234	0.2
341.29172	1.0
344.11996	0.2
351.24078	0.3
367.27002	1.2
385.28281	0.3
411.29660	0.2
429.17499	0.3
433.31802	1.4
434.31702	0.2
450.34476	1.5
451.32870	6.4
452.33099	0.7
476.32617	0.2
550.43365	1.0
551.43988	0.3
559.39764	0.4
565.44543	0.3
567.45459	0.2
593.43762	0.4
641.41095	0.3
659.48547	1.6
660.48682	0.3
677.49609	100.0
678.49927	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	679.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50540	0.2
59.01381	1.7
59.65585	0.2
71.01373	0.6
71.61902	0.2
74.97427	0.2
75.00871	0.4
79.95712	2.0
79.96114	0.2
85.02956	0.7
89.02432	0.3
89.04408	0.2
90.54439	0.2
95.94699	0.3
95.95176	0.8
96.96008	70.3
97.95950	0.3
98.95583	0.5
98.96452	0.2
99.00906	0.3
101.02479	0.3
109.34554	0.2
113.02475	0.4
122.06036	0.2
125.02418	0.2
137.02461	0.3
169.01384	0.2
182.87830	0.2
196.47816	0.2
243.96754	0.3
244.46716	0.2
249.06186	0.2
261.36124	0.2
267.07153	0.3
291.12698	100.0
292.13022	7.5
293.12506	0.9
335.12439	0.2
354.26108	0.2
461.98587	0.2
471.23734	0.2
472.49500	0.2
486.27579	0.2
517.18884	1.0
518.20435	0.2
628.65704	0.2
679.24445	1.1
680.26172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.7
61.98826	29.5
69.44073	2.0
69.44485	3.2
71.01379	2.4
71.66860	0.8
73.02948	1.0
89.02446	0.8
96.95996	2.0
101.02411	1.5
103.50365	0.8
113.02423	1.2
117.36298	0.7
147.04475	1.1
148.36444	0.7
156.02197	1.3
168.26436	0.9
179.10799	1.3
184.01733	1.0
185.02379	1.3
200.01099	1.1
201.01982	0.9
212.01085	0.9
213.01834	2.4
226.99861	2.6
228.00575	0.9
229.01332	1.2
240.00560	2.4
241.01324	2.0
254.99226	2.4
257.00806	1.2
267.99939	1.1
282.98801	4.7
283.99603	7.4
285.00336	10.2
286.00696	1.1
310.98300	3.4
311.99072	9.7
312.99863	100.0
314.00226	7.3
371.82739	0.8
384.71237	0.8
637.15009	0.9
681.14545	35.2
681.38855	8.5
682.14636	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	681.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99577	0.4
59.01377	12.6
61.98810	1.1
69.91895	0.8
69.92309	1.4
71.01376	2.0
72.99297	0.5
73.02956	0.8
75.00876	0.5
79.95753	1.0
83.01373	0.5
85.02936	1.0
89.02435	0.6
95.01366	0.5
96.96009	19.7
97.02939	0.4
98.19898	0.4
98.95584	0.4
99.00852	0.5
101.02416	1.0
109.02958	2.4
113.02422	1.1
120.99612	0.4
121.02955	0.7
123.00889	1.3
123.04462	0.4
125.02433	1.4
131.65048	0.4
132.48247	0.4
137.02440	5.3
139.03961	0.4
147.04497	0.5
147.29910	0.4
149.02412	1.3
150.03194	0.5
151.00351	12.0
151.03983	1.7
152.01089	1.6
152.04739	0.8
153.01872	0.7
159.04495	0.6
161.02438	0.7
164.04753	0.5
165.01927	0.7
166.02704	36.9
167.03459	2.0
173.02478	0.6
175.03992	0.6
177.01909	2.0
177.05608	0.4
179.03426	0.5
179.07143	0.8
181.05054	46.6
182.05391	2.5
190.06371	1.1
191.03555	0.7
192.04222	1.4
193.05052	0.9
194.90779	0.4
203.07016	0.4
205.05019	0.6
205.08751	1.1
207.06595	0.9
209.04584	0.4
223.06055	0.5
234.15288	0.4
289.11148	1.3
300.03012	0.5
301.03284	0.6
311.09146	0.4
324.41980	0.4
327.08621	0.4
339.29364	0.4
341.10150	1.1
342.10684	0.6
356.12711	1.1
357.13297	1.4
359.11356	1.1
371.14932	0.5
373.87769	0.5
387.10727	11.4
388.11230	1.0
402.13077	7.6
403.13681	0.8
417.15503	100.0
418.15866	10.5
536.74188	0.4
561.19556	2.1
621.21899	2.7
622.22638	0.6
681.36700	1.3
682.19843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54289	0.5
55.01870	3.7
57.03450	3.2
58.00573	1.5
59.01379	30.1
59.83092	0.4
61.98836	2.7
64.17107	0.5
65.91444	0.5
68.76489	0.5
69.03437	1.1
71.01378	37.9
71.04988	0.7
72.99315	2.8
73.02946	10.2
75.00872	1.1
79.95737	0.8
83.01390	8.3
84.02163	0.8
85.02947	19.0
86.00083	0.6
87.00871	4.2
87.04502	1.3
89.02444	9.9
95.01395	3.9
96.95987	4.3
97.02931	2.2
97.06561	0.8
98.19889	1.9
99.00883	5.2
101.02438	29.1
109.02923	0.7
111.00889	4.7
113.01705	1.1
113.02443	14.9
119.03522	3.6
125.02422	1.8
125.92614	0.6
127.11278	1.0
129.01918	1.8
131.03444	1.2
137.02422	1.2
139.11261	2.4
143.03494	1.2
145.02942	1.2
151.11264	0.9
155.10802	1.2
157.12308	2.9
159.02937	1.6
161.04622	3.1
161.05861	0.7
165.01865	0.8
165.05505	0.6
169.01418	0.6
169.12321	1.4
171.13794	0.6
179.05551	1.3
181.12326	1.5
186.12520	1.1
187.13364	1.7
199.13364	2.3
201.14899	1.4
205.05121	0.7
221.06680	1.0
221.94363	0.7
222.02290	0.6
228.13657	2.1
297.24243	1.4
300.02563	0.7
307.94043	0.7
309.24323	1.3
321.24454	0.8
339.25479	1.4
348.17905	1.7
357.26428	8.5
358.26624	0.9
373.25827	1.1
433.24103	0.7
475.25900	1.2
501.30850	1.8
519.31696	83.7
520.32037	11.6
643.26959	1.2
652.10406	0.6
681.36987	100.0
682.37433	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	683.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02243	0.5
55.45411	0.5
58.00596	0.7
59.01378	8.5
61.98824	4.0
71.01370	4.7
73.02940	1.1
74.72176	0.6
85.02953	1.9
87.00892	0.6
89.02449	1.7
93.03453	5.8
95.92706	0.5
96.96007	4.0
98.20670	1.2
99.00847	1.1
101.02434	2.9
113.02436	2.4
119.03519	0.9
119.41996	0.5
121.02962	1.2
122.65112	0.5
125.02422	0.9
137.02432	8.8
145.02959	0.8
148.01558	0.5
151.04028	0.7
153.38644	0.5
161.04576	1.1
179.10724	0.8
207.96266	0.6
242.99263	1.6
269.98032	0.9
270.98813	14.8
271.99341	1.5
281.06638	9.4
282.07074	0.6
283.09988	1.2
285.00516	0.9
289.07147	0.8
297.97708	0.9
298.98294	16.1
299.99078	100.0
300.99515	8.0
305.24890	0.5
311.09128	2.2
312.99722	1.3
314.00644	9.1
315.01425	91.2
316.01791	6.4
326.11465	3.7
327.12250	1.1
341.14081	2.6
375.40195	0.5
411.26349	0.5
445.04208	0.7
459.05725	2.0
467.70081	0.6
477.06506	0.8
623.21100	4.7
639.16962	1.8
641.22565	0.7
682.40210	1.3
683.16071	54.9
683.37671	3.3
684.16467	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	683.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43910	0.4
53.96154	0.4
56.79527	0.4
57.03459	2.8
59.01375	1.1
69.03444	0.5
69.17258	0.3
69.48759	1.2
69.49175	1.8
71.01384	1.0
81.03444	2.5
83.01377	3.1
83.05022	0.5
85.79205	0.4
89.02457	0.5
90.73300	0.4
93.03439	1.6
93.89996	0.4
95.01389	1.1
95.05039	3.6
96.96008	1.5
97.02950	6.7
99.04519	0.4
101.02464	0.5
105.03467	0.5
108.02167	1.3
109.02947	24.5
110.03256	0.7
117.03470	0.6
121.02947	4.0
122.03757	0.9
123.03613	0.9
123.04519	15.9
124.04939	0.6
125.01517	0.8
125.02443	14.5
131.04971	0.4
133.02876	0.5
135.04500	2.0
137.01454	0.7
137.02443	9.5
138.03215	0.9
139.04002	3.3
145.02937	1.4
146.03702	1.1
147.04526	0.6
149.02423	4.1
150.03175	1.4
151.00443	0.4
151.03995	9.0
157.06567	0.5
158.03772	0.4
159.04472	2.1
160.05260	1.5
161.02446	0.9
161.06041	4.7
162.03214	1.7
163.03932	1.2
163.44002	0.4
164.01158	3.2
165.01923	4.8
166.02617	1.1
167.03468	1.7
173.06038	1.4
174.03186	0.5
175.03963	2.3
175.07635	2.4
177.05659	0.4
179.03477	6.1
185.06146	1.0
187.04022	3.9
188.04753	3.4
199.07614	0.8
201.05640	0.8
202.06360	2.4
203.07123	11.4
204.07489	0.6
205.05048	7.7
212.04753	0.7
217.08670	1.0
221.08209	3.4
227.07137	1.9
227.24706	0.4
230.05972	0.6
245.08179	18.7
246.08482	1.6
247.06044	1.4
271.06122	0.7
289.07166	100.0
290.07520	7.9
326.17709	0.5
355.12842	0.7
368.26254	0.4
405.15726	0.6
418.47839	0.4
431.14377	0.8
593.19836	1.5
594.19989	0.5
647.20483	0.6
683.32202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90307	0.6
55.01862	2.5
57.03446	4.9
58.00592	0.9
59.01375	31.5
60.31653	0.7
61.98822	6.7
66.35918	0.6
67.35807	0.6
69.03432	0.9
69.46588	2.8
69.47015	2.4
71.01379	37.6
72.99305	3.2
73.02950	11.7
75.00872	1.7
78.70155	0.6
79.95739	0.7
83.01376	8.9
85.02948	20.1
87.00870	3.1
87.84388	0.6
89.02448	10.6
95.01392	3.5
96.96003	8.1
97.02948	1.5
99.00868	4.1
101.02436	28.4
102.02791	0.9
111.00890	3.9
113.02444	16.1
119.03490	3.0
123.00766	0.7
123.04513	0.8
125.02473	1.1
126.96857	0.6
127.11236	1.7
129.01903	1.8
131.03481	1.1
137.09709	2.6
142.18547	0.6
143.03477	1.6
145.02975	1.1
151.00142	0.7
152.01039	0.9
153.05466	0.8
153.12819	1.0
155.10745	4.1
157.12288	1.0
159.02991	2.9
161.04529	3.6
167.03528	0.8
179.05597	1.3
201.14932	5.7
221.06665	1.2
223.06458	0.7
230.15196	2.8
234.76830	0.8
321.51852	0.7
357.26486	1.1
359.28021	17.8
360.28378	1.8
373.25769	1.2
395.47174	0.7
414.53223	0.8
459.87433	0.7
503.32181	1.4
509.23874	0.7
521.33246	82.2
522.33612	10.3
535.31165	3.1
683.38574	100.0
684.38861	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	683.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34346	0.5
55.01877	4.4
57.03438	2.7
58.00597	1.4
59.01375	31.0
61.98827	4.0
63.33974	0.5
63.87866	0.5
69.03447	0.8
69.47907	4.1
71.01376	34.1
72.01698	1.0
72.99298	2.0
73.02940	11.6
75.00855	2.0
79.95721	1.0
83.01379	6.3
85.02942	18.3
87.00854	3.8
87.04492	0.7
89.02438	11.3
89.72095	0.5
93.03439	0.8
95.01385	3.6
96.96000	7.9
97.02939	1.5
99.00882	4.7
101.02436	28.6
102.02779	0.7
111.00872	3.6
113.02446	13.2
114.02763	0.6
119.03512	3.2
121.02951	0.8
121.10233	2.4
123.04497	1.6
125.02434	2.2
125.09647	0.9
129.01936	1.5
131.03462	1.1
133.02957	4.7
134.03619	0.6
135.04495	3.9
136.99112	0.6
139.00322	0.6
141.12828	2.1
143.03461	1.5
145.02908	0.8
150.03191	0.6
150.06836	0.5
151.03886	0.6
153.05559	1.2
157.12390	0.6
159.02969	2.5
161.02434	12.5
161.04500	3.8
171.13858	2.1
177.01842	0.7
179.03445	2.3
179.05580	1.3
187.13359	1.8
199.13402	1.0
200.13956	0.8
201.11218	0.7
201.14943	10.7
202.15337	0.5
221.06616	0.7
253.60820	0.6
296.19556	0.5
299.25916	1.1
305.00653	0.5
314.11703	0.7
323.07751	4.8
357.26263	1.2
359.27951	4.9
363.20212	1.7
375.27606	0.7
403.73068	0.6
426.79587	0.6
495.79010	0.6
503.31970	1.8
519.31848	1.7
520.32141	2.3
521.33154	58.0
522.33545	7.1
678.04742	0.7
683.24042	7.7
683.38403	100.0
684.25018	1.8
684.38684	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77778	0.8
57.03437	5.1
59.01365	3.4
61.98817	1.4
66.97971	0.8
69.03445	1.0
70.07219	1.4
70.07616	2.7
71.01366	3.9
73.02935	1.3
73.67445	0.9
78.95882	1.0
81.03423	0.9
87.00865	2.3
89.02421	2.0
94.24494	0.7
95.05006	1.4
97.06580	13.1
101.02447	4.3
113.02404	1.0
123.08157	7.3
125.09719	73.5
126.10030	2.6
136.69374	0.8
142.00748	0.8
145.05046	1.0
161.04596	1.2
169.08707	0.8
187.09743	28.1
235.08221	2.1
253.09178	2.6
255.23341	2.6
277.21692	42.4
278.22012	4.6
311.44128	0.8
352.65527	0.9
405.17587	3.9
423.18604	4.1
423.24414	1.5
467.83292	0.9
521.34479	1.0
529.53790	0.8
543.39423	0.8
618.28931	1.0
683.40033	100.0
684.40228	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.6
59.01381	6.3
60.22030	0.7
61.98813	2.4
64.77190	0.7
69.03440	0.9
71.01364	4.6
71.05010	1.1
78.95860	0.8
85.02921	1.2
89.02431	3.2
95.05004	1.1
97.02957	0.7
97.06590	13.2
98.20636	2.8
101.02429	2.7
111.08166	0.7
113.02416	2.2
119.03472	1.2
121.01099	0.7
123.08159	7.2
125.02389	0.9
125.09722	93.2
126.10046	4.1
143.10759	1.1
166.36198	0.7
169.08682	2.3
172.25423	0.7
185.89980	0.8
187.09749	67.7
188.10060	2.8
217.96031	0.8
225.38675	0.7
246.50795	0.9
253.09250	2.0
255.23238	2.7
277.21704	15.9
278.22031	1.9
289.07224	0.9
405.17825	5.1
423.18747	14.6
462.95190	0.9
497.83768	0.8
683.40063	100.0
684.40430	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2011
Annotation	Speedoside
Peak:m/z	Relative Intensity
59.01373	5.7
63.96226	1.4
69.03442	0.6
69.35553	2.9
69.35988	1.9
71.01380	9.7
72.99306	0.6
73.02940	2.5
75.00793	0.6
78.98590	7.6
79.95732	20.5
80.96513	73.7
81.03442	1.4
83.01344	0.8
85.02934	3.6
87.00864	3.2
89.02434	1.4
94.98080	17.9
96.96004	3.6
97.02930	2.2
99.00864	1.0
101.02454	4.3
106.98086	3.5
113.02441	0.9
122.03778	0.7
122.97553	3.6
125.02452	4.1
126.24732	0.5
127.04047	1.2
133.02948	0.8
134.97574	6.0
136.99107	2.1
146.97560	0.7
148.99132	6.7
149.02423	1.7
150.03209	4.6
152.98618	7.6
154.21793	0.6
155.10782	1.6
161.04520	1.1
161.09726	1.0
164.98619	14.7
165.05540	5.1
167.00139	0.7
179.10780	2.7
181.08612	1.0
195.06543	1.9
206.99664	3.4
222.86966	0.5
225.00725	29.2
226.00995	1.0
241.00154	0.8
245.73102	0.5
299.04355	5.9
305.10730	1.1
314.67093	0.6
317.05386	1.4
327.14233	1.5
329.13947	1.1
475.19678	5.6
476.19693	0.7
479.15884	1.4
523.14862	39.3
523.21686	2.8
524.15198	4.8
574.26147	2.0
574.76996	0.8
685.20081	100.0
686.20319	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	685.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77639	0.6
52.11562	0.7
52.84827	0.6
55.01869	1.2
57.03447	1.5
58.00590	4.8
59.01377	95.7
59.49447	0.6
61.98805	1.0
64.59361	0.7
65.94034	0.6
71.01378	64.4
71.61579	0.9
72.99300	5.5
73.02941	3.7
75.00857	1.0
80.96528	1.3
83.01383	2.3
85.02949	11.5
87.00877	5.5
89.02438	100.0
89.37536	0.6
90.02763	1.9
95.01380	4.8
96.95995	2.4
99.00842	1.0
101.02438	37.3
108.02173	0.9
113.02444	30.8
117.03459	0.8
119.03499	39.6
120.03893	0.8
121.02934	1.9
122.03718	1.1
123.04435	1.1
125.02422	1.2
131.03529	5.8
133.02930	1.8
134.03766	0.8
135.04520	1.4
136.01614	1.3
137.02426	3.2
143.03499	11.5
145.02925	4.7
146.03700	2.1
147.04483	2.6
149.02379	2.4
149.04559	4.4
150.03197	0.8
151.03932	1.8
161.01225	1.0
161.02458	6.2
161.04543	11.2
162.03223	50.0
163.03633	2.8
165.01927	13.1
165.04109	0.8
165.05537	1.9
166.02205	0.8
166.06361	4.6
176.26152	0.7
177.05562	37.2
178.05858	2.0
179.03442	8.9
179.05544	34.6
179.07191	1.6
180.04291	12.9
180.05849	1.3
181.04874	1.4
181.08618	3.6
191.05490	0.7
194.05765	3.0
195.06619	16.0
196.07236	2.7
204.04294	0.8
210.05223	2.1
211.09732	1.8
219.06519	2.0
221.49461	0.8
225.07680	12.1
227.09090	0.8
257.66943	0.8
277.00043	0.7
312.12088	0.8
327.14413	9.1
329.13513	0.7
357.11612	3.1
359.11353	4.0
374.13522	3.7
389.15982	16.1
390.16205	2.4
437.18011	4.9
438.17987	1.1
475.19693	5.5
487.19592	1.1
523.21320	1.1
592.30731	0.7
685.25964	4.2
686.27014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
57.03443	1.3
58.00597	1.0
59.01378	18.4
61.98820	1.5
69.03457	1.3
70.60799	1.8
71.01004	1.0
71.01379	19.0
72.99301	1.7
73.02946	9.3
75.00880	0.6
79.95723	4.6
80.96560	0.7
82.27453	0.7
83.01357	3.8
85.02950	12.4
87.00868	2.7
89.02438	4.6
93.03455	1.1
95.01369	2.1
95.05023	0.9
96.96001	6.7
99.00875	2.0
101.02444	11.4
106.32156	0.6
108.02182	0.9
109.02931	0.9
113.02444	4.7
119.03458	0.9
121.02930	3.5
122.03750	4.0
125.02408	0.7
132.02151	2.0
133.02951	15.6
134.03690	2.7
135.04538	1.6
137.02483	0.8
147.04478	1.9
149.02431	28.0
149.06056	4.7
150.03221	25.7
151.03812	0.6
159.02942	1.0
161.04546	1.2
164.04768	7.5
165.05553	15.6
166.06322	4.1
167.07079	2.0
177.05542	1.0
180.04294	1.0
181.08693	7.0
195.06561	3.5
196.47816	2.4
203.98981	1.5
209.61011	0.7
243.96829	6.0
271.02567	0.8
291.12747	4.3
312.12082	1.0
312.99973	1.9
313.12823	1.7
314.11575	3.6
315.12268	1.8
327.14496	15.7
328.14764	1.5
329.13907	11.7
330.14255	0.9
457.18207	0.7
460.17288	1.7
475.19650	35.3
476.20026	5.3
489.19916	14.3
490.20712	1.4
523.21613	2.3
533.20087	1.8
543.21271	1.0
623.15411	0.8
637.24939	100.0
638.25281	19.9
667.26013	3.3
685.27472	15.0
686.27472	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	685.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79501	2.0
59.01373	16.3
61.98825	3.8
69.03442	3.4
71.01376	100.0
71.04986	3.0
71.14677	4.4
73.02946	3.9
83.05019	15.7
85.02957	3.7
87.00835	2.7
89.02435	5.0
90.08286	2.0
95.05014	4.2
96.95975	5.1
101.02457	6.1
109.06569	8.7
113.02444	5.4
128.14464	2.3
163.11278	7.3
171.10265	17.5
178.90468	2.2
179.14397	4.9
185.11890	3.2
191.14308	2.9
195.13875	9.9
201.11327	13.7
205.12370	10.2
207.10258	26.0
209.11790	22.3
221.11806	6.7
221.15424	20.3
223.13359	66.1
223.16722	3.0
225.11304	20.9
235.08217	6.2
235.13414	8.3
239.12788	16.5
247.13304	3.4
253.09254	10.7
279.23166	3.5
292.06055	3.2
326.49677	2.8
395.22067	2.9
413.23532	3.9
459.22229	4.0
461.20163	6.3
487.30618	73.8
488.31085	12.0
568.22742	2.6
667.32770	4.6
685.33807	34.3
686.34143	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	687.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10371	0.6
53.49852	0.6
59.01374	4.1
65.37581	0.8
69.03448	2.8
70.91350	1.6
71.01365	3.8
71.05019	1.5
73.02936	1.1
80.02654	1.0
81.03461	1.1
83.05020	3.5
84.02184	0.9
85.02934	1.3
87.00879	0.8
89.02429	2.9
97.06573	1.0
101.02461	3.1
108.69966	0.7
109.06577	0.7
113.02399	1.9
123.08164	1.1
125.09686	2.1
151.11273	2.2
153.12875	1.3
161.09679	3.4
163.11220	3.3
165.12854	1.7
179.10770	6.6
197.11819	63.8
198.12206	3.6
209.11800	41.2
210.12096	2.1
223.09695	1.5
227.12872	2.6
241.10837	4.0
253.09245	2.8
262.47498	0.6
366.73813	0.7
477.19537	2.5
669.31293	1.2
687.32251	100.0
688.32550	17.8
688.43878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
58.00585	0.8
59.01377	9.6
65.97269	0.6
68.99812	1.1
69.03439	1.3
71.01376	9.6
72.99295	0.8
73.02965	3.4
75.00860	0.9
75.94674	0.7
79.34860	0.6
80.02689	0.9
81.03441	1.6
83.01383	2.1
83.05030	6.5
84.02163	1.4
85.02937	3.8
87.00880	2.3
88.84915	0.6
89.02428	4.1
89.71211	0.5
89.90331	0.6
93.03468	0.7
95.01370	1.1
95.05009	1.4
96.96009	5.2
97.02934	1.7
97.06577	1.1
99.00842	1.2
101.02451	6.9
109.02968	1.2
109.06599	1.1
111.04508	1.8
113.02441	3.9
119.03478	1.7
120.99651	2.0
123.04491	1.0
123.08156	1.1
125.02412	1.7
125.06077	0.8
125.09706	1.6
135.08148	1.2
137.02344	1.6
139.03943	0.6
139.11305	0.7
143.03436	0.7
149.02460	1.2
149.09663	1.1
151.04089	0.8
151.11235	1.8
152.14548	0.7
153.12819	1.7
161.04527	2.7
161.09676	1.9
163.11279	5.1
165.01865	0.7
165.12843	2.8
167.03467	0.7
169.01466	0.8
169.12331	28.9
170.12665	1.4
171.10257	8.7
177.33713	0.7
179.10739	2.7
181.12291	1.2
191.10796	1.7
197.11823	53.1
198.12128	2.8
201.08432	0.6
203.44856	0.6
205.08620	2.0
207.10175	1.6
209.11813	76.2
210.12161	4.6
213.11357	1.2
223.09729	7.1
225.11275	2.8
227.12880	7.2
235.08122	1.6
241.10718	1.5
253.09238	6.0
289.07187	1.6
299.99030	1.2
301.07059	1.8
304.95023	0.7
315.01462	1.0
329.13815	0.8
373.25806	2.3
385.13651	0.7
397.13107	0.8
399.28754	0.7
459.18484	1.3
477.19177	0.9
651.29852	1.8
669.31445	2.3
687.32227	100.0
688.32550	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	687.3953
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03444	0.7
57.24484	0.6
59.01376	6.1
59.16889	0.6
61.98832	2.6
70.87256	1.4
71.01382	3.6
71.90524	0.6
73.02957	1.7
79.57485	0.5
85.02950	2.8
87.00909	1.0
89.02467	1.7
95.01425	0.8
95.04995	0.6
96.96005	5.2
97.02900	0.9
101.02459	2.0
102.36721	0.7
103.31793	0.6
107.01371	1.1
107.05111	0.6
108.02165	1.2
109.02963	0.6
111.04530	0.7
113.02463	1.4
119.03500	0.7
121.02982	1.1
123.00909	1.6
123.04543	1.9
123.08140	0.9
125.02431	5.4
133.39336	0.5
133.70718	0.7
135.08186	2.2
136.05272	1.5
137.02454	1.8
139.00360	1.3
146.87259	0.6
149.02509	0.9
149.06078	3.3
150.03226	1.3
150.06853	37.3
151.00404	2.7
151.07343	1.9
152.01181	1.2
153.01907	0.6
154.00235	0.8
155.10805	1.0
161.04590	0.7
161.09808	1.2
163.07629	7.0
164.08412	7.4
165.01968	1.1
165.05583	1.8
167.03468	3.1
169.01401	9.0
171.10301	1.0
178.10040	1.7
179.10767	16.1
180.11247	0.9
195.06705	1.2
209.11858	1.2
211.02397	0.9
223.09721	0.8
241.05119	1.1
271.02429	0.9
300.02826	1.4
301.03415	2.8
313.05695	0.8
320.39139	0.6
343.25006	1.9
345.22760	4.1
357.26617	0.8
373.26218	2.0
375.27203	2.9
446.30804	1.0
461.32816	0.8
464.31390	4.3
479.33826	7.8
480.34204	1.6
506.32153	1.6
507.33472	2.4
524.33295	3.2
525.34235	26.4
526.34662	4.6
564.28809	0.7
687.39954	100.0
688.40430	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	689.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.5
59.01377	10.2
61.98828	6.1
63.88066	1.3
65.20818	1.2
66.35771	1.2
71.01380	58.9
71.81219	1.6
73.02929	3.7
78.95915	3.7
80.02700	1.7
81.03458	2.5
83.05041	8.0
85.02934	2.5
87.00857	2.5
88.10551	1.2
89.02432	3.3
95.05055	1.6
96.96013	1.4
97.02921	3.6
99.00859	1.8
101.02443	4.8
109.06588	7.8
113.02480	3.3
125.09776	3.1
127.11253	1.4
135.08189	1.8
136.77686	1.4
152.99591	1.9
163.11301	10.5
165.12810	2.9
171.10274	32.8
172.10596	1.4
181.12354	3.9
185.11826	2.8
189.09196	1.8
201.11325	12.8
207.10263	27.0
209.11815	100.0
210.12195	6.6
211.13445	3.2
223.13338	3.6
225.11285	27.2
226.11687	2.7
227.12926	13.2
235.08151	2.7
243.12489	1.5
247.13223	1.3
253.09152	10.3
291.67505	1.5
461.19971	6.6
653.31934	2.7
671.32953	3.6
689.33264	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36783	0.3
53.00311	0.6
55.01873	0.7
57.03445	1.0
58.00586	1.0
59.01373	7.0
61.98820	0.6
68.99809	0.5
69.03449	0.5
71.01377	60.4
71.05011	0.4
72.01732	0.5
72.99309	0.8
73.02947	3.4
75.48589	0.3
76.96279	0.3
78.21497	0.3
80.02666	1.4
81.03463	2.6
83.01371	0.7
83.05019	6.1
84.02152	1.5
85.02949	2.3
87.00850	1.9
89.02435	3.0
93.03449	0.5
95.01365	0.9
95.05039	2.2
96.96011	0.7
97.02932	2.8
97.06573	1.1
99.00872	1.4
99.04518	0.4
101.02438	5.1
107.04964	0.7
109.06583	6.4
110.03734	0.6
111.00898	0.6
111.04524	0.7
111.08146	0.6
113.02444	2.6
119.03444	0.5
121.06561	0.4
123.08158	0.8
125.02454	0.6
125.06085	0.9
125.09697	2.3
127.11312	1.7
131.03471	0.4
133.05075	0.5
134.58507	0.4
135.08121	1.6
136.05286	0.6
137.02383	0.4
139.07657	1.0
142.02728	0.8
143.03517	0.7
145.05051	0.8
149.09741	0.4
153.09142	0.4
155.10732	0.9
157.12315	0.4
161.04552	1.4
161.09695	0.8
163.11276	9.6
165.09181	0.5
165.12851	3.1
167.10725	0.7
171.10257	34.8
172.10645	1.6
179.05460	0.5
179.10764	0.7
181.12306	3.6
182.09924	0.4
183.10289	0.4
185.11861	2.5
189.09163	1.3
191.10765	1.3
197.11862	1.3
199.09816	0.5
199.13358	0.7
201.11302	15.3
202.11671	1.1
207.10242	19.9
208.10571	1.2
209.11807	100.0
210.12146	6.6
211.13318	0.6
215.12862	1.5
221.11876	0.5
223.13364	0.5
225.11299	27.9
226.11624	1.5
227.12868	12.7
228.13235	0.8
233.11745	0.7
235.08188	3.9
235.13338	0.7
243.12262	2.2
251.12871	1.3
253.09274	10.6
263.12872	0.8
277.09424	0.5
289.11642	0.4
295.10089	0.6
297.78757	0.3
299.15033	0.5
321.67215	0.3
347.50681	0.3
393.23218	0.4
399.21695	1.4
407.19125	0.5
407.87695	0.4
417.22812	2.1
435.24051	0.4
443.19119	0.8
445.21167	0.6
461.20251	4.7
462.20883	0.6
479.21335	1.0
487.21542	0.6
635.30530	1.4
653.31744	1.9
654.32715	0.7
671.32813	3.3
672.33185	1.0
689.33826	4.6
690.34338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
59.01099	0.7
59.01379	7.3
60.83471	0.5
61.98827	1.8
66.83124	0.4
69.03452	1.4
71.01377	58.8
71.05020	0.6
71.11885	0.8
72.01702	0.8
72.99313	0.9
73.02941	2.8
78.95895	2.6
80.02678	1.7
81.03445	1.9
83.01399	1.1
83.05019	6.7
84.02152	1.7
85.02952	2.5
87.00868	1.8
89.02442	2.7
91.04031	0.6
93.03461	0.5
95.01389	0.6
95.05020	1.7
96.96007	0.6
97.02932	2.5
99.00863	1.5
101.02450	4.0
107.05029	0.5
109.06586	7.1
109.07255	0.6
110.03703	0.6
111.04533	0.6
113.02456	2.3
119.03515	1.1
121.06589	1.2
125.02454	0.7
125.06063	0.6
125.09710	2.5
127.11259	1.5
135.08151	2.4
139.07631	0.7
143.03543	0.7
152.99586	1.5
155.10762	1.0
161.04541	2.2
161.09668	1.6
163.11282	9.6
165.12846	2.9
171.10265	27.7
172.10629	1.5
179.10791	0.6
181.12331	3.7
183.10225	0.5
185.11835	2.0
187.09740	0.6
189.09186	0.9
191.10895	1.1
197.11734	0.9
199.09752	1.2
199.13359	1.2
201.11316	14.5
202.11736	0.7
207.10252	21.8
208.10577	1.7
209.11815	100.0
210.12157	7.1
211.13402	1.0
215.12878	1.7
216.54283	0.5
221.11980	0.6
223.13422	0.7
225.11292	25.3
226.11737	1.6
227.12857	10.5
228.13084	0.7
235.08182	3.5
235.13474	0.7
243.12257	1.4
251.12823	1.3
253.09244	8.6
254.09647	0.7
295.10428	0.8
399.21799	1.4
417.22943	1.7
443.19089	1.3
461.20160	5.0
479.21069	1.2
552.04315	0.6
552.13489	0.5
635.30103	1.1
653.31702	2.6
657.33905	0.7
671.32733	3.1
672.33453	1.1
689.33667	7.6
690.34210	1.2
701.92676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
58.00574	0.8
59.01375	11.1
61.98811	3.2
67.09000	0.8
69.03463	1.2
69.92676	0.7
71.01376	9.4
71.05009	4.0
71.58704	1.3
73.02941	2.1
78.45585	0.9
80.02682	1.5
81.03441	2.9
82.84661	0.7
83.01403	2.6
83.05026	4.7
84.02180	1.0
85.02951	2.5
87.00871	1.5
88.98797	1.7
89.02439	5.0
93.03466	1.3
95.05023	2.3
96.95982	2.7
97.02960	4.0
97.06581	2.3
99.00874	19.2
101.02448	6.3
109.02983	0.9
109.06562	3.0
110.03753	1.0
113.02449	3.9
119.03487	0.8
123.08142	1.3
125.02436	5.3
125.09688	7.2
127.11255	1.2
135.08083	1.7
136.05273	1.0
137.02425	6.2
145.05049	0.9
151.07605	1.0
155.14407	1.2
159.04446	1.0
161.04581	2.0
161.09695	1.1
163.11282	16.3
164.01129	1.6
165.01936	2.4
165.12805	2.2
167.03488	1.3
171.10263	21.4
172.10571	1.2
179.03458	1.1
179.05550	0.9
179.10765	1.5
181.10828	1.2
181.12347	21.5
189.09172	1.1
191.10754	1.2
197.11804	1.1
199.09760	1.5
199.13409	10.9
201.11357	5.0
207.10248	31.7
208.10513	1.3
209.11816	74.9
210.12134	3.9
225.11307	45.5
225.13547	1.9
226.06367	0.9
226.11584	1.7
227.12828	7.7
227.30719	0.9
228.13063	1.0
235.08144	2.3
243.12349	22.7
244.12560	1.6
253.09219	5.4
265.14429	0.8
271.13385	1.3
327.07974	0.8
362.30667	0.8
437.19598	1.0
461.20410	4.6
479.21362	6.8
491.25641	0.8
571.53522	0.9
585.21826	0.9
635.30786	1.2
653.31665	2.5
654.32629	1.3
671.33087	4.1
672.33490	1.1
680.75513	1.2
689.33826	100.0
690.22900	1.6
690.34100	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	689.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85979	3.2
55.87191	3.3
59.01374	13.0
61.98827	100.0
70.42075	3.7
71.01366	10.0
71.59814	5.7
73.02908	3.7
78.95885	11.1
85.02941	3.8
89.02460	5.5
101.02444	4.2
122.89886	3.4
125.02414	5.2
152.99542	5.0
169.74330	3.2
171.10239	3.3
187.84727	3.6
201.12680	3.9
209.11789	15.3
255.23251	19.3
319.40363	4.4
397.13535	41.4
415.14471	11.3
653.36957	7.2
689.34961	37.8
690.35309	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	691.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77344	0.2
56.33188	0.2
69.52734	1.4
71.01368	0.2
79.95731	4.6
80.96516	1.6
94.98090	0.3
95.95197	1.1
96.96005	76.6
97.95956	0.2
111.18782	0.2
122.97556	0.4
125.02446	0.2
164.98604	0.3
165.01833	0.2
202.02785	0.2
225.00665	0.3
257.01001	0.2
305.10605	100.0
306.10944	7.7
307.12222	3.4
308.12521	0.3
594.77502	0.2
691.18860	2.2
691.29669	0.3
692.19250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79388	0.2
52.66228	0.2
59.01364	0.2
64.24997	0.2
70.14531	0.2
71.01366	0.2
75.96785	0.2
79.95721	1.8
88.37449	0.2
95.60323	0.2
95.95269	0.7
96.96007	83.2
97.95921	0.2
98.20731	0.4
115.21790	0.2
139.07756	0.2
141.11919	0.2
143.14427	0.2
146.29338	0.2
169.01498	0.2
180.45276	0.2
216.72427	0.2
305.10611	100.0
306.10934	7.3
691.21332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
58.20510	2.2
59.01373	26.1
61.98827	14.2
71.01382	29.2
73.02941	2.4
75.00883	2.2
78.95909	4.5
82.41959	2.8
83.05032	3.9
85.02948	6.4
89.02435	4.7
96.96013	6.6
98.20757	4.9
98.84293	2.3
99.00876	2.6
101.02467	7.1
109.06558	2.7
113.02447	9.4
151.95561	2.6
161.26506	2.2
163.11229	4.0
171.10262	16.2
183.14006	2.9
191.10750	4.5
197.11728	3.7
199.13193	2.6
206.69319	2.4
207.10324	4.8
209.11809	100.0
210.12181	9.0
211.13434	25.1
225.11272	4.0
227.12881	14.3
235.08189	3.7
253.09212	7.3
275.20154	3.2
293.21210	4.5
313.00064	2.6
397.13226	5.7
415.14505	3.2
445.20779	8.7
637.32062	5.6
655.33466	5.4
658.86725	2.7
691.30005	22.4
692.31946	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	691.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.0
59.91003	4.4
61.98826	23.7
64.13405	4.6
69.98451	23.8
71.01376	11.3
78.95901	14.2
96.95998	13.2
97.02914	7.1
101.02418	10.9
109.06571	20.3
152.99553	8.4
163.11266	13.8
181.12369	4.8
198.42278	4.7
207.10252	64.9
209.11804	19.8
210.12067	5.9
211.13361	100.0
225.11331	32.4
235.08136	9.3
253.09335	10.8
373.23697	5.5
383.22437	9.2
401.23141	20.2
443.18875	11.4
447.22214	9.9
461.20370	16.2
585.00354	5.2
609.32916	6.4
619.31384	14.9
637.32178	99.4
638.32495	21.8
655.33197	85.8
655.43335	7.6
656.33844	8.9
691.30505	38.1
692.31689	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	691.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31358	3.5
56.83963	2.7
57.38190	3.1
59.01377	10.4
61.98828	9.8
70.56757	2.7
70.67491	9.0
71.01375	3.2
78.95888	4.8
98.20618	3.5
109.06592	6.4
111.39857	3.1
113.02406	5.0
148.75763	2.9
160.52289	3.3
170.53519	3.3
184.97510	2.8
207.10201	16.8
209.11816	100.0
210.12135	9.2
211.13399	37.0
225.11284	9.9
227.12851	13.6
235.08026	3.4
253.09241	8.2
387.75742	3.2
392.30029	3.4
401.23187	10.6
419.24634	4.1
445.20602	7.4
461.20245	4.7
487.33405	4.9
543.43152	3.3
602.18542	3.2
619.31049	4.1
637.32269	33.9
638.32819	7.0
655.33124	20.9
656.33813	4.6
691.31146	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	691.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95300	3.7
55.21406	3.2
57.03445	4.3
59.01376	60.1
59.84235	3.1
61.98824	19.6
71.01382	63.8
71.59474	5.5
73.02940	11.0
75.31511	3.6
83.01376	4.2
84.92236	3.1
85.02955	4.7
87.00845	3.1
89.02449	9.8
89.81276	3.2
96.96001	15.5
97.06601	4.7
99.00844	5.4
99.69735	3.0
101.02447	12.3
101.27439	3.3
108.47906	3.3
109.06600	9.1
113.02413	6.6
125.02414	5.2
161.04579	5.5
163.11276	8.0
171.10255	37.1
183.13876	8.1
185.11746	9.3
197.11844	8.6
199.09799	8.2
201.11298	9.7
207.10204	39.3
209.11771	16.3
210.11972	3.7
211.13379	100.0
225.11314	22.3
235.08192	11.1
253.09250	12.8
344.89017	3.4
383.22260	9.7
401.23224	23.5
419.24213	5.2
443.46454	3.6
447.22299	5.6
461.20331	5.1
609.32758	7.5
619.31519	11.9
631.38531	4.3
637.22491	6.8
637.32294	93.5
638.32892	23.5
647.34650	4.9
655.33270	41.1
656.33978	8.2
673.34851	5.5
691.30481	13.5
691.42004	28.4
692.41968	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03817	3.0
59.01374	42.0
61.98830	32.2
70.53511	2.9
71.01376	62.7
71.60774	4.8
73.02953	6.6
78.95901	7.5
83.05006	3.8
85.02932	12.4
87.00864	3.7
88.11121	4.0
89.02438	11.9
96.95988	17.7
99.00867	4.1
100.49299	3.2
101.02448	15.8
102.92176	3.4
109.06570	13.0
111.36972	3.5
113.02419	13.3
119.03423	4.5
125.02413	5.5
151.11293	4.3
161.04512	7.3
163.11310	8.4
169.12302	16.8
171.10251	24.9
183.13863	5.2
185.11783	11.1
189.43629	3.6
197.11827	6.3
201.11246	6.5
207.10255	35.2
208.10497	4.0
209.11810	50.1
210.12144	10.1
211.13403	60.1
212.13695	3.9
225.11317	25.5
227.12796	7.3
229.14346	5.7
235.08163	7.0
253.09239	13.1
267.07034	3.5
329.24423	3.2
356.58771	3.7
383.22278	5.0
401.23242	18.3
419.24274	7.1
447.22040	5.2
461.20078	11.9
493.24457	5.6
609.32648	11.0
619.31055	24.5
620.32227	4.3
637.32300	100.0
638.32178	17.6
655.33240	39.1
656.33759	5.4
659.32629	21.6
660.33423	4.5
691.31097	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	12.1
61.98806	2.5
63.20310	1.2
64.29400	1.1
71.01375	11.9
73.02945	2.2
80.02637	1.4
83.05019	4.7
85.02940	2.4
87.00884	1.5
89.02425	4.8
95.05026	1.2
96.95995	2.4
97.02914	1.5
97.06583	3.3
101.02435	5.6
109.06567	1.3
113.02433	4.2
120.12123	1.1
151.11279	13.5
161.04486	1.6
163.11273	3.3
165.12782	1.6
169.12332	79.7
170.12671	4.4
171.10275	4.7
191.10712	1.0
195.10243	2.3
197.11681	1.2
207.10243	3.3
209.11821	41.6
210.12169	2.9
211.13376	9.8
213.11292	9.9
225.11354	2.7
227.12875	3.6
235.08292	1.8
253.09178	3.6
401.23267	2.3
449.20221	5.6
463.00995	1.6
530.77710	1.4
619.31494	2.3
637.32184	12.5
638.32935	2.0
641.31915	1.9
655.33398	4.3
659.32813	100.0
660.33026	18.0
691.35211	12.0
692.34961	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	691.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46660	0.3
56.64162	0.3
57.03435	0.6
59.01111	0.3
59.01382	3.5
61.19590	0.2
62.77767	0.2
69.35081	0.3
69.35374	0.5
69.35654	0.4
69.35947	0.4
71.01368	2.0
72.99354	0.3
73.02921	0.6
73.16882	0.3
75.26937	0.3
80.02661	0.8
81.03440	1.0
83.01375	0.6
83.05028	3.9
83.77886	0.3
84.02171	0.5
85.02961	0.7
87.00861	0.4
89.02425	2.0
94.06224	0.3
95.01354	0.3
95.05030	0.4
96.96004	1.4
97.06579	0.3
97.34220	0.3
98.73028	0.3
101.02430	2.3
103.07333	0.3
106.63734	0.3
109.06606	0.4
113.02423	1.1
119.03465	0.4
125.06080	0.6
125.09737	0.7
127.11255	1.1
135.08131	0.5
147.11717	0.3
153.46732	0.3
155.10756	0.8
161.04538	0.5
163.11278	3.0
165.09209	0.5
165.12820	2.0
171.10240	1.6
179.05699	0.4
181.12405	0.3
191.10770	0.9
201.11302	23.2
202.11624	1.0
209.11803	100.0
210.12141	6.8
227.12869	15.4
228.13165	0.8
235.08238	2.7
253.09245	8.1
254.09578	0.5
375.21768	0.8
393.22995	0.4
401.23361	0.3
411.23227	0.3
437.20096	1.1
445.20691	2.6
446.21445	0.4
556.76709	0.3
611.29944	0.3
624.31042	0.4
629.31567	0.6
637.31335	0.4
691.33582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81211	0.5
62.83889	0.5
69.42007	2.3
69.42436	2.2
78.95898	37.3
80.02680	1.9
81.03444	2.4
83.05022	8.2
84.02160	1.3
95.05017	1.3
96.96950	3.1
100.32147	0.5
102.69630	0.6
109.06575	0.6
125.06059	1.4
134.98579	0.6
135.08107	1.0
147.11816	0.6
150.97929	1.2
152.99582	58.3
153.99968	1.0
163.11298	6.3
165.12840	3.8
165.45616	0.5
171.00644	5.9
175.85370	0.6
181.12292	1.5
191.10828	1.9
209.11812	100.0
210.12119	7.1
227.03210	4.3
227.12872	9.2
245.04260	2.0
253.21701	17.4
254.22061	2.0
255.23508	0.6
277.21811	1.3
363.12103	6.7
437.15857	7.1
455.16824	77.6
456.17188	7.9
691.38165	85.6
692.38574	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	693.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64029	0.4
69.64438	0.7
71.01425	0.3
79.95732	2.2
83.01353	0.2
84.56692	0.2
90.32394	0.2
95.95258	0.6
96.96004	82.3
97.95934	0.5
98.19855	0.3
98.95573	1.9
98.96442	0.5
113.01014	0.2
131.70683	0.2
142.65688	0.2
155.06992	0.2
165.05759	0.2
179.44946	0.2
216.34563	0.2
218.26727	0.2
265.45288	0.2
275.09595	0.3
289.07010	0.2
305.10629	14.8
306.10947	3.3
307.12207	100.0
308.12512	8.1
670.99719	0.2
693.18164	0.3
694.18237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69379	0.2
54.25662	0.2
57.03437	0.2
59.01368	0.7
59.42015	0.2
69.00646	0.2
71.01396	0.4
71.56887	0.3
78.05859	0.2
79.95725	2.4
80.99973	0.2
85.02914	0.2
87.43795	0.2
95.95248	0.8
96.96004	89.7
97.95920	0.5
98.95593	3.3
98.96333	0.4
105.15135	0.2
125.02395	0.2
127.99203	0.2
150.79613	0.2
151.03960	0.2
163.11269	0.3
169.01445	0.2
175.82231	0.2
234.20355	0.2
244.46541	0.2
244.83548	0.2
246.77481	0.2
249.66743	0.2
265.00830	0.2
278.10748	0.2
286.23138	0.2
292.38974	0.2
305.10605	100.0
306.10922	9.8
306.14490	0.4
307.10071	3.8
308.10684	0.5
385.40463	0.2
547.16437	0.2
677.91595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.7
59.15515	2.0
61.98820	2.8
71.01385	4.1
78.95901	3.2
89.02460	2.6
98.20740	4.1
99.43552	1.7
167.33089	2.3
183.13918	2.7
197.68835	1.9
204.86809	2.2
209.11797	93.8
210.12170	6.0
211.13379	100.0
212.13661	7.0
227.12883	22.7
235.08264	6.1
253.09203	9.5
287.04694	2.5
303.05084	2.2
373.18243	2.5
445.20627	8.4
447.22281	11.5
639.33484	7.6
640.33997	2.7
693.32330	27.2
694.33362	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	693.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
69.28084	2.1
71.01370	4.2
74.08182	2.3
76.12630	3.0
101.02501	3.2
171.10262	2.6
181.61041	2.7
183.13841	2.8
185.76253	2.6
209.11804	100.0
210.12015	6.0
211.13358	88.5
212.13712	7.6
227.12837	23.7
229.16248	2.9
235.08282	4.7
253.09251	9.7
295.22668	5.9
369.27014	3.0
426.25491	2.5
442.40286	2.8
445.20981	13.9
447.22104	6.9
639.34100	7.0
693.32526	48.4
694.33008	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26102	0.4
55.61743	0.5
56.00644	0.4
57.63281	0.4
61.98830	0.7
69.19955	1.5
69.20374	3.2
71.01382	0.5
73.31969	0.5
78.95901	27.4
80.02672	1.8
81.03446	2.3
83.04553	0.9
83.05023	8.5
84.02171	1.4
88.66903	0.4
93.32772	0.4
95.05036	0.9
96.96959	2.3
108.89767	0.5
109.06596	1.1
125.06017	1.1
135.08109	1.2
152.99582	24.7
163.11276	6.0
165.12843	4.8
171.00655	5.0
181.12335	1.2
191.10756	1.5
202.97110	0.6
209.11816	84.6
210.12131	4.6
227.03242	1.0
227.12897	13.2
228.13206	0.5
255.23274	47.2
256.23544	3.2
363.11969	1.5
391.22327	0.6
434.13895	0.5
437.15781	1.4
465.26425	0.6
483.27014	1.8
693.39752	100.0
694.40112	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03446	4.8
59.01373	4.5
61.98829	41.0
66.32219	0.6
67.01891	1.1
68.99805	2.2
71.01381	21.9
72.99297	2.2
73.02941	1.5
75.00860	0.8
77.11919	0.6
83.01381	6.3
85.02943	5.8
87.00874	3.5
99.00873	32.4
100.01253	1.0
101.02441	1.3
111.00879	16.5
112.98806	84.1
113.99146	0.9
115.00369	5.2
124.98814	1.9
127.00363	1.8
129.01933	6.6
142.99852	32.9
144.00198	0.7
145.01422	9.0
173.00899	100.0
174.01389	4.8
191.02026	1.5
279.98743	0.8
441.33694	2.4
443.30338	0.8
451.42737	0.7
457.36734	15.8
458.37213	3.0
466.34036	1.0
512.34784	2.4
631.38519	17.5
631.48926	1.0
632.39471	3.4
683.90399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03440	6.1
59.01368	6.8
61.98826	54.9
62.64408	0.8
66.65688	0.9
68.99816	3.4
71.01377	26.8
72.99300	1.9
73.02946	3.1
75.00874	2.0
78.95913	5.5
83.01394	9.6
83.05009	1.8
85.02954	7.1
87.00862	9.8
91.56612	0.9
99.00870	26.1
100.01201	1.1
101.02436	3.1
103.00361	1.0
111.00871	16.0
112.98801	75.8
113.99121	2.3
115.00372	7.7
124.98776	4.5
127.00395	1.0
129.01926	11.8
130.99861	1.0
140.01147	1.6
142.99846	59.2
144.00177	1.1
145.01402	9.8
147.02979	2.5
163.11255	1.8
164.71283	1.0
173.00893	100.0
174.01643	9.0
175.02393	1.7
185.83636	0.8
191.01984	5.2
196.03757	1.5
199.13417	2.5
209.11794	29.1
210.12137	1.3
227.12866	6.5
236.00465	2.3
255.23260	16.2
256.23724	1.7
277.21692	2.9
284.00638	0.9
308.45300	1.1
344.17484	0.8
351.37665	0.8
399.58554	0.9
441.33499	3.5
455.63223	0.9
457.36761	15.5
458.37277	2.1
514.36243	1.0
534.43726	0.9
631.38440	50.4
632.38690	9.7
635.80212	0.9
662.40045	5.4
694.42993	19.0
695.43042	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	695.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12094	0.5
58.54094	0.4
59.01376	100.0
60.01715	1.0
60.71265	0.5
61.98820	0.7
65.51747	0.5
71.44321	0.4
74.48611	0.5
78.95902	8.0
81.69695	0.5
149.00058	0.8
205.15854	1.0
225.58122	0.5
415.47998	0.6
491.94769	0.5
684.70190	0.6
695.31049	37.4
696.31476	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	695.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60376	1.5
75.92516	0.2
79.95707	1.8
86.93317	0.2
90.14188	0.2
94.40305	0.2
95.95284	0.7
96.96004	71.3
97.95909	0.3
98.95613	0.4
104.07570	0.2
111.59821	0.2
126.27744	0.3
132.92807	0.3
228.73773	0.3
264.52316	0.2
289.11066	0.4
307.12170	100.0
308.12494	7.4
309.12140	0.3
394.91296	0.3
729.31940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98556	0.5
59.01376	100.0
60.01705	1.1
61.63382	0.5
61.98836	1.8
67.61357	0.4
69.27640	1.0
69.28037	3.9
71.01384	0.9
71.94795	0.4
80.96540	0.5
93.36896	0.5
96.95992	0.9
121.02943	3.4
145.80844	0.5
171.10237	1.2
191.03531	0.6
191.11043	0.5
209.04599	1.7
209.11948	0.8
340.41281	0.6
475.34796	0.8
593.13312	1.2
697.32916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36850	1.1
53.54919	1.3
55.11065	1.0
57.03433	1.6
57.37232	1.1
59.01373	13.4
61.65369	1.1
61.98806	4.1
71.01379	45.9
72.99287	2.0
73.02913	3.1
73.82897	1.1
79.95726	12.9
80.96511	48.1
83.01374	1.6
85.02938	14.3
87.00881	9.0
95.01364	2.4
96.96002	40.1
101.02455	1.5
103.00356	5.9
110.82156	1.1
113.01695	1.9
113.02438	25.0
114.99550	1.9
115.00368	37.4
123.42400	1.1
136.80341	1.1
138.97064	12.1
157.01395	5.6
166.96562	6.8
167.54585	1.2
171.10240	4.9
174.97052	2.1
175.02460	60.0
176.02695	1.7
192.98085	12.5
209.11807	2.1
210.99232	1.9
211.13335	1.4
223.13239	1.4
237.14859	1.2
254.00403	1.1
254.98131	99.8
255.98409	2.9
311.57870	1.3
311.61404	1.3
527.31696	1.6
697.32501	100.0
698.32758	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.4
60.99301	1.7
63.02360	0.7
65.00317	0.7
69.56470	4.0
71.01376	1.3
78.37389	0.6
85.02930	0.7
88.98798	4.2
89.02431	1.1
89.41862	0.5
96.96003	0.9
98.20555	1.4
101.02442	0.8
104.12550	0.8
107.01369	2.4
109.02940	0.9
111.11440	0.5
121.02944	1.6
125.02441	0.6
135.00894	0.6
140.63080	0.6
151.00357	7.6
159.89874	0.6
163.00375	1.5
167.29979	0.6
169.01619	0.7
174.01622	1.1
178.99809	4.5
179.42896	0.6
184.93410	0.6
226.02715	1.0
227.03452	0.9
243.02951	5.1
244.03471	0.8
254.02055	1.5
255.02965	15.2
256.03241	1.1
271.02444	33.2
272.03024	3.1
283.02396	0.8
299.01709	0.8
300.02719	70.0
301.03427	28.8
302.03879	2.4
601.24695	0.6
609.14551	100.0
610.05743	1.2
610.14990	14.3
610.23956	0.5
699.27722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03437	2.1
59.01374	15.3
61.98802	1.9
65.25362	0.5
67.01868	1.1
68.99807	1.5
69.03439	0.6
71.01380	16.6
71.61642	1.0
72.60186	0.6
72.99297	6.0
73.02930	2.5
75.00870	13.9
77.61847	0.5
79.95699	0.6
83.01393	1.2
85.02948	15.4
87.00877	6.7
89.02430	5.5
91.03989	0.9
95.01372	3.7
96.96017	3.6
99.00879	9.0
99.08160	0.7
101.02426	1.7
103.00386	0.8
105.94828	0.5
109.02925	0.8
111.00858	1.2
113.02438	14.9
115.00345	3.0
117.01915	2.2
129.01959	1.0
137.02425	1.1
137.09717	5.3
145.08685	2.6
146.09009	0.7
155.10767	50.7
156.11064	2.1
157.01331	1.2
165.01938	0.8
165.05658	0.6
166.00070	0.5
175.02498	1.3
179.03462	0.7
181.08643	2.2
199.09743	15.0
200.10013	1.0
203.99089	0.6
231.05061	1.8
249.06082	9.4
250.06476	0.8
267.07156	1.3
273.13467	5.0
289.07159	0.7
300.99860	1.1
305.10577	1.6
307.13968	5.4
308.14291	3.4
309.14377	2.3
345.13568	0.6
387.16489	1.3
390.52441	0.6
449.16687	2.3
523.20282	6.7
524.20526	1.0
584.13428	0.6
637.23291	0.8
681.22388	1.9
699.23407	100.0
700.23621	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3421
Annotation	Keayanine
Peak:m/z	Relative Intensity
59.01376	7.7
61.98829	21.2
63.04981	0.8
71.01377	40.1
72.99312	1.3
73.02933	2.5
75.00851	1.0
75.39085	0.8
79.95275	1.4
79.95730	17.9
80.96513	44.4
85.02518	0.9
85.02941	10.9
87.00873	7.9
95.01350	2.0
96.96004	59.6
101.02407	1.6
103.00356	5.0
110.66167	0.8
113.02446	23.9
115.00366	35.6
122.97559	2.0
129.01834	0.9
138.97055	12.0
145.10471	0.9
157.01421	3.9
162.97015	1.1
166.96565	6.2
171.10196	3.6
174.97028	1.0
175.02454	53.9
176.02736	1.1
192.98082	12.4
210.99072	1.7
236.96967	1.1
241.00073	3.2
254.98140	83.4
255.98276	3.9
309.20627	1.1
341.50555	1.0
628.07465	1.0
699.34338	100.0
700.34418	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65417	0.4
56.42968	0.4
59.01362	1.4
61.98829	6.4
71.01369	2.3
71.59946	0.5
71.60361	0.7
72.04465	0.4
78.95894	0.8
79.95271	0.7
79.95730	10.3
80.96500	5.1
83.01388	0.7
85.02940	0.6
87.00848	1.8
94.90060	0.4
96.96004	55.0
101.02424	2.1
113.02422	1.2
122.97612	0.7
130.67252	0.5
138.97050	3.6
150.97055	0.6
166.96547	0.7
168.60750	0.5
171.10228	1.8
171.96977	0.4
241.00195	7.7
253.09286	0.6
261.30869	0.5
309.20935	0.5
372.50388	0.5
433.33606	0.5
512.07043	0.5
699.37750	100.0
700.38110	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	699.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
61.78992	0.2
61.98824	0.4
64.70996	0.3
71.01380	2.7
73.02956	0.7
80.02686	0.7
81.03455	0.7
83.01409	0.6
83.01896	0.2
83.05020	2.8
84.02189	0.5
85.02961	0.7
87.00878	0.7
87.28444	0.3
89.02448	1.6
95.05041	0.3
97.02945	0.3
101.02440	2.4
113.02420	1.2
119.03500	0.4
125.06079	0.4
133.05060	0.5
135.08122	0.4
145.05037	0.7
154.10306	0.3
161.04533	1.1
163.11287	2.3
165.12860	1.2
179.05560	0.3
181.12398	0.4
191.10837	0.7
207.10297	0.5
209.11810	61.6
210.12152	3.6
225.11351	1.0
227.12857	7.5
228.13089	0.4
235.08202	6.0
236.08556	0.4
253.09280	7.1
253.21701	100.0
254.09653	0.3
254.22034	7.9
255.23289	1.6
351.78976	0.2
436.06537	0.3
445.20718	0.3
489.30576	1.0
611.91486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.42698	0.4
83.34840	0.4
84.33267	0.3
98.19828	0.9
136.01469	0.4
155.27882	0.4
437.12448	0.7
438.13229	3.9
439.13791	0.8
451.14063	1.1
452.14783	1.5
453.15210	0.5
466.12381	0.8
467.13586	0.7
470.12057	0.7
471.12271	0.5
479.14093	0.5
480.14316	1.2
481.15134	32.1
482.15497	7.2
495.16791	10.8
496.17059	3.8
497.18399	6.3
498.18726	1.0
514.14813	2.2
515.15857	0.9
523.16425	1.1
524.16534	0.5
525.14319	1.1
528.16943	0.5
539.15424	2.4
540.16534	9.0
541.16309	1.9
553.17603	0.8
554.17969	2.8
555.18805	57.1
556.19012	13.9
567.18671	1.1
569.20276	0.7
572.15454	15.6
573.15765	3.7
586.16937	6.2
587.17230	1.9
609.19788	1.3
627.20874	1.3
641.22528	29.1
642.22791	7.9
701.24628	77.7
702.24902	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	701.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.3
60.06505	5.0
61.98822	17.7
70.92375	5.8
71.60287	10.0
77.11980	5.4
78.95909	11.2
96.96014	10.8
106.11696	5.2
107.82111	6.3
108.84332	5.5
111.42905	5.9
144.94196	5.9
151.59822	5.2
161.08644	6.1
171.10210	12.4
179.80035	6.3
211.13361	100.0
223.13417	11.8
387.79590	6.8
393.88379	7.1
447.22247	7.2
498.08124	6.8
665.38892	12.1
701.33203	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	701.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	21.5
61.98818	4.6
62.57071	1.0
69.03436	1.8
71.01378	7.0
71.14175	1.4
71.14499	1.7
73.02926	1.1
80.02656	1.7
81.03470	1.9
83.01381	2.1
83.05016	3.4
85.02947	3.0
87.00880	1.9
89.02432	4.7
95.05040	1.3
96.95995	3.0
97.02934	6.2
101.02444	6.6
106.79500	1.0
109.06586	25.6
113.02441	4.2
118.33039	1.0
119.03487	1.8
135.08141	3.3
142.02707	1.8
145.05054	1.5
146.02750	1.2
153.12781	2.2
161.04547	2.0
163.11261	13.4
164.11647	1.2
169.12323	8.7
171.10210	1.3
179.05647	1.0
179.10733	1.9
181.12306	3.8
185.11816	1.7
185.47003	1.1
189.09193	2.1
197.11809	100.0
198.12138	5.7
207.10242	59.7
208.10643	4.8
208.91742	1.0
209.11795	8.1
210.12148	1.5
211.13351	2.3
219.10289	1.0
223.13356	1.8
225.11296	30.2
226.11607	1.8
227.12715	1.5
235.08238	4.9
253.09245	8.2
306.84988	1.1
312.09888	1.1
315.23245	1.1
325.21637	2.1
351.19977	1.1
359.22220	3.3
369.20642	5.8
377.23196	2.8
387.21671	12.5
388.21881	1.2
405.22702	4.4
433.20764	3.5
435.12906	1.0
443.19086	4.0
461.20041	10.6
595.31134	3.7
605.29486	3.2
623.30682	35.0
624.30774	7.2
641.31781	36.4
642.32074	5.7
667.15729	1.3
701.35663	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	701.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66586	0.2
59.01373	6.7
61.98818	0.5
66.04824	0.2
69.03436	0.4
71.01382	1.1
77.52157	0.2
85.02928	0.3
87.00903	0.3
89.02442	0.9
89.18586	0.2
101.02431	1.0
113.02423	0.8
141.07167	0.2
161.04472	0.4
167.10770	0.5
167.14349	0.7
171.10291	0.6
179.05557	0.3
183.12393	0.5
183.13889	6.0
193.12317	1.4
209.11868	0.7
211.13368	100.0
212.13707	6.1
235.08179	1.9
252.49646	0.3
253.09276	3.5
387.25314	0.5
390.92432	0.3
405.26352	0.5
429.21249	1.4
447.22305	9.1
448.22482	1.2
623.33728	1.4
624.34650	0.4
641.35028	0.9
701.36688	0.4
722.06433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
59.64365	0.6
69.72472	1.2
69.72880	3.3
71.01376	2.4
72.29655	0.7
77.86657	0.8
78.95907	0.9
79.95728	11.6
80.96511	9.8
87.00890	1.7
87.39845	0.7
87.92203	0.7
91.40403	0.8
94.98106	1.5
96.96006	52.0
100.01095	0.9
101.02429	2.0
104.12336	0.7
106.59998	0.8
110.16754	0.7
111.05901	0.8
122.97515	0.7
138.97044	3.9
153.42018	0.8
162.00336	0.7
164.98529	0.9
225.00706	1.5
241.00253	6.9
268.05502	0.7
313.68335	0.8
366.69821	0.9
701.29584	4.5
701.39343	100.0
702.39752	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	701.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10114	0.3
57.61636	0.3
59.01382	2.9
61.98823	3.2
71.01363	2.5
71.31846	0.3
71.59618	0.3
71.60006	0.5
73.02931	0.5
75.00871	0.4
79.95732	9.2
80.96519	3.7
82.95423	1.4
83.01393	0.6
83.05035	0.5
83.37058	0.4
85.02959	1.1
87.00887	1.2
89.02477	0.6
95.01482	0.3
96.96006	51.8
99.00856	0.4
101.02444	3.0
113.02467	1.3
122.97496	0.5
125.02423	0.5
128.25925	0.3
138.97084	3.4
139.04012	1.4
150.97076	1.0
166.96547	0.7
201.61830	0.4
209.11856	3.1
210.12248	0.5
241.00214	7.9
242.00578	0.5
251.29996	0.4
313.00015	0.7
329.80255	0.4
508.42261	0.4
701.39331	100.0
702.39685	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	701.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
59.01379	2.3
61.82909	0.1
70.91117	0.2
71.01375	2.8
72.99294	0.2
73.02937	1.0
80.02662	0.5
81.03465	0.4
83.01385	0.5
83.05025	2.5
84.02177	0.4
85.02952	0.8
87.00887	0.7
88.67369	0.1
89.02443	1.6
95.01379	0.2
95.05006	0.3
97.02926	0.2
98.19892	0.1
99.00873	0.3
101.02433	2.7
103.03970	0.1
109.06638	0.1
113.02438	1.4
113.68665	0.1
114.49596	0.1
119.03513	0.6
125.06064	0.2
125.09715	0.1
127.74610	0.1
133.05051	0.3
135.08134	0.3
143.03494	0.1
145.05063	0.8
147.11800	0.1
157.05098	0.2
160.33868	0.1
161.04544	1.1
163.11290	2.3
165.12816	1.3
166.13153	0.1
171.79358	0.1
181.12355	0.3
191.10754	0.5
209.11807	61.8
210.12137	3.3
227.12865	7.5
228.13097	0.5
235.08203	6.9
236.08524	0.3
237.22253	0.1
245.53490	0.1
253.09268	7.1
254.09637	0.3
255.23270	100.0
256.23608	7.5
256.27576	0.1
261.82120	0.1
265.57385	0.1
427.19598	0.2
445.20697	0.4
491.32098	1.0
492.32724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29089	0.2
59.01382	1.6
61.53959	0.2
61.98829	0.4
63.55114	0.2
70.72683	0.4
71.01373	1.2
72.99330	0.3
74.99046	0.3
79.95751	0.4
80.85921	0.2
80.96501	0.5
83.05050	0.2
85.02934	0.4
87.00879	0.3
89.02453	0.7
96.95485	0.3
96.96004	1.5
99.00884	0.5
101.02448	0.7
113.02447	0.4
115.00315	0.2
120.99648	100.0
122.00082	1.4
123.83270	0.2
125.02454	0.3
137.02385	0.3
151.03979	0.3
153.05542	0.2
160.01646	0.3
165.05470	0.3
165.81245	0.3
175.03992	0.6
177.05510	0.5
181.05043	0.4
192.04263	0.5
192.99677	1.0
195.06548	0.2
196.07437	0.5
207.06641	0.8
208.02013	1.5
211.09691	0.3
223.04329	3.2
224.04547	0.4
241.05377	0.8
245.01640	0.2
289.07095	0.3
300.99994	0.3
329.07040	0.9
341.10355	0.3
403.10736	0.9
463.08487	0.3
482.64398	0.3
491.12137	2.2
494.14731	0.3
667.31866	0.9
703.31165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26273	5.5
59.01366	25.3
59.24067	5.5
61.98831	100.0
71.01369	6.7
71.27718	8.6
78.95860	5.7
96.95992	25.6
101.02407	7.0
106.70029	6.1
109.06608	6.7
127.73273	6.3
128.51291	6.3
134.49014	5.8
145.88249	6.3
163.11269	7.5
179.66577	6.1
197.11621	8.0
207.10292	30.9
209.11786	23.8
211.13376	14.2
223.13373	18.8
225.11253	22.3
413.23480	8.4
422.25723	7.0
461.20306	14.6
631.31586	10.2
649.31635	31.8
650.32574	12.0
667.33325	40.1
703.30585	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	703.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.1
61.98826	3.7
66.59808	1.0
71.01379	8.7
73.02946	1.9
77.84473	1.1
80.02682	2.6
81.03451	2.4
83.05022	6.6
84.02188	1.8
85.02965	2.7
87.00890	1.7
89.02444	3.8
90.95919	1.0
95.05010	1.4
96.96011	3.2
97.02942	5.1
99.00825	1.7
101.02415	5.9
107.05037	1.6
109.06586	22.9
110.06924	1.4
113.02438	2.2
118.08305	1.0
125.02486	1.5
125.09724	2.1
135.08163	4.4
142.02777	1.5
161.04520	2.3
161.09711	2.0
163.11290	19.2
165.12846	3.7
169.12326	2.5
171.10176	1.7
179.10861	1.0
181.12326	4.2
185.11806	1.4
187.09750	0.9
189.09239	2.0
191.10736	1.4
197.11835	5.7
197.13339	1.0
207.10243	58.5
208.10588	4.1
209.11809	100.0
210.12131	6.3
211.13202	1.6
211.28320	1.0
225.11296	27.0
226.11650	1.6
227.12816	15.0
228.13179	1.2
235.08220	3.5
249.11446	1.2
253.09306	10.8
263.12833	1.3
387.71823	1.1
396.12704	1.1
399.21872	4.9
417.22745	5.6
443.19058	3.9
445.21274	1.3
461.20410	9.6
462.20200	1.4
583.92926	1.0
635.30682	14.4
636.31030	3.6
653.31598	14.1
654.31927	2.9
671.32739	24.2
672.33069	4.4
703.37451	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43798	29.7
55.71313	34.1
59.01348	31.1
61.98818	68.3
70.63731	100.0
76.15133	35.9
78.95914	58.7
81.48699	34.3
96.46229	37.0
96.96008	47.0
109.12726	40.3
152.99535	48.4
168.00194	35.9
168.71611	33.8
171.10194	43.3
188.97232	38.1
209.11780	37.2
255.23351	94.2
275.89670	31.7
277.21606	93.5
650.21515	36.0
703.39886	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	704.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05194	0.1
52.20759	0.1
54.01501	0.1
59.01376	2.6
60.01712	0.2
61.01828	0.1
61.98827	100.0
62.98530	0.2
78.95904	0.1
135.58769	0.1
162.29868	0.1
185.46051	0.1
197.44846	0.1
209.11920	0.1
232.21149	0.1
277.21680	0.1
303.55020	0.1
482.15607	0.1
483.14981	0.3
484.15512	0.5
485.16104	0.1
497.16483	0.1
498.17270	0.2
500.19162	0.1
516.03229	0.1
542.16766	0.1
543.16681	0.1
556.18512	0.1
557.19043	0.5
558.19025	1.2
559.19464	0.1
574.15198	0.1
575.15747	0.3
589.16766	0.1
642.23291	0.1
643.22205	0.2
644.22906	0.7
645.22705	0.1
703.24878	0.2
704.23883	3.0
705.22821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36782	0.1
52.60292	0.1
56.34947	0.1
57.82753	0.1
59.01377	1.7
61.98828	100.0
69.38500	0.3
69.38902	1.0
71.01391	0.4
74.81079	0.1
78.95901	1.1
79.21410	0.1
98.19947	0.3
112.70515	0.1
114.68030	0.2
152.99608	0.5
200.97047	0.1
201.11337	0.2
207.10272	0.2
209.11908	0.5
211.13385	1.5
212.13747	0.8
213.14098	0.4
225.11322	0.2
306.09616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92127	1.1
57.03438	2.2
59.01369	7.0
59.43152	0.9
60.04863	0.9
61.98827	1.5
69.45626	8.2
71.01373	5.1
72.99267	1.4
76.67869	1.0
79.63389	1.2
81.03455	1.1
83.01389	2.5
85.02932	1.8
87.00858	1.4
89.02443	5.0
93.03423	1.3
96.95980	3.9
99.04491	1.3
101.02449	3.2
112.28510	1.1
113.02450	1.5
119.03477	1.8
123.04504	1.1
125.02432	10.0
133.05032	1.2
137.02455	7.6
143.05016	2.0
147.04510	1.3
150.03142	1.0
159.04462	3.9
161.06070	1.4
165.01843	2.7
167.03506	3.5
169.01454	1.9
171.04482	5.6
173.02400	1.8
174.03218	7.8
175.03932	4.5
183.04543	1.7
185.02466	1.3
187.04037	5.7
188.04767	12.7
189.05537	19.0
190.05968	1.2
191.03508	1.3
198.03200	4.9
199.03984	19.4
202.02690	2.7
203.03479	5.3
209.06151	1.2
211.03951	3.2
212.04810	1.3
213.05424	5.0
214.02713	2.1
215.03514	8.3
216.04251	5.2
217.05032	35.0
218.05409	2.5
219.02917	2.2
225.05502	2.0
226.02708	2.7
227.03473	74.5
228.03967	5.8
229.01378	3.0
229.04990	2.6
230.02025	1.7
231.02904	1.3
235.03870	1.1
237.05591	1.2
239.03487	4.5
240.04221	1.2
241.05049	5.0
243.02943	11.5
245.04518	18.1
249.05518	1.1
250.06175	1.3
251.07147	1.4
253.01349	2.1
253.05028	1.7
255.06519	2.0
257.04456	4.3
261.03958	5.4
263.03580	1.1
269.04453	1.3
269.08127	1.6
271.02457	16.7
271.05597	1.8
277.04797	2.5
278.05780	1.5
279.06503	3.0
280.03696	1.6
281.04590	7.9
283.02463	2.9
285.04156	1.3
289.03534	1.7
293.04453	1.9
293.08002	1.8
295.06265	2.5
295.10275	7.0
297.07657	1.9
299.05374	1.8
303.05188	3.2
313.03470	4.5
319.06168	2.2
321.03818	1.1
321.07507	2.7
323.05649	2.2
325.03278	1.7
331.04559	1.7
333.06046	1.5
337.07126	2.9
347.05573	6.0
363.07730	1.8
365.06680	7.1
367.04504	2.1
373.05319	3.9
383.07458	2.2
391.04489	7.0
392.04749	1.7
409.05530	8.3
427.06720	2.6
469.07877	1.2
499.08450	1.6
525.12061	1.9
529.09454	2.2
537.12415	1.6
539.13947	3.2
549.12537	19.9
550.13153	1.8
564.27533	1.1
567.13214	6.5
568.13391	1.1
589.11768	3.4
661.17694	1.6
669.14471	1.9
687.15625	11.6
688.15747	2.7
705.16565	100.0
706.16797	19.1
706.28174	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	705.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47943	1.5
59.01377	14.3
61.98829	10.0
69.03430	1.7
70.33672	1.5
71.01379	100.0
71.06654	3.8
72.01698	1.8
73.02931	3.3
77.07086	1.6
78.95899	6.7
81.03448	3.2
83.05010	4.0
85.02937	4.9
87.00867	12.5
89.02440	3.8
97.02926	3.7
99.00880	1.9
101.02417	5.6
109.06590	15.9
111.04511	1.9
113.02412	4.5
119.08480	1.7
121.06633	2.6
123.11354	1.4
125.09718	7.7
127.11275	3.0
135.08142	3.7
142.02702	2.0
150.09238	1.6
152.99535	3.2
156.61725	1.4
161.04535	2.1
161.09692	4.0
163.11314	13.4
171.10246	29.9
172.10497	1.6
179.10757	3.8
181.12271	4.7
185.11774	2.3
187.09697	2.3
197.11807	3.1
199.09785	2.4
201.11322	13.3
205.08598	3.7
207.10275	35.7
208.10687	2.6
209.11815	32.3
213.11220	1.9
215.12791	3.4
221.11880	1.9
223.09727	8.6
225.09224	2.3
225.11308	36.5
226.11736	3.8
227.12816	4.3
235.08195	3.9
240.05226	1.5
243.12280	1.6
253.09244	6.1
295.53940	1.7
405.17108	1.8
461.20087	4.8
530.40808	1.6
625.30444	2.1
646.88043	1.7
673.33496	1.8
687.32684	1.6
705.33228	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	705.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01382	4.9
61.98830	7.0
71.01374	3.6
71.60516	0.6
72.00146	0.3
72.92207	0.3
72.99321	0.6
73.02939	1.0
75.00864	0.8
79.95724	1.3
81.03473	0.4
82.95400	1.2
83.01380	0.4
83.05025	0.7
85.02935	1.7
87.00875	100.0
87.04493	0.8
88.01218	1.6
88.22529	0.3
89.02471	1.8
94.95251	0.3
95.01410	0.6
96.96008	20.1
97.02908	0.7
98.96353	0.3
99.00883	1.1
100.47728	0.4
101.02444	1.8
111.00851	0.4
113.02435	1.5
116.92809	0.5
117.03460	0.3
119.03571	0.4
119.05052	0.4
120.74391	0.3
120.79113	0.3
121.02970	0.4
123.04522	1.1
123.08135	0.3
124.01666	0.4
125.02442	1.3
130.25456	0.3
134.29642	0.3
137.02435	1.2
139.11275	0.3
145.02969	2.1
150.03136	0.5
151.03995	0.7
153.01822	0.5
161.04555	0.7
163.03993	0.6
163.11287	0.7
165.01855	0.5
165.05547	0.5
167.03404	0.4
167.07195	0.4
169.12300	2.2
171.10281	3.1
179.03621	0.3
179.05605	0.4
190.30171	0.3
197.11819	3.9
201.11194	0.4
208.38300	0.3
209.11824	7.0
210.12300	0.5
221.08253	0.4
225.11272	0.8
227.12885	0.8
253.09271	0.6
263.07721	0.4
289.07135	0.8
290.07504	0.4
300.99820	0.4
301.03235	0.5
435.36215	0.4
589.24487	0.3
608.12952	0.4
653.23450	0.4
667.23322	0.7
669.38824	0.4
687.32361	5.9
688.32513	1.0
705.33234	13.7
706.34503	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	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98813	0.2
66.31491	0.2
69.68742	0.9
69.69157	0.5
71.01382	1.9
73.02945	0.4
80.02692	1.0
81.03463	1.0
83.01362	0.5
83.05016	4.2
84.02158	0.8
84.05296	0.3
85.02954	0.3
87.00870	0.3
89.02446	1.7
95.04998	0.6
101.02428	1.3
109.06589	0.3
111.08194	0.2
113.02445	0.7
119.03518	0.5
125.06102	0.3
135.08151	0.5
145.05032	0.3
147.11818	0.2
151.81509	0.2
161.04527	0.6
162.71928	0.2
163.11276	3.8
165.12833	2.1
169.12294	0.2
171.10220	0.6
181.12366	0.6
191.10760	0.8
209.11807	100.0
210.12154	6.4
221.11707	0.3
223.09760	0.2
225.11324	0.2
227.12863	14.0
228.13194	1.2
235.08183	1.7
247.13385	0.4
253.09261	5.4
254.09993	0.2
395.20319	0.2
401.23358	0.3
445.20688	1.8
463.21570	0.2
637.32465	0.7
733.40198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98826	100.0
62.05925	0.1
62.98526	0.2
71.01394	0.2
72.86571	0.1
87.00890	0.1
88.08028	0.1
88.59625	0.1
88.98814	0.1
89.02423	0.1
90.17815	0.1
96.96024	0.1
102.18394	0.1
107.31993	0.1
109.06609	0.1
113.02454	0.1
131.47256	0.1
183.13947	0.3
184.14302	0.1
197.11859	0.2
207.10275	0.1
209.11836	0.9
210.12256	0.3
225.11276	0.4
377.77310	0.1
435.16269	0.1
444.06958	0.1
461.20496	0.1
543.23816	0.1
653.31909	0.1
656.02539	0.1
671.33142	0.1
674.34692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57064	0.1
69.71764	0.1
79.95730	2.9
96.96005	100.0
97.95953	0.4
125.02431	0.2
126.75173	0.1
137.20329	0.1
169.01477	0.2
185.85860	0.1
271.02585	0.1
289.07141	0.3
300.02740	0.4
365.53305	0.1
599.85938	0.1
609.14478	0.8
671.25647	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72589	0.4
52.36600	0.3
55.01873	0.5
57.03450	0.9
58.00590	0.5
59.01377	100.0
60.01709	1.0
63.44675	0.5
69.03439	0.4
69.29859	3.8
71.01379	14.0
71.01775	0.9
72.99308	0.9
73.02940	5.8
75.00870	0.7
76.85825	0.4
78.76199	0.4
79.95744	1.9
83.01374	2.5
85.02942	4.9
87.00873	1.0
89.02439	8.1
95.01381	2.1
95.87363	0.4
96.96006	5.3
97.02951	0.4
97.86167	0.4
99.00887	1.0
101.02433	7.1
109.03056	0.5
113.02448	11.1
114.02806	0.7
119.03500	2.9
123.04519	0.5
125.02465	2.5
125.63051	0.4
131.03534	1.2
137.02472	0.8
143.03487	2.0
149.04593	0.7
155.03491	0.4
161.04561	3.2
165.01984	0.6
179.05653	1.1
203.98979	0.5
243.96805	2.2
244.46956	0.5
259.48108	0.4
289.07281	1.7
319.14246	0.5
387.09106	0.5
499.25452	13.7
500.26126	1.6
517.26550	23.0
518.26862	3.6
535.27594	4.4
536.28113	0.7
559.27429	12.7
560.27942	2.3
577.28528	9.2
578.29199	1.7
619.29474	0.8
707.23456	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	707.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59385	2.0
57.18522	2.5
58.00569	2.7
59.01377	76.7
61.98822	32.5
65.61447	2.6
71.01376	14.7
73.02940	4.6
80.96493	2.6
81.03454	2.8
83.01376	4.1
83.05006	2.8
85.02950	7.7
89.02463	5.6
95.01390	3.0
96.95998	7.6
99.00868	3.4
101.02438	12.8
109.06594	14.3
113.02453	8.7
119.18424	2.3
161.04530	9.4
163.11238	9.0
176.27119	2.8
179.05634	3.2
183.81630	2.2
185.11839	3.5
189.09044	3.9
207.10245	45.6
209.11812	100.0
210.12277	5.8
213.84888	2.7
225.11247	26.2
227.12848	27.1
235.08144	7.7
253.09232	13.1
265.14496	2.8
266.74484	2.4
399.21701	3.7
417.22855	6.7
441.33456	3.7
443.19482	3.4
445.20844	3.2
461.20374	11.4
485.32626	5.6
536.78186	3.2
635.30579	34.5
636.31061	7.2
647.37952	21.6
648.38544	4.4
653.31708	33.4
654.31805	8.6
671.32904	46.9
671.43805	4.6
672.32837	7.4
691.36426	5.8
707.29584	48.0
707.38538	7.5
708.30701	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	707.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68779	3.7
57.42119	3.5
59.01379	45.9
61.98828	100.0
71.01379	15.1
71.50763	5.9
76.73830	4.7
84.58520	3.0
89.02444	7.8
96.96013	17.2
99.00905	3.4
101.02422	5.5
101.39133	3.3
109.06570	9.7
113.02410	5.0
147.74898	3.3
156.84258	3.2
185.11896	3.7
199.13281	3.5
205.48941	3.0
207.10216	18.7
209.11795	37.8
210.12178	3.6
217.08270	4.6
225.11316	24.4
227.12836	10.2
253.09216	3.9
378.88226	4.7
394.56961	3.9
443.19174	3.9
461.19983	12.7
485.32632	4.8
635.30328	14.6
653.31897	17.5
654.32031	4.1
671.32892	15.1
672.33411	4.4
707.30133	12.3
707.40314	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	707.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
58.00575	1.5
59.01377	20.9
61.98834	7.8
71.01380	80.1
71.44564	1.3
72.99284	1.4
73.02937	6.1
75.00875	1.8
77.37868	1.1
77.56944	1.3
78.51797	1.1
81.03450	2.8
83.01368	1.8
83.05022	4.9
84.87746	1.1
85.02953	4.6
87.00872	2.8
89.02435	7.7
93.91650	1.2
95.04990	2.1
96.96003	7.4
97.02946	3.6
99.00888	3.8
101.02426	8.0
109.06552	6.0
110.03793	1.4
113.02443	7.1
114.34985	1.2
119.03484	2.4
123.04520	4.7
125.02448	4.6
125.09757	2.9
127.11273	2.9
128.76488	1.1
135.08131	1.5
137.02457	1.6
137.09718	1.5
151.03969	1.5
153.05553	4.4
155.10818	2.2
161.04501	3.8
163.11295	10.0
165.12843	2.6
171.10260	47.6
172.05273	1.5
172.10616	2.4
179.10857	1.2
181.12309	3.8
189.09151	1.7
199.09746	7.7
199.13318	1.6
201.11302	38.9
202.11676	2.2
207.10251	22.7
208.10590	1.7
209.11815	100.0
210.12173	7.0
215.12819	2.4
225.11292	22.3
227.12883	14.2
235.08173	5.1
253.09314	11.4
267.07333	1.6
373.26056	1.4
391.21033	1.6
399.22104	1.5
457.44476	1.2
461.20276	5.1
485.32574	5.2
486.33582	1.4
645.31219	2.4
647.37445	1.5
671.32965	4.5
689.33698	3.4
707.34491	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	707.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46395	0.8
53.00316	0.9
53.67956	0.7
57.03432	1.8
58.00582	1.2
59.01102	1.1
59.01377	17.9
61.98829	10.9
71.01378	88.1
71.05007	1.1
71.14483	1.1
71.14802	1.0
72.01715	1.5
72.99311	1.5
73.02941	3.7
73.49371	0.8
75.00846	0.9
80.02644	1.2
80.30363	0.7
80.96494	1.0
81.03453	2.8
83.01379	2.2
83.05023	6.2
84.02131	1.3
85.02957	4.3
87.00856	2.7
88.98819	1.0
89.02429	6.5
95.01384	1.0
95.05035	2.0
96.96002	5.9
97.02926	2.1
97.06568	0.9
99.00870	2.8
101.02437	6.6
109.06577	6.6
113.02422	5.1
113.06013	0.7
119.03500	2.3
121.06525	1.0
123.04519	4.2
125.02419	1.6
125.09715	3.2
125.71038	0.9
127.11259	2.5
135.08150	2.9
137.02457	1.0
143.03419	1.2
145.05052	1.3
151.03915	0.8
153.05602	4.6
153.09106	0.8
155.10706	2.4
161.04561	3.3
163.11269	8.1
165.01762	0.9
165.09151	1.4
165.12831	2.1
167.10622	0.9
170.54807	0.8
171.10262	65.2
172.05260	2.5
172.10562	2.5
179.05565	0.8
179.10773	1.2
181.12355	3.0
185.11836	2.4
191.10989	1.0
197.11812	1.0
199.09723	6.3
199.13365	1.4
201.11310	34.4
202.11588	1.9
205.05020	0.9
207.10249	18.0
208.10629	1.2
209.11809	100.0
210.12109	7.3
215.12959	1.3
225.11304	21.6
226.11705	1.6
227.12843	13.7
235.08179	4.3
243.12286	2.4
253.09276	14.8
254.09500	1.6
267.07227	1.1
291.19672	1.9
371.24432	1.1
437.19992	1.3
443.19342	1.0
461.20428	4.2
479.21936	1.0
517.40137	0.9
545.31067	1.3
592.97809	0.8
635.31305	1.1
645.31470	1.1
647.36743	2.3
665.37341	1.8
671.33423	2.5
672.33020	1.4
689.33728	2.1
707.35602	12.0
707.73145	0.8
708.36310	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	707.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03433	1.3
58.00606	0.9
59.01374	17.4
61.98824	12.6
71.01377	48.9
71.59442	0.8
72.01713	1.0
72.99271	1.6
73.02966	4.0
75.00867	1.2
80.02686	1.6
81.03434	2.6
83.01391	1.9
83.05029	5.6
84.02158	0.9
85.02953	3.9
87.00872	2.9
88.98801	1.1
89.02449	6.0
93.09770	0.9
95.01412	1.3
95.05042	1.1
96.96009	7.1
97.02934	2.0
97.06583	1.2
99.00866	5.0
101.02443	6.8
107.01430	0.7
109.06586	5.0
111.04561	0.8
113.02448	4.2
115.55898	0.8
119.03509	1.4
121.06564	1.4
123.04491	1.5
123.08150	1.2
124.01605	0.8
125.02392	2.7
125.06075	1.0
125.09712	2.8
127.11263	3.7
127.80986	0.8
131.03444	0.9
135.08105	2.0
137.02385	1.5
143.03487	0.9
145.04990	0.8
151.00331	1.9
153.01907	2.2
153.05553	0.9
153.09140	1.4
155.10812	2.0
161.04533	3.1
163.11285	8.0
165.01904	0.9
165.09250	1.2
165.12822	2.6
167.03555	0.9
169.12405	0.8
171.10255	48.4
172.10551	2.2
179.05583	1.1
181.12311	2.4
185.11810	7.8
189.09192	0.9
191.10692	1.0
197.11827	1.8
197.47247	0.8
199.09761	6.1
199.13469	1.4
201.11307	23.3
202.11761	1.6
207.10223	15.4
208.10576	1.2
209.11804	100.0
210.12141	8.2
225.11288	17.0
226.11610	1.0
227.12871	12.7
228.13210	1.4
235.08238	4.9
253.09283	12.4
300.02682	1.4
301.03595	2.0
342.69211	0.8
391.21082	1.0
399.21716	1.5
417.22763	1.2
435.18533	1.5
461.20197	3.9
552.08527	0.9
625.18799	1.3
635.30621	2.4
653.31647	2.3
671.20801	1.1
671.32190	4.6
672.33209	1.9
675.32294	10.0
676.32373	2.5
689.33044	2.8
707.34387	11.3
708.34448	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	709.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34880	0.8
59.01374	11.0
62.60578	0.8
62.76614	0.9
69.03490	0.8
71.01380	10.8
73.02946	2.0
76.95402	1.0
78.95930	1.2
81.03442	1.8
83.01411	1.7
83.05032	3.2
85.02960	2.0
87.00879	1.1
89.02447	4.1
95.01398	0.9
97.02940	3.6
97.06591	1.0
98.20632	4.1
99.00888	1.9
101.02436	6.5
109.06586	19.3
109.95400	0.8
110.03747	1.9
113.02461	2.8
119.03490	1.4
121.06586	1.1
135.08141	2.0
136.05281	1.3
142.02747	1.2
145.05069	1.4
148.10533	0.9
161.04518	2.4
161.09714	1.7
163.11256	11.4
171.10226	2.5
179.05516	1.1
181.12288	2.5
183.13884	21.1
185.11859	1.8
189.09186	1.1
193.12341	1.7
199.09708	1.3
207.10233	54.1
208.10583	2.5
209.11784	11.9
211.13371	100.0
212.13702	6.5
225.11282	27.3
226.11646	1.3
227.12848	3.5
230.18797	1.1
235.08223	5.1
253.09265	12.1
299.15005	1.2
311.91705	1.0
373.23682	4.9
383.22260	3.7
391.24792	3.2
401.23300	7.9
419.24527	2.9
443.19067	2.3
447.22098	1.4
461.20230	10.5
462.20538	1.5
463.21899	1.5
611.31268	1.0
619.31616	0.9
637.32190	11.4
638.32782	2.0
655.33313	17.0
656.33917	6.0
673.34503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	50.1
61.98819	19.8
71.01364	28.3
78.95895	14.7
89.02479	5.8
91.24932	4.9
101.02402	14.8
101.19789	5.2
104.92472	4.9
109.06588	5.2
135.79344	4.4
139.12128	5.0
152.99551	6.7
163.07600	10.8
171.10274	11.6
175.05609	5.3
183.13866	44.1
188.26489	5.0
197.11755	6.5
199.09682	27.0
207.10265	12.1
209.11748	36.8
211.13397	100.0
225.11298	14.9
227.12852	15.9
235.08240	17.1
253.09268	19.5
293.21170	10.5
299.27335	6.1
331.91794	5.6
445.20694	6.7
461.36340	10.0
463.21481	8.2
611.30389	11.6
629.31628	7.0
637.31812	9.3
655.33539	10.9
673.34497	11.2
709.32098	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	709.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01375	19.4
61.98841	5.8
70.78913	2.7
71.01382	7.1
72.99337	1.4
73.02940	3.4
75.00869	1.0
78.95901	2.3
80.96557	1.6
81.23418	1.0
83.05006	1.9
85.02935	1.8
87.00864	1.2
88.98811	2.3
89.02441	3.4
96.95995	3.1
97.02979	1.2
98.55470	1.2
101.02451	3.8
105.49294	1.1
108.04575	2.9
109.04353	1.0
109.06577	1.4
110.15485	1.1
113.02437	5.1
117.72713	1.1
142.62750	1.2
144.12080	1.5
151.07607	1.5
161.04526	2.0
163.11226	2.5
171.10294	5.0
181.12364	1.5
207.10249	7.1
207.89026	1.0
209.11806	100.0
210.12177	6.1
211.13350	1.3
225.11328	3.3
227.12852	31.1
228.13187	2.4
235.08218	3.7
243.39943	1.3
253.09235	6.8
295.86560	1.3
417.22900	1.5
438.93127	1.2
445.20798	10.0
447.79309	1.1
463.21619	3.2
469.33096	3.6
470.33319	1.7
487.34393	1.5
635.30505	3.0
637.31396	6.3
649.38989	3.0
653.31976	2.9
655.33331	3.5
671.32550	4.7
673.33801	2.1
709.31427	32.8
710.31390	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	709.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.9
61.98824	10.3
71.01371	8.5
73.02940	4.6
76.56583	3.0
78.95895	19.0
83.05029	3.4
85.02937	3.8
89.02428	3.7
89.71918	3.0
96.96013	6.9
97.46404	2.8
97.76871	2.7
98.19852	6.9
101.02426	7.0
113.02460	4.4
152.99524	8.3
171.10258	9.2
181.08705	3.6
183.13843	12.6
199.09741	40.1
200.10057	3.5
207.10297	17.8
209.11816	9.4
210.12125	4.2
211.13385	100.0
212.13693	8.2
225.11270	13.0
227.12866	3.3
229.11740	4.3
235.08252	7.1
246.74184	3.1
253.09276	10.3
279.23254	4.6
330.82376	3.6
375.21902	4.1
435.18661	5.6
447.22211	9.4
461.19968	4.3
593.29205	4.1
611.30554	6.7
629.31976	6.3
637.32123	7.2
655.33478	10.5
656.32898	3.3
677.35321	6.2
709.36053	15.9
710.35278	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	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
63.96214	1.9
70.05896	0.8
71.01381	9.3
73.02933	1.8
78.95897	14.7
78.98576	6.2
79.95728	15.2
80.96513	79.3
81.03465	1.0
85.02930	3.5
87.00866	3.8
94.09884	0.9
94.98082	17.4
96.96027	1.0
96.96928	1.3
97.02936	3.0
101.02442	2.1
106.98069	3.9
109.06584	7.6
117.72575	0.9
122.97568	2.0
125.02431	2.9
134.97562	5.9
136.99121	1.7
138.35330	0.9
148.99150	6.9
152.98523	6.3
152.99648	8.8
154.35417	0.8
163.11237	3.9
163.12447	0.9
164.98619	13.2
171.00606	1.2
171.10249	2.5
181.12299	2.2
206.99632	3.8
207.10240	15.3
209.02219	1.0
223.97089	0.9
225.00755	19.4
225.11296	11.6
229.20526	0.9
255.23257	15.6
256.23593	1.2
279.23227	1.5
361.10373	1.0
453.14124	3.2
483.26883	1.5
537.27356	1.7
645.02393	1.0
691.38293	9.0
692.38739	1.6
709.38318	100.0
710.38562	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	709.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
57.05284	0.4
59.01363	1.0
63.96238	1.8
69.03437	0.7
69.87222	1.6
71.01381	8.0
71.01778	0.7
72.99311	0.4
73.02945	1.6
78.98589	7.1
79.95732	13.0
80.96510	77.1
81.03455	0.7
83.01375	0.3
85.02934	2.6
87.00872	2.5
94.98082	16.7
96.95999	1.4
97.02936	0.8
99.00896	0.4
99.04510	0.4
101.02436	2.4
106.98074	3.5
113.02466	0.4
122.97594	4.0
124.49888	0.4
124.75922	0.3
125.02453	3.0
125.09702	0.3
126.25669	0.3
127.03987	0.8
134.97568	6.1
136.99106	1.3
148.99132	6.4
152.98616	5.2
164.98619	12.4
165.35057	0.3
167.00169	0.6
171.10207	2.1
206.99641	2.6
221.46248	0.3
225.00723	18.9
226.00877	0.6
255.23186	2.2
355.43402	0.4
358.78506	0.4
359.71088	0.4
453.14310	3.2
499.48380	0.4
518.53510	0.4
537.27509	1.7
709.38300	100.0
710.38599	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
59.01378	5.1
61.98830	2.4
68.99571	0.4
69.03456	0.6
70.07305	1.8
71.01382	5.2
73.02945	1.0
78.95891	0.8
80.96494	0.7
83.01368	0.7
83.05001	1.4
85.02942	1.7
87.00859	1.4
89.02435	2.1
95.01330	0.5
95.05010	1.6
96.38398	0.4
97.06583	6.0
100.25206	0.4
101.02428	4.6
112.44940	0.5
113.02432	1.6
119.03448	0.6
125.09692	0.7
133.10202	0.6
143.03514	0.4
145.05023	0.9
151.11266	18.0
152.11551	1.0
152.99582	1.2
161.04518	1.7
169.12328	48.4
170.12660	2.2
179.05620	0.4
195.10239	3.8
201.11311	1.2
209.11761	1.1
211.67384	0.4
213.11272	5.8
214.11525	0.5
235.08231	1.2
253.09288	2.7
259.20676	0.6
277.21695	53.0
278.22028	5.4
279.23712	0.4
431.19104	1.9
449.20300	2.6
473.17828	0.7
555.95532	0.4
605.62103	0.4
674.27277	0.4
709.41595	100.0
710.41968	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.00592	0.4
59.01376	6.4
59.87366	0.3
61.98817	0.5
69.03455	0.7
69.48014	0.8
69.48422	1.7
71.01384	4.6
71.05021	0.3
72.99306	0.4
73.02945	1.2
76.35849	0.4
78.95898	0.5
83.01389	1.0
83.05029	0.4
85.02940	1.0
87.00890	1.0
89.02446	4.5
95.05051	1.0
97.06577	3.0
100.45497	0.3
101.02449	4.4
103.03989	0.5
113.02456	2.2
119.03506	0.8
126.71970	0.4
143.03452	0.5
151.11281	14.4
152.11613	1.1
152.99573	1.5
158.44589	0.4
161.04555	1.2
168.39091	0.3
169.12331	99.6
170.12677	5.7
179.05579	0.5
195.10173	1.9
201.11310	1.0
209.11818	0.9
212.12694	0.4
213.11319	11.8
214.11627	1.0
235.08228	1.3
235.78226	0.4
253.09341	2.3
277.21710	23.3
278.22089	2.3
287.15121	0.4
322.62769	0.4
337.68564	0.4
341.75937	0.4
361.23090	0.4
376.56699	0.4
431.19257	2.6
432.19876	0.5
449.20264	7.2
450.20688	0.7
469.18890	0.4
473.17941	0.9
487.33908	0.5
577.54022	0.4
645.81989	0.4
709.41620	100.0
710.41986	24.7
710.51782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82497	0.2
57.18951	0.2
58.87562	0.2
59.01376	0.2
61.98809	0.3
69.94404	0.4
69.94811	0.7
79.95717	1.5
95.95268	0.5
96.96003	57.6
97.26419	0.2
98.95586	0.8
102.12884	0.2
108.02154	0.7
109.02930	1.5
119.05024	1.8
121.02925	0.4
123.04522	1.0
133.02957	0.4
135.04582	0.3
149.02460	1.0
151.04004	0.5
159.04532	0.2
161.02449	4.1
162.02950	0.4
163.03993	2.7
164.04398	0.2
165.01924	0.9
175.03964	0.4
180.04243	0.3
189.01964	0.3
195.06625	0.4
201.01883	0.2
202.02678	0.3
203.03462	0.4
235.67673	0.2
238.08600	0.2
289.07217	0.4
289.10992	0.3
303.09192	0.2
307.12170	100.0
308.12491	8.5
309.11847	1.2
313.07233	0.9
325.06683	1.6
343.08096	0.4
357.09857	0.3
437.12256	0.6
440.18057	0.2
448.00327	0.2
449.12372	0.8
467.13428	3.9
468.13986	0.7
665.49170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.6
61.98814	12.3
70.73998	6.8
70.74333	3.3
71.01383	15.2
74.68497	3.0
78.95876	3.5
85.02953	5.2
89.02482	15.4
89.02927	2.9
96.42887	2.6
96.96009	7.0
97.28835	3.1
101.02449	16.0
113.02425	8.1
119.03496	4.5
125.02419	5.0
143.03546	3.6
157.87807	2.9
161.04533	5.8
179.05595	5.4
209.11832	3.1
235.08229	9.8
253.21686	4.5
263.87164	3.0
277.21661	38.9
287.07465	3.9
305.08768	3.0
316.05176	2.9
355.03195	3.4
392.11453	2.9
397.13467	100.0
398.13434	6.5
415.14575	27.6
569.31396	5.4
629.33606	7.0
675.36255	6.5
711.33466	69.7
712.33325	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	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04049	4.4
57.03452	5.7
59.01374	57.9
61.98828	100.0
70.64253	4.5
71.01383	30.2
73.02950	6.4
78.95893	10.3
80.96501	9.5
85.02928	5.2
89.02428	11.7
96.95999	16.7
98.00754	4.1
101.02444	18.8
104.30286	3.9
109.06628	5.3
110.86241	4.3
113.02443	15.6
115.00354	6.1
119.03476	8.1
119.07836	4.4
161.02364	6.7
168.63121	4.8
169.27672	4.6
175.02466	13.5
177.40929	4.4
197.11807	46.2
209.11816	71.3
210.12228	8.2
211.13364	41.2
227.12811	25.4
230.37613	6.5
235.08075	5.3
254.98103	26.0
260.76001	4.6
282.62378	4.9
289.07089	6.9
373.08966	4.2
414.70172	4.7
433.20776	7.3
445.20563	8.2
447.22552	6.4
450.97931	4.8
625.32123	6.5
651.40125	8.2
711.33185	56.3
712.34265	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	711.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59419	3.3
55.68381	3.4
59.01373	38.3
59.18265	3.6
61.98824	23.6
71.01368	27.9
73.02952	3.5
79.95755	4.9
80.96525	9.7
85.02938	10.4
87.00888	5.0
89.02412	7.3
96.96001	23.8
101.02432	8.3
113.02438	15.3
115.00383	9.2
119.30508	3.6
120.99735	3.3
137.36488	3.8
147.27640	3.4
161.04536	3.3
169.12383	4.5
175.02475	14.3
192.98187	3.8
197.11804	91.6
198.12173	8.2
209.11803	100.0
210.12112	6.6
211.13385	24.1
227.12778	22.7
235.08200	6.1
253.09242	10.6
254.98131	28.1
289.07175	4.1
301.03418	14.2
324.67294	3.9
433.20520	20.5
445.20493	8.0
447.22095	3.5
625.32355	9.7
643.33752	5.4
651.40784	7.0
655.32739	4.0
711.33484	80.6
712.34100	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	711.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03448	3.2
57.65273	0.6
58.00580	1.6
59.01375	29.8
61.98813	2.4
69.03450	0.9
71.01376	32.7
71.60950	0.9
72.99282	1.6
73.02946	10.8
75.00876	1.0
81.03474	0.7
83.01377	6.4
85.02943	19.6
87.00860	3.3
89.02439	10.5
95.01382	2.5
96.95972	4.4
97.02946	2.4
99.00864	5.1
101.02432	30.0
113.02445	19.0
114.02745	0.8
119.03521	4.1
124.01618	1.0
125.02454	5.9
129.01863	0.9
131.03500	7.6
139.04004	1.2
143.03505	2.1
150.06816	0.8
159.02977	2.6
161.04547	11.5
179.05559	1.3
188.26981	0.7
209.11873	1.0
220.20799	0.7
221.06671	0.8
222.46039	0.7
244.28722	0.8
257.84717	0.6
357.22794	13.2
358.22925	1.2
489.26968	7.5
490.27570	0.8
507.33145	1.0
519.28027	25.4
520.28754	3.7
549.23413	1.7
651.32202	100.0
652.32501	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	711.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45765	0.5
55.01862	1.7
57.03431	1.9
58.00575	1.9
59.01376	27.5
60.01711	0.7
61.98828	12.1
62.65553	0.6
69.03423	1.0
70.48936	1.1
70.49294	1.3
71.01378	33.9
72.01723	1.0
72.99285	2.0
73.02942	10.8
75.00867	1.8
78.79156	0.7
78.95870	0.7
81.03432	1.0
83.01378	4.3
85.02943	15.1
87.00858	2.6
88.98808	1.1
89.02440	14.0
95.01383	2.8
96.96001	5.5
97.02951	2.9
99.00883	5.0
99.04491	0.8
101.02435	28.6
108.04556	4.4
111.00892	1.0
113.02441	15.1
115.00382	0.8
115.03983	1.3
116.92851	0.9
119.03513	2.4
120.99628	0.7
123.00851	0.9
123.04559	0.8
125.02438	5.9
129.01912	0.9
131.03499	1.5
137.02434	1.2
143.03481	1.9
149.04544	1.3
150.05608	2.3
150.06793	1.1
151.03981	0.7
159.02968	2.5
161.04552	10.0
165.01881	0.6
174.01518	0.6
179.05580	1.4
179.10664	0.6
209.11754	2.8
211.13533	0.7
227.12791	2.3
289.07181	1.2
357.22736	7.8
373.25888	1.9
489.27017	9.2
490.26965	1.1
507.32919	1.0
519.27838	3.9
558.52191	0.8
651.32251	100.0
652.32599	20.8
657.22278	0.7
711.38074	2.1
731.11719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	25.9
61.98834	36.0
66.42756	10.0
71.01393	17.3
71.26828	15.3
71.27168	10.8
73.02911	8.2
87.95670	6.9
88.98798	8.5
89.02474	19.4
96.95996	10.5
98.06394	7.3
101.02435	13.3
113.02444	8.5
115.22221	9.0
130.75809	7.2
138.32376	7.0
214.13736	8.8
230.87608	8.5
235.08212	11.2
279.23199	57.8
397.13522	100.0
415.14331	30.2
443.81708	10.1
539.32483	9.0
600.72968	9.1
674.68030	8.1
677.37109	12.3
713.34674	68.8
714.35480	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01371	9.9
59.54031	0.5
61.98819	0.8
62.75815	0.4
67.01863	0.7
68.67186	0.5
69.03452	0.9
71.01377	45.0
71.13709	0.7
72.01728	0.5
72.99322	1.1
73.02926	2.6
75.33516	0.4
75.80103	0.4
79.95730	14.0
80.96510	48.8
83.01388	0.9
85.02942	12.3
87.00863	8.7
95.01370	2.5
96.96004	43.8
99.00850	0.6
103.00375	7.0
111.00885	0.9
113.02444	28.1
115.00367	37.9
116.00675	0.6
117.75327	0.5
122.97571	1.3
125.57446	0.5
129.01956	1.1
130.68680	0.5
138.97067	12.3
150.96991	0.5
152.56639	0.5
157.01407	5.3
162.97099	1.1
165.49396	0.5
166.96545	7.5
174.97076	1.4
175.02464	59.4
176.02783	2.1
192.98102	12.7
209.31038	0.5
210.99162	2.3
211.13190	0.5
236.97078	1.5
254.98135	100.0
255.98521	2.7
402.70215	0.6
412.57419	0.5
519.32214	0.5
550.86914	0.5
713.35687	97.9
714.35986	21.3
714.48651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
57.04888	0.6
59.01371	9.3
61.98818	1.6
64.26407	0.6
69.57840	3.0
69.58252	1.2
71.01376	44.6
72.01705	0.8
72.99317	0.9
73.02934	3.1
79.95732	12.6
80.96512	46.5
82.14923	0.6
83.01372	0.7
85.02944	11.4
87.00871	9.1
95.01379	3.2
96.96003	39.4
99.00893	0.7
101.02428	0.7
103.00373	6.5
103.06321	0.6
107.94860	0.6
111.00864	1.0
113.02439	25.2
115.00365	37.1
116.00656	1.1
116.54967	0.6
122.97594	1.0
129.01900	0.7
138.97067	11.8
141.89342	0.6
157.01395	5.5
159.31125	0.6
160.06096	0.6
162.97067	1.1
166.96550	6.6
175.02458	60.7
176.02776	1.7
183.98936	0.6
192.96460	1.0
192.98099	13.2
200.06322	0.6
210.99101	2.3
236.97000	0.8
254.98123	94.0
255.98447	2.7
713.35681	100.0
714.35907	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	713.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46467	0.6
55.01870	0.7
57.03436	1.0
58.00592	1.8
59.01377	30.0
59.25159	0.6
60.20450	0.6
61.98825	1.3
69.03452	1.2
71.01379	25.9
72.99318	1.7
73.02939	4.8
75.00874	0.7
77.68010	0.6
80.72080	0.5
81.03437	0.6
83.01402	3.0
85.02956	5.7
87.00875	6.8
89.02438	23.4
91.04050	0.8
95.01373	1.3
97.02946	3.9
98.19907	1.3
99.00881	1.6
101.02442	18.3
102.02778	0.7
102.99379	0.6
111.04530	0.9
113.02443	11.0
119.03495	6.7
125.02437	9.6
131.03523	0.6
133.05002	0.7
137.02429	0.7
139.03954	0.9
143.03510	3.0
149.04501	0.7
161.04555	4.6
179.05605	3.7
194.89281	0.6
221.06546	1.1
235.08203	9.3
253.09274	1.7
255.23276	71.2
256.23618	5.9
263.07864	0.8
287.07791	2.8
298.81390	0.6
304.08084	0.6
305.08749	3.9
323.09625	0.8
379.12567	0.9
397.13467	100.0
398.13821	8.8
415.14539	29.3
416.14722	2.4
653.37408	6.2
654.38025	1.1
686.16840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20351	0.5
54.04799	0.6
54.05952	0.6
54.58596	0.6
57.03432	1.6
58.00586	1.5
59.01379	28.8
61.33239	0.5
61.98808	2.3
69.03460	1.4
69.45674	4.8
71.01379	25.6
72.99300	1.7
73.02945	4.2
73.44624	0.6
81.03458	1.2
83.01379	2.8
85.02949	5.0
87.00867	5.8
89.02440	23.5
92.27135	0.6
94.99636	0.7
95.01396	1.8
97.02953	4.2
98.19915	1.4
99.00881	1.7
101.02441	17.3
109.02937	1.0
113.02456	9.1
119.03494	7.0
123.04498	0.6
125.02446	9.9
131.03531	1.0
139.48967	0.7
143.03491	3.8
161.04558	3.4
161.97412	0.7
167.73936	0.7
169.04909	0.7
179.05635	5.1
217.07028	0.8
221.06639	1.6
235.08195	10.4
253.09305	2.1
255.23285	69.5
256.23618	6.2
287.07706	3.4
305.08719	3.6
323.09851	1.2
369.49747	0.7
379.12195	0.9
397.13483	100.0
398.13788	8.3
415.14548	30.4
416.14850	2.2
604.38080	0.7
648.28833	0.7
653.37708	5.6
654.37329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98798	0.4
65.40288	0.2
85.02953	0.3
92.69397	0.2
110.83978	0.2
114.07919	0.2
125.02537	0.2
451.33185	0.3
643.85461	0.3
677.49432	2.1
678.49872	0.5
713.47314	100.0
714.47620	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
58.00568	0.7
59.01374	10.7
61.98827	13.8
67.01878	0.7
68.69923	0.4
68.99830	0.5
69.03442	1.2
69.15189	0.5
71.01377	44.4
71.61636	0.6
72.01694	0.6
72.99299	2.5
73.02940	3.8
73.63563	0.6
75.00864	2.0
79.95731	15.1
80.96511	44.0
83.01367	1.3
85.02441	1.0
85.02943	15.9
86.03260	0.6
87.00871	7.3
89.02443	1.4
93.03468	1.3
95.01385	3.0
96.96004	46.3
97.16372	0.5
99.00868	1.3
101.02463	2.3
103.00370	5.9
103.27969	0.5
109.02933	0.5
111.00864	0.9
111.88718	0.5
113.02441	27.7
114.02747	0.8
115.00368	39.4
116.00686	1.0
117.03478	2.2
119.03491	0.5
119.05003	0.7
120.01211	0.6
121.02901	1.6
122.97545	0.9
123.04465	0.5
125.02426	1.0
135.04494	1.2
137.02428	1.4
138.97069	11.0
145.02945	6.1
146.03625	0.6
149.02380	1.0
149.06041	0.6
157.01437	4.6
161.02505	0.6
162.97034	1.5
163.03993	1.3
164.04770	0.6
165.01859	0.9
165.05563	0.7
166.96532	6.8
174.97052	1.8
175.02460	59.8
176.02798	2.3
179.03455	1.1
179.07042	1.3
181.05005	1.4
192.98090	13.1
196.07327	0.6
209.04590	0.8
210.99168	2.8
221.06628	0.5
226.98582	0.6
236.97083	1.1
241.98677	0.5
254.98129	100.0
255.98416	3.6
267.07452	0.6
287.23367	0.5
289.07199	0.5
307.08255	3.1
328.73499	0.6
355.11786	0.6
359.15381	0.6
359.86505	0.5
368.27112	0.5
503.15988	0.6
505.17075	1.2
712.33752	0.6
715.33679	98.4
716.34094	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06886	0.2
50.53364	0.2
59.01373	2.3
61.98817	0.9
69.74779	0.9
69.75194	0.5
71.01377	1.7
73.02936	0.6
80.02650	0.3
81.03439	0.6
83.05020	1.4
84.70393	0.2
85.02956	0.6
87.00868	0.6
89.02439	1.3
95.04974	0.3
96.96009	0.3
101.02431	1.6
109.06558	0.7
113.02433	0.8
119.03460	0.3
120.60566	0.2
122.20270	0.2
125.09683	0.2
145.05045	0.3
161.04593	0.6
163.11259	1.5
165.12801	1.0
179.05602	0.3
183.13939	0.3
191.10768	0.5
207.10188	1.5
209.11804	100.0
210.12158	5.8
211.13354	3.5
212.13692	0.4
225.11330	1.0
227.12875	5.3
228.13081	0.3
235.08200	4.3
253.09218	4.2
254.09407	0.3
401.23074	0.5
445.20700	2.9
446.21155	0.4
471.05576	0.3
622.99091	0.3
637.32086	1.6
638.32391	0.4
641.82263	0.2
655.33539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82677	1.1
54.18520	1.0
56.32655	1.0
57.03436	1.1
59.01100	1.9
59.01376	26.2
61.98822	6.0
67.78471	1.0
69.03442	1.7
71.01373	9.5
71.59049	1.6
73.02969	1.8
81.03462	3.1
83.01362	1.9
83.05020	4.3
85.02936	2.4
87.00871	2.9
89.02422	4.3
95.05013	2.0
96.95994	5.9
97.02953	8.5
97.06588	2.7
97.95972	1.1
98.95619	1.6
99.00868	2.1
101.02451	7.9
107.05046	1.6
109.06577	40.9
110.03690	1.3
110.06910	2.2
113.02406	4.1
115.00341	2.0
121.06550	2.8
123.08144	1.4
125.02459	1.6
125.09749	8.8
135.08121	5.4
136.05280	1.5
138.86572	1.2
142.02692	2.6
145.05077	1.4
149.49438	1.1
151.72223	1.2
153.46939	1.1
161.04517	2.8
161.09698	1.8
162.24644	1.0
163.11270	17.7
164.11555	1.2
165.12724	1.5
175.02411	1.5
179.05516	1.7
181.12416	5.3
183.13910	7.8
185.11789	3.1
187.09726	3.3
189.09213	2.3
193.12337	2.2
197.11815	2.2
207.10236	93.4
208.10553	5.3
209.11784	6.3
211.13370	100.0
212.13719	5.0
223.13326	5.0
225.11307	46.5
226.11635	3.3
235.08113	5.5
243.12299	1.4
253.09206	13.9
254.98053	2.0
268.92953	1.2
273.17017	2.1
299.15036	1.7
309.20358	1.5
364.14838	1.4
373.23813	6.3
383.22281	8.9
391.24945	3.1
401.23291	15.3
402.23651	1.9
419.24292	5.1
426.41040	1.4
443.19141	3.9
447.22391	2.2
461.20264	15.3
462.20782	1.8
609.32727	6.9
610.32941	1.3
611.30817	1.5
619.31042	3.7
637.32208	46.8
638.32794	9.5
655.33252	48.1
656.33789	10.1
709.79309	1.3
715.38696	13.9
716.38641	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	715.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19394	2.6
57.03419	2.6
59.01377	15.6
61.65747	2.3
61.98830	100.0
69.29606	22.9
71.01386	13.8
87.00880	4.6
89.02437	10.2
96.60310	2.8
101.02429	9.6
113.02431	5.0
127.87585	2.4
135.35924	2.7
169.47995	3.1
217.84549	2.5
235.08128	4.3
255.23282	9.3
256.23581	4.9
277.21573	5.4
281.24835	24.1
282.25006	2.9
305.84735	2.8
373.40341	2.9
397.13501	54.1
398.13748	11.1
399.14185	5.8
415.14734	15.0
443.63531	2.9
639.53802	3.2
679.38916	7.9
715.36523	45.5
716.37329	8.3
721.24109	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	715.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
59.01376	4.5
59.98565	0.7
61.98821	1.4
64.25829	0.7
68.99562	7.6
69.03439	3.8
71.01380	6.3
71.04992	1.7
71.60225	1.2
73.02924	1.4
85.02959	1.1
87.00884	0.9
89.02409	2.3
95.01369	0.9
99.00850	0.8
101.02430	5.2
112.98568	7.4
113.02415	1.5
120.21689	0.7
125.09684	1.4
130.18961	0.9
142.99849	9.9
151.11244	2.6
153.12711	0.9
159.80325	0.7
161.04507	1.6
161.09805	3.7
179.10756	8.4
197.11812	35.9
198.12080	2.4
199.07422	0.7
209.11732	1.1
223.09593	1.5
241.10703	1.3
253.09296	2.0
255.23267	71.4
256.23627	5.1
701.33209	0.8
715.42664	100.0
716.42999	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	715.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46117	1.6
57.03452	1.6
59.01361	9.0
61.54367	1.6
71.01357	8.6
71.60218	1.6
72.99297	4.9
75.00862	12.9
81.03440	1.4
83.05045	1.6
85.02951	12.8
87.00908	3.7
89.02413	2.4
95.01382	2.7
99.00873	7.3
113.02437	14.0
113.17454	1.6
115.00321	1.7
163.11278	1.9
182.42305	1.5
182.74582	1.4
200.85658	1.5
209.11800	22.9
227.12820	2.1
249.06223	2.2
255.23235	55.8
256.23648	5.0
318.85886	1.8
386.94470	1.6
505.29922	3.1
518.01495	1.5
558.07715	1.6
600.58057	1.8
715.42651	100.0
716.42957	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	717.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
59.47456	0.4
61.98825	8.5
68.71242	0.4
71.01376	2.2
71.59399	0.9
72.99274	0.4
80.02666	1.4
81.03438	1.3
83.05009	4.4
87.00858	0.5
89.02445	1.5
89.44101	0.5
95.01409	0.5
101.02427	1.6
107.32242	0.4
113.02433	1.5
119.03473	0.5
120.18828	0.5
147.11816	0.7
150.22768	0.5
161.04601	0.5
163.11272	3.4
163.53928	0.4
165.12816	2.7
167.14401	0.4
181.12399	0.5
183.13904	3.9
191.10774	0.7
193.12390	0.6
194.12431	0.5
209.11804	100.0
210.12134	6.1
211.13371	67.1
212.13712	4.3
217.14279	0.5
227.12859	14.5
228.13144	0.8
235.08162	2.4
253.09277	7.1
271.15607	0.9
392.04437	0.5
392.24258	0.5
429.20938	1.0
445.20807	3.5
447.22275	3.4
471.74997	0.5
621.32538	1.2
629.75787	0.6
639.33917	1.2
717.36749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72921	1.0
59.01381	4.5
61.98818	1.9
62.15397	0.8
69.03446	0.8
71.01378	51.2
71.57864	0.8
72.01714	0.8
73.02936	2.4
75.26142	1.1
82.86799	0.8
83.01390	0.8
83.05018	1.0
85.02943	2.4
85.53460	0.9
87.00855	1.4
89.02425	1.4
97.02949	2.1
99.00883	1.9
101.02437	3.8
103.26003	0.8
109.06588	6.9
113.02423	1.4
120.98129	0.9
125.09668	0.9
161.04543	2.1
163.11267	4.8
165.35402	0.9
171.10274	9.8
181.12285	2.3
185.11774	1.6
196.19925	0.8
201.11302	6.5
207.10246	21.0
208.10559	1.8
209.11858	1.5
225.09198	1.4
225.11302	15.4
226.11615	1.2
226.44917	0.9
235.08211	6.1
243.12383	1.1
247.42796	0.8
253.09225	6.5
255.23277	100.0
256.23566	9.1
276.45016	0.9
277.09293	1.2
443.19299	1.9
461.20102	3.8
482.66531	0.9
655.02277	0.8
699.43170	7.6
700.43616	2.3
717.45117	4.3
718.44135	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98826	100.0
62.98536	0.2
69.98803	0.3
71.01392	0.1
78.95930	0.1
98.20587	0.1
101.02427	0.1
152.99562	0.1
154.76176	0.1
165.72868	0.1
197.11830	0.3
199.48944	0.1
209.11874	0.5
210.12030	0.2
211.13412	0.6
227.12860	0.2
229.26698	0.1
239.12906	0.1
255.23262	0.2
378.36935	0.1
539.61011	0.1
577.23749	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11965	0.1
50.57903	0.1
53.26693	0.1
56.66608	0.1
59.01376	0.6
61.98825	100.0
62.98526	0.2
71.01398	0.1
72.78637	0.1
78.95911	0.4
82.73079	0.1
84.70186	0.1
96.95982	0.2
143.68602	0.1
197.11972	0.3
198.72742	0.1
209.11934	0.2
211.13348	0.6
229.51353	0.2
255.23241	0.1
270.56516	0.1
296.33267	0.1
387.65442	0.1
718.39636	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	719.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34300	0.8
59.01377	6.7
61.45148	0.7
66.63743	0.7
68.99031	0.8
71.01383	4.7
89.02441	7.7
98.19859	2.1
99.82920	1.0
101.02430	3.1
113.02426	2.5
119.03485	2.8
134.16995	0.8
135.29506	0.8
141.04286	0.9
156.43315	0.9
161.04536	1.3
179.05586	3.3
184.00366	0.9
197.02338	0.8
215.03212	4.8
240.81284	1.0
259.49994	0.9
341.10834	20.9
342.10968	1.2
377.08517	100.0
378.08850	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	719.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37190	0.6
59.01385	5.5
61.24869	0.6
71.01376	6.4
71.59983	1.1
85.02940	0.8
87.00886	0.8
89.02446	9.4
96.96008	5.0
97.02110	0.6
101.02449	2.8
102.16706	0.7
113.02432	2.5
119.03485	4.0
131.45708	0.6
143.03488	1.3
146.52074	0.7
160.84567	0.6
161.04556	1.3
179.05606	4.4
197.02106	0.8
215.03339	4.2
341.10873	20.5
342.11304	1.6
351.06998	0.8
369.07693	0.8
377.08542	100.0
378.08835	6.7
394.52115	0.7
439.01953	0.7
554.08551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01375	9.0
61.98822	10.1
66.41559	0.7
66.91008	0.7
69.03429	1.0
71.01375	8.8
72.99290	0.8
73.02934	2.1
75.00859	1.2
76.26521	0.7
79.95716	1.7
80.02674	2.3
80.96488	3.6
81.03451	2.8
83.01374	1.8
83.05016	9.0
84.02145	1.9
85.02969	3.9
87.00873	2.9
88.91958	0.6
89.02416	4.8
93.03460	1.0
95.01369	1.4
95.05032	1.2
96.96004	7.0
97.06571	1.2
98.20719	1.8
99.00857	1.3
101.02430	9.1
101.06109	0.7
111.04455	0.8
113.02444	3.9
115.76670	0.9
119.03515	0.8
125.02390	1.1
135.08101	0.9
143.03503	0.9
151.11282	2.1
153.12805	2.0
161.04521	2.8
163.11284	7.8
164.98698	1.6
165.12859	3.1
169.12328	48.8
170.12677	2.7
179.05606	1.5
179.10774	1.8
181.12325	1.9
191.10789	1.6
197.11813	92.6
198.12187	5.8
198.44888	0.7
209.11806	100.0
210.12114	6.5
225.00661	1.6
227.12903	7.7
235.08237	1.5
241.10738	1.3
243.56364	0.9
253.09325	6.0
275.01874	1.1
300.99927	1.7
390.02164	3.3
390.52573	3.1
433.20923	1.0
505.51135	0.8
590.60345	0.9
687.19830	1.6
687.23138	1.3
687.32245	88.0
688.32703	16.4
719.35046	96.9
720.35535	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03445	0.9
59.01377	6.9
61.98827	12.7
67.02596	0.4
69.03452	4.1
69.40320	3.2
71.01379	5.4
71.05013	1.5
72.99258	0.6
73.02938	1.7
79.95749	0.5
80.02648	1.2
80.96498	2.2
81.03447	1.5
83.01385	1.2
83.05029	5.3
84.02145	1.4
85.02934	1.9
87.00877	1.6
89.02438	2.8
93.03487	0.6
94.87119	0.5
94.98035	0.6
95.05011	1.2
96.96026	2.4
97.02946	0.8
97.06600	0.6
98.20674	1.1
101.02436	5.3
109.06610	0.5
111.08137	0.5
113.02449	2.7
114.18890	0.5
119.03499	0.7
123.08131	1.6
125.02455	0.6
125.09734	2.8
135.08156	1.0
137.02335	0.8
151.11275	2.3
153.12796	1.7
161.04529	1.3
161.09718	4.0
163.11281	4.7
164.98636	0.5
165.12810	2.1
179.10773	8.0
180.11064	0.7
181.12262	0.6
191.10803	0.8
197.11812	65.7
198.12160	4.8
209.11809	67.7
210.12115	4.1
211.13438	0.5
223.09746	1.2
225.00711	0.7
227.12819	4.3
241.10742	4.0
253.09207	3.1
275.02325	0.8
300.99896	0.9
390.02127	1.5
390.52576	0.7
391.02975	0.9
459.18573	0.5
477.19824	1.5
538.65497	0.5
671.19867	0.6
687.32251	100.0
688.32617	20.0
716.61804	0.5
719.35028	28.4
720.35461	6.2
732.97272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23693	0.3
55.01886	0.6
57.03432	0.4
57.72809	0.3
59.01376	100.0
60.01719	1.1
61.98827	54.6
68.99821	0.5
70.87417	0.6
70.87762	0.8
71.01382	6.3
73.02936	2.4
75.00879	0.4
78.95863	0.4
80.96513	1.2
81.68035	0.3
83.01362	0.8
85.02935	3.2
87.00838	0.4
89.02435	0.5
94.98100	0.6
95.01359	0.5
96.96011	0.8
99.00848	0.7
101.02438	4.0
113.02443	2.8
125.02443	0.4
125.13652	0.3
159.02902	0.6
161.04544	3.7
169.12317	0.5
209.11771	1.9
211.13252	1.2
212.13605	0.5
227.12869	0.4
253.09177	0.3
273.16946	0.6
314.63297	0.4
352.29050	0.4
408.48395	0.4
559.39893	3.0
567.53461	0.3
589.41064	13.0
590.41315	3.2
631.42059	5.6
632.41589	1.4
633.40106	1.6
651.29480	0.5
659.31763	0.4
675.41071	17.0
676.41412	3.8
719.28314	1.2
719.40570	1.9
720.27979	0.7
720.39349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56976	0.1
57.24271	0.1
59.01382	0.5
61.98825	100.0
67.38062	0.1
71.58699	0.2
72.26229	0.1
119.97062	0.1
202.01266	0.1
209.11848	0.2
210.12312	0.1
211.13449	0.2
235.94084	0.1
260.12372	0.1
450.52066	0.1
455.27023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01376	1.8
60.05099	0.2
61.98816	0.4
63.96242	1.6
69.03445	0.6
69.57632	1.5
71.01378	8.2
72.99293	0.4
73.02952	1.8
75.00899	0.2
75.27078	0.2
78.95897	0.7
78.98591	5.9
79.95733	12.9
80.96513	72.3
81.03445	0.9
83.01374	0.4
83.05027	0.4
85.02943	2.8
87.00873	2.4
94.98083	15.8
95.01374	0.5
96.95995	1.9
97.02943	1.6
99.00887	0.9
99.04519	0.3
101.02438	2.8
106.98084	2.8
109.03004	0.3
109.06582	0.3
113.02407	0.4
117.06994	0.3
122.97575	3.4
125.02450	3.2
127.04037	0.7
134.97578	4.3
136.99144	1.7
143.03551	0.3
145.70091	0.2
146.97504	0.3
148.99129	6.0
152.98627	5.9
152.99664	0.3
161.04492	0.3
163.11232	0.3
164.98610	12.7
165.98900	0.4
167.00195	0.6
171.10066	0.3
179.00174	0.2
182.99594	0.3
183.13936	0.4
188.98671	0.5
206.99670	3.2
207.10313	0.3
209.11813	2.5
211.13376	1.8
225.00714	23.4
226.01085	1.2
283.04984	0.4
322.45596	0.2
493.17468	1.8
494.17984	0.3
509.16980	2.5
601.37793	0.2
721.31018	100.0
722.31384	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01708	0.7
61.98830	11.8
63.99243	0.3
69.25492	2.7
71.01380	4.0
73.02963	0.3
83.01355	0.3
83.05046	0.3
85.02944	0.4
89.02449	0.9
95.01328	0.3
96.95994	0.4
97.02938	0.4
99.00907	0.3
101.02448	1.2
109.06580	2.4
113.02460	1.1
121.06551	0.3
125.09740	0.3
131.25113	0.3
161.04578	0.5
163.11273	1.3
165.66223	0.3
167.10747	0.5
170.11935	0.3
171.10260	0.5
177.12953	0.3
179.14548	0.3
181.12346	0.3
195.13841	1.6
201.11320	0.3
205.12331	1.7
207.10272	7.3
208.10692	0.4
209.11821	1.4
223.13382	15.6
224.13731	1.3
225.11293	4.7
226.11714	0.4
235.08295	1.0
253.09322	2.0
255.23434	0.4
321.40506	0.3
351.23465	0.3
395.22360	0.8
406.16473	0.3
413.23569	1.1
431.24326	0.6
443.18854	0.4
459.22476	0.7
461.20377	1.1
590.04590	0.3
617.40594	0.5
649.32507	1.0
650.32678	0.5
667.33142	2.1
668.34479	1.2
677.40704	0.4
721.45923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02214	1.1
59.01379	17.0
61.98829	23.3
64.83562	1.1
68.32413	1.0
71.01379	97.8
72.01690	1.1
73.02938	3.1
78.98587	1.2
79.95739	2.7
80.02663	1.8
80.96521	12.3
81.03444	2.4
83.05014	7.1
84.02166	1.3
85.02951	3.1
87.00861	2.8
88.88868	1.0
88.98805	1.7
89.02444	4.5
94.98085	2.3
95.04991	1.3
96.95995	3.7
97.02940	3.2
99.00867	3.2
101.02442	6.5
101.41441	1.0
102.45218	1.0
103.90596	1.0
109.06583	13.0
113.02432	3.6
119.03483	1.0
123.08126	1.2
125.02420	1.6
125.09692	2.4
135.08153	2.6
139.07555	1.2
140.42880	0.9
142.02699	1.1
148.99147	1.2
161.04559	3.4
161.09642	1.4
163.11290	14.6
164.98595	1.7
165.12836	2.3
167.03514	1.3
171.05153	1.0
171.10257	16.5
181.12308	4.7
185.11784	1.3
189.09274	1.4
191.10730	1.1
197.11790	1.6
199.09738	1.2
199.13350	1.8
201.11281	7.3
207.10249	32.8
209.11810	100.0
210.12140	12.5
211.12442	1.4
225.00734	3.4
225.11305	24.9
227.12863	9.5
235.08263	3.2
243.12398	2.1
249.11258	1.2
253.09245	11.8
254.09677	1.4
263.25504	1.2
273.17059	9.8
274.17395	6.3
275.17603	4.1
279.23300	1.2
388.87601	1.1
399.21576	2.4
417.22946	2.9
440.28806	1.2
461.20282	9.8
509.54321	1.1
635.30579	2.5
653.31543	3.1
671.32593	5.1
672.33374	2.0
689.33521	4.8
721.29584	10.6
722.31470	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	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02244	1.0
57.03453	1.6
59.01376	16.5
61.98822	13.8
65.03974	0.8
67.40927	1.0
69.50175	0.9
71.01377	73.7
72.15672	1.0
72.99323	1.5
73.02947	3.6
75.00878	1.7
78.98578	1.9
79.95345	0.9
79.95734	5.8
80.02673	2.3
80.96512	20.4
81.03458	3.5
83.01367	2.1
83.05025	6.9
84.02141	1.5
84.65984	0.9
85.02929	4.8
87.00893	3.3
88.98820	1.0
89.02443	4.0
94.98084	4.7
95.05032	1.3
96.96005	3.0
97.02968	4.5
99.00867	3.9
101.02448	6.5
107.05058	1.2
109.03004	1.2
109.06582	14.3
110.03716	1.3
110.53911	0.9
113.02475	3.9
119.03488	1.8
122.97549	1.4
125.02423	2.0
125.09706	2.4
135.08156	2.6
148.99153	2.3
152.98590	2.0
161.04602	2.0
161.09761	1.4
163.11272	12.9
164.98642	4.8
165.12837	2.6
171.10251	20.0
172.10754	1.3
179.71513	0.9
181.12343	6.4
185.11888	2.7
189.09238	1.5
199.09746	1.7
199.13292	2.3
201.11304	9.2
206.99640	1.5
207.10242	36.5
209.11812	100.0
210.12146	8.1
211.13393	1.3
225.00703	7.1
225.11298	31.1
226.11641	2.0
227.12856	12.3
229.24025	1.0
235.08153	3.0
243.12326	3.1
251.61786	0.9
253.09241	11.5
268.07169	0.9
273.17160	1.1
311.34341	1.2
399.21667	2.5
417.22580	2.1
443.18509	1.0
461.20007	7.4
476.80966	1.0
635.30975	2.3
653.31848	4.3
671.33014	5.0
672.33234	2.1
685.41772	1.5
689.33722	2.2
721.29736	24.9
722.30450	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	721.364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58893	0.9
56.96728	0.9
57.03430	2.7
59.01375	14.7
60.58842	1.0
61.98825	22.8
68.99554	1.2
69.03432	1.0
70.74860	2.6
71.01376	10.4
71.05009	3.0
72.99297	2.4
75.00861	1.4
79.95715	1.7
80.02690	1.2
80.96500	3.6
81.03436	1.7
83.01367	1.6
83.05007	4.1
84.02151	1.1
85.02948	4.0
87.00866	2.7
88.98763	1.1
89.02423	4.5
94.98020	1.1
95.01387	1.9
96.96004	14.3
97.02924	3.7
97.06555	2.8
99.00874	17.2
101.02448	6.4
109.06573	1.5
113.02415	6.0
117.97325	1.0
123.04464	1.5
123.08119	2.3
125.02443	2.4
125.09712	7.0
137.02426	1.7
142.02611	1.0
143.03641	0.9
145.02960	1.0
151.00374	1.2
155.10759	1.4
158.89651	0.9
161.04480	1.6
161.09799	1.2
163.11273	12.7
165.12810	2.1
169.01392	1.4
171.10226	4.4
179.05428	1.1
181.12312	18.4
197.11794	1.8
199.13396	10.5
207.10231	25.7
208.10519	1.2
209.11809	43.1
210.12093	3.5
225.11296	34.7
226.11647	2.3
227.12802	5.4
243.12320	21.4
244.12680	1.3
253.09219	2.8
324.26062	1.1
337.24478	1.3
428.29843	1.1
453.29642	1.0
461.20135	2.1
479.21274	5.3
671.32574	2.6
689.33813	100.0
690.34406	21.6
721.30432	5.2
721.36841	7.7
722.37842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97214	0.6
59.01376	55.7
60.01688	0.7
61.98826	100.0
62.98545	0.7
68.74669	0.7
69.21299	0.6
71.01379	4.0
73.02956	1.4
78.91878	1.1
78.95915	3.5
80.96523	1.4
83.01410	0.8
85.02958	2.6
89.02431	0.8
96.96030	1.9
101.02442	2.5
113.02453	2.0
152.72137	0.7
158.43445	0.7
161.04626	0.8
171.10146	0.9
209.11868	1.7
211.13475	1.5
225.11226	1.0
361.11591	0.7
457.33289	2.4
473.36334	2.6
617.40381	3.9
618.40735	1.4
619.38617	1.3
635.41602	5.6
636.41956	1.2
661.39996	1.2
667.33441	1.1
677.42664	48.8
678.43036	11.6
721.30084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Antanapeptin D
Peak:m/z	Relative Intensity
55.01871	0.5
57.03447	0.3
59.01376	12.3
61.51996	0.3
66.35768	0.3
67.05514	0.3
69.03473	0.6
69.71648	1.6
71.01373	6.2
72.99291	0.6
73.02946	1.3
80.02682	1.3
81.03453	2.8
82.03751	0.3
83.01379	0.9
83.05022	3.0
84.02120	0.3
85.02952	1.8
87.00874	1.4
88.86462	0.2
89.01905	0.4
89.02434	3.4
93.03464	0.6
95.01380	0.4
95.05020	0.9
97.02949	6.2
99.00882	1.4
100.03407	0.2
101.02435	6.0
106.04220	0.4
107.05019	1.1
109.06585	35.6
110.03733	1.4
110.06945	1.4
111.00918	0.4
111.04536	0.6
113.02446	2.6
119.03459	1.0
121.06583	2.3
121.17781	0.2
121.69166	0.2
123.04504	0.7
125.06049	0.3
125.09733	0.7
133.05066	0.5
133.06531	0.3
135.08154	4.1
136.05316	1.8
137.06122	0.3
142.02747	1.9
143.03535	0.6
145.05057	0.4
145.10237	0.4
161.04584	1.9
161.09674	1.8
163.11278	19.1
164.11613	1.1
165.09195	0.5
179.05566	1.0
179.10770	0.6
181.12334	4.2
182.12680	0.4
189.09183	3.2
190.09666	0.3
207.10245	100.0
208.10587	6.3
209.11786	1.6
225.11304	38.4
226.11653	2.4
231.77203	0.3
235.08215	3.0
239.12712	0.2
243.12442	0.8
253.09261	13.7
254.09610	0.5
255.23355	0.3
256.23566	0.3
259.20508	0.6
274.29227	0.3
275.20029	0.3
277.21695	76.7
278.22049	7.5
281.13919	0.8
299.15033	1.5
423.32599	0.7
441.34048	1.8
442.34106	0.4
443.19144	5.1
444.19656	0.7
461.20258	13.4
462.20462	1.5
467.31567	0.7
485.32761	1.2
513.29547	0.3
515.04089	0.3
544.44946	0.3
559.36011	0.7
703.40570	0.8
704.40015	0.3
721.41595	34.0
722.42029	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03435	0.5
59.01373	8.4
60.19902	0.2
69.03453	0.5
71.01370	5.5
71.60210	0.4
72.99300	0.3
73.02937	1.5
75.00861	0.3
80.02685	0.6
81.03441	1.5
83.01376	0.7
83.05035	1.3
85.02946	1.9
87.00877	1.2
88.98786	0.3
89.02447	2.5
93.03426	0.3
95.01369	0.5
95.05021	0.9
96.95538	0.3
97.02941	5.2
97.06596	0.3
97.43855	0.3
99.00873	1.3
101.02437	4.5
106.04205	0.3
107.05010	0.4
109.06583	16.3
110.03741	1.0
110.06914	0.8
111.00866	0.3
111.04530	0.5
113.02451	2.2
119.03497	0.7
121.06578	1.0
121.16021	0.2
123.04512	0.6
125.09644	0.3
127.07616	0.3
133.05057	0.2
135.08151	2.4
136.05289	0.9
141.73840	0.3
142.02695	1.1
142.93936	0.3
143.03403	0.3
145.05042	0.8
145.10226	0.5
161.04527	1.6
161.09703	1.2
163.11272	11.4
164.11620	0.4
168.21051	0.3
179.05598	0.7
179.10747	0.4
181.12331	1.8
182.06773	0.3
189.09207	2.8
207.10240	57.9
208.10568	4.1
209.11763	1.3
225.11299	26.3
226.11627	1.7
235.08156	5.6
243.12427	0.4
253.09271	12.1
254.09738	0.6
256.23624	0.4
275.20059	0.4
277.21692	100.0
278.22055	10.3
281.13791	0.5
284.52545	0.3
299.15045	0.7
425.18146	0.3
441.33734	0.8
443.19122	3.0
444.19266	0.5
461.20306	6.5
462.21069	0.4
467.31174	0.4
485.32596	0.6
513.30164	0.4
697.92932	0.3
703.41040	1.2
721.41602	27.0
722.42041	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	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01947	0.5
51.34664	0.5
55.01873	1.0
57.03451	1.3
59.01374	89.7
60.01716	1.0
61.98825	12.1
67.48266	0.5
70.73021	1.5
71.01368	10.2
72.99297	1.3
73.02949	4.2
78.95908	1.5
83.01386	2.5
85.02937	6.0
87.00887	1.8
89.02451	1.8
95.01415	1.0
96.96033	0.7
97.02930	1.0
99.00883	1.4
101.02429	7.6
113.02424	5.2
119.03461	0.8
143.03522	1.0
152.99599	0.7
161.04561	1.2
180.98607	0.6
192.21686	0.6
198.42851	0.6
207.10278	0.9
209.11844	2.5
427.32193	1.3
443.35468	1.4
457.33206	5.3
473.36395	7.9
474.36591	1.3
601.37457	2.3
605.41229	1.0
617.40466	32.4
618.40887	6.8
619.38678	1.9
635.41547	19.6
636.42072	3.6
677.42633	100.0
678.42981	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99558	0.1
59.01375	100.0
60.01704	0.8
60.67273	0.1
61.98825	6.5
68.79525	0.1
69.28919	0.1
71.01364	0.7
73.02927	0.3
74.28524	0.1
78.95908	0.4
80.96530	0.2
81.85780	0.1
83.87059	0.1
85.02954	0.3
96.96021	0.4
101.02454	0.4
111.43415	0.1
113.02457	0.3
118.91402	0.1
120.42239	0.1
154.55785	0.1
161.04715	0.2
196.49878	0.1
207.10178	0.2
209.11948	0.2
223.13588	0.2
619.42346	0.5
721.31592	0.3
721.45551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21099	0.2
59.01376	100.0
60.01710	1.2
61.98826	5.5
62.89434	0.2
63.48119	0.2
63.99256	0.2
69.03458	0.2
70.72688	0.1
71.01372	2.1
72.41671	0.1
73.02935	0.4
78.91871	0.3
78.95889	0.3
83.05025	0.3
85.02956	0.3
87.00881	0.2
89.02448	0.5
96.96011	0.3
97.02992	0.3
101.02457	0.8
109.06588	1.1
113.02431	0.4
160.25420	0.2
161.04568	0.3
162.77298	0.2
163.11324	0.6
167.10759	0.3
171.10251	0.3
179.14349	0.3
180.03340	0.2
181.12361	0.3
195.13835	0.9
205.12328	0.9
207.10240	3.3
208.10634	0.4
209.11836	0.9
223.13373	7.5
224.13753	0.8
225.11327	2.2
235.08185	0.5
253.09232	1.0
297.40808	0.2
330.10175	0.2
395.22498	0.4
413.23328	0.6
431.24442	0.4
459.22504	0.3
461.20419	0.6
619.42285	0.5
627.01678	0.2
649.32330	0.5
650.32312	0.2
667.33527	1.1
668.34088	0.7
721.32721	0.3
721.45575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69933	0.6
52.74732	0.6
54.73941	0.6
57.03429	2.8
58.00550	0.6
58.59078	0.6
59.01377	19.6
59.09525	0.6
64.37921	0.6
66.02003	0.8
67.01895	1.2
68.99807	2.2
69.03438	1.5
71.01377	23.2
71.59300	1.2
72.99306	6.5
73.02936	2.4
75.00867	14.7
79.95745	1.6
81.03422	0.8
83.01370	1.6
85.02946	21.7
86.03268	0.6
87.00865	8.2
89.02446	5.2
91.03989	1.3
93.03424	1.3
95.01390	4.5
96.96014	15.1
98.77184	0.7
98.95602	0.9
99.00880	10.9
101.02442	1.8
103.00377	2.0
109.02941	1.1
111.00881	1.5
111.04441	0.7
113.02444	24.8
114.02741	0.9
115.00331	2.6
117.01914	2.3
119.03468	0.9
125.02443	2.2
129.01924	1.9
131.03531	0.7
133.10199	0.8
135.11763	2.1
139.00298	0.7
144.05771	1.2
149.02510	0.8
157.01424	0.7
159.08139	5.4
161.09714	11.0
162.10010	0.9
168.14621	0.7
175.02446	1.0
179.10760	16.3
180.11096	0.9
196.47668	0.6
203.98984	0.7
205.07022	1.4
205.08701	1.0
207.05049	0.7
223.09750	0.9
229.04953	0.7
231.05042	0.8
232.13832	0.6
243.96780	1.6
249.03738	1.2
249.06149	12.0
250.06461	0.6
267.02670	0.8
267.07181	19.4
268.07315	0.8
271.06100	0.8
289.07101	1.4
290.86026	0.7
291.12711	10.0
292.12875	1.5
293.12820	0.8
297.13428	0.7
314.11612	1.2
321.67792	0.6
329.14066	1.7
375.19836	0.9
411.16592	1.2
455.15433	2.0
473.16400	2.0
475.19647	0.9
516.89520	0.8
547.20306	5.9
637.24817	1.8
685.25745	1.4
687.28534	1.7
705.22516	1.8
723.23462	100.0
724.23828	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	723.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
57.03434	3.3
59.01102	1.0
59.01375	13.4
67.01876	1.0
67.42453	0.6
68.99802	1.3
69.03444	1.5
71.01001	1.1
71.01378	19.3
72.99310	5.0
73.02940	2.1
75.00458	0.8
75.00866	12.8
79.95732	4.4
81.03452	0.9
83.01374	1.4
83.05012	0.8
85.02943	17.5
86.03269	0.8
87.00871	7.8
89.02436	4.0
91.03959	1.0
93.03432	1.7
95.01388	4.6
96.96017	3.2
99.00256	0.8
99.00875	9.5
101.02419	2.4
103.00359	1.7
109.02959	1.3
109.17780	0.7
111.00839	1.0
113.01707	1.2
113.02444	20.3
115.00392	3.3
117.01917	2.3
118.39587	0.5
120.74380	0.5
120.99632	0.8
123.04482	0.8
125.02423	1.6
127.04011	0.7
129.01901	2.0
135.11792	3.7
135.98372	0.6
137.02426	1.6
143.08704	0.5
145.02898	1.0
157.01462	1.1
159.08057	0.7
161.02393	1.6
161.09709	5.6
169.01433	0.6
173.11789	2.2
175.02411	1.5
179.10774	11.1
196.47812	3.5
203.98967	1.7
205.07001	1.0
207.05081	0.9
223.09775	1.0
231.04997	1.5
243.96832	4.6
244.46931	1.8
249.06113	10.6
267.07193	14.1
271.06055	1.8
285.07605	0.9
289.07129	2.0
301.10632	0.7
312.99829	1.2
314.00461	0.7
328.02356	0.6
328.06821	0.6
335.17075	14.1
336.17242	1.1
390.81073	0.7
418.77460	0.6
433.08984	0.7
466.48218	0.6
473.16101	1.1
547.20245	4.8
571.11713	0.7
643.13519	0.7
661.23242	0.9
705.22498	1.1
723.23517	100.0
724.23859	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	723.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74482	0.3
59.01376	1.2
61.49347	0.3
67.58463	0.3
70.47211	0.4
70.47590	1.0
71.01382	1.4
72.00898	1.1
72.04549	0.4
86.02479	0.5
87.00892	0.6
89.02445	0.9
92.05064	1.3
96.96019	1.0
99.68729	0.3
100.04058	1.2
101.02445	0.5
113.02433	0.5
116.05072	1.2
120.04566	0.7
122.47245	0.3
128.05103	0.5
130.06657	0.5
131.03763	1.0
132.04550	3.9
137.02469	0.3
140.88901	0.3
142.06609	0.9
143.06142	1.1
144.04533	3.7
145.04065	0.5
145.05225	0.7
154.06616	0.8
156.06950	2.5
157.05299	0.6
157.07697	3.8
158.04912	0.4
158.06084	1.9
159.05620	1.2
160.04022	5.7
161.04533	0.4
162.05602	0.4
167.06139	5.6
168.06523	0.4
169.07701	2.6
170.06100	1.1
171.09280	5.8
172.03990	0.7
173.03526	0.3
173.07201	7.0
174.07632	0.5
176.07094	0.6
179.05995	0.3
180.06909	0.8
181.07706	33.9
182.06078	1.4
182.08034	2.5
187.08740	1.3
188.05852	1.8
189.10368	0.4
197.07199	2.4
199.08755	24.2
200.09045	1.3
201.06668	2.8
202.05109	0.4
213.06635	0.7
214.06856	0.3
217.09816	1.8
219.07834	0.8
223.08742	0.6
225.06857	0.3
226.05031	2.9
243.07724	19.8
244.08034	1.7
261.08777	46.7
262.09122	3.7
273.08786	1.2
291.09930	0.6
300.99887	0.5
337.13925	0.4
341.10846	0.3
363.12018	2.3
381.12994	100.0
382.13391	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	723.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	59.6
58.03789	1.0
58.07142	0.4
59.01371	3.7
61.98825	4.7
67.01877	0.5
70.12849	0.8
70.13258	1.4
71.01387	1.9
73.02933	0.7
75.00879	0.4
79.95720	0.7
81.03460	1.3
83.01373	0.7
84.87280	0.4
85.02956	1.1
87.00897	0.7
93.03423	0.5
95.01392	0.7
96.96001	11.0
98.95598	0.5
99.04514	25.6
100.04827	0.5
101.02438	11.8
101.09176	0.4
108.02174	0.4
109.02964	1.3
111.00950	0.5
113.02438	0.9
121.02939	0.8
123.00867	1.7
123.04471	0.6
125.02438	13.8
125.09818	0.4
137.02428	6.4
143.03481	0.5
149.02406	1.2
150.03250	0.7
151.00357	11.8
151.04010	1.1
152.01131	1.6
152.04776	1.5
163.04118	0.5
165.01866	0.9
166.02705	42.3
167.03256	3.2
175.03975	1.0
177.01952	2.2
177.05556	0.5
181.05058	58.0
182.05347	3.2
184.03783	0.6
190.06429	0.8
191.03523	0.9
192.04308	0.9
193.05046	0.7
205.08754	0.9
207.06558	0.9
219.06720	0.6
269.65024	0.5
289.07205	0.6
289.11078	0.6
326.81137	0.4
359.11325	1.5
371.15045	0.6
372.12332	0.6
387.10681	8.2
387.14566	0.8
388.11139	1.1
396.68442	0.5
402.13095	6.5
403.13800	1.5
417.15515	100.0
418.15842	12.4
549.60956	0.5
561.19556	0.9
723.22906	2.9
723.34937	0.6
724.23071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14891	0.1
59.01374	0.3
65.11629	0.1
68.01712	0.1
69.49760	0.2
69.50164	0.6
74.08268	0.1
79.95718	2.0
79.96133	0.2
88.40154	0.1
89.02469	0.1
95.94752	0.1
95.95265	0.5
96.96003	65.8
97.95917	0.4
106.72819	0.1
123.04476	0.1
124.19886	0.1
182.43469	0.1
186.62517	0.1
187.33553	0.1
243.96687	0.2
275.09561	0.2
289.07236	0.3
289.11093	0.4
307.12167	100.0
308.12497	8.2
308.16156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03836	2.8
55.28100	2.5
58.71899	2.8
59.01378	80.4
60.87230	3.0
61.98828	77.9
63.67434	2.7
70.78294	2.9
70.78625	6.4
71.01385	27.8
72.99295	3.4
73.02961	5.6
78.95908	4.0
80.96510	4.4
81.03451	4.4
83.01382	4.1
83.05026	4.0
85.02946	4.9
89.02453	8.6
96.95991	10.4
97.02936	5.5
98.83143	3.0
99.00829	2.9
101.02439	10.0
109.06588	40.4
111.16109	2.8
113.02417	7.4
118.04887	3.0
119.03528	3.0
121.06541	3.1
125.02500	3.5
125.09708	6.9
135.08144	3.1
145.93747	3.2
161.04546	4.3
161.09734	3.6
163.11299	19.7
165.67136	2.9
169.55632	3.3
171.10239	6.1
181.12321	6.5
181.26331	3.4
189.09203	3.4
197.11810	4.4
207.10252	100.0
208.10526	4.9
209.11832	33.5
211.13580	3.9
223.09692	6.0
223.13338	5.8
225.11311	60.8
226.11658	8.7
227.12840	8.9
235.08197	6.6
253.09369	15.6
304.56219	3.0
378.56213	3.4
389.19745	4.1
415.21017	7.1
434.21960	3.8
443.19260	3.1
461.20264	24.1
581.05377	2.9
625.28735	9.2
633.30133	3.5
651.30182	22.9
652.30975	4.6
669.31152	15.8
670.32892	4.4
723.34210	12.1
724.32135	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	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09329	0.1
55.01880	0.2
57.03445	0.1
58.00603	0.1
59.01377	2.7
64.50800	0.1
69.99065	0.2
69.99476	0.2
71.01376	2.2
71.04996	0.1
72.99306	0.2
73.02942	0.4
79.46746	0.1
80.02674	1.0
81.03452	1.0
83.01376	0.5
83.05021	4.2
84.02166	0.6
84.05357	0.1
85.02943	0.5
87.00889	0.3
89.02441	2.0
93.03468	0.2
95.01367	0.1
95.05003	0.6
97.02949	0.2
97.06622	0.1
99.00889	0.1
101.02433	1.8
109.06593	0.3
111.08150	0.1
113.02436	1.2
119.03489	0.4
125.02436	0.1
125.06069	0.4
125.09752	0.1
127.07622	0.1
133.05064	0.1
135.08176	0.4
139.03972	0.1
143.03519	0.3
145.05017	0.1
147.11800	0.3
158.32822	0.1
161.04529	0.8
163.11279	3.3
164.11604	0.3
165.12834	2.2
166.13138	0.2
179.05511	0.6
181.12315	0.5
191.10788	1.0
197.11906	0.1
209.11804	100.0
210.10011	0.1
210.12138	6.8
227.12865	10.3
228.13124	0.7
233.22783	0.1
235.08171	1.2
251.12898	0.1
253.09254	7.3
254.09564	0.2
259.20578	0.2
275.20050	0.1
277.21689	47.1
278.22043	5.2
278.25266	0.1
422.27368	0.1
430.32047	0.1
445.20673	1.1
446.20898	0.1
463.21698	0.2
723.43457	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.20621	0.2
57.03443	0.3
57.83207	0.2
59.01373	3.7
71.01373	3.0
71.36276	0.3
73.02920	0.9
75.71863	0.2
80.02679	0.7
80.31174	0.2
81.03443	0.8
83.01396	0.4
83.05023	3.2
84.02161	0.5
85.02945	0.7
87.00864	0.9
87.73332	0.2
88.21698	0.2
89.02435	1.8
95.01398	0.4
95.04990	0.5
97.02925	0.3
97.06619	0.2
99.00874	0.3
99.04536	0.2
101.02433	2.8
109.06613	0.2
112.01091	0.2
113.02463	1.5
119.03498	0.5
125.02402	0.3
125.06071	0.6
125.09664	0.2
133.05066	0.2
133.21974	0.1
134.96512	0.2
135.08147	0.4
143.03485	0.3
145.05035	0.6
161.04527	1.0
163.11275	2.5
165.12831	1.6
176.17027	0.2
181.12436	0.3
191.10725	0.6
209.11804	74.7
210.12158	4.9
227.12863	8.2
227.15128	0.4
228.13170	0.8
233.22673	0.4
235.08203	5.3
236.08530	0.4
253.09259	8.9
254.09541	0.5
259.20612	0.6
275.20123	0.2
277.21689	100.0
278.22040	10.4
445.20871	0.3
473.15564	0.2
513.30627	0.3
725.54260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11126	0.5
58.00586	1.3
59.01374	10.0
61.98821	0.7
64.09836	0.6
71.01376	6.3
72.99327	0.9
73.02935	1.4
75.00854	0.6
79.08515	0.5
81.03481	0.9
83.01405	1.0
83.05035	4.0
84.02163	1.2
85.02966	1.6
87.00880	1.9
89.02431	4.8
95.05040	0.9
98.20636	1.6
99.00846	0.8
101.02428	5.9
109.06596	1.0
113.02437	3.3
119.03505	1.1
125.02463	0.8
135.08145	0.8
143.03537	0.9
147.76294	0.5
161.04538	2.1
163.11278	3.7
165.12839	3.9
179.05594	1.3
181.12303	1.4
183.13910	3.9
191.10774	1.0
195.13907	2.1
199.13380	15.2
200.13715	1.0
207.10173	1.1
209.11819	91.6
210.12148	6.4
211.13380	42.7
212.13754	3.2
223.13374	1.1
225.11191	1.2
226.11731	1.2
227.12875	60.2
228.13170	2.9
229.14308	0.6
229.39575	1.0
235.08253	5.9
240.11931	0.7
245.13904	1.2
253.09264	16.5
271.76810	0.6
275.20157	2.0
277.21695	100.0
278.22055	10.0
293.21198	25.6
294.21552	3.2
298.77948	0.8
443.34848	1.0
445.20624	2.7
447.22186	1.7
448.22171	0.7
463.21741	12.7
464.21857	1.3
469.33139	2.8
698.74921	0.7
705.41547	1.0
723.43347	6.5
724.42712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46381	0.1
59.01381	1.1
61.98849	0.5
63.02388	1.3
65.00320	0.7
67.01911	0.1
69.58433	0.9
69.68232	0.1
71.01377	0.6
71.34895	0.1
72.67819	0.1
73.02980	0.2
83.01381	1.0
85.02975	0.4
87.00893	0.3
89.02468	0.4
91.01909	0.4
93.03458	1.4
95.01424	0.4
96.96031	0.6
101.02455	0.2
106.42464	0.1
107.01382	3.0
108.04552	0.3
109.02943	0.8
113.02454	0.8
117.03467	3.0
117.04274	0.2
118.03814	0.2
119.05019	1.3
121.02946	0.1
123.00874	0.3
125.02491	0.3
130.04333	0.1
131.03549	0.1
131.05029	0.3
133.02951	0.2
135.00870	1.1
137.02475	0.3
141.07077	0.2
143.03502	0.1
143.05011	1.0
145.02945	12.1
146.03297	0.4
147.08130	0.2
151.00365	5.2
151.01569	0.3
152.00781	0.2
154.04224	0.3
155.04980	0.3
156.05782	0.2
157.06567	0.8
158.03773	0.2
159.04523	1.1
161.02454	0.2
161.06114	0.2
163.00360	1.8
163.03992	2.0
164.01143	0.4
165.01953	0.4
167.05032	0.5
169.01396	1.0
169.06587	0.8
171.04498	0.6
171.10281	0.2
173.02464	0.1
173.06104	0.3
182.03740	0.2
183.04494	0.6
184.05263	0.3
185.06068	2.4
186.06326	0.1
187.03984	2.8
189.05524	0.9
192.00752	0.2
195.04494	0.6
196.05263	0.3
197.06058	0.6
198.03233	0.2
199.04041	0.8
200.04593	0.2
201.05605	0.7
209.11766	0.2
211.03967	1.4
212.04567	0.3
213.05560	2.2
214.02715	0.3
214.05875	0.2
215.03455	0.3
223.03952	0.4
226.02867	0.2
227.03470	4.1
228.03865	0.2
229.05035	10.2
230.05328	0.5
239.03479	1.1
240.04211	0.7
241.05029	1.5
242.05443	0.2
243.03000	0.5
255.00243	0.1
255.02966	3.9
256.03665	0.9
257.04535	6.7
258.04834	0.5
267.02994	0.7
268.03809	0.2
271.06033	0.5
277.07101	0.5
283.02548	0.5
284.03244	3.3
285.04019	100.0
286.04364	8.4
289.07162	0.2
421.11279	0.2
439.12442	2.9
440.12582	0.4
485.74799	0.1
523.03583	0.2
561.12341	0.4
579.13464	2.0
580.13928	0.3
665.37463	0.2
725.16937	4.3
726.17456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
61.98823	0.3
63.02391	1.2
65.00313	0.8
65.03986	0.2
69.56845	1.2
71.01381	0.9
71.49628	0.2
73.02946	0.2
75.00867	0.4
80.96532	0.2
83.01385	1.3
85.02937	0.6
87.00897	0.2
89.02428	0.5
91.01879	0.3
93.03453	1.9
95.01382	0.5
96.96004	0.7
99.00885	0.3
101.02461	0.4
101.31096	0.2
103.70036	0.2
104.24045	0.2
107.01373	2.3
109.02946	0.8
113.02435	1.0
117.03461	3.1
119.01388	0.2
119.05031	1.4
121.02976	0.2
123.00826	0.3
125.02447	0.4
130.04221	0.2
131.05042	0.4
135.00876	1.2
137.02426	0.4
141.07065	0.2
143.03474	0.3
143.05009	1.0
145.02948	12.4
146.03279	0.6
151.00365	5.0
154.04250	0.4
155.04977	0.3
156.05719	0.3
157.06570	1.0
159.04492	1.1
161.02486	0.2
161.05923	0.2
162.99419	0.2
163.00386	1.9
163.03979	2.1
164.01126	0.4
165.01891	0.5
166.85596	0.2
167.04955	0.5
169.01382	0.8
169.06561	0.7
171.04471	0.8
173.02367	0.3
173.06044	0.3
175.04007	0.3
183.04530	0.5
185.06065	2.4
187.04008	2.5
189.05573	0.8
195.04504	0.5
196.05138	0.2
197.06064	0.6
199.03923	0.7
201.05577	0.6
211.03952	1.8
212.04655	0.2
213.05579	1.8
214.02667	0.4
215.03535	0.4
226.02937	0.2
227.03485	3.3
228.03792	0.2
229.05035	9.0
230.05376	0.7
239.03535	0.8
240.04219	0.7
241.05035	1.3
243.02919	0.3
255.02986	4.0
256.03677	0.9
257.04523	6.3
267.02847	0.5
268.03601	0.3
271.06210	0.4
277.07172	0.6
283.02606	0.4
284.03201	3.2
285.04019	100.0
286.04349	7.5
289.07318	0.3
439.12454	2.8
440.12796	0.4
561.12256	0.3
579.13599	2.0
580.13684	0.3
600.27576	0.2
603.39050	0.4
665.38269	0.2
725.17059	3.3
725.28510	0.2
725.37042	0.3
726.17383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1934
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01396	0.4
63.02398	0.8
63.24807	0.2
65.00311	0.6
83.01392	0.9
88.03812	0.3
91.01888	0.5
93.03452	2.1
98.19847	0.6
107.01392	2.4
109.02927	1.0
117.03432	0.4
132.02165	0.6
135.00887	1.3
137.02472	0.4
143.05022	0.7
145.02991	0.3
151.00363	3.6
153.01961	0.8
155.04976	0.3
156.05757	0.4
157.06595	0.6
159.04558	1.4
163.00377	2.7
164.01128	0.6
165.01907	0.7
167.05014	0.8
169.06587	0.9
169.21204	0.3
171.04530	0.9
178.99878	0.4
183.04495	0.7
185.02338	0.4
185.06058	2.9
187.03989	3.6
189.05516	1.1
195.04434	0.9
196.05238	0.6
197.06033	1.4
198.03110	0.3
199.03981	1.2
200.04860	0.3
201.05569	0.9
211.03976	3.5
212.04575	0.5
213.05559	2.4
223.04012	0.3
227.03484	28.2
228.03860	2.4
229.05043	13.5
229.06807	0.2
230.05344	1.3
239.03476	2.7
240.04201	1.0
241.05043	2.3
243.03008	0.5
255.02965	48.3
256.03561	6.0
256.06757	0.3
256.07211	0.3
257.04532	9.3
258.04901	0.6
267.02988	1.1
283.02545	0.8
284.03247	46.4
285.04010	100.0
286.04367	7.5
327.05087	0.7
493.93167	0.3
593.14282	0.4
725.19299	73.1
726.19604	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	725.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65773	0.4
53.71870	0.4
59.01384	1.1
59.69294	0.4
61.98827	1.3
62.24521	0.4
63.02390	0.7
65.00333	1.0
70.73534	1.1
85.02930	0.6
93.03455	1.5
96.96006	1.3
98.71512	0.5
107.01360	2.7
109.02929	0.7
113.02469	0.5
114.93394	1.4
117.03452	0.4
125.02452	0.8
132.02153	0.5
135.00883	1.4
143.04990	1.1
145.05043	0.6
151.00380	3.8
153.01884	0.5
159.04469	1.3
163.00368	2.8
164.01085	0.7
167.04918	0.5
169.06573	0.7
171.04453	0.6
175.98402	0.4
178.99866	0.6
182.03691	0.5
183.04483	0.7
185.06024	2.5
187.03995	1.9
189.05623	0.7
190.48642	0.5
199.03954	1.1
201.05560	0.8
211.03976	2.5
213.05573	1.1
227.03471	30.2
228.03804	2.6
229.05022	10.6
230.05412	0.9
239.03577	2.4
240.04152	1.1
241.05013	1.3
255.02962	57.0
256.03540	7.4
257.04547	8.2
258.05133	0.4
267.02844	1.5
269.04437	0.4
274.01181	0.5
283.02350	0.6
284.03235	64.1
285.04004	100.0
286.04327	7.8
302.00836	0.6
309.16080	0.5
326.11642	0.6
327.05066	0.8
341.13977	0.7
465.06750	1.3
491.19125	1.1
503.19095	0.8
533.20563	0.8
545.20197	1.0
593.15656	0.7
628.13293	0.7
725.19257	72.8
726.06561	0.9
726.19623	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	725.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
71.01381	2.3
75.00883	0.9
79.95721	1.6
83.01396	1.0
89.02409	1.1
93.03450	2.2
96.95998	1.6
101.02438	1.0
107.01376	1.9
109.02948	0.9
132.02168	1.0
135.00870	2.3
136.01555	0.9
143.05026	1.4
145.02887	1.0
151.00360	3.0
159.04512	2.0
163.00334	2.6
164.00974	1.1
167.04944	1.1
169.06479	1.4
169.42230	0.9
178.99844	1.1
183.04510	1.1
185.06091	2.0
187.04047	2.3
189.05606	0.9
199.03975	2.0
201.05673	1.1
211.03964	2.7
213.05507	2.5
227.03465	28.5
228.03781	3.2
229.05032	14.2
230.05386	1.2
239.03424	2.9
240.04099	1.3
241.04968	2.1
255.02966	44.2
256.03482	6.4
257.04556	8.1
284.03241	47.5
285.04013	100.0
286.04333	7.7
466.46609	0.9
601.65723	1.0
665.29810	2.2
701.11389	1.1
725.19232	78.9
726.19580	15.2
755.18744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69188	0.1
59.01378	1.1
69.03472	0.1
71.01379	1.1
72.99301	0.3
74.32043	0.1
75.00864	0.5
79.95733	2.8
83.01377	0.1
85.02931	0.7
87.00878	0.3
89.02435	0.5
93.03428	0.2
95.01403	0.2
95.95194	0.8
96.96009	71.3
97.95953	0.3
99.00864	0.3
101.02489	0.2
109.02922	0.2
113.02431	1.0
126.59959	0.1
147.69937	0.2
181.12320	0.6
183.58537	0.1
196.47755	0.4
203.99031	0.3
217.01793	0.1
225.11395	0.3
227.03537	0.2
243.96893	1.2
244.24734	0.1
244.27948	0.1
244.46829	0.3
244.96742	0.3
245.46896	0.2
249.05989	0.2
255.02905	0.4
257.04471	0.2
267.07104	0.4
284.03165	0.3
285.04019	0.8
289.07147	0.2
291.12701	100.0
292.13043	8.8
329.02319	0.2
406.73013	0.1
429.34039	0.2
441.07495	0.2
470.89929	0.2
482.16510	0.2
485.65732	0.1
665.31372	0.3
666.30548	0.2
695.25903	0.2
725.25360	3.0
726.24475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17318	3.3
59.01378	52.8
60.01699	4.2
61.98828	55.3
70.91415	7.1
71.01373	13.6
78.95900	6.6
83.05024	5.3
89.02437	7.2
95.01382	4.1
96.96003	9.0
101.02409	7.7
109.06573	8.3
113.02425	4.6
119.80331	2.8
131.52681	3.3
137.27219	3.7
163.11209	7.4
171.10284	7.7
199.09813	4.6
207.10179	11.3
209.11829	100.0
210.12138	9.7
211.13367	93.1
212.13748	7.6
225.11269	12.0
227.12912	26.2
235.08153	6.3
253.09184	11.0
267.95435	2.9
279.07306	3.2
286.37277	3.1
335.31226	3.4
445.20651	7.0
447.22363	14.5
461.20450	4.5
639.33759	11.8
725.35004	54.4
726.36047	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	725.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01102	0.9
59.01377	14.1
61.98823	1.0
65.05659	0.4
69.03449	3.1
71.01376	6.0
71.04997	0.8
71.60069	0.7
71.65369	0.4
73.02929	1.0
78.95898	1.2
80.96488	1.1
82.95406	0.9
83.05016	1.4
85.02946	1.1
85.06565	0.8
87.00867	0.8
89.02444	2.5
95.01373	0.6
96.95988	2.0
97.02969	0.8
97.06587	0.5
101.02438	3.7
109.06566	1.6
111.08153	1.8
113.02464	2.5
115.00404	0.8
119.03505	0.7
125.09756	0.8
141.09029	0.6
145.05194	0.7
149.09740	1.0
153.12828	0.8
153.99919	0.6
161.04489	1.4
167.10713	2.6
169.12343	3.7
171.10332	0.6
175.02507	1.3
177.12848	0.6
179.05528	1.0
179.10753	1.3
179.14412	3.4
195.13879	9.5
197.11806	52.0
198.12173	2.9
199.13483	0.7
205.12292	11.3
209.11784	1.6
211.13364	1.8
220.24994	0.6
223.13365	100.0
224.13698	6.6
235.08182	5.0
249.14983	0.6
253.09279	9.7
254.98178	2.1
289.07123	0.7
291.19632	5.6
292.20059	0.9
309.20691	14.7
310.20990	1.5
352.33655	0.6
352.75192	0.6
411.25369	0.7
429.26273	1.1
433.20465	2.3
441.21213	2.4
459.22281	15.4
460.22430	3.2
595.31091	0.5
647.34552	1.9
651.72705	0.5
665.34955	3.4
725.31512	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	725.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
59.01379	9.8
61.98816	3.9
71.01396	6.7
73.02950	1.2
74.77954	1.1
78.95911	1.7
89.02457	2.9
89.88564	1.1
96.95993	1.4
97.06570	3.3
101.02431	2.7
108.76776	1.2
108.96378	1.5
113.02431	1.6
114.58698	1.1
115.82603	1.3
120.22651	1.3
123.04555	1.4
125.02424	4.5
127.06400	1.1
151.03964	1.5
151.11296	13.1
164.97641	1.1
169.01375	3.1
169.12332	83.6
170.12610	3.6
181.54272	1.3
195.10248	1.3
195.13887	3.2
205.15750	1.4
209.11804	1.8
213.11282	10.2
223.13268	1.6
228.04137	1.2
235.08066	1.5
253.09235	2.5
272.82434	1.1
275.19977	1.9
289.07138	4.1
293.21194	10.7
449.20166	4.6
526.17969	2.1
725.41083	100.0
726.41461	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	725.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26973	0.2
59.01379	2.2
59.44196	0.2
69.42567	1.2
69.42971	0.6
71.01371	2.2
73.02927	0.5
78.95914	0.4
80.02683	1.0
81.03455	1.0
83.01421	0.3
83.05019	4.6
84.02172	0.9
85.02956	0.8
89.02432	1.8
95.05025	0.3
101.02433	1.8
109.06550	0.3
112.05384	0.2
113.02457	0.9
118.10172	0.3
119.03502	0.6
125.06038	0.3
135.08159	0.5
143.03534	0.4
152.99579	0.7
161.04584	0.6
163.11276	3.0
165.12811	2.4
170.93625	0.3
171.10268	0.6
179.05544	0.3
181.12329	0.7
183.13954	0.2
184.14220	0.3
191.10788	0.7
198.90379	0.2
207.10271	0.3
209.11807	100.0
210.12148	6.7
225.11249	0.6
227.12848	8.9
228.13298	0.6
235.08264	1.5
253.09264	6.8
277.21774	0.3
278.21973	0.4
279.23257	52.6
280.23590	5.8
281.24802	0.8
445.20660	1.1
471.16440	0.3
617.91772	0.3
707.37720	0.5
725.43237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26973	0.2
59.01379	2.2
59.44196	0.2
69.42567	1.2
69.42971	0.6
71.01371	2.2
73.02927	0.5
78.95914	0.4
80.02683	1.0
81.03455	1.0
83.01421	0.3
83.05019	4.6
84.02172	0.9
85.02956	0.8
89.02432	1.8
95.05025	0.3
101.02433	1.8
109.06550	0.3
112.05384	0.2
113.02457	0.9
118.10172	0.3
119.03502	0.6
125.06038	0.3
135.08159	0.5
143.03534	0.4
152.99579	0.7
161.04584	0.6
163.11276	3.0
165.12811	2.4
170.93625	0.3
171.10268	0.6
179.05544	0.3
181.12329	0.7
183.13954	0.2
184.14220	0.3
191.10788	0.7
198.90379	0.2
207.10271	0.3
209.11807	100.0
210.12148	6.7
225.11249	0.6
227.12848	8.9
228.13298	0.6
235.08264	1.5
253.09264	6.8
277.21774	0.3
278.21973	0.4
279.23257	52.6
280.23590	5.8
281.24802	0.8
445.20660	1.1
471.16440	0.3
617.91772	0.3
707.37720	0.5
725.43237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81723	0.8
55.01875	2.5
57.03440	3.1
58.00576	1.2
59.01376	53.6
64.99504	0.8
65.00303	0.9
68.99825	1.5
69.03448	4.9
70.03829	0.8
70.52374	0.9
70.60326	2.6
71.01382	33.0
72.99304	4.4
73.02942	18.2
75.00867	1.7
81.03457	2.1
83.01382	9.6
85.02946	20.9
86.00060	1.5
87.00879	9.4
87.04536	1.6
89.02424	4.5
93.03471	4.5
95.01391	5.4
95.05028	1.1
96.96004	4.2
97.02949	5.7
99.00867	6.2
99.04527	2.1
101.02431	21.9
108.02147	1.6
109.02966	2.8
111.00874	2.7
111.04479	0.9
113.02454	12.6
115.03996	1.4
119.03480	1.6
121.02962	8.7
122.03746	9.8
123.04526	2.3
125.02440	7.2
127.04003	2.2
132.02167	4.9
133.02956	30.2
134.03769	8.8
135.04517	3.7
136.01630	1.3
137.02432	2.2
141.01880	1.5
143.03473	3.8
145.02954	2.2
146.03735	1.6
147.04539	5.0
149.02432	73.2
149.06071	14.0
150.03224	70.2
151.03722	3.1
159.02914	1.7
161.04611	1.5
161.05991	1.4
162.03198	2.6
163.04012	1.3
164.03487	1.2
164.04782	17.2
165.05562	42.7
166.06355	12.3
167.07071	4.7
177.05531	2.5
180.04285	2.1
181.08691	14.7
195.06604	9.5
219.04517	0.9
229.55450	0.9
270.08783	1.4
283.09750	2.6
312.12125	3.1
313.12869	1.5
314.11496	8.7
315.12265	3.9
327.14468	31.8
328.14706	2.5
329.13919	27.0
330.14267	3.8
343.15585	1.5
364.44730	0.9
369.15854	1.1
417.15631	1.1
443.17090	1.0
457.18546	1.7
460.17319	2.3
471.18741	13.0
472.19003	1.0
475.19702	65.6
476.20004	10.1
489.20517	16.4
490.20712	1.9
525.19849	1.5
531.20709	10.0
532.21338	2.1
543.20679	2.0
571.21722	1.4
619.23889	77.3
620.24188	15.9
637.24939	65.8
638.25232	12.0
649.24945	4.1
667.25964	8.2
668.26318	1.7
679.25983	100.0
680.26337	21.2
685.27051	5.8
686.26801	2.3
709.26831	3.0
727.28070	20.7
728.29065	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81723	0.8
55.01875	2.5
57.03440	3.1
58.00576	1.2
59.01376	53.6
64.99504	0.8
65.00303	0.9
68.99825	1.5
69.03448	4.9
70.03829	0.8
70.52374	0.9
70.60326	2.6
71.01382	33.0
72.99304	4.4
73.02942	18.2
75.00867	1.7
81.03457	2.1
83.01382	9.6
85.02946	20.9
86.00060	1.5
87.00879	9.4
87.04536	1.6
89.02424	4.5
93.03471	4.5
95.01391	5.4
95.05028	1.1
96.96004	4.2
97.02949	5.7
99.00867	6.2
99.04527	2.1
101.02431	21.9
108.02147	1.6
109.02966	2.8
111.00874	2.7
111.04479	0.9
113.02454	12.6
115.03996	1.4
119.03480	1.6
121.02962	8.7
122.03746	9.8
123.04526	2.3
125.02440	7.2
127.04003	2.2
132.02167	4.9
133.02956	30.2
134.03769	8.8
135.04517	3.7
136.01630	1.3
137.02432	2.2
141.01880	1.5
143.03473	3.8
145.02954	2.2
146.03735	1.6
147.04539	5.0
149.02432	73.2
149.06071	14.0
150.03224	70.2
151.03722	3.1
159.02914	1.7
161.04611	1.5
161.05991	1.4
162.03198	2.6
163.04012	1.3
164.03487	1.2
164.04782	17.2
165.05562	42.7
166.06355	12.3
167.07071	4.7
177.05531	2.5
180.04285	2.1
181.08691	14.7
195.06604	9.5
219.04517	0.9
229.55450	0.9
270.08783	1.4
283.09750	2.6
312.12125	3.1
313.12869	1.5
314.11496	8.7
315.12265	3.9
327.14468	31.8
328.14706	2.5
329.13919	27.0
330.14267	3.8
343.15585	1.5
364.44730	0.9
369.15854	1.1
417.15631	1.1
443.17090	1.0
457.18546	1.7
460.17319	2.3
471.18741	13.0
472.19003	1.0
475.19702	65.6
476.20004	10.1
489.20517	16.4
490.20712	1.9
525.19849	1.5
531.20709	10.0
532.21338	2.1
543.20679	2.0
571.21722	1.4
619.23889	77.3
620.24188	15.9
637.24939	65.8
638.25232	12.0
649.24945	4.1
667.25964	8.2
668.26318	1.7
679.25983	100.0
680.26337	21.2
685.27051	5.8
686.26801	2.3
709.26831	3.0
727.28070	20.7
728.29065	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01378	9.6
61.98832	7.8
68.19621	0.5
69.03416	0.7
71.01008	0.6
71.01379	9.0
72.96724	0.6
73.02930	1.9
75.00856	0.7
79.05540	0.7
79.95726	0.9
80.96502	2.2
83.01369	3.6
83.05030	1.0
85.02949	4.0
87.00890	0.9
89.02460	1.5
91.26308	0.6
93.03477	0.7
96.96006	7.8
97.02953	1.3
98.20742	1.3
99.00851	0.8
101.02440	4.1
107.04989	0.6
109.02929	0.7
109.06603	1.2
113.02475	3.4
115.00359	1.7
119.03531	0.6
119.05056	0.9
120.05798	0.9
121.02961	4.5
123.00831	0.7
123.04551	1.1
125.02440	1.8
129.02008	0.9
133.10207	1.1
135.04507	1.0
135.11800	2.7
136.05347	0.5
137.02470	0.8
138.96996	0.7
145.02950	1.4
147.04509	2.3
149.06088	0.8
150.03230	1.1
156.85422	0.6
158.03804	0.9
159.04486	2.1
159.08142	2.3
160.05298	6.1
161.04628	1.3
161.06056	2.2
161.09703	10.3
163.04002	1.2
163.11217	1.4
164.04726	1.9
169.01335	0.8
171.10220	1.1
175.02530	3.1
175.03912	1.0
175.07614	5.0
177.05559	2.0
178.06357	1.8
179.05571	0.9
179.10779	8.7
185.11823	1.0
190.02586	0.7
191.03641	0.7
199.13373	2.4
203.10760	2.2
205.08694	1.0
207.10249	3.6
209.11830	18.1
210.12149	1.1
211.13434	0.6
215.59970	0.6
217.01282	0.8
223.09735	1.4
224.22986	0.6
225.11328	3.7
227.12869	9.0
229.01306	0.9
229.08759	1.2
231.10193	1.4
235.08200	1.3
240.04341	1.2
245.11723	1.1
247.09694	1.4
253.09314	1.6
254.98128	6.0
255.10153	1.8
265.10785	1.3
269.08145	17.0
270.08545	2.1
271.09753	1.7
274.01086	0.9
275.02023	2.1
281.08102	2.5
283.09747	6.4
284.10138	1.2
288.94949	0.7
289.10791	1.9
295.09869	0.9
298.12067	1.3
299.09204	11.1
300.09503	1.0
300.99838	3.8
303.01468	0.8
307.12064	0.9
310.12048	0.7
311.09238	17.3
311.12799	1.2
312.09525	2.2
313.10767	0.8
314.11581	24.7
315.01434	0.7
315.12097	3.5
325.10861	3.1
326.07877	1.3
326.11536	15.7
327.12088	1.7
329.13916	100.0
330.14233	10.1
341.13901	50.0
342.14139	5.3
359.14886	3.1
367.13904	3.5
368.02704	1.2
375.02368	0.6
376.02524	1.9
376.52475	0.7
387.14154	0.7
390.02313	3.4
390.52451	2.2
391.02936	1.4
445.20361	0.8
447.38046	0.6
461.20358	0.7
463.21741	1.9
637.32336	2.3
653.31512	1.9
655.32996	3.1
667.40021	1.2
671.33112	2.4
673.34027	1.9
709.31628	1.4
727.30414	14.4
728.30261	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	727.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.7
57.67928	2.0
59.01377	32.6
61.98824	16.4
69.03433	2.2
71.00996	3.8
71.01381	54.1
71.60909	3.4
72.99284	2.5
73.02946	5.9
75.00870	3.6
79.95712	11.9
80.96507	40.4
83.01378	3.1
83.05052	2.2
85.02945	19.5
87.00882	8.9
87.96133	1.9
89.02440	6.3
91.25860	1.9
95.01391	3.6
96.96007	43.4
101.02438	9.4
103.00395	4.3
108.04543	3.6
113.02448	27.8
115.00361	32.8
125.02416	5.1
127.19133	2.2
137.02428	3.8
138.97050	10.1
142.50621	1.9
145.02991	3.0
150.05739	3.9
150.06802	17.8
157.01421	5.1
161.04597	2.7
162.06801	2.8
163.07649	6.2
163.11250	3.6
164.08412	4.8
166.96541	7.6
175.02472	54.1
176.02773	2.9
177.09094	2.5
178.09978	2.0
179.10725	8.2
189.40175	2.1
192.98065	13.2
199.13391	4.9
201.11247	2.6
209.11819	36.1
224.98259	2.0
227.12865	30.4
235.08092	3.4
253.09177	3.2
254.98137	100.0
255.98389	4.2
257.00967	2.8
275.01877	5.7
290.16071	2.4
300.99872	7.7
343.21402	3.5
359.14828	4.4
373.26108	5.7
376.02457	3.3
390.02103	4.5
390.52631	3.1
391.03281	3.0
399.73572	2.2
411.76682	2.3
445.20789	3.5
463.21881	3.8
477.32303	2.9
479.20459	2.2
505.31958	3.3
510.71414	2.7
522.31897	4.1
523.32965	15.8
637.32019	9.3
655.33087	13.1
656.33331	3.0
667.40045	3.2
670.58875	2.3
673.34192	7.7
709.30548	2.4
727.32922	86.7
728.35333	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	727.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94389	0.5
57.03446	1.5
59.01376	13.7
60.99318	0.6
61.98828	4.2
69.03458	1.0
71.01376	46.4
71.60045	1.1
72.01719	0.9
72.99316	1.3
73.02937	3.4
75.00871	1.2
79.95728	14.0
80.26555	0.6
80.96511	45.0
83.01384	2.3
83.05006	0.7
84.82554	0.6
85.02947	14.6
85.46917	0.5
87.00869	9.7
87.04531	0.6
89.02461	1.6
90.89999	0.6
95.01376	3.5
96.96004	45.0
99.00885	1.5
101.02435	2.7
102.02672	0.6
103.00356	6.1
104.57740	0.6
109.02930	0.6
111.00842	0.8
113.02441	29.0
115.00364	38.9
116.00732	1.2
116.43436	0.7
121.02938	0.7
122.44871	0.8
122.97560	1.1
129.01909	1.0
131.03499	1.0
138.97069	10.1
144.12289	0.6
147.04527	0.8
150.03166	1.4
157.01453	5.3
159.04495	1.5
160.05293	4.1
161.04605	1.1
161.05934	1.1
161.09723	1.2
162.97040	1.0
163.04047	1.1
163.11320	1.0
164.04848	0.9
166.96539	6.6
171.10172	0.7
174.97116	1.3
175.02455	57.9
175.07550	3.3
177.05588	1.1
178.06363	1.1
179.05519	0.8
179.10732	1.3
192.98091	14.0
199.13460	0.6
207.10284	2.2
209.11830	17.0
210.12141	1.9
210.99184	2.1
225.11273	8.1
226.11639	0.7
227.12924	5.0
235.08069	0.8
236.97209	1.4
253.09267	1.7
254.98128	100.0
255.98520	3.6
275.01917	0.9
300.99982	0.7
324.98648	0.6
328.58899	0.6
329.09891	0.9
329.13873	18.1
330.14230	1.8
359.14999	1.5
361.02039	0.6
391.02881	0.9
404.24402	0.6
445.20737	0.9
461.20135	2.3
653.31781	1.8
655.33002	1.6
667.40131	1.8
671.33081	2.8
672.33423	0.8
673.33704	1.5
709.31641	0.8
727.33594	98.1
728.33844	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03420	2.7
58.00586	1.3
59.01376	24.4
69.03458	1.2
69.59531	4.5
71.01379	43.0
72.01709	0.9
72.99294	2.0
73.02944	12.0
75.00857	1.3
79.95720	3.3
83.01379	6.6
85.02445	1.1
85.02946	18.2
87.00882	3.0
89.01919	1.1
89.02438	13.5
95.01355	3.0
96.96014	9.7
97.02934	3.4
99.00867	6.3
101.02441	29.1
103.76640	0.6
109.02950	3.0
111.00867	1.3
113.01704	1.2
113.02441	17.3
116.92828	1.2
119.03498	3.2
121.02956	1.3
123.04514	2.3
125.02458	8.9
131.03488	6.4
135.04558	0.8
136.01634	0.7
137.02412	4.2
139.04036	0.8
143.03471	2.4
146.03679	0.9
149.02423	1.3
150.03186	1.0
151.03964	1.1
159.02985	2.0
161.04556	13.6
161.05898	1.1
162.03191	0.8
165.01912	1.5
173.33748	0.6
175.04045	0.8
179.03510	1.5
179.05479	1.4
187.04007	1.0
191.05531	0.7
203.07077	2.8
205.04994	1.8
221.06636	2.3
245.08057	3.2
247.06044	0.8
257.04492	1.1
273.07703	1.0
289.07153	5.3
327.07495	0.7
353.10760	0.9
373.22250	15.7
374.22794	1.7
495.16867	2.0
505.26584	10.1
506.26767	1.6
535.27563	24.6
536.28040	4.1
647.21515	0.9
667.31763	100.0
668.32123	20.2
707.86493	0.9
727.16602	13.3
728.17365	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	727.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14000	2.3
57.03453	3.3
57.56202	2.4
59.01374	36.8
61.98820	8.7
65.44245	2.1
69.03461	6.3
69.31356	9.7
69.31784	12.1
71.01379	15.9
73.02934	3.0
80.06599	2.3
85.02919	3.4
87.00890	3.9
89.02442	7.1
95.01363	2.9
96.95990	8.5
97.02944	10.2
101.02430	11.5
109.06589	33.2
113.02451	7.6
121.59658	2.5
125.09727	2.9
135.08134	6.1
161.04541	4.9
163.11298	15.3
167.10770	5.9
170.12457	3.0
179.10667	4.5
179.14383	6.2
181.12250	3.8
185.11818	4.5
195.13896	14.1
199.09850	2.8
201.11345	4.7
205.12299	11.9
207.10228	90.8
208.10519	4.5
209.11777	4.9
211.13411	6.2
223.13382	100.0
224.13686	6.9
225.11295	38.1
235.08124	7.8
249.04492	2.7
253.09282	14.3
267.17889	2.6
270.46835	2.8
322.62759	2.7
393.18488	3.2
395.22104	11.7
413.23230	21.4
414.23541	5.9
431.24460	7.5
443.19199	6.7
459.21918	8.9
461.20233	8.0
581.61719	3.5
621.32300	4.7
631.30981	7.8
649.32153	48.6
650.32605	8.0
667.33191	57.0
668.33698	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66457	0.4
55.70444	0.3
59.01377	16.9
60.01692	0.4
63.23709	0.3
71.01373	2.1
73.02952	0.8
73.18541	0.4
78.95897	0.4
83.04999	0.5
85.02938	0.9
86.04527	0.4
87.00874	0.5
89.02451	1.5
96.96011	0.6
101.01871	0.3
101.02435	2.0
113.02452	1.0
119.03518	0.4
125.09740	0.7
127.11299	1.2
144.02974	0.3
152.99541	0.4
160.45547	0.3
161.04558	0.8
171.10258	82.5
172.10585	3.8
209.11827	4.8
210.12173	2.2
211.12354	0.6
227.12886	0.8
233.22899	0.4
235.08194	3.8
253.09262	8.7
254.09712	0.6
255.23643	0.4
277.21701	100.0
278.22046	10.4
279.23270	4.6
280.23584	3.8
281.24603	3.0
341.04663	0.3
366.34259	0.4
384.90775	0.4
407.19183	1.1
513.30334	1.7
680.05670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.7
70.74262	0.7
71.01387	1.9
83.96947	0.3
89.02445	1.1
101.02446	1.3
113.02489	0.8
125.09723	0.6
127.11272	1.1
152.99593	0.3
153.09186	0.5
154.83887	0.3
155.60219	0.3
161.04538	0.9
171.10255	100.0
172.10579	4.7
179.05443	0.3
203.52657	0.3
209.11809	3.4
210.12064	1.9
211.12602	0.4
235.08185	1.1
253.09268	6.1
254.09659	0.4
277.21689	51.2
278.22021	5.2
279.23294	1.8
280.23575	1.5
281.23837	0.6
281.77463	0.3
283.43948	0.3
327.71899	0.3
407.19229	3.3
408.20044	0.5
567.26068	0.4
576.35547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24680	0.2
56.53927	0.2
57.76845	0.3
59.01371	2.5
60.52345	0.3
71.01369	2.3
71.52346	0.3
71.59129	0.4
73.02969	0.8
78.95895	0.5
80.02674	0.4
81.03442	0.8
83.01369	0.3
83.05020	2.9
84.02126	0.3
84.16684	0.3
85.02965	0.6
87.00874	0.9
89.02443	1.2
94.56683	0.2
96.76278	0.3
97.02966	0.5
101.02435	2.2
109.06559	0.4
113.02452	1.0
119.03583	0.3
128.95447	0.3
132.58444	0.3
135.08131	0.4
145.05081	0.4
161.04581	1.0
163.11281	2.1
165.12833	1.3
191.10759	0.4
209.11809	62.7
210.12140	3.8
227.12872	7.1
228.13179	0.5
235.08211	5.4
253.09261	7.3
254.09714	0.3
255.23329	0.4
261.94336	0.3
281.24835	100.0
282.25189	10.3
370.09311	0.3
517.33875	0.8
518.34674	0.3
546.16333	0.3
598.42120	0.3
643.10602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98828	100.0
71.01381	1.4
71.60455	0.2
72.99300	0.2
73.02926	0.2
78.65401	0.1
79.95721	0.2
83.01392	0.2
85.02939	0.8
87.00896	0.2
89.02437	0.7
91.79530	0.2
95.01418	0.2
96.96001	1.8
98.95622	0.2
101.02442	0.6
109.02921	0.4
113.02448	0.6
119.03498	0.5
123.00885	0.6
125.02460	0.5
132.01373	0.2
137.02457	1.7
143.03484	0.2
145.03059	0.2
149.02464	0.4
150.03175	0.2
151.00366	2.9
151.04008	0.4
152.01076	0.2
152.04787	0.3
161.04628	0.2
163.03969	0.3
165.01907	0.2
165.05551	0.2
166.02702	9.5
167.03273	0.7
175.04021	0.3
177.01923	0.5
179.03651	0.1
179.05585	0.6
181.05060	15.2
182.02180	0.5
182.05383	0.8
184.03622	0.2
191.05576	0.5
192.04272	0.2
197.04521	0.6
198.04796	0.2
203.03569	0.2
205.05049	0.2
205.08586	0.2
207.06651	0.2
233.08015	0.2
291.12653	0.2
301.00049	0.2
327.13995	0.2
357.15448	1.1
359.11365	0.3
387.10858	2.2
388.11099	0.2
402.13138	1.6
403.13681	0.2
417.15503	32.8
418.15796	4.8
451.08127	0.2
481.15158	0.4
487.19669	0.2
488.20178	0.5
561.20050	0.3
567.24384	0.3
632.06219	0.3
678.48987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.8
59.01362	1.1
67.01874	0.6
69.03448	1.6
71.01384	1.3
71.36530	0.8
81.03453	1.6
83.01377	3.5
89.02400	0.9
93.03472	1.6
95.01382	1.4
95.05023	1.5
96.96004	2.9
97.02947	3.3
101.02450	0.8
105.03461	0.7
107.01373	1.0
108.02171	0.6
109.02950	14.2
109.03687	0.9
121.02953	7.2
122.03745	0.9
123.00871	1.1
123.04514	11.1
124.01722	0.6
125.02438	100.0
126.02759	3.2
131.04977	1.0
133.02913	3.6
135.04509	2.3
136.11203	0.5
137.02441	16.9
138.02771	0.8
139.03998	2.0
145.02980	1.8
146.03694	1.0
147.04459	0.9
149.02440	5.2
150.03223	1.0
151.03992	8.9
157.03012	0.6
158.03737	0.7
159.04492	3.8
160.05286	1.0
161.02434	25.5
161.06078	3.4
162.02901	1.1
163.00368	1.7
163.04005	3.7
164.01190	3.7
165.01921	3.0
167.03474	1.0
169.01413	24.5
170.01778	1.2
173.06071	1.5
173.77603	0.5
174.03210	0.9
175.03989	7.4
175.07584	0.9
176.01178	0.6
177.01917	3.4
177.05411	1.1
178.02774	0.7
179.03448	2.9
183.04517	1.4
185.06039	0.9
187.04002	4.9
188.04724	2.4
189.02005	1.1
189.05629	1.2
191.03535	0.9
197.05946	1.3
199.03966	1.7
199.07559	0.6
201.05562	2.8
202.06343	0.9
203.03493	2.0
203.07118	4.5
205.01404	1.7
205.05086	5.9
209.04530	4.0
211.04115	0.8
211.07564	0.6
212.04767	0.8
213.05550	1.7
214.02628	0.6
215.03496	1.1
215.07002	1.0
217.05069	1.7
221.08290	0.7
225.05664	2.5
227.03499	1.3
227.07158	1.3
228.04131	0.9
229.05075	3.1
230.05904	0.8
231.02937	2.5
231.06491	0.7
237.05673	0.7
239.03387	0.7
240.04425	0.6
241.05043	2.0
243.02951	2.1
243.06587	1.4
245.04529	6.9
245.08177	7.3
247.06129	2.0
253.05080	1.3
255.02963	4.7
255.06650	0.8
256.03638	3.0
257.04468	2.9
267.03079	0.9
269.04517	18.1
270.04932	2.3
271.06082	2.7
273.04080	3.9
280.03717	1.0
281.04559	3.6
282.05136	1.0
283.02518	0.7
283.06064	1.2
285.04062	2.1
287.05603	16.3
288.02975	0.5
288.05954	1.3
289.07175	28.7
290.07614	2.4
297.04129	0.8
299.05618	3.7
301.03430	0.6
301.07016	1.0
303.04843	2.4
307.12198	1.0
308.12561	0.6
309.03903	0.7
311.05664	1.1
313.03616	2.4
327.04950	0.7
339.08731	2.2
363.08804	0.6
381.09839	1.4
393.09470	0.6
407.07663	36.8
408.07950	4.3
419.07544	0.9
425.08755	20.6
426.09222	3.4
433.09225	9.3
434.09628	1.4
437.08472	3.2
438.09155	0.7
439.06653	1.5
449.08737	5.5
450.08835	0.9
451.10483	9.9
452.10696	1.6
515.13422	0.9
541.11401	3.3
559.12415	16.3
560.12921	4.4
577.13489	28.3
578.13892	5.7
603.11420	1.2
729.13873	5.0
730.15375	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	729.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	11.3
57.53631	0.8
59.01382	7.2
61.98828	10.8
69.03458	1.0
70.46207	2.3
70.98183	0.9
71.01368	4.5
79.95747	2.6
80.96487	0.8
81.03464	2.3
83.01376	5.1
85.02953	3.0
87.00835	1.1
89.02451	5.3
89.80314	0.7
93.03464	1.6
95.01378	1.8
95.05018	2.0
96.96004	15.3
97.02942	3.1
101.02429	2.7
102.98523	1.1
106.31908	0.9
108.02186	0.9
109.02955	17.0
111.67487	1.0
113.02454	1.8
116.14387	0.8
117.03465	1.0
121.02953	7.6
123.00866	1.0
123.04519	10.6
125.02441	100.0
126.02808	3.1
131.05002	1.3
133.02954	3.6
135.04504	2.9
137.02448	21.2
138.02747	1.3
139.04024	3.2
145.02931	3.9
147.04445	1.5
149.02434	4.1
150.03195	2.2
151.04019	11.9
159.04472	5.3
161.02440	23.5
161.04539	1.3
161.06056	4.6
162.02985	1.6
163.00363	3.3
163.04019	3.0
164.01118	3.8
165.01932	5.2
167.03448	1.5
167.38216	0.9
169.01396	19.5
173.06026	1.6
175.03983	10.2
175.07678	1.2
177.01941	9.2
177.05591	1.3
179.03470	3.5
179.05609	1.0
180.03978	1.1
185.06070	2.1
187.03989	6.0
188.04695	2.0
193.01476	2.0
199.04079	1.5
201.02037	1.1
201.05605	2.8
202.06284	1.6
203.03418	1.7
203.07143	8.8
205.01425	2.1
205.05020	6.2
209.04529	2.3
209.06252	1.2
211.04019	1.3
212.04742	1.1
213.05438	1.7
215.03476	1.2
217.05051	1.1
219.03029	1.3
219.06541	1.4
221.08246	1.5
225.05583	1.3
227.03513	2.4
227.07045	2.5
229.05011	3.4
231.02917	1.6
241.05019	0.9
243.02977	6.3
243.06711	1.1
245.04515	7.9
245.08144	13.5
253.04944	2.7
255.02992	8.6
256.03735	4.5
257.04428	2.3
269.04538	3.4
271.06122	6.9
272.06467	1.0
273.04025	1.7
275.02014	1.5
281.04550	1.9
283.02432	1.9
284.03223	1.1
285.04047	3.7
287.05563	10.2
288.06137	1.1
289.07150	50.7
290.07431	4.3
297.04083	1.4
299.05624	2.7
300.99939	3.9
303.05212	2.5
339.08731	2.9
341.10837	1.2
363.09152	0.9
381.09695	1.8
387.16736	1.5
389.06839	4.3
407.07681	70.9
408.08023	9.3
425.08820	15.3
426.09259	1.6
433.09219	3.8
441.08246	12.1
442.08325	1.7
451.10333	16.4
452.10709	1.9
467.09662	0.9
486.27673	0.9
486.34723	0.9
536.28125	1.4
559.11023	5.0
577.13660	18.4
578.13269	2.6
603.11658	2.9
604.11615	1.2
637.22156	1.0
668.32123	2.9
669.32654	2.1
729.15918	10.0
730.16357	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	729.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03437	1.2
59.01105	1.3
59.01378	23.2
61.98830	14.2
69.03443	1.2
71.01373	11.5
71.59346	1.4
72.99314	2.2
73.02947	2.6
75.00879	1.4
80.02650	2.8
81.03448	5.4
83.01372	2.1
83.05006	5.7
85.02941	4.6
87.00888	1.9
89.02452	6.2
93.03436	1.4
95.01350	2.3
95.04992	1.5
96.96022	5.9
97.02939	8.4
97.06523	2.2
99.00871	1.8
101.02450	8.4
102.99702	1.0
106.04256	1.2
107.05006	2.0
109.02927	1.3
109.06588	46.2
110.03765	2.9
110.06938	2.5
113.02448	5.8
119.03473	2.5
121.06555	2.7
123.04468	1.8
123.08126	2.0
125.09721	8.6
135.08174	8.6
136.05276	2.4
142.02658	3.5
145.05064	1.4
146.07248	1.0
161.04518	3.2
161.09639	5.2
163.11282	27.4
164.11577	1.4
164.81032	1.1
165.09120	1.2
171.10159	1.5
175.11237	1.6
181.12344	6.8
185.11877	1.8
187.09723	3.4
189.09154	2.9
191.10866	1.7
197.11662	1.6
199.09808	1.2
201.11273	2.4
207.10239	100.0
208.10573	7.0
209.11810	10.6
211.13396	7.8
211.15062	1.3
212.13560	1.2
223.09737	3.3
223.13385	1.8
225.11298	48.6
226.11673	4.3
235.08182	3.2
237.11252	1.4
243.12143	1.1
253.09245	9.1
261.11237	1.5
263.12878	2.6
299.14996	2.0
327.19611	2.8
361.20129	1.7
369.20758	1.6
371.18408	3.3
371.22516	2.0
387.21692	3.3
389.19540	2.3
397.20068	6.5
405.22638	2.2
415.21124	13.8
416.21414	1.6
433.22073	3.6
443.19284	3.7
461.20142	12.2
462.20175	1.4
463.54074	1.3
473.14594	1.1
489.24637	1.4
570.84186	1.1
597.28870	3.4
607.27545	15.5
608.27667	1.7
623.30231	2.9
625.28485	28.1
626.28760	3.9
633.29065	13.5
634.29370	3.1
651.30157	61.7
652.30536	12.2
669.31201	29.4
669.40485	0.9
670.31940	5.7
729.35205	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	729.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08894	0.4
54.01177	0.4
57.03443	1.3
59.01377	10.5
67.01904	0.5
69.03449	1.1
69.23443	4.0
71.01376	45.2
72.01727	0.9
72.18954	0.4
72.99297	1.0
73.02935	2.5
75.00891	0.4
79.95733	12.1
80.96511	43.5
83.01394	1.4
84.56737	0.4
85.02945	12.2
86.03323	0.4
87.00874	7.3
95.01383	3.4
96.96005	38.4
99.00864	0.9
101.02429	0.7
101.52458	0.5
103.00362	6.8
111.00862	0.5
113.02443	24.5
114.02760	0.5
115.00365	36.5
116.00723	0.8
122.97556	1.6
128.56090	0.4
129.01930	0.8
131.03459	0.5
136.48221	0.4
138.97064	11.0
149.09378	0.4
150.97054	0.7
157.01405	5.3
158.01749	0.6
162.97060	1.2
164.98630	0.4
165.76141	0.4
166.96548	5.9
174.97055	1.7
175.02457	56.6
176.02788	2.5
191.29947	0.4
192.98096	12.8
193.98268	0.5
199.85359	0.4
210.99118	2.4
226.98758	0.5
236.97136	1.2
254.98126	100.0
255.98428	3.4
334.10239	0.5
422.67978	0.4
598.33368	0.5
729.35144	93.9
730.35498	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	729.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25111	0.8
57.03426	1.6
58.36194	0.8
59.01377	16.4
61.98523	1.4
61.98825	16.7
68.50040	0.8
69.03445	1.5
71.01380	46.1
71.60034	1.5
72.99293	2.2
73.02945	5.3
75.00882	2.1
78.95945	0.9
79.95735	11.9
80.96512	42.6
83.01385	2.4
83.05030	1.1
84.02163	1.1
85.02953	15.4
87.00879	8.0
89.02453	3.1
93.03468	1.9
95.01378	3.9
96.96005	49.5
98.95641	1.3
99.00872	1.7
101.02460	4.6
103.00360	6.7
105.93910	0.8
109.02955	3.4
111.00874	1.8
113.02446	27.1
114.02787	1.0
115.00368	37.8
119.03477	1.2
121.02947	8.5
122.03764	5.7
122.97544	1.5
123.04516	2.5
125.02457	1.2
131.03467	1.2
135.04521	1.5
135.08156	1.6
136.05290	1.5
137.02435	1.9
138.97075	12.2
147.04518	3.7
151.04086	0.9
151.07655	1.6
157.01442	4.9
159.08095	1.3
161.04636	1.6
161.05995	1.2
161.09724	2.7
162.97069	1.1
163.11208	0.9
165.01846	1.0
165.05571	15.8
166.96555	5.6
174.97058	2.1
175.02463	58.9
176.02803	2.3
179.05777	1.2
179.07187	5.3
179.10782	3.4
192.98088	13.6
195.06638	1.0
197.11937	0.9
201.11348	0.8
209.11812	10.4
210.12199	1.6
210.99217	2.5
211.13472	1.1
223.09673	1.2
225.11295	1.6
227.12880	5.3
228.13226	0.9
236.97169	0.9
254.98137	96.1
255.98506	3.0
299.98990	1.3
300.99838	1.8
313.00208	0.9
314.98267	0.8
315.12344	2.1
316.12653	1.2
323.18619	1.4
324.16510	0.8
326.11813	1.1
329.14050	3.8
330.14215	2.4
331.14642	2.1
341.13696	2.4
342.14291	1.4
346.14191	7.1
347.14761	1.3
359.78867	0.9
361.16534	77.3
362.16855	7.9
463.22006	1.1
481.31299	1.8
523.21960	1.4
567.20966	1.2
655.33179	1.2
656.33453	1.1
669.41736	1.9
673.34009	1.0
685.37732	1.3
707.87726	0.9
711.32977	1.2
729.35187	100.0
730.35602	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	729.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.4
57.03447	0.4
59.01374	5.0
61.98820	1.7
69.03455	1.0
71.01384	3.0
71.05030	0.5
71.58392	0.5
72.99309	0.4
73.02946	0.4
80.02692	1.2
81.03465	1.3
83.01380	0.3
83.05022	4.7
84.01632	0.3
84.02145	0.8
85.02950	0.8
87.00893	0.9
89.02437	2.2
95.01380	0.4
95.05058	0.6
96.96037	0.5
101.02422	2.3
105.58143	0.4
109.06551	0.5
113.02475	1.4
119.03531	0.7
125.02466	0.4
125.06081	0.5
125.09715	0.7
135.08177	0.9
136.68275	0.3
137.17900	0.3
139.35545	0.4
151.11328	0.3
151.20868	0.3
153.09323	0.3
161.04530	1.6
163.11263	4.1
165.12836	1.9
167.10770	1.4
171.10294	0.9
173.33366	0.3
179.05649	0.4
179.10789	0.7
179.14384	1.1
181.12410	0.4
185.11821	0.4
191.10789	1.1
195.13901	4.3
197.11900	0.6
201.11299	2.9
205.12308	3.6
209.11810	100.0
210.12155	6.6
211.13376	1.4
223.13374	45.7
224.13728	3.2
225.11429	0.4
227.12869	14.4
228.13210	1.3
235.08232	2.6
237.14459	0.3
248.55121	0.4
253.09251	8.8
261.15042	0.6
309.20660	1.0
359.60229	0.3
441.21347	1.2
445.20819	3.7
446.21021	0.5
459.22311	2.8
463.21454	0.5
633.32263	0.9
634.33167	0.3
651.33685	1.7
652.32996	0.3
669.34247	0.4
726.39484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35892	28.1
61.98833	100.0
69.74843	26.5
69.92219	80.4
71.33229	26.1
91.85921	28.8
98.19837	27.4
104.12629	30.0
131.36539	25.9
159.57933	32.8
197.11790	99.0
255.23531	28.8
277.21637	48.2
432.79861	31.4
477.42935	29.7
492.61426	31.4
729.39581	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	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37144	0.1
61.98827	100.0
62.56687	0.2
62.98540	0.3
80.96511	0.3
86.47889	0.2
96.96001	0.2
171.10280	0.4
172.10619	0.4
201.93657	0.2
203.74925	0.2
209.11899	0.3
236.99504	0.2
238.70978	0.2
253.21948	0.5
255.23378	0.2
277.21790	0.3
278.22092	0.4
457.68018	0.2
685.98273	0.2
731.37219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61699	0.1
52.73957	0.1
59.01379	0.3
59.82607	0.1
61.98825	100.0
62.98539	0.2
69.94382	0.1
71.01394	0.2
73.54098	0.1
75.00860	0.1
93.95771	0.1
96.96035	0.2
101.02460	0.1
109.06617	0.1
120.99685	0.1
126.61256	0.1
163.11302	0.1
171.10133	0.1
172.55074	0.1
197.11880	0.2
207.10301	0.3
209.11775	0.5
210.12173	0.1
211.13475	0.2
225.11377	0.2
253.09541	0.1
340.21011	0.1
414.10300	0.1
654.32111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
59.49276	0.1
61.98827	100.0
62.98508	0.1
71.01406	0.1
75.00871	0.7
88.98812	0.1
89.87383	0.1
96.96008	0.5
98.20631	0.3
125.02550	0.1
136.01152	0.1
171.10275	0.2
207.10321	0.3
209.11810	0.8
210.12180	0.3
211.13344	0.2
223.13353	0.2
227.12996	0.1
253.09064	0.1
447.21640	0.1
455.69855	0.1
478.42160	0.1
580.77826	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36349	0.1
52.48880	0.1
56.36743	0.1
57.49536	0.1
59.01377	0.3
61.98827	100.0
62.98522	0.1
71.01363	0.1
71.11050	0.1
81.55473	0.1
88.98817	0.3
96.96051	0.2
103.01996	0.1
142.86211	0.1
163.11404	0.1
171.10332	0.2
209.11830	0.7
211.13431	0.3
223.13518	0.2
224.13802	0.3
227.12845	0.2
229.14993	0.1
341.23276	0.1
447.25580	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
59.01379	15.4
61.98825	14.4
64.07068	2.2
64.76990	1.8
68.99537	2.7
71.01385	12.2
71.59908	2.5
72.99281	2.1
77.66756	2.0
83.01360	5.9
85.02929	4.6
88.17683	1.9
89.02401	7.0
96.95998	26.9
97.02914	2.8
98.59285	1.9
99.00866	1.9
101.02400	4.8
104.34567	2.5
107.01336	3.5
109.02935	4.1
111.00862	2.6
112.98530	3.2
113.02399	6.4
119.03436	2.1
120.63985	1.9
121.02912	3.0
122.03663	2.8
123.00825	8.0
123.04471	2.1
124.01596	2.0
125.02448	20.7
131.03468	2.1
137.02480	10.0
139.00323	3.1
139.03949	4.3
140.01070	2.3
143.05008	4.2
145.02882	2.2
150.03159	2.3
151.00345	2.1
151.03958	3.6
153.05516	1.9
155.03497	1.8
159.04434	6.3
163.03847	2.1
165.01811	2.8
165.05495	4.2
167.03505	4.4
168.00580	3.0
169.01353	6.6
169.06458	2.2
171.04404	4.7
174.03101	5.8
175.03960	6.0
179.03349	2.6
182.02077	2.9
183.03015	9.5
183.04402	3.8
187.03972	6.0
188.04774	10.5
189.05537	18.9
191.03368	2.2
195.06546	2.0
197.04358	3.3
199.03963	18.4
203.03383	6.3
211.03894	4.0
213.05435	6.5
215.03404	7.7
216.04221	5.0
217.05045	31.1
218.05322	3.6
219.02774	2.6
221.06523	2.8
227.01390	4.4
227.03479	73.8
227.06802	2.9
228.03732	6.6
229.01334	3.8
231.02991	3.9
239.03282	4.0
241.04871	6.0
243.02879	10.6
245.02188	2.5
245.04512	23.3
253.04970	2.5
254.05835	2.5
255.06503	2.8
257.04373	4.8
261.04056	4.7
269.04425	2.7
271.02396	20.1
277.05005	3.8
279.06537	3.6
281.04379	7.5
283.02319	4.9
289.11078	12.4
303.05017	4.4
308.13159	2.1
313.03339	2.7
319.06122	3.2
321.07718	2.1
323.05408	4.2
323.13254	3.5
332.99850	2.3
337.07022	4.2
347.05420	6.1
365.06357	9.1
373.05621	2.4
373.25610	5.9
381.05945	3.2
383.07504	3.6
391.04666	3.6
409.05453	9.5
427.06607	2.6
454.38721	2.1
469.53647	1.9
524.87732	2.0
529.09192	4.2
535.31012	2.6
553.14996	4.0
571.18097	28.7
577.15906	14.1
589.11938	3.3
595.16388	4.4
671.19482	4.3
689.20093	3.1
715.18323	11.0
733.19800	100.0
734.20148	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76043	0.8
55.62170	1.0
59.01375	27.9
59.62467	0.9
61.98825	4.1
69.03458	1.3
71.01378	56.3
72.01698	0.9
72.99275	1.0
73.02923	1.1
74.19014	0.8
75.34264	0.8
76.66750	1.0
77.69595	0.9
80.02695	1.0
81.03432	2.3
83.05035	1.8
85.02964	2.5
87.00874	2.6
89.02444	4.2
95.05019	0.9
97.02972	2.4
98.20618	2.9
99.00896	2.6
101.02432	4.8
109.06597	9.2
110.03784	1.1
113.02443	2.7
119.03501	1.2
121.06667	1.1
125.02451	1.9
135.08174	1.2
136.05293	1.0
142.02692	1.4
145.05040	1.2
161.04509	1.7
163.11272	7.4
171.10216	6.3
180.43246	0.8
181.12296	2.2
183.13876	9.3
185.11766	1.6
189.09303	1.3
193.12373	1.3
199.09726	1.9
199.13347	5.5
201.11285	2.9
204.33299	0.9
207.10252	29.9
207.12184	1.9
208.10524	1.9
209.11784	17.8
210.12178	1.7
211.13370	100.0
212.13753	6.2
213.96361	0.9
215.12863	1.1
225.11307	18.7
226.11552	1.3
226.35643	1.0
227.12859	17.6
235.08154	4.1
243.12401	2.0
253.09225	7.7
256.18607	1.0
339.99109	1.0
346.84897	0.9
357.24420	1.1
373.23425	2.6
383.22281	3.3
391.24945	1.9
392.25018	1.1
401.23349	7.0
402.23117	1.0
419.24307	3.1
443.18774	2.0
447.22208	1.9
461.20422	5.3
463.21750	1.3
637.32343	7.0
655.33411	11.8
656.33997	4.5
673.34113	2.4
733.40753	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	733.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36707	5.3
63.85931	4.8
70.84071	6.3
70.84394	10.1
78.95915	6.1
80.97284	5.5
86.25922	5.0
100.50526	5.3
109.06565	7.0
111.40968	5.7
189.09105	6.7
207.10263	49.1
225.11293	18.9
235.08208	14.3
253.09180	12.3
253.21689	100.0
292.19202	5.8
423.60559	5.7
443.19104	8.8
447.54065	5.6
455.35159	8.1
489.30548	8.1
500.88681	5.5
584.09747	7.8
679.40765	7.0
697.41644	38.5
698.41748	12.2
733.39093	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	733.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92799	0.3
57.91673	0.3
59.01375	7.9
61.98825	1.6
69.03468	0.3
71.01378	4.5
73.02949	0.4
78.95924	0.3
83.05009	0.5
85.02942	0.7
87.00872	0.3
89.02444	1.1
96.96003	0.4
98.20724	0.5
99.00931	0.3
101.02450	1.7
109.06576	0.8
113.02455	1.3
134.41020	0.3
135.08167	0.3
155.10748	0.3
161.04553	0.8
163.11266	0.7
167.14465	0.4
171.10196	0.7
179.05569	0.4
183.13881	6.4
193.12318	1.6
199.09741	1.0
199.13390	0.3
201.11273	0.3
207.10245	2.6
208.10649	0.6
209.11903	1.7
211.13377	100.0
212.13721	6.6
225.11288	1.7
227.12843	1.3
235.08205	1.7
253.09290	4.0
257.57251	0.3
310.17886	0.3
339.93857	0.3
405.26099	0.4
419.24741	0.4
429.21017	1.8
435.18344	0.4
447.22327	11.1
448.22821	1.4
461.20071	0.5
623.34192	2.7
624.35016	0.4
637.32318	0.9
641.35388	2.1
642.36078	0.6
655.33221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98528	0.2
65.01076	0.1
168.44037	0.1
168.67749	0.1
179.33870	0.1
209.11856	0.2
277.35007	0.1
406.30338	0.1
693.13647	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52322	0.3
57.03443	0.4
59.01388	2.1
61.28010	0.3
61.98825	100.0
63.96233	0.9
63.99260	0.3
69.03439	0.4
69.11396	0.3
70.78341	0.6
71.01382	5.8
73.02934	1.3
75.00883	0.4
75.47555	0.3
78.98589	3.6
79.95732	8.0
80.96512	43.9
81.03447	0.8
81.29457	0.3
83.01379	0.5
83.05010	0.5
85.02966	1.7
85.03388	0.3
87.00868	2.0
94.98079	10.3
96.96008	2.0
97.02949	1.5
99.00874	0.4
101.02436	1.9
106.98088	1.9
109.02959	0.3
109.06586	0.6
113.02451	1.1
114.02750	0.3
122.97586	2.0
125.02460	2.2
127.03999	0.7
134.97554	2.3
136.99120	0.9
148.99109	4.5
152.98630	3.5
161.02452	0.3
161.04428	0.4
163.11360	0.6
164.97308	0.6
164.98610	8.7
165.23750	0.3
171.10106	0.3
179.00180	0.4
182.99599	0.4
188.98605	0.3
189.01982	0.3
197.11861	0.6
206.99675	2.0
207.10223	0.7
209.11803	7.7
210.12114	2.3
211.12480	0.9
225.00713	13.7
226.01010	0.4
227.12845	0.8
228.13153	0.6
242.63289	0.3
253.09216	0.3
275.01993	0.7
283.04953	0.5
283.88754	0.3
300.99915	0.8
309.49170	0.3
376.02567	0.5
390.02274	1.0
390.52655	0.6
441.56036	0.3
507.15219	1.3
509.16928	1.2
511.51547	0.3
531.51031	0.3
691.37262	0.5
735.28882	55.6
736.29266	12.2
736.42517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.38
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
58.00595	1.4
59.01378	29.9
61.98823	5.8
69.03468	1.4
71.01379	25.4
71.16105	1.4
72.99289	1.9
73.02961	3.8
78.95911	0.8
81.03415	1.1
83.01404	3.2
83.18584	0.7
85.02943	5.6
87.00887	4.9
89.02436	21.2
91.04015	0.8
95.01375	1.3
96.96021	1.1
97.02950	4.3
99.00901	1.6
101.02432	19.4
113.02451	8.8
119.03502	6.4
121.02924	1.2
124.54025	0.7
125.02441	7.9
130.48610	0.7
131.03500	1.0
133.05058	1.2
140.37230	0.7
143.03514	3.6
161.04581	3.7
163.11154	0.8
163.17188	0.7
173.04790	0.7
179.05594	4.6
207.01170	0.8
207.10287	2.2
209.11870	0.8
211.13277	1.0
221.06627	2.0
222.73398	0.7
225.11284	3.7
235.08194	9.6
253.09196	2.9
259.20868	1.0
263.07785	1.1
277.09198	0.8
277.21701	67.4
278.22043	6.3
287.07755	2.7
291.19626	1.4
295.05838	0.8
305.08804	4.3
323.09555	0.8
397.13464	100.0
398.13815	9.0
415.14517	32.3
416.15112	2.7
444.43967	0.8
675.35309	2.1
707.37866	0.9
735.39404	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	735.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24512	0.3
59.01371	0.8
61.98812	0.4
63.96228	1.8
69.03453	1.1
70.79996	0.5
70.80308	0.5
71.01376	7.9
73.02947	1.3
75.38911	0.4
78.95911	0.9
78.98588	6.4
79.95733	12.5
80.96515	73.7
81.03453	0.8
85.02953	3.5
87.00856	2.3
94.98085	17.0
95.01366	0.7
96.96017	1.2
97.02945	1.6
99.00855	0.8
99.04489	0.4
101.02431	3.4
104.61673	0.3
106.98078	2.7
122.96217	0.3
122.97577	4.6
125.02435	3.2
127.04019	1.2
131.93570	0.3
134.97571	5.5
136.99168	1.7
146.97499	0.4
148.99132	5.4
152.98636	5.9
164.98616	12.6
167.00215	0.5
171.10326	0.5
188.98636	0.4
196.89377	0.5
197.11844	1.8
206.99623	3.0
225.00726	19.9
226.00954	0.5
255.23192	1.8
265.09033	0.4
281.24811	0.4
413.67114	0.4
453.14667	0.5
479.15833	1.9
537.27368	0.8
563.28577	0.7
735.39899	100.0
736.40240	20.8
736.53473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62925	0.9
61.98810	3.8
63.96233	1.5
68.35562	0.9
69.03433	1.0
71.01383	8.5
73.02921	1.6
78.95853	1.0
78.98586	8.1
79.95737	13.3
80.96513	85.5
81.03462	1.2
85.02930	3.4
87.00860	2.4
94.03905	0.9
94.98083	19.2
96.96007	1.5
97.02974	2.0
100.00556	1.1
101.02417	2.6
103.47669	1.0
106.98077	3.5
122.97615	6.4
125.02396	2.3
127.03990	1.6
134.97604	5.7
136.99167	1.8
148.99118	6.8
152.98624	7.6
156.44652	1.1
164.98621	13.1
184.62845	1.2
190.06116	1.1
197.11884	2.1
206.99675	4.0
225.00714	18.8
255.23215	2.7
334.49551	1.0
479.15884	3.9
537.27350	1.3
735.39874	100.0
736.40173	20.1
747.56512	1.2
748.50244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26042	1.7
55.36712	1.8
59.01368	2.9
61.98822	5.1
78.95914	2.5
81.03536	1.8
81.89563	1.7
83.05059	2.3
88.11764	1.8
97.75960	1.6
110.94133	1.6
127.61060	1.9
145.02869	1.9
155.17212	1.6
209.11797	58.4
209.91869	2.1
210.12216	3.7
227.12907	15.6
228.13222	2.2
229.41631	2.2
235.08179	8.5
253.09271	8.4
253.21698	100.0
254.22124	11.3
330.51657	1.8
341.37100	1.7
415.12729	1.9
445.20953	2.1
475.28766	1.9
489.30582	8.1
717.69409	2.0
735.40826	37.3
736.40710	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	735.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00357	3.6
59.01379	4.4
59.91172	3.6
61.98827	11.6
62.07211	3.9
68.15227	4.2
75.47874	4.3
78.95877	4.1
81.68462	4.4
109.06620	7.2
118.71650	3.9
163.11284	4.9
172.90710	4.0
196.89467	4.7
207.10286	47.8
225.11269	17.5
229.43008	4.1
235.08162	9.6
253.09232	9.6
255.23274	100.0
256.23685	8.6
443.19351	7.9
491.32297	12.7
699.43365	49.0
700.43323	9.8
735.40881	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84053	0.2
59.01377	1.1
61.98828	100.0
63.99262	0.6
69.32638	0.2
71.01395	0.7
71.59062	0.2
78.55968	0.2
79.95747	0.2
80.96538	0.5
94.98086	0.3
96.96023	0.7
101.02458	0.4
113.02482	0.5
116.92834	0.5
197.11923	0.3
209.11829	1.0
210.12184	0.2
210.21782	0.2
225.00714	0.2
267.36771	0.2
391.03079	0.4
399.74188	0.2
552.74115	0.2
633.39648	0.3
640.91840	0.2
677.39355	0.2
693.42340	1.1
737.31378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61858	0.1
61.98826	100.0
66.03397	0.1
71.05015	0.3
80.96535	0.2
84.08574	0.1
119.57375	0.1
164.91861	0.1
221.68521	0.1
283.16205	0.1
363.86627	0.1
386.19534	0.1
736.29883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98827	100.0
71.01376	2.2
71.01720	0.2
73.02932	0.3
73.47845	0.2
76.66338	0.2
78.95911	0.4
83.01388	0.2
84.81168	0.2
85.02967	0.4
87.00884	0.5
89.02454	1.6
89.02919	0.2
95.01392	0.3
95.05048	0.2
96.96015	0.3
97.02978	0.4
101.02434	1.6
102.02753	0.3
113.02454	0.7
116.15954	0.2
119.03499	0.5
125.02465	0.8
129.16653	0.2
138.65915	0.2
143.03569	0.3
161.04587	0.3
171.10262	0.3
179.05612	0.3
195.14046	0.3
207.10292	0.8
209.11885	0.6
211.13403	0.6
225.11349	1.4
231.93687	0.2
235.08325	0.7
236.08540	0.3
253.09453	0.5
277.21692	3.2
278.22018	2.4
291.19650	0.4
293.21332	0.8
345.84521	0.3
397.13455	4.3
398.13739	2.9
399.14270	0.3
415.14658	1.4
416.14703	1.0
461.20554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21001	0.4
54.23632	0.4
59.01371	1.6
61.98806	0.8
63.96232	1.3
69.03445	0.6
69.63586	2.7
71.01381	7.3
72.99337	0.5
73.02943	1.7
78.98581	5.7
79.95733	14.7
80.96512	73.5
81.03443	0.7
85.02940	3.0
87.00863	3.0
94.98079	16.6
96.95997	1.4
97.02936	1.0
98.20582	0.9
99.00855	0.5
99.04541	0.4
101.02460	2.5
106.98087	3.0
113.02446	0.8
113.49155	0.4
122.97569	3.4
125.02441	3.5
127.04011	0.9
134.97592	5.2
136.99100	1.3
148.99100	5.9
152.04169	0.4
152.98634	7.1
164.98622	13.3
165.67986	0.4
165.98964	0.4
167.00204	0.6
168.35716	0.4
182.99631	0.5
206.99690	3.0
209.11809	4.5
225.00720	22.8
226.00917	0.5
283.04926	0.9
307.36304	0.4
341.97391	0.4
509.16968	4.2
510.16971	0.8
640.66693	0.4
650.12585	0.5
693.35638	0.6
737.30542	100.0
738.30811	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	737.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.0
61.98531	1.1
61.98826	15.1
63.96230	1.7
63.99245	0.9
69.03449	0.9
71.01378	14.2
73.02921	2.5
78.95879	1.5
78.98595	8.1
79.95734	45.8
80.96513	100.0
81.03429	1.2
83.01377	1.4
85.02947	4.3
87.00864	3.4
89.02426	1.0
94.98086	20.5
96.96004	10.7
97.02951	1.9
98.19829	1.2
99.00889	0.8
101.02438	4.8
101.06067	0.9
104.69012	0.8
106.98080	4.8
113.02445	1.5
114.71641	0.7
121.51418	0.8
122.97598	4.8
125.02423	3.4
127.03989	1.9
134.97563	6.5
136.99117	2.1
142.97061	0.8
148.99127	7.8
152.98598	6.7
152.99637	1.2
161.04550	1.0
163.11191	1.8
164.98625	13.6
166.59027	0.8
171.10237	0.7
183.13852	1.3
206.99666	4.8
207.10152	1.6
209.11813	6.3
211.13393	8.7
225.00735	23.3
225.11166	1.6
241.00188	0.9
283.04974	1.6
341.05524	1.3
425.14767	1.7
438.03394	0.8
493.17508	1.6
507.15247	1.1
607.27942	27.6
608.28021	4.8
633.40240	2.4
651.40729	1.5
691.29950	18.4
692.30499	2.6
693.42377	6.9
719.29340	15.4
720.29321	2.6
735.29016	2.2
737.30511	57.0
738.30811	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38735	1.7
59.01379	13.9
61.98825	18.3
63.96211	2.0
70.79207	4.8
71.01377	15.2
73.02947	3.4
78.95901	3.6
78.98576	8.4
79.95728	78.4
80.96510	100.0
85.02945	6.3
87.00874	4.9
87.96147	1.6
94.98077	24.9
96.95970	4.1
99.00908	1.7
101.02442	5.5
106.98126	3.0
111.94721	2.2
113.02416	3.2
120.74187	1.8
122.97575	4.7
125.02477	4.1
127.04031	1.8
134.97563	9.6
136.99133	4.4
138.75812	1.6
148.99097	9.6
152.98575	8.5
161.04613	2.4
164.98576	18.3
206.99680	7.1
211.13391	3.2
225.00714	36.5
241.00246	2.7
294.18082	1.7
341.05533	4.1
425.14890	5.8
472.09564	2.1
493.17447	3.8
507.15277	1.8
533.70050	1.7
567.25372	1.9
607.27844	23.5
608.28046	3.4
636.27173	4.1
691.30042	23.7
692.30194	4.8
719.29553	35.5
720.29895	9.0
737.30450	37.0
738.30920	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	737.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15187	1.1
59.01381	17.8
61.98827	100.0
67.95705	1.1
71.01377	13.8
71.58514	1.1
73.02957	2.2
79.95744	4.6
80.96517	7.0
83.01390	1.4
85.02964	3.3
87.83945	1.1
89.02421	1.4
95.01382	1.5
96.96014	5.6
97.02904	1.5
101.02428	5.0
101.63882	1.3
109.06564	1.4
113.02428	3.3
120.09766	1.3
120.99724	1.0
161.04474	1.8
163.11288	2.3
171.10220	2.9
171.64268	1.5
176.38951	1.2
207.10225	3.6
209.11829	24.1
210.12178	2.1
211.13382	1.9
220.58728	1.5
225.00818	2.1
225.11356	3.2
227.12885	8.3
237.14937	25.7
238.15282	1.3
253.09283	1.8
255.16032	7.3
311.09406	1.3
461.19318	1.3
473.24066	2.2
633.39160	2.0
651.40979	1.3
693.41443	1.6
719.29840	2.8
737.35229	10.6
738.34308	3.5
761.74030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
58.00591	1.5
59.01376	32.4
61.98825	3.6
63.79116	0.8
69.03448	2.3
71.01376	26.8
71.06564	2.2
72.99300	2.1
73.02945	5.0
73.35481	0.8
78.62643	0.8
81.03430	1.2
83.01377	3.8
83.05000	1.4
84.02191	0.9
85.02960	6.3
87.00861	7.4
89.02436	23.6
91.52141	0.8
95.01379	2.4
95.06155	0.8
96.68228	0.8
96.96014	1.2
97.02957	6.3
99.00871	2.7
101.02433	23.0
109.06598	5.1
111.04485	1.1
113.02447	12.3
119.03498	6.2
123.04478	1.4
123.31871	0.9
125.02438	10.8
125.06075	1.0
131.03523	1.4
135.08138	1.2
139.04007	1.3
143.03494	3.3
161.04535	5.1
163.11290	2.5
179.05548	4.4
181.12410	1.1
195.13930	1.2
206.92426	0.9
207.10240	12.3
208.10602	0.9
209.11786	11.0
211.13342	2.4
217.07144	1.0
221.06548	1.3
225.11292	7.5
227.12874	1.9
235.08199	10.4
253.09294	5.7
275.20120	2.4
279.23257	84.0
280.23636	8.8
287.07782	2.4
291.19702	8.8
292.19998	1.5
293.21198	13.0
294.21664	1.3
305.08673	3.7
397.13461	100.0
398.13895	7.5
415.14502	32.8
416.15121	2.4
424.28357	0.9
443.19028	1.0
461.20346	2.0
489.44800	0.9
527.28320	1.2
607.85718	1.0
643.77167	0.9
677.37726	3.6
737.41260	7.4
738.40735	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	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
59.01381	7.0
60.03866	0.4
61.98825	100.0
62.98543	1.0
63.99237	0.6
69.03497	0.5
71.01375	3.2
71.59244	0.6
73.02945	1.0
74.45021	0.4
75.00847	0.5
79.95728	1.6
80.02669	0.7
80.96513	3.3
81.03450	0.8
83.01396	0.9
83.05021	4.1
84.02164	0.5
85.02946	1.6
87.00871	0.9
88.98791	0.4
89.02435	1.3
94.98096	0.6
96.95992	4.0
99.00867	0.7
101.02418	2.1
113.02438	2.1
122.97496	0.4
123.63556	0.5
125.06084	0.5
135.08179	0.7
137.02405	0.5
141.12907	0.4
149.23654	0.4
161.04585	0.8
163.11264	2.5
165.12831	2.1
171.10228	0.8
181.12254	0.5
209.11804	99.5
210.12144	6.6
225.00734	1.0
227.12859	15.7
228.13220	1.1
233.72601	0.4
235.08235	1.4
253.09229	4.9
445.20776	3.1
637.32190	1.0
655.32867	0.5
674.60553	0.5
693.36127	0.7
737.29120	2.7
738.31219	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	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.7
61.98818	2.8
71.01381	5.8
71.43062	1.4
71.43414	1.6
73.02929	1.8
79.14455	0.9
80.02664	1.2
81.03437	2.0
83.05014	2.8
85.02952	1.6
87.00870	2.2
89.02432	4.1
96.93619	0.9
96.96009	11.7
97.02942	4.9
101.02428	8.6
109.06577	21.7
110.03706	1.2
111.08170	1.5
113.02416	2.7
121.06561	1.0
123.04481	3.9
135.08145	3.0
136.05249	2.3
137.02361	1.0
142.02730	1.8
145.05092	1.3
149.33327	1.1
161.04506	2.8
163.11258	12.2
171.10165	1.8
179.05560	1.2
181.12292	3.0
182.12453	0.9
189.09154	2.7
195.13881	9.1
207.10237	77.9
208.10573	4.7
209.11807	11.0
211.13403	5.8
217.00146	1.6
223.13420	5.7
225.11287	26.3
226.11681	2.1
227.12874	2.8
235.08337	4.7
253.09247	22.8
254.09627	1.8
256.13153	1.1
267.08725	1.2
275.20096	7.0
289.17944	1.3
291.19589	10.8
292.19861	1.7
293.21204	100.0
294.21552	10.3
307.18906	2.0
317.38321	1.1
443.19159	2.9
461.20343	8.1
462.20715	1.9
483.31003	1.4
527.28345	1.9
529.29919	2.4
535.78937	1.2
719.39758	3.1
737.41016	36.5
738.41364	9.1
755.28345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03440	1.0
59.01375	5.7
61.98820	1.0
69.03453	3.6
69.42151	2.3
71.01379	4.6
71.05017	2.1
73.02942	0.9
78.95928	0.6
80.96507	0.5
81.03457	0.4
83.01402	0.7
83.05020	0.7
85.02957	1.5
85.65542	0.4
87.00905	0.6
89.02451	2.9
95.01402	0.4
97.06601	0.7
98.48504	0.3
99.00852	0.4
99.10615	0.4
101.02441	3.6
107.04987	0.3
111.04504	0.7
113.02480	1.8
119.03509	1.0
123.08173	0.7
125.09705	1.8
130.41689	0.4
151.11284	1.9
153.12866	1.9
161.04538	1.1
161.09724	2.9
171.10294	0.6
179.10762	6.2
197.11819	81.5
198.12180	5.1
205.08684	1.0
209.11758	0.4
223.09723	2.3
225.00874	0.4
225.11189	0.6
228.72516	0.3
235.08194	0.8
241.10793	3.5
245.39117	0.4
253.09192	2.5
255.23184	0.5
277.21710	25.9
278.22092	2.7
279.23062	0.6
424.34064	0.4
433.20612	0.5
459.18668	1.0
471.81018	0.4
477.19626	2.1
478.19916	0.5
508.09787	0.4
737.41095	100.0
738.41437	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00599	0.5
59.01101	0.6
59.01376	6.8
61.98828	1.6
63.50705	0.3
64.74828	0.3
69.03452	4.4
70.73363	0.9
71.01375	5.4
71.05016	1.1
73.02937	1.1
77.72124	0.4
79.22089	0.4
80.96527	1.1
83.01394	0.5
83.05043	0.6
85.02937	2.3
87.00885	0.8
89.02457	2.6
95.01362	0.6
97.06565	0.9
99.00882	1.0
101.02427	3.5
102.52119	0.4
109.06641	0.5
111.04486	0.4
113.02449	2.5
119.03481	0.4
123.08157	1.0
125.02460	0.7
125.09750	1.9
135.08200	0.4
137.09705	0.5
151.11279	2.9
153.12877	0.7
154.53453	0.4
161.09738	4.5
168.37741	0.4
169.12320	1.7
171.10291	0.5
178.45535	0.4
179.10753	7.2
197.11815	39.9
198.12146	1.8
209.11774	1.9
223.09753	1.7
223.70860	0.5
225.11305	1.5
235.08156	1.0
241.10802	1.8
253.09290	2.6
277.21701	53.4
278.22086	4.8
279.23111	0.7
293.21097	0.5
415.37827	0.4
459.18665	1.2
477.19733	2.0
498.47287	0.4
737.41101	100.0
738.41406	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07906	0.3
52.61329	0.3
57.03454	1.6
58.00600	0.4
59.01377	9.2
59.01681	0.5
61.98825	1.2
69.03456	0.6
71.01379	6.1
73.02941	1.3
76.64467	0.3
78.95903	0.3
80.02683	0.9
81.03438	1.8
83.01392	0.8
83.05017	4.9
84.02159	0.6
85.02963	1.4
85.03401	0.3
87.00883	1.4
89.02435	3.5
93.03473	0.6
95.01376	0.5
95.05028	1.8
97.02946	2.4
97.06575	0.6
99.00867	0.9
101.02431	5.5
107.05009	0.6
109.06588	9.6
110.03722	0.5
111.08156	8.9
112.08511	0.3
113.02460	2.6
113.06143	0.3
113.09711	0.4
119.03478	0.9
119.05062	0.3
121.06594	0.7
123.04518	1.6
123.08166	0.4
125.02457	0.7
125.06072	0.4
125.09684	0.4
135.08179	1.5
137.09703	0.8
139.11243	0.4
141.09235	0.4
142.02682	0.5
143.03526	0.5
145.04974	0.6
149.09769	0.4
151.03999	0.5
161.04547	2.5
161.09695	0.8
163.11284	7.9
164.11609	0.4
165.12805	2.0
167.10757	2.2
171.10306	1.4
177.12817	2.0
179.05556	0.7
179.10779	2.1
179.14319	0.5
181.12375	1.8
189.09181	0.6
191.10799	1.4
195.13892	9.7
196.14267	0.7
203.14365	0.5
207.10251	30.4
208.10576	2.0
209.11809	74.7
210.12161	4.6
211.13315	0.5
223.13390	2.3
225.11302	11.5
226.11656	0.9
227.12875	12.5
228.13297	0.8
235.08200	4.2
237.14816	0.3
247.20625	2.6
253.09261	16.3
254.09532	1.0
273.18561	1.4
275.20166	3.3
281.13882	0.5
289.07004	0.3
291.19638	100.0
292.19962	10.8
293.21213	33.9
294.21539	3.7
299.14981	0.6
329.21017	0.6
406.84753	0.3
443.19043	1.3
444.19363	0.4
445.20782	0.9
458.26868	0.4
461.20248	3.2
483.31104	0.6
501.32074	0.7
509.27454	0.6
527.28571	7.8
528.28918	1.2
529.30255	0.8
639.33838	0.4
639.45551	0.3
719.39813	1.8
720.40082	0.4
737.41107	15.9
738.41431	5.4
766.74664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
58.00610	0.2
59.01373	4.3
60.01723	0.2
61.98825	1.3
69.03452	0.4
71.01382	3.1
71.05014	0.6
73.02937	0.6
74.34290	0.2
78.95854	0.2
80.02667	1.3
81.03448	1.2
83.01391	0.2
83.05024	4.6
84.02172	1.0
85.02950	0.9
87.00858	0.5
89.02450	2.0
93.03440	0.3
95.01411	0.4
95.05029	0.9
96.96007	0.3
97.02948	0.5
97.06592	0.3
97.50588	0.2
98.20763	0.4
99.00898	0.3
101.02444	2.8
109.06588	1.6
111.08158	4.0
113.02451	1.4
113.09753	0.4
116.12366	0.2
119.03470	0.5
121.68060	0.2
125.06096	0.6
125.09693	0.4
135.08154	0.8
137.09734	0.4
139.11281	0.2
145.05096	0.3
149.09724	0.5
155.10728	0.3
161.04559	1.0
161.09787	0.2
163.11279	4.5
165.12859	2.2
167.10767	0.8
171.10239	1.0
177.12865	1.0
179.05585	0.3
179.10762	0.9
181.12343	0.7
191.10788	0.8
195.13931	2.4
197.11781	0.3
203.14395	0.3
207.10275	3.7
209.11809	100.0
210.12148	6.5
211.13362	0.4
223.13359	0.3
225.11270	2.5
226.11620	0.3
227.12869	12.6
228.13263	0.8
231.27147	0.2
235.08173	2.7
247.20656	1.0
253.09264	8.0
254.09645	0.5
273.18533	1.1
275.20102	0.5
291.19629	49.4
292.19962	5.4
293.21210	3.1
294.21329	0.3
329.21152	0.4
371.67654	0.2
443.19583	0.3
445.20840	2.3
446.21121	0.3
461.20279	0.9
463.21631	0.2
483.31128	0.3
509.27377	0.8
520.49170	0.2
527.28394	1.7
528.28772	0.3
599.73273	0.2
630.38202	0.2
719.40137	0.8
737.40851	2.0
738.41388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02957	0.3
59.01377	13.9
72.64928	0.2
73.20075	0.2
80.05021	0.2
81.03451	4.0
83.05021	13.3
96.96041	0.3
100.07664	0.2
108.04538	0.5
108.90893	0.2
116.86955	0.2
125.07224	0.9
126.05554	0.3
140.85231	0.2
143.08247	0.5
146.78358	0.2
157.13356	0.2
195.95242	0.2
207.14970	0.7
224.17683	2.1
225.16058	11.5
226.16313	0.7
242.18762	0.3
250.15601	0.3
265.05475	0.2
309.21771	0.5
324.26697	0.3
333.22864	0.6
341.29181	0.5
362.43762	0.2
367.27002	1.2
385.28357	0.2
433.31638	1.5
450.34357	0.8
451.26535	0.4
451.32861	8.2
452.33057	1.4
550.43262	1.1
559.39807	0.6
567.45581	0.3
577.40869	0.4
593.43909	0.5
659.48633	1.9
660.49127	0.4
677.49628	100.0
678.49915	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06100	0.2
59.01375	1.6
61.98827	100.0
63.99288	0.2
64.06152	0.2
70.73726	0.2
70.74048	0.3
71.01386	0.5
73.02934	0.3
73.42594	0.2
78.84161	0.2
79.95729	0.2
80.91705	0.2
82.95411	0.5
85.02975	0.4
87.00892	0.2
96.96006	4.1
101.02448	0.3
113.02451	0.3
116.34930	0.2
128.48021	0.2
129.17603	0.2
132.07503	0.2
148.88568	0.2
165.09282	0.2
181.74266	0.2
209.11783	0.3
246.85878	0.2
259.95892	0.2
279.23489	0.3
450.55475	0.2
491.33719	0.2
621.84235	0.2
738.31531	0.3
738.51343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48478	0.1
59.01374	1.0
61.98825	100.0
62.98533	0.3
71.01372	0.5
72.01688	0.1
78.95898	0.1
82.95425	0.1
83.05007	0.1
85.02994	0.1
87.00850	0.1
89.02441	0.5
96.96003	0.6
98.20738	0.2
101.02460	0.4
102.02784	0.1
109.06563	0.1
113.02444	0.3
119.03513	0.2
125.02419	0.1
179.05534	0.1
207.10201	0.1
208.13863	0.1
209.11842	1.6
225.11348	0.2
227.12868	0.3
235.08241	0.1
235.16945	0.2
236.08632	0.2
253.09320	0.3
275.20200	0.4
277.21655	0.6
278.22052	0.7
279.22336	0.5
280.22607	0.2
293.21286	0.5
305.08975	0.1
380.56070	0.1
397.13559	0.5
398.13815	0.7
399.13889	0.9
400.14410	0.5
415.14633	0.1
416.14948	0.2
417.15228	0.3
418.15469	0.3
454.75653	0.1
570.27509	0.1
729.46545	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
61.98825	100.0
62.98521	0.2
71.01375	1.3
72.99348	0.2
78.95908	0.2
79.95740	0.7
80.96530	0.7
82.95423	0.4
83.05054	0.2
85.02959	0.3
87.00880	0.2
89.02486	0.3
94.98103	0.2
96.96008	0.6
98.19855	0.7
101.02422	0.3
113.02431	0.3
137.49738	0.2
163.11325	0.2
197.11853	0.3
207.10252	0.3
208.10744	0.2
209.11833	1.1
210.12155	0.3
225.11288	0.3
226.11650	0.2
227.12820	0.3
230.53300	0.2
279.23447	0.2
720.30273	0.3
738.31665	0.6
739.31757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1879
Annotation	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
54.20141	0.1
58.97563	0.1
59.01376	1.4
59.54462	0.1
60.37029	0.1
61.98834	0.7
63.02398	0.9
65.00327	0.6
69.70181	0.9
71.01384	0.5
71.04981	0.2
72.99310	0.2
73.02959	0.2
75.00884	0.2
83.01377	0.7
85.02945	0.5
87.00887	0.2
88.98826	0.3
89.02464	0.4
91.01886	0.4
93.03458	1.7
95.01385	0.2
96.95998	1.3
98.19899	0.2
99.00867	0.2
101.02428	0.3
107.01391	2.5
109.02937	0.8
113.02455	0.3
117.03471	1.9
119.01391	0.2
119.05003	1.0
121.03000	0.1
123.00887	0.2
123.04502	0.2
125.02418	0.3
130.04242	0.2
131.05040	0.5
132.02211	0.2
133.02876	0.1
135.00861	1.5
137.02399	0.4
141.07094	0.2
143.05006	1.3
145.02948	5.6
145.06664	0.2
146.03281	0.2
151.00362	3.3
151.04045	0.2
153.01926	0.4
154.04256	0.2
155.04980	0.4
156.05840	0.2
157.06567	1.0
158.03796	0.2
159.04504	1.7
161.02472	0.3
161.06076	0.2
163.00401	2.0
163.04031	0.9
164.01109	0.3
165.01923	0.4
167.05028	0.7
168.05745	0.2
169.01370	0.5
169.06657	0.9
171.04562	0.8
173.02330	0.3
173.06068	0.4
182.03755	0.3
183.04485	0.9
184.05217	0.3
184.22752	0.2
185.06044	2.4
186.06462	0.2
187.03989	3.7
188.04269	0.2
189.05550	1.0
195.04480	0.7
196.05217	0.3
197.06064	0.9
199.03923	0.9
201.05547	0.7
211.03983	1.8
212.04688	0.3
213.05518	2.2
214.02592	0.3
215.03444	0.3
223.04065	0.2
224.04707	0.2
227.03482	5.6
228.03865	0.3
229.05038	11.1
230.05312	0.6
239.03445	1.5
240.04283	1.0
241.04994	1.4
242.05371	0.2
243.03026	0.3
255.02972	8.6
256.03598	1.3
257.04532	7.0
258.04825	0.6
267.02979	1.2
283.02448	1.5
284.03265	5.6
284.06464	0.3
284.32587	0.2
285.04025	100.0
286.04361	8.6
453.14005	3.0
454.14355	0.4
489.84473	0.2
517.17926	0.3
575.14105	1.6
576.14081	0.3
593.14899	1.7
594.15472	0.4
739.18762	10.4
740.18982	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	739.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.3
59.01378	1.4
63.02393	0.5
65.00322	0.7
71.01398	0.8
71.59718	0.5
72.99310	0.5
73.02969	0.4
83.01408	0.7
89.02473	0.4
91.01897	0.6
93.03450	1.8
96.96037	1.1
101.02496	0.5
107.01381	2.1
109.02982	0.9
113.02462	0.5
117.03440	1.9
119.05054	1.6
121.02947	0.5
135.00914	0.9
137.02452	0.7
143.05052	1.5
144.99335	0.3
145.02937	6.1
151.00369	3.1
153.01921	0.5
155.05025	0.3
156.05772	0.3
157.06485	0.6
158.03729	0.4
158.83211	0.3
159.04474	1.7
163.00360	2.0
163.04027	1.5
164.00972	0.4
167.04990	0.5
168.05605	0.3
169.01402	0.6
169.06633	0.5
171.04550	0.6
173.06158	0.4
179.84279	0.3
183.04474	0.9
185.06065	1.9
187.04012	4.0
189.05505	1.1
195.04533	0.7
196.05345	0.4
197.06078	0.7
199.04004	0.7
201.05470	0.7
209.11679	0.4
211.03995	2.0
212.04552	0.3
213.05498	2.2
214.02768	0.4
215.03470	0.4
217.04926	0.3
227.03467	6.2
229.05031	10.9
230.05399	0.9
239.03413	1.4
240.04172	0.7
241.05003	1.7
255.02959	8.8
256.03598	1.7
257.04538	6.2
258.04871	0.6
267.02991	1.1
283.02499	1.7
284.03232	6.3
285.04010	100.0
286.04367	8.1
343.04431	0.6
453.13824	3.1
454.14038	0.7
517.32178	0.7
575.13940	2.0
576.13715	0.5
593.15155	1.8
739.18561	11.2
740.18970	2.7
766.33881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2085
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.01368	1.6
65.00323	1.2
70.62035	2.1
79.95730	9.1
83.01368	1.1
85.02945	0.6
93.03432	2.1
95.95229	1.2
96.96006	6.8
107.01393	3.2
109.02926	0.9
113.02485	0.8
117.03464	0.8
125.02435	1.3
132.02116	1.1
135.00885	1.8
135.08176	0.7
137.02489	1.1
151.00334	4.7
159.04466	1.0
161.02493	0.8
163.00354	3.1
166.94478	0.7
171.04523	1.1
183.04501	1.1
185.06073	2.7
187.03979	3.1
189.05652	1.1
197.06049	1.4
199.03882	1.1
211.04074	3.1
213.05540	2.3
215.03644	0.8
227.03481	39.1
228.03828	2.9
229.05049	10.5
239.03423	1.1
240.04272	1.2
241.05058	1.5
255.02966	64.6
256.03540	8.8
257.04523	8.7
258.04730	0.7
271.02377	0.9
283.99969	1.4
284.03238	77.4
285.04004	100.0
286.04358	9.1
287.09576	20.0
299.01868	1.0
315.01450	1.3
327.04736	1.1
394.70639	0.7
473.17667	0.8
498.56931	0.8
739.20874	81.7
740.21063	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	739.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02658	0.7
53.38026	0.6
59.01382	1.5
62.55965	0.7
62.56317	0.9
63.02392	1.2
65.00315	1.1
67.12543	0.8
69.47131	4.8
69.47533	1.2
79.95731	4.6
93.03472	1.8
96.95978	4.3
107.01392	2.3
113.02520	0.7
132.02147	1.8
135.00777	1.4
143.04962	0.8
146.03549	0.7
151.00348	4.0
158.03703	0.8
159.04512	1.4
163.00362	2.5
169.06570	1.2
183.04466	1.3
185.06062	1.9
187.03880	3.9
189.05473	0.9
196.05217	0.9
197.06097	1.2
211.03975	2.8
213.05458	2.0
227.03474	38.8
228.03957	3.1
229.05045	11.6
239.03459	1.8
240.04124	0.9
241.04984	1.4
244.46919	0.9
255.02962	65.5
256.03534	8.2
257.04550	6.6
267.02817	1.3
269.34933	0.8
284.03244	77.7
285.04007	100.0
286.04355	6.5
287.09592	10.1
409.97546	0.8
441.59952	0.9
607.34729	0.8
739.20844	85.0
740.21185	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77822	1.1
58.04836	1.0
59.01371	15.4
61.98827	100.0
63.99249	1.4
67.69054	1.1
71.01385	5.8
71.74610	1.3
73.02920	1.6
75.00877	1.7
79.95749	2.9
80.96512	11.4
82.95413	3.8
83.05000	1.3
85.02934	1.7
87.00901	1.8
88.98806	6.7
89.02456	2.1
94.98057	2.2
96.96008	7.7
97.02933	1.8
99.00875	1.6
101.02463	3.5
113.02439	3.4
122.16572	1.2
125.02440	1.4
136.04996	1.4
137.02438	1.6
148.99191	1.7
161.04552	1.4
164.98759	1.4
167.03491	3.2
201.79184	1.1
207.10231	5.1
209.11771	12.3
210.12173	1.5
225.00702	5.0
225.11325	6.5
227.12854	3.9
461.20209	2.3
496.96399	1.3
517.30505	1.5
635.30878	3.2
635.40088	1.6
653.31683	7.1
654.32043	1.6
671.32660	5.8
695.40106	2.2
721.30865	3.1
739.32526	26.8
740.32611	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	739.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48700	2.7
59.01382	22.8
61.98826	100.0
66.02099	2.4
70.87143	7.3
71.01350	6.2
78.65419	2.6
80.96515	4.1
82.95408	3.8
83.05003	3.8
85.02964	3.4
96.96003	6.9
97.02967	2.7
101.02412	5.7
109.06577	13.3
113.02415	4.9
161.04620	4.0
163.11319	3.8
171.10254	5.5
188.57918	2.5
207.10263	41.7
209.11790	64.7
210.12090	5.1
223.13371	6.3
225.11278	20.5
227.12877	18.2
235.08023	2.7
236.03061	2.6
245.82501	3.0
253.09236	9.7
271.23270	2.6
305.34555	2.6
325.67499	3.1
335.92178	2.6
399.21805	5.5
443.19254	5.6
445.20499	3.7
447.78558	2.6
461.20108	7.2
530.21057	3.3
625.34387	2.9
635.30646	36.3
636.30981	7.9
653.31769	42.8
654.31720	7.0
671.32788	49.2
672.33069	10.4
739.32928	42.8
740.33429	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24304	0.2
57.03424	0.3
59.01373	4.3
61.98829	0.3
66.81986	0.2
71.01377	3.4
73.02938	0.7
78.23895	0.2
78.95859	0.2
80.02674	0.7
81.03447	1.2
82.89653	0.2
83.01370	0.3
83.05034	4.1
84.02148	0.6
85.02943	1.0
87.00867	0.9
89.02435	2.6
95.01365	0.4
95.05016	0.8
96.95998	2.7
97.06570	0.3
98.20694	0.4
101.02441	3.3
109.06603	0.4
111.08151	0.4
113.02441	1.4
119.03483	0.7
125.06064	0.6
131.03584	0.2
135.08157	0.7
143.03508	0.6
147.11824	0.3
161.04538	1.6
163.11275	3.1
165.12839	1.9
171.10286	1.4
179.05528	0.4
179.14391	0.6
181.12299	0.6
191.10750	0.7
195.13882	7.9
196.14467	0.9
205.12373	0.5
209.11806	100.0
210.12177	6.0
211.13394	1.3
223.13350	4.4
224.13823	0.4
225.11319	0.3
227.12869	12.9
228.13304	1.0
231.21185	0.5
235.08165	2.2
236.08797	0.3
247.29044	0.2
253.09264	19.6
254.09621	0.8
256.13150	0.9
275.20114	8.0
276.20422	0.7
291.19461	0.3
293.21198	94.2
294.21515	8.5
311.99982	0.3
445.20639	1.0
485.32690	0.6
492.21780	0.5
529.30664	1.2
530.30389	0.2
670.35742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03067	0.6
56.48814	0.6
59.01373	5.0
61.98829	1.4
70.01709	2.7
71.01379	5.5
72.99298	0.9
73.02946	1.5
83.05022	1.7
85.02947	1.4
89.02448	3.1
95.01368	0.9
95.05031	1.9
97.02961	1.4
101.02441	3.8
109.05948	0.6
109.06584	3.4
111.04491	1.5
113.02443	2.9
123.08156	0.6
125.09707	1.4
127.11287	1.6
128.48085	0.6
135.08124	0.9
138.63626	0.7
143.03468	0.9
153.09222	0.6
161.04572	1.9
161.09662	1.4
163.11256	3.1
169.12372	1.0
171.10254	100.0
172.10637	4.9
179.05603	1.6
179.10736	1.1
181.12309	0.9
185.11696	1.0
185.46045	0.6
189.09207	1.5
197.11865	0.7
201.11320	3.4
207.10229	12.1
208.10481	0.7
209.11748	1.5
211.13330	2.2
222.69447	0.6
225.11292	43.9
226.11638	3.0
227.12823	0.6
235.08147	3.5
243.12372	1.5
247.84921	0.6
253.09283	10.6
277.21686	69.8
278.22046	7.5
279.22992	0.7
285.15823	0.6
293.21130	1.2
305.80081	0.6
337.44962	0.7
407.19165	2.7
443.19122	2.5
461.20203	10.1
462.20721	1.1
616.15894	0.6
624.73059	0.6
721.41711	4.1
722.41980	0.8
739.42566	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01381	6.1
61.98810	1.3
67.63522	0.5
69.03429	0.8
70.66060	0.6
71.01376	6.1
71.04995	2.5
72.45216	0.6
73.02935	1.6
75.08522	0.6
83.05012	1.0
85.02926	1.3
87.00861	1.4
89.02438	3.0
91.64262	0.6
95.04987	1.0
97.02920	3.1
97.06573	2.4
98.91586	0.7
99.00872	10.1
101.02410	3.4
106.01232	0.9
109.06563	1.6
110.03706	0.8
113.02435	1.8
119.03436	0.9
123.08165	1.3
125.09721	5.6
127.11340	1.0
135.08064	0.8
145.05035	0.8
152.99544	0.8
161.04581	1.5
163.11282	5.9
164.11508	0.8
171.10257	9.9
172.10564	0.8
173.19887	0.7
181.10832	1.1
181.12321	11.2
182.12720	0.7
197.11768	1.4
199.13379	10.5
201.11324	1.1
207.08336	1.3
207.10242	24.9
208.10536	1.9
211.13373	3.1
225.11307	40.0
226.11693	2.2
227.12863	2.1
235.08148	3.8
243.12321	6.7
249.95386	0.8
253.09306	4.3
275.19958	1.4
277.21701	65.4
278.22043	6.3
279.23328	1.0
291.19586	4.6
292.19952	0.7
293.21063	3.6
371.37833	0.9
386.71585	0.7
443.19016	2.1
461.20407	4.8
479.21219	1.5
721.41785	5.3
739.42639	100.0
740.43018	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	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98826	100.0
62.98528	0.1
70.91245	0.1
71.01408	0.1
75.06431	0.1
81.03448	0.1
83.05043	0.1
96.96031	0.1
160.35594	0.1
240.25772	0.1
254.05655	0.1
359.71649	0.1
453.33878	0.1
472.87994	0.1
662.50690	0.1
679.50787	0.3
680.50421	1.3
740.49225	2.2
741.49487	0.6
770.89191	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	2.6
68.18055	0.8
70.42784	1.6
70.43150	1.6
83.01405	1.8
98.19852	1.0
98.67442	0.8
105.25117	0.9
107.01403	4.6
108.02150	2.2
109.02938	2.1
121.02940	3.2
135.00838	0.9
148.01674	1.8
149.02397	0.8
151.00368	15.5
163.00330	3.7
164.01149	1.0
178.99850	6.6
185.02530	0.7
187.03874	1.1
190.99809	0.9
192.00632	0.8
195.96857	0.8
199.04024	1.1
203.03445	1.1
211.03931	1.8
226.02734	1.4
227.03537	3.8
229.05075	1.3
237.42204	0.8
243.02971	14.3
244.03439	1.2
245.04480	2.1
254.02103	3.1
255.02963	33.1
256.03317	2.0
271.02457	74.0
272.02863	5.1
273.04028	0.9
283.02563	1.6
299.01990	2.6
300.02719	63.3
301.03455	26.8
302.03519	1.0
343.04483	0.8
517.72180	0.8
540.78485	0.7
592.49597	0.8
741.18781	100.0
742.18921	10.1
752.74573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30304	0.1
54.53022	0.1
54.68868	0.1
55.51710	0.1
57.77412	0.1
59.01372	0.9
59.74157	0.1
61.98811	0.8
71.01381	0.7
71.15958	0.2
74.29694	0.1
77.84462	0.1
78.95871	0.7
79.95734	3.7
82.95422	0.3
83.05049	0.2
85.02975	0.1
85.90462	0.1
87.00869	0.2
88.98795	0.2
89.02448	0.2
96.96005	100.0
97.95948	0.3
99.00895	0.1
101.02428	0.3
107.21203	0.1
109.06590	0.3
113.02431	0.1
125.02492	0.1
141.22462	0.1
148.70566	0.1
150.06859	0.3
163.07631	0.1
163.11267	0.1
171.10287	0.2
179.10786	0.3
207.10301	0.8
209.11823	0.7
211.13426	0.1
225.11295	0.5
253.09116	0.2
255.03036	0.1
271.02426	0.2
300.02792	0.4
301.03436	0.2
349.23895	0.7
350.24216	0.1
651.30200	0.2
697.41840	0.3
741.19379	0.2
762.78052	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.5
61.98830	2.0
65.32867	1.2
69.58006	8.7
71.01372	1.5
83.05011	2.8
163.11362	1.3
209.11809	100.0
210.12193	8.2
227.12886	22.6
235.08118	3.4
253.09210	4.9
324.02707	1.3
437.78244	1.3
445.20813	11.0
446.20743	1.5
637.32477	3.5
673.33966	1.8
706.62897	1.3
741.34528	29.4
742.35107	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	741.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.0
61.98824	2.1
71.01380	4.4
71.60751	0.7
73.02937	1.3
78.95919	0.6
81.03453	0.9
83.01382	0.9
83.05038	3.9
84.64211	0.6
85.02933	1.2
87.00888	0.8
89.02455	3.0
95.05025	0.9
96.95984	0.5
101.02429	3.5
108.88938	0.5
113.02444	2.4
119.03474	0.7
125.02504	0.6
125.09735	1.5
127.11284	1.8
135.08165	0.6
145.05023	0.6
155.10727	0.8
161.04587	1.3
162.44810	0.5
163.11276	2.5
165.09181	0.8
165.12837	1.2
171.10284	2.3
172.10580	0.6
173.77563	0.5
179.05687	1.0
199.09871	0.6
201.11308	39.6
202.11633	1.8
209.11804	86.5
210.12123	5.2
225.11238	1.7
227.12863	10.8
235.08206	7.7
253.09261	16.1
254.09755	0.7
257.70618	0.5
277.21692	100.0
278.22034	11.0
279.22513	0.9
300.02631	0.9
437.20053	1.6
443.31595	1.0
445.20752	1.6
461.32529	0.8
513.30426	1.6
697.03918	0.7
741.19000	0.7
741.42749	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	743.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98447	0.3
55.01860	0.4
57.03440	0.4
59.01378	3.1
62.10104	0.2
65.00327	0.5
67.01879	0.6
69.47922	0.2
71.01382	4.0
72.99311	0.8
73.02945	0.7
79.01888	0.9
79.95737	0.3
83.01361	0.7
83.05051	0.5
85.02949	1.7
87.00869	0.9
89.02459	1.4
95.01379	1.5
96.96018	1.4
97.02926	0.6
101.02427	2.1
101.06075	0.3
107.01400	2.4
109.02921	0.4
111.00871	2.0
113.02439	1.2
119.03497	0.4
119.05054	0.3
121.02995	0.3
123.00886	8.4
124.01701	0.5
125.02448	10.0
127.00381	0.5
135.04517	0.3
136.98807	0.9
137.02448	0.6
139.00377	3.7
140.01176	2.2
141.01907	0.8
143.03549	0.3
147.04535	1.9
151.00374	7.1
151.03967	0.5
152.00620	0.3
153.01935	0.3
165.05545	0.5
168.00656	2.3
169.01419	15.3
170.01749	0.7
177.04030	1.2
211.02518	1.1
271.04617	0.8
275.01974	0.4
289.07144	0.3
300.99985	0.4
313.05649	1.1
327.10925	2.8
329.05273	0.8
337.14969	0.3
371.13391	1.0
415.12421	100.0
416.12762	11.0
456.30582	0.3
581.22021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.0
59.01379	18.4
61.98832	9.8
65.04022	0.8
71.01375	20.8
71.05018	0.8
72.99299	1.6
73.02955	2.7
75.00877	1.3
79.95720	1.8
83.01363	2.1
83.05025	4.6
85.02945	4.4
87.00876	1.5
88.98818	1.1
89.02440	4.7
93.10477	1.0
95.01382	2.7
95.05012	2.0
96.96007	11.2
97.02973	1.3
98.95583	1.4
99.00872	2.6
101.02442	8.7
104.61759	0.9
109.06579	8.9
113.02442	6.0
119.03435	1.1
123.04546	1.1
125.02411	2.4
125.09711	1.9
125.28198	0.8
127.11261	3.7
129.01990	1.0
135.08144	1.6
136.05287	1.0
137.02475	1.1
137.09692	1.0
149.06087	1.2
150.06793	4.8
151.03983	1.1
155.10806	1.1
161.04549	3.6
161.09685	1.8
163.07646	2.0
163.11250	9.2
165.01909	1.2
165.09163	1.1
165.12849	1.9
169.01408	1.0
171.10248	17.7
175.04018	0.9
179.05568	1.2
179.10797	3.2
181.12337	2.9
190.78123	0.9
191.10683	1.1
197.11763	6.1
199.09724	16.3
199.13391	2.5
201.11299	31.3
203.03568	1.1
207.10255	19.9
208.10600	1.0
209.11806	100.0
210.12114	5.6
217.01242	0.9
225.11304	40.1
226.11635	2.6
227.12881	22.0
228.13245	1.9
235.08110	6.1
243.12305	3.3
253.09261	14.5
275.01913	1.8
300.08676	0.9
300.99796	2.7
315.21774	1.7
373.25696	1.3
390.01828	1.0
390.52466	1.1
391.21475	1.2
407.19473	1.4
417.22815	1.5
435.18753	3.1
443.19290	2.0
445.20859	2.3
461.20309	8.4
462.20599	1.9
479.21573	1.4
495.32993	3.5
497.22540	1.0
609.29279	3.1
627.30042	3.8
635.30426	2.1
645.31195	3.7
653.30109	6.0
654.30450	1.6
671.32751	5.4
672.32751	2.0
683.40149	2.2
689.33875	3.4
690.34174	1.9
699.39691	16.4
700.40082	2.2
707.34448	4.8
714.33258	1.5
725.31714	1.4
743.34589	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	743.331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.9
58.00583	1.7
59.01373	27.5
61.98587	1.0
61.98833	11.9
65.73016	0.9
69.03453	1.8
71.01377	62.3
71.59702	1.2
72.99297	3.9
73.02948	8.4
75.00870	2.3
79.95728	15.3
80.29471	1.0
80.96512	42.2
83.01373	3.9
85.02946	21.7
86.03300	1.1
87.00874	9.4
88.98806	3.6
89.02436	7.8
95.01376	6.8
96.24883	0.9
96.96003	62.8
97.02920	1.3
98.95594	1.1
99.00874	3.7
101.02430	14.5
103.00361	5.8
109.02924	1.0
113.02441	37.2
115.00365	37.4
116.00670	1.2
116.05034	8.2
119.03454	2.1
121.02961	1.5
122.97614	1.4
123.04500	1.4
125.02406	3.3
129.01892	1.2
131.03497	2.9
137.02435	3.2
138.81110	0.9
138.97047	8.7
151.03958	1.6
157.01402	5.9
158.39307	1.0
160.04019	10.1
161.02434	1.1
161.04507	5.0
162.03293	1.2
162.97047	1.7
163.03964	1.1
165.01735	1.1
165.05484	1.4
166.96585	5.0
169.01379	1.6
174.97099	2.0
175.02467	59.5
179.05661	1.2
179.10716	1.3
182.05769	1.1
192.98085	12.9
194.05885	1.6
209.08183	2.5
210.99155	1.7
221.06625	2.6
236.97087	1.7
254.98135	100.0
255.98489	2.8
269.08270	1.5
275.01999	1.4
299.09329	1.5
300.02905	1.7
300.99777	2.2
301.03323	3.1
302.03668	1.4
304.08340	2.8
311.09265	2.1
314.11777	1.5
326.11487	1.8
329.13846	4.6
341.14078	1.5
371.10995	1.3
566.26794	1.4
566.76355	2.6
580.29852	1.0
580.61938	1.1
640.30664	5.6
640.80249	2.3
699.32959	1.5
713.33038	30.5
713.83154	17.2
714.33002	7.5
743.33130	95.2
744.19641	18.1
744.33472	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57893	16.3
78.95889	100.0
88.27247	15.5
139.48811	13.1
142.12764	13.8
150.63136	15.2
152.99593	55.5
155.81381	15.1
181.81003	14.0
182.42529	13.2
196.89723	14.9
209.11888	27.6
211.13351	48.6
277.21735	41.0
281.24847	51.8
283.12762	15.7
283.26477	26.7
431.21835	15.7
447.22141	17.1
452.18265	15.7
743.44965	82.4
744.43719	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19463	0.6
56.93555	0.5
57.03466	0.9
59.01376	7.0
61.98826	35.5
68.99822	0.6
71.01374	4.5
71.61404	0.8
72.99312	1.3
73.02954	2.0
75.00854	0.9
77.99903	0.6
79.95726	1.1
83.01415	0.9
85.02965	2.1
88.98818	1.0
89.02451	2.0
93.03457	3.9
95.01385	0.8
95.05027	1.0
96.96000	8.2
98.95583	0.7
99.00890	1.1
101.02430	3.0
105.03453	0.7
107.05021	0.6
108.02174	0.9
108.66690	0.6
109.02959	1.3
113.02454	2.8
117.03471	1.1
119.03461	0.8
119.05049	1.2
120.01245	3.0
121.02946	8.6
121.06628	0.7
122.02892	1.0
122.03738	15.5
123.00905	1.0
123.04529	1.1
124.01670	1.2
125.02477	1.3
133.02930	2.3
134.03696	1.1
135.04524	4.6
136.01643	12.6
137.02435	3.0
139.04002	1.1
145.02946	2.7
147.04488	0.8
149.02432	23.6
149.06027	1.1
150.03215	94.4
151.00366	3.2
151.04012	18.2
152.01099	0.8
153.05609	0.9
154.02698	0.7
160.05261	1.2
161.02409	1.1
161.06042	1.0
161.09575	0.6
162.03229	0.8
163.03984	2.1
164.04749	4.2
165.05556	100.0
166.02708	10.2
166.05881	5.2
167.03430	1.9
172.05292	1.0
173.06076	0.7
175.02586	1.1
175.03989	3.7
175.07642	0.8
176.04723	0.7
177.01921	1.0
177.05554	1.5
179.03522	0.9
179.05577	1.0
179.10751	1.1
180.04251	5.9
181.05054	15.4
189.05580	2.2
190.02664	0.7
190.06348	3.2
191.03526	1.0
195.06609	80.3
196.06999	4.6
205.04973	1.4
205.08820	0.8
221.08145	0.9
254.98064	0.8
289.07187	0.8
301.10757	0.9
315.08743	0.9
329.10309	1.5
329.13889	2.1
342.10861	1.2
356.12592	1.4
357.09671	2.2
357.13455	7.3
358.13757	0.9
372.11972	2.7
373.12668	1.4
387.14459	39.0
388.14929	5.0
471.76352	0.6
473.16592	1.0
482.07486	0.6
490.16696	0.7
505.18747	1.6
506.18451	0.9
535.19690	30.0
536.20233	5.2
553.20502	1.0
565.20837	1.5
583.21790	35.1
584.22235	6.0
685.40759	1.2
701.35583	1.0
709.27368	1.3
714.25726	0.6
745.33032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14119	12.2
61.98817	35.6
71.57986	14.2
71.58420	23.2
78.95898	24.7
92.92659	14.3
96.96061	18.6
148.68120	18.4
171.10219	16.7
175.96487	16.0
185.47765	14.7
197.11765	57.3
275.02008	35.5
281.24963	30.6
293.21326	19.7
300.99808	33.6
376.52444	21.9
381.51892	18.2
382.02161	16.1
390.02228	63.3
390.52484	100.0
391.02863	34.0
509.29019	27.2
715.39996	15.8
745.39355	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.7
61.98827	13.7
69.06411	3.4
71.01352	4.1
78.95901	10.4
85.87817	3.8
129.35826	3.6
133.04250	4.1
152.99538	6.6
155.14709	4.1
209.11800	58.7
210.12180	6.9
227.12904	13.2
230.65927	3.6
235.08138	6.4
253.09344	8.2
253.21738	6.2
263.20139	100.0
264.20493	7.2
281.24817	11.9
509.28723	13.4
594.46594	4.4
633.47321	4.8
745.38733	27.8
745.50983	5.4
746.39172	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	747.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41462	0.9
55.01873	1.3
56.38861	0.9
57.03443	1.8
58.00583	5.3
59.01378	100.0
61.98831	16.9
69.86189	1.0
71.01381	75.6
72.01723	1.3
72.99309	7.9
73.02950	3.9
75.00869	1.7
83.01391	3.6
85.02953	12.9
87.00871	5.2
89.02441	89.4
90.02808	1.7
93.03435	2.1
95.01368	5.4
96.95998	7.7
99.00898	2.0
101.02439	44.8
113.02446	31.9
114.02797	1.7
119.03494	43.6
121.02964	3.5
122.03765	7.9
125.02437	2.6
126.22892	1.0
126.77916	0.9
131.03493	4.6
135.08185	1.7
137.02400	1.9
143.03526	8.9
145.02972	3.2
149.02443	12.8
149.04535	3.4
150.03227	41.4
151.03764	1.8
161.02454	2.5
161.04565	7.4
162.03230	9.5
163.03954	2.2
164.04797	2.3
165.01913	1.4
165.05563	36.3
166.05907	1.4
177.05565	9.4
178.05855	1.3
179.05621	16.3
179.07147	1.5
180.04279	3.4
195.06622	29.6
196.06943	1.8
242.09613	1.0
257.11914	1.4
270.08902	1.6
285.11218	1.8
289.11151	1.5
298.08395	1.7
301.03751	1.3
310.08374	1.5
313.10614	2.2
325.10709	1.4
326.08145	1.3
341.10294	14.9
342.10797	2.4
356.12839	7.1
357.12503	1.4
359.14883	1.7
361.18442	2.2
371.10284	1.9
371.14969	32.3
372.15283	4.0
519.20190	15.7
520.20831	2.0
585.23120	1.5
746.71747	1.8
747.28436	7.5
748.27533	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	747.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05458	1.5
61.98814	4.2
66.66268	1.4
71.01377	12.5
73.02953	2.4
78.95889	8.0
78.98598	7.5
79.95730	19.0
80.96511	99.0
85.02932	3.1
87.00863	2.4
94.98087	18.6
96.96005	1.6
99.00802	2.1
101.02397	3.2
106.98072	4.6
122.97568	11.9
125.02411	3.3
131.41487	1.6
134.97525	5.6
136.99161	1.9
148.99167	9.1
152.98590	6.8
152.99646	3.3
164.98622	14.7
206.99620	3.4
209.11713	2.2
221.93816	1.6
225.00737	16.9
225.15051	1.7
255.23254	23.1
256.23599	3.4
277.39734	1.6
279.23062	1.9
280.23608	3.1
281.24805	7.8
282.25317	2.7
396.87973	1.7
491.15793	4.8
747.39764	100.0
747.51251	10.4
748.40143	29.3
748.52637	2.9
753.72766	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	748.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44478	0.3
59.01368	1.0
61.98827	100.0
71.01363	0.6
71.06139	0.3
75.00861	0.3
76.17789	0.3
79.05774	0.3
88.98827	0.4
89.02461	0.5
95.15733	0.3
96.96021	2.8
97.02980	0.3
207.10255	0.4
209.11835	0.7
211.13484	1.0
220.17123	0.3
220.86676	0.3
225.11130	0.4
255.23366	0.4
309.20993	0.4
348.37961	0.4
458.21454	0.3
749.41248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
61.98837	4.5
71.01386	3.6
71.60754	0.9
72.99300	3.9
75.00869	100.0
76.01216	1.1
81.03493	0.7
83.05016	2.3
85.02958	0.7
87.00870	1.0
88.98807	0.6
89.02435	0.8
96.96019	4.0
101.02455	1.9
113.02438	1.4
137.02467	0.6
163.11336	1.1
181.77730	0.6
187.22552	0.7
209.11809	72.3
210.12141	4.8
227.12878	12.9
228.13252	1.1
235.08243	1.9
253.09251	4.3
445.20663	2.2
585.75726	0.7
705.38696	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	749.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57959	0.9
59.01390	4.9
60.99295	2.6
61.98827	100.0
70.63987	2.9
71.01391	5.4
73.02957	0.9
73.91596	0.9
75.00873	1.8
78.91898	5.3
79.95757	1.0
81.03440	1.3
83.05031	4.0
85.02912	1.2
87.57152	0.9
88.98798	17.2
89.02443	3.3
95.05013	0.9
96.96007	6.3
98.19830	0.9
101.02459	2.6
109.06583	1.0
109.89261	1.0
113.02451	1.8
125.02389	1.3
137.02475	1.0
147.23051	1.1
149.02394	1.2
161.04562	1.6
163.11250	2.2
165.12820	1.8
165.86151	1.1
183.13895	3.9
184.62212	1.1
193.12361	1.2
197.11882	1.2
207.10231	1.2
209.11818	73.0
210.12138	4.4
211.13377	66.7
212.13713	4.2
225.11273	1.5
227.12903	12.3
227.97507	0.9
228.13318	1.3
235.08278	1.9
253.09286	7.1
445.20749	4.2
447.22104	5.2
621.32123	1.3
623.63788	1.1
639.33423	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	749.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03445	1.1
58.00584	1.0
59.01376	20.3
61.98826	69.3
63.99243	0.7
67.01857	1.0
71.01378	14.4
71.58358	0.8
72.99306	3.4
73.02932	1.2
75.00871	4.8
75.59767	0.6
83.01376	3.5
85.02939	8.0
87.00845	1.4
87.36885	0.6
89.01929	1.0
89.02444	12.6
94.73442	0.6
95.01383	3.9
96.33386	0.6
96.95979	2.1
97.02927	1.2
99.00869	3.2
101.02413	2.2
111.00864	8.9
113.02449	8.2
129.01906	1.1
129.80513	0.7
131.03458	1.8
139.00337	2.7
141.28017	0.6
157.01334	0.8
195.41267	0.6
209.11751	0.9
211.13298	1.1
351.75992	0.8
439.32178	1.2
441.33734	1.1
486.53201	0.7
523.16241	0.7
705.38660	0.7
729.16986	0.7
749.41119	100.0
750.41498	23.8
773.55481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93248	0.6
59.01375	0.8
61.10160	0.5
61.98830	0.9
63.96235	2.0
69.03445	0.6
71.01375	7.3
73.02929	1.9
78.95891	1.5
78.98586	6.8
79.95733	14.4
80.96511	79.6
81.03458	0.8
85.02940	3.7
87.00874	3.2
94.98080	17.3
96.96013	1.6
97.01572	0.5
97.02960	1.7
99.00868	0.7
101.02441	2.8
106.98090	4.3
108.24163	0.6
109.72165	0.5
122.97567	4.7
125.02442	3.2
127.04027	0.9
134.46921	0.6
134.97597	5.4
136.08215	0.5
136.99112	1.4
138.40436	0.5
140.03989	0.6
148.99138	6.5
149.64604	0.6
152.98639	5.9
164.98615	12.6
167.00240	0.7
188.98537	0.6
194.90021	1.3
196.89467	1.2
206.99663	2.3
211.13480	1.5
213.53963	0.6
225.00711	18.0
255.23332	1.9
321.28375	0.5
493.17374	3.6
494.18164	0.7
537.27460	1.7
730.00739	0.6
740.69189	0.6
749.41425	100.0
750.41718	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	749.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	16.8
71.29922	17.7
75.36779	9.1
111.78050	7.9
193.60391	8.2
209.11787	39.5
227.12886	13.3
267.23306	100.0
307.85797	9.3
413.80582	9.2
458.65256	8.8
503.32141	9.3
687.24658	9.5
749.42249	31.4
750.43384	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	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72097	1.2
55.01884	1.4
57.03451	3.0
59.01377	22.0
59.03687	1.3
61.98828	71.3
66.95712	1.3
69.75864	6.1
71.01392	13.2
72.99309	1.9
73.02964	2.8
75.00879	1.2
79.95721	2.4
80.96531	1.7
81.03465	1.5
83.01375	3.7
83.05011	7.6
85.02943	5.4
87.00874	3.8
88.98827	1.4
89.02414	7.1
95.01350	2.2
95.05006	2.3
96.96011	16.9
97.02932	1.6
97.06575	1.5
98.19814	2.5
99.00876	3.0
101.02463	8.5
113.02454	4.9
119.03492	1.9
125.02436	3.8
137.02415	3.4
151.11316	2.4
153.12862	2.0
161.04527	2.8
162.80768	1.6
163.11287	5.8
165.12819	3.2
169.12318	35.2
170.12639	1.7
179.10696	1.7
181.12253	2.3
182.22090	1.7
197.11815	65.8
198.12181	5.2
201.11342	2.0
209.11803	100.0
210.12160	6.0
227.12924	7.2
241.10622	1.4
253.09262	6.0
300.99969	2.7
404.01202	1.5
431.16370	1.8
646.74103	1.6
647.37573	2.3
665.37653	3.9
687.32208	26.0
688.32471	6.0
689.33630	3.0
707.38208	1.9
719.34894	53.1
720.35425	11.7
751.37671	70.1
752.37805	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	752.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15487	0.0
59.01368	0.4
61.98826	100.0
62.05929	0.0
62.98541	0.1
62.99254	0.1
71.01389	0.2
71.59903	0.1
73.02942	0.0
74.77337	0.0
78.91916	0.0
79.95712	0.2
80.96494	0.3
85.02975	0.1
88.98810	0.1
94.98154	0.0
96.96014	0.3
101.02457	0.1
109.06580	0.0
113.02458	0.1
125.02454	0.1
161.04527	0.0
165.01961	0.0
199.99138	0.0
207.10294	0.1
209.11790	0.3
225.00836	0.1
225.11388	0.1
227.12933	0.1
305.58426	0.0
473.00961	0.0
514.02124	0.0
646.37555	0.0
647.20331	0.0
690.41248	0.0
734.28113	0.1
752.29968	0.1
753.30988	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98827	100.0
69.81709	0.1
71.01381	0.2
73.49322	0.1
74.53355	0.1
82.95391	0.2
89.02446	0.1
92.92817	0.1
95.01383	0.1
96.96012	0.8
101.02459	0.1
113.02443	0.2
168.14732	0.1
195.63594	0.1
204.17212	0.1
209.11832	0.7
210.12256	0.2
211.13406	0.1
222.47028	0.1
225.11320	0.1
232.24200	0.1
274.34332	0.1
295.09106	0.1
400.80597	0.1
427.60248	0.1
505.35873	0.1
600.54309	0.1
708.40839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
60.85773	0.7
61.98815	1.6
63.04502	0.6
71.01388	0.9
71.04940	3.1
78.95896	30.3
80.96498	1.1
83.05017	0.8
96.38920	0.6
96.96958	2.9
97.35610	0.7
112.62459	0.6
122.97608	1.6
124.21642	0.6
133.60672	0.6
136.09253	0.6
152.99573	24.2
155.33223	0.7
209.15204	0.8
223.17039	1.5
231.21089	1.4
235.16974	14.1
236.17374	1.1
275.20111	13.8
276.20428	1.7
279.23257	100.0
280.23572	10.3
293.21210	49.3
293.23868	0.8
294.21509	5.3
334.85489	0.7
402.23874	0.6
458.26706	1.9
472.24484	2.7
476.27560	1.5
482.47894	0.7
490.25507	0.8
492.01141	0.7
752.48737	76.9
753.49011	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65005	0.7
57.03415	1.3
59.01378	22.2
61.98827	23.7
69.62202	5.0
71.01378	8.3
73.02937	3.5
79.95732	29.2
80.96514	45.7
81.03455	1.9
83.01353	2.3
83.05025	3.4
84.02130	1.0
85.02947	6.2
87.00883	1.4
89.02435	3.4
94.98113	1.5
94.98775	0.7
95.01386	1.2
95.95242	1.4
96.96004	42.2
97.02957	1.6
99.00864	1.8
101.02440	6.0
106.29768	0.8
109.02982	1.0
109.06592	3.8
113.02421	3.5
119.03477	1.5
125.02409	2.3
137.02419	1.5
143.03491	1.0
152.98700	0.9
161.04544	1.6
163.11275	3.4
165.01880	1.1
165.12842	1.0
171.10246	0.7
179.10774	1.2
179.60606	0.9
181.12267	1.4
199.09695	1.5
203.07121	0.9
207.10239	5.5
209.11806	41.5
210.12241	1.9
225.00595	1.1
225.11292	2.0
227.12836	2.9
253.09224	0.9
278.99850	0.9
307.08514	1.7
416.84317	0.8
489.31848	1.6
505.34930	1.6
525.15973	1.6
649.38953	16.3
650.39221	2.2
651.37628	1.1
667.39734	8.2
668.39612	1.1
709.41608	33.3
710.41907	6.9
753.29987	100.0
754.30389	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03447	2.1
59.01379	69.0
69.03432	1.5
69.23582	10.1
71.01381	49.4
72.99303	4.1
73.02947	22.0
77.39748	1.1
83.01382	7.1
85.02949	18.2
87.00867	8.5
89.02448	27.1
95.01387	6.0
96.96008	5.1
97.02947	2.9
98.20645	2.4
98.95548	1.2
99.00875	4.6
101.02448	30.0
109.02918	1.2
113.02444	32.8
115.04029	1.6
119.03513	9.5
120.45742	1.4
121.02956	1.6
123.04534	1.5
125.02438	4.0
127.72664	1.1
131.03484	2.7
137.02440	1.6
143.03505	2.3
151.00362	1.1
161.04538	6.5
164.11887	1.5
165.05522	1.2
178.02563	1.2
178.74408	1.3
179.05573	2.0
198.56920	1.2
255.02963	1.7
271.02435	3.5
288.32755	1.2
289.07202	1.4
300.02762	7.0
300.99905	4.7
301.03394	3.4
321.72211	1.1
346.77017	1.1
355.21298	1.3
408.01535	1.1
413.75037	1.0
424.28250	1.2
430.62503	1.1
487.25589	15.2
488.25876	3.0
517.26691	2.9
529.26666	4.0
535.27423	4.9
574.22229	1.3
609.14471	10.2
610.15131	2.1
649.30725	100.0
650.31165	20.2
660.89539	1.3
667.31702	37.3
668.31952	6.9
709.32819	33.4
710.32996	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	753.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02935	0.9
59.01380	9.7
61.98828	5.7
63.96233	2.4
66.65949	0.9
71.01381	10.4
73.02943	2.9
78.95905	2.2
78.98597	7.1
79.95733	14.0
80.91669	5.2
80.96514	81.7
81.03416	0.9
83.01358	1.2
85.02955	4.0
87.00875	3.2
91.08302	0.7
94.98078	16.0
96.96002	7.5
97.02936	1.5
100.95526	0.7
101.02463	4.3
101.03006	0.8
101.06081	1.7
106.98085	3.5
113.02432	2.2
119.03481	0.7
122.97557	4.1
125.02449	3.6
128.95900	0.8
134.97607	5.8
136.99135	2.1
137.49457	0.7
143.16037	0.7
148.99113	7.4
152.98657	5.4
164.98616	13.0
167.00230	0.8
206.99666	3.2
209.11780	2.9
211.13382	2.4
225.00713	22.0
226.00977	0.8
241.01048	1.0
311.19003	0.8
493.17322	1.9
509.16418	1.3
541.19379	1.8
633.39465	1.4
693.42407	2.5
709.38824	1.2
721.30627	1.1
753.33600	100.0
754.33990	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03443	0.9
58.00584	0.4
59.01376	7.9
61.98817	1.1
62.05071	0.3
66.44989	0.2
68.75009	0.3
69.03448	0.8
69.39015	2.1
71.01376	5.0
71.05013	0.5
72.99305	0.4
73.02942	1.1
75.00885	0.2
75.68341	0.3
80.02678	1.9
81.03458	2.7
83.01381	1.6
83.05022	6.1
84.02152	1.0
85.02953	1.4
87.00872	1.1
89.02438	3.4
92.79388	0.2
93.03450	0.8
95.01375	0.7
95.05032	1.6
96.95998	1.4
97.02936	3.0
97.06581	2.5
98.20677	0.4
99.00877	0.6
99.08156	0.3
101.02436	5.1
106.04231	0.4
107.05042	0.6
109.02908	0.4
109.06583	10.4
110.03741	0.6
110.06908	0.3
111.00857	0.4
111.04504	0.5
111.08158	2.4
113.02438	2.6
119.03466	0.8
119.08670	0.3
121.06598	1.2
123.04504	2.0
123.08137	1.0
125.02459	0.6
125.06078	0.8
125.09704	3.0
127.07629	0.2
135.08163	2.5
136.05302	0.4
137.06125	0.3
137.09724	1.9
141.12866	0.6
142.02718	0.7
143.03499	0.4
145.05133	0.6
145.06569	0.3
149.06052	0.4
151.11256	0.5
153.12901	0.3
155.73091	0.3
161.04561	2.0
161.09685	1.1
162.10435	0.3
163.11272	12.3
164.08371	0.3
164.11575	0.6
165.09195	0.5
165.12823	3.6
167.10826	0.3
169.12311	1.0
171.10271	1.9
175.11314	0.3
177.12781	0.4
179.05594	0.7
179.10747	0.6
181.12364	2.4
185.11809	3.9
189.09178	1.0
191.10832	1.3
191.14392	2.9
192.14789	0.3
193.12312	0.5
197.11816	10.2
198.12163	0.4
199.13367	0.9
203.14442	0.3
207.10240	27.4
208.10538	1.9
209.11803	100.0
210.12157	7.4
210.14185	0.4
211.13316	2.7
217.15886	0.7
221.11809	0.4
223.09683	0.4
225.11295	11.3
226.11653	1.1
227.12848	12.3
228.13199	0.9
235.08217	3.9
237.11314	1.9
245.19061	7.7
246.19461	0.7
249.15015	0.7
253.09259	15.7
254.09641	0.9
261.18710	0.4
263.20160	2.3
264.20377	0.3
271.17102	1.0
273.18396	0.4
289.18069	33.5
290.18439	3.6
291.19644	5.3
292.19913	0.7
293.21088	0.8
300.99963	0.2
307.19128	27.6
308.19482	3.2
309.20724	14.4
310.21249	1.4
310.41092	0.2
319.18793	0.2
327.19687	0.3
329.21338	0.4
331.19006	0.4
345.20673	0.7
377.60660	0.2
401.23212	1.0
419.24185	0.4
443.19186	1.3
444.19547	0.3
445.20639	1.0
461.20255	3.5
462.21078	0.3
481.28973	0.4
499.30792	1.2
517.31525	0.7
525.26947	0.5
543.28046	1.0
544.28223	0.3
545.29742	0.4
595.78253	0.3
634.84576	0.3
637.32190	1.6
655.34375	0.4
693.35040	0.4
717.38470	0.8
735.39355	1.9
736.39471	0.3
753.40588	11.7
754.40942	2.8
777.81610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89319	0.6
57.03444	2.2
58.00598	0.8
59.01375	13.3
61.22274	0.7
61.98830	5.1
69.03437	1.7
71.01381	10.8
71.05017	0.7
71.37325	0.6
72.99314	1.3
73.02948	2.4
75.00871	10.5
76.01225	1.0
80.02681	2.7
81.03447	4.1
83.01392	1.7
83.05031	7.8
84.02174	0.8
85.02951	2.8
87.00870	2.3
89.02448	4.6
92.65511	0.7
93.03445	0.7
95.01381	1.1
95.05006	1.8
96.96010	1.6
97.02953	5.4
97.06557	3.4
99.00863	2.1
101.02444	8.7
109.06589	24.9
110.03755	0.7
110.06927	0.7
111.08151	7.0
113.02420	3.8
119.03523	1.8
121.06613	1.4
123.04531	2.2
125.09723	3.7
127.07637	1.1
133.06674	0.9
135.08147	4.3
136.05325	0.8
137.09731	1.6
142.02716	2.2
145.05043	1.1
145.10237	0.9
151.11290	2.1
153.12830	1.1
155.10779	0.9
161.04572	3.8
161.09700	2.2
163.11276	18.3
164.11624	1.4
165.12817	5.2
167.79570	0.6
169.12308	2.9
171.10278	2.6
175.11287	0.7
179.05556	1.2
179.10777	2.5
181.12325	6.0
182.12720	0.9
183.13849	0.9
185.11800	1.8
189.09204	2.3
191.10760	2.2
191.14394	2.8
197.11821	34.6
198.12207	1.9
199.13374	2.2
205.60414	0.7
207.10249	72.1
208.10583	4.3
209.11812	100.0
210.12123	6.7
211.13364	6.0
225.11304	28.9
226.11803	1.7
227.12872	15.6
235.08200	7.7
237.11301	0.9
245.19072	6.8
246.19310	0.8
253.09253	26.7
254.09660	1.1
263.20157	7.6
271.17029	1.5
289.18100	21.5
290.18457	2.0
291.19608	11.6
292.20035	0.9
293.21033	0.9
299.14868	0.9
307.19135	30.3
308.19489	2.8
309.20694	47.4
310.21078	5.6
357.67981	0.7
382.13452	0.8
443.19083	3.4
445.20944	3.7
461.20374	9.3
462.20782	1.1
499.30585	0.9
525.27478	1.4
543.28253	2.8
545.30176	1.1
655.33057	0.8
735.39459	2.8
736.39532	0.9
753.40613	30.8
754.41211	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	753.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.5
61.98823	1.3
65.13516	0.5
69.03468	0.7
71.01379	2.5
71.59986	0.6
78.95894	1.0
89.02439	1.6
100.14548	0.5
101.02425	1.8
113.02412	0.9
119.03419	0.6
151.11247	0.6
153.12846	1.4
161.04517	1.3
169.12361	5.7
179.10770	0.8
197.11824	100.0
198.12196	5.8
207.10233	0.9
225.14836	0.5
235.08264	2.6
253.09264	5.6
253.21875	0.7
254.09517	0.7
255.23212	1.4
277.21698	53.4
278.22061	5.0
344.15500	0.6
415.19638	1.5
433.20688	8.2
434.21133	0.8
513.31006	0.7
753.40930	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	755.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98825	0.7
63.02400	3.2
65.00316	5.4
71.01404	0.5
74.99086	0.4
79.69286	0.3
80.96514	0.4
83.01387	3.3
91.01880	0.7
93.03450	1.0
96.96005	2.0
97.23852	0.3
97.57762	0.3
107.01386	10.5
108.02170	1.3
109.02943	3.4
113.02457	0.5
117.03451	1.0
119.01327	0.7
119.05018	4.5
121.02942	7.6
121.03743	0.6
123.00870	0.3
125.02446	0.8
133.02998	0.3
135.00859	1.2
137.02461	0.6
139.03993	0.4
143.05008	0.6
145.02916	2.0
147.00885	0.4
147.04504	0.5
148.01672	1.5
149.02434	1.0
151.00356	37.7
152.00711	1.7
159.04532	1.2
161.02451	0.7
163.00378	3.2
163.03995	4.8
164.01089	1.5
165.05565	0.3
169.01393	1.0
171.04472	0.7
174.03268	0.5
175.04027	1.1
178.99850	19.3
180.00209	0.8
183.04471	1.1
185.02409	0.5
187.03992	1.7
188.04785	0.4
190.99861	0.8
192.00630	0.6
193.01456	0.8
198.03232	0.5
199.03957	2.6
201.01921	0.9
201.05615	1.2
203.03455	1.1
205.05046	0.5
211.03970	2.5
214.02573	0.3
215.03482	1.8
216.04172	0.8
217.05037	0.5
221.59671	0.3
226.02727	1.8
227.03468	5.2
228.03964	0.6
229.04945	1.8
231.02870	0.4
239.03494	0.9
242.02299	0.6
243.02945	11.2
244.03394	1.2
245.04436	2.7
254.02155	1.8
255.02957	24.4
256.03381	2.0
257.04425	1.0
269.33347	0.4
271.02451	60.1
272.02878	5.6
273.03989	2.6
283.02432	2.5
284.03156	0.5
285.03995	2.6
299.01953	13.6
300.02719	73.6
301.03470	100.0
302.03821	7.4
349.16290	0.3
569.57849	0.3
591.13446	5.5
592.13892	1.1
609.14569	11.2
610.14911	2.7
755.18207	64.0
756.18512	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	755.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
59.69415	0.4
61.98828	2.0
63.02387	2.6
65.00313	5.0
67.41921	0.5
69.38753	2.0
69.39174	1.7
71.01392	1.4
80.96500	1.5
82.96105	0.4
83.01378	3.0
84.89742	0.4
85.02925	0.8
89.02432	0.6
91.01894	0.8
91.41827	0.4
93.03458	1.5
95.01410	0.4
95.73656	0.4
96.96003	3.6
99.00897	0.4
101.02442	0.7
101.03419	0.4
101.10990	0.5
107.01393	10.2
107.02123	0.6
108.02195	1.6
109.02950	3.4
113.02455	1.1
117.03460	1.1
119.01399	0.9
119.05025	5.3
121.02942	7.5
122.03339	0.6
124.01660	0.5
125.02470	0.6
133.02895	0.5
135.00912	1.5
139.03996	0.5
143.05009	0.8
145.02940	2.5
147.04546	0.6
148.01613	1.0
149.02452	1.5
151.00359	40.8
152.00682	1.5
155.04955	0.6
159.04514	1.1
161.02448	0.9
163.00359	3.8
163.04004	5.8
164.01146	1.0
166.08058	0.4
169.01422	1.2
171.04446	0.7
173.06090	0.4
175.04025	0.9
176.07887	0.5
178.99854	20.1
180.00232	1.3
183.04486	1.1
185.06049	0.5
187.03975	2.0
190.99850	0.6
192.00684	0.7
193.01334	0.7
199.03986	2.4
201.01942	1.1
201.05589	1.1
203.03372	0.9
211.03908	2.5
215.03462	1.5
225.00873	0.5
226.02693	1.9
227.03447	5.1
228.04013	0.9
229.04968	1.8
239.03513	0.8
243.02928	9.8
244.03441	0.8
244.37212	0.5
245.04533	1.9
254.02193	1.8
255.02957	27.9
256.03403	2.3
257.04620	1.4
271.02448	63.7
272.02881	6.2
273.03983	2.4
283.02322	2.6
284.03265	1.0
285.04016	2.0
299.01950	17.8
300.02725	79.9
301.03479	100.0
302.03870	7.4
331.32144	0.5
469.13269	0.6
591.13654	6.0
592.13745	0.7
601.41626	0.5
609.14557	11.2
610.15118	1.4
651.39111	0.7
755.18213	63.0
756.18445	16.1
774.12909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.28814	0.2
61.98822	0.4
63.02392	1.5
65.00319	0.8
69.38074	0.5
69.38497	0.6
71.01379	1.7
72.99276	0.2
73.02960	0.4
78.98569	0.3
79.95740	0.8
80.96510	4.8
81.33853	0.1
82.20778	0.2
82.95419	0.2
83.01389	1.3
85.02958	0.6
87.00864	0.4
87.45266	0.1
88.98801	0.2
89.02425	0.5
91.01879	0.3
93.03467	1.6
94.98083	0.9
95.01395	0.6
96.96001	1.7
99.00888	0.2
101.02442	0.6
106.98040	0.2
107.01395	3.2
109.02933	0.5
111.00875	0.2
113.02441	1.4
117.03461	4.7
118.03818	0.2
119.05016	2.3
121.02955	0.3
122.97600	0.2
123.00866	0.4
123.04550	0.2
125.02431	0.5
130.04289	0.2
131.04996	0.3
134.97574	0.2
135.00879	0.7
137.02419	0.5
141.07076	0.3
143.03477	0.7
143.05003	0.9
145.02943	21.1
146.03242	1.0
148.99106	0.4
151.00360	6.0
152.98616	0.3
153.01892	0.2
154.04213	0.4
154.53845	0.2
155.05058	0.4
156.05830	0.2
157.06586	0.7
158.03738	0.2
159.04506	1.2
161.02429	0.4
161.04483	0.2
163.00343	1.6
163.03996	5.2
164.01111	0.5
164.04408	0.2
164.98624	1.1
165.01888	0.6
167.05008	0.5
169.01451	1.2
169.06523	0.7
169.08893	0.1
171.04491	0.7
173.02338	0.4
173.06050	0.4
175.04001	0.3
179.05565	0.2
182.03654	0.2
183.04538	0.7
184.05125	0.2
185.06070	2.4
187.03990	3.1
189.05528	0.9
192.00670	0.2
195.04491	0.5
196.05154	0.2
197.06050	0.6
198.03345	0.2
199.04002	0.8
201.05583	0.7
206.99606	0.3
211.03973	1.4
212.04596	0.5
213.05528	2.3
214.02696	0.5
214.05856	0.2
215.03432	0.4
217.05064	0.2
221.79379	0.2
223.03989	0.2
225.00710	1.9
227.03490	4.5
228.03903	0.5
229.05037	9.1
230.05379	0.7
239.03430	1.0
240.04262	0.7
241.05003	1.9
243.02899	0.3
255.02974	5.3
256.03717	1.1
257.04517	6.5
258.04959	0.5
267.02988	0.8
271.06155	1.2
274.65323	0.2
275.07693	0.6
283.02502	0.5
284.03250	3.9
285.04016	100.0
286.04364	8.5
289.07169	0.6
300.02838	0.3
307.08197	1.8
325.09296	0.4
421.11322	0.3
451.12558	0.5
458.36520	0.2
469.13470	3.8
470.13666	0.5
509.16992	0.2
591.13501	0.8
609.14423	3.1
610.14441	0.5
685.13275	0.2
711.28326	0.4
736.90527	0.2
755.18134	4.5
755.31592	8.0
756.18250	1.0
756.31836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	1.1
63.56062	0.3
65.00334	0.7
65.72038	0.3
69.24748	3.6
83.01379	0.6
87.32230	0.3
91.01889	0.8
91.59926	0.4
93.03481	1.6
93.04042	0.3
96.96013	1.2
103.91069	0.4
107.01380	2.4
108.02159	0.4
109.02938	1.0
117.03474	0.6
121.02979	0.6
125.02399	0.5
131.04994	0.4
132.02147	0.4
135.00937	1.7
137.02449	0.5
143.05006	1.2
151.00345	3.2
153.01904	0.5
155.04982	0.4
157.06589	0.8
159.04474	1.6
163.00380	3.6
165.01903	0.6
168.05739	0.3
169.06575	1.3
171.04552	0.8
173.06052	0.4
183.04530	0.7
185.06064	2.9
186.06392	0.5
187.03976	3.6
189.05544	1.2
195.04507	1.0
196.05067	0.4
197.06073	1.2
199.03946	1.0
201.05627	1.0
211.03961	2.5
213.05502	2.7
214.02608	0.4
223.03946	0.7
226.02565	0.4
227.03484	24.0
228.03764	1.9
229.02750	0.8
229.05035	15.2
230.05331	1.3
239.03479	2.3
240.04179	1.2
241.05101	2.1
243.02975	0.6
255.02969	35.9
256.03592	5.4
257.04514	9.3
258.04868	0.7
267.03012	1.0
284.03241	36.7
285.04013	100.0
286.01160	0.4
286.04364	7.6
300.02704	0.6
303.08994	0.9
327.05057	0.7
405.61380	0.3
593.15497	0.5
755.20319	56.3
756.20624	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	755.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.15289	0.6
61.37103	0.6
65.00302	1.4
65.19781	0.6
80.27136	0.6
83.01389	1.2
96.95969	1.0
98.19874	2.0
100.41838	0.6
101.75431	0.6
104.27832	0.7
107.01368	3.7
108.02197	1.5
109.02965	1.3
121.02938	2.3
121.84608	0.6
125.02408	0.6
135.00821	0.8
148.01671	1.9
151.00354	16.6
152.00999	0.6
163.00359	1.8
164.01126	1.1
178.99831	6.9
190.02696	0.7
199.03996	1.2
211.03998	1.2
216.04262	0.7
226.02750	1.5
227.03497	3.3
229.04971	0.9
230.08087	1.0
243.02950	10.8
244.03285	0.7
245.04472	1.4
254.02209	2.4
255.02957	30.3
256.03302	2.2
271.02460	62.6
272.02887	6.1
273.03870	1.3
283.02499	1.3
299.01987	2.3
300.02722	100.0
301.03415	40.4
302.03827	2.5
755.20343	76.7
756.20685	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47780	0.1
56.16578	0.1
59.01376	0.8
61.98824	2.0
68.99574	0.1
71.01368	0.3
71.59776	0.1
76.33587	0.1
78.95907	0.7
79.95730	3.5
80.96523	0.2
81.03470	0.1
83.05014	0.2
85.02966	0.1
89.02504	0.1
96.96006	100.0
97.95959	0.4
101.02412	0.2
107.57418	0.1
112.98580	0.1
163.11320	0.1
171.10382	0.1
197.11780	0.2
209.11807	1.6
211.13351	0.2
227.12798	0.3
257.04480	0.1
265.07449	0.1
291.19916	0.1
309.20654	0.6
674.62531	0.1
711.40857	0.1
755.41626	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17386	1.0
59.01380	10.4
61.98825	39.8
62.81723	0.9
71.01377	12.3
73.02935	1.9
78.91882	1.0
79.95736	4.9
81.03475	1.0
83.05023	2.0
84.95123	2.6
85.02963	1.2
89.02450	3.8
91.82366	1.0
96.96004	100.0
97.02915	2.2
98.95598	1.0
99.00861	2.0
101.02419	3.2
109.06582	7.0
113.02433	2.8
121.06518	1.1
125.09688	2.3
154.02614	1.1
163.11290	5.0
166.21326	0.9
171.10265	4.2
179.06732	1.0
179.10710	1.3
181.12335	5.2
185.57825	1.0
191.72781	1.0
199.13396	3.9
205.08708	2.3
207.10248	22.6
208.10593	1.7
209.11798	24.1
210.12163	2.3
211.13310	2.0
223.09677	2.9
225.11278	24.4
227.12927	4.6
229.71846	1.6
235.08160	2.2
235.13368	5.9
237.14859	3.6
243.12263	4.9
253.09323	6.1
253.14418	3.7
273.17242	1.8
291.19504	1.8
309.20560	5.1
397.20279	1.1
415.21066	2.3
443.19299	1.1
461.20279	7.2
462.20364	1.4
479.21188	2.7
489.23254	1.8
491.33609	1.4
511.23648	1.1
625.29395	1.5
633.29218	1.2
651.30365	5.3
651.39380	1.7
669.31219	7.2
687.32410	11.2
688.32263	2.6
711.42999	1.2
719.34631	4.0
755.33899	3.2
755.77740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.6
61.98825	20.2
69.55852	28.3
71.01376	27.0
74.67236	3.4
78.95894	9.4
79.95742	9.2
80.96513	10.6
85.02942	8.0
96.96012	100.0
101.02464	5.7
105.76663	3.5
109.06602	5.2
113.02451	11.4
115.00352	11.4
158.60670	3.8
169.73090	3.5
173.02867	3.7
175.02457	13.6
177.89392	4.0
207.10236	11.3
209.11856	7.5
225.11272	17.4
254.98085	24.1
443.40356	3.8
452.37827	5.0
497.16339	4.0
633.10608	4.1
651.41083	3.8
669.31067	6.2
687.31964	5.5
711.40283	5.5
719.35809	5.6
755.32312	25.3
756.32727	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	755.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65990	0.3
57.03461	1.5
58.81538	0.3
59.01373	3.8
61.98827	11.5
71.01386	2.3
71.59408	0.4
72.99331	0.4
73.02950	1.5
74.43964	0.3
79.95728	0.9
80.91669	0.4
80.96521	1.4
82.95425	0.9
83.05051	0.5
85.02972	1.5
87.00884	0.7
89.02436	0.6
94.98062	0.4
96.96010	7.1
99.00865	0.4
99.04513	0.8
100.84466	0.3
101.02459	1.0
111.04542	0.3
111.08169	0.7
113.02441	0.9
113.06088	0.7
121.06538	0.4
125.02448	0.4
135.08171	0.8
136.05338	0.7
140.41765	0.3
143.75279	0.3
149.06082	6.3
150.06860	48.5
151.07167	2.5
153.09232	0.6
155.10858	0.5
157.08728	1.2
161.04466	0.4
161.09694	1.1
162.05586	0.3
162.06856	1.1
163.07645	13.4
163.08987	0.7
164.08427	6.6
165.05446	0.3
169.12375	0.9
171.10248	1.2
176.08443	2.1
177.09178	0.9
178.09985	3.9
179.10773	14.3
180.11148	0.8
193.08656	0.5
207.10414	0.3
209.11795	3.6
210.12155	0.5
211.13515	0.4
212.65805	0.3
225.00652	0.4
227.12845	0.4
231.10011	0.6
249.11113	0.5
263.20145	0.7
276.41928	0.3
279.23337	0.8
281.21204	1.1
283.19150	0.3
325.23761	1.6
327.21719	5.7
328.22244	0.5
428.29114	1.2
443.31717	0.7
444.32578	0.6
445.32922	0.5
446.30325	8.5
447.30566	1.3
460.32275	1.6
461.32690	9.6
462.33221	1.8
488.31290	2.2
489.31979	3.0
490.32770	0.7
492.30811	0.6
506.32425	2.1
507.33218	21.5
508.33566	3.9
549.33929	0.3
595.31653	0.4
640.22150	0.4
644.70306	0.4
651.40259	0.5
669.37726	1.6
711.39551	100.0
712.39899	25.8
755.30945	1.7
756.31738	0.6
778.29309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01377	6.6
61.98823	11.2
62.83096	0.4
71.01363	4.2
71.59172	0.6
73.02933	1.1
76.69637	0.4
78.95898	1.9
79.95744	1.1
80.02677	1.2
80.91673	1.6
80.96504	0.9
81.03450	1.1
82.95395	0.5
83.01380	0.4
83.05025	4.4
84.02135	0.5
85.02944	0.9
87.00857	0.7
89.02436	2.7
93.48529	0.4
94.70016	0.5
95.05048	0.8
96.96004	18.7
97.06599	0.7
98.95599	1.1
101.02438	3.3
109.06538	0.7
111.08166	1.5
111.08930	0.5
111.37935	0.5
113.02448	1.7
116.92830	0.6
119.03536	0.6
121.10226	1.4
125.02499	0.8
125.09724	1.9
127.11440	0.5
135.08142	0.6
137.09584	0.5
145.05086	0.8
152.99428	0.5
161.04477	1.2
163.11241	3.4
165.12842	2.8
171.10254	18.9
172.10620	0.5
179.05602	0.9
181.12352	0.7
185.11841	1.9
191.10783	1.2
195.13901	1.4
197.11769	2.0
199.13348	0.7
209.11809	100.0
210.12128	7.3
211.13376	24.4
212.13727	1.8
223.17020	1.3
225.00816	0.6
225.11392	0.6
227.12877	15.4
227.15126	0.9
228.13200	1.4
233.15474	0.6
235.08112	2.6
247.20551	0.9
251.16518	4.7
252.16925	0.7
253.09267	9.0
254.09410	0.7
261.21625	0.5
273.18616	0.9
291.19647	33.1
292.20053	3.6
309.20709	8.8
310.21127	0.6
339.44269	0.5
358.43774	0.5
391.71060	0.5
407.19379	0.7
445.20731	2.4
446.21054	0.7
447.22223	0.9
509.27322	0.5
527.28564	2.1
545.29297	0.6
564.03748	0.5
591.25403	0.5
625.32617	0.5
641.64160	0.5
716.28601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
56.50446	0.2
57.03442	0.4
58.00590	0.4
59.01376	3.8
61.98836	0.4
69.03455	0.4
70.63256	0.4
71.01372	3.4
73.02946	0.6
80.02660	1.0
81.03446	1.0
83.01385	0.6
83.05016	4.3
84.02168	0.8
85.02951	1.0
87.00868	0.7
89.02438	2.4
91.04023	0.2
93.03465	0.2
93.07108	0.2
95.01398	0.4
95.05013	0.5
96.96005	1.5
97.02962	1.1
97.06599	0.3
98.95585	0.7
99.00854	0.3
101.02428	3.2
109.06571	0.5
111.08155	6.0
113.02440	1.7
115.91868	0.2
119.03496	0.8
121.94155	0.2
123.08144	0.3
125.02413	0.2
125.06069	0.5
125.09685	0.3
127.07632	0.2
135.08104	0.7
137.09721	0.4
143.03470	0.5
145.05055	0.4
151.11272	0.3
153.09132	0.3
153.12796	0.7
161.04556	1.6
163.11285	3.7
164.11624	0.4
165.12842	2.6
167.14438	0.2
169.12334	2.8
171.08972	0.2
171.10258	1.3
179.05557	0.5
179.10777	0.3
181.12376	1.5
183.13884	0.4
191.10764	0.8
193.12344	0.5
197.11810	31.4
198.12126	2.0
199.13341	1.7
207.10153	0.3
209.11803	100.0
210.12143	5.9
211.13380	4.7
212.13666	0.2
223.13303	0.3
225.11221	0.4
227.12874	13.7
228.13150	0.8
235.08212	3.0
245.99895	0.2
247.20645	0.6
249.14919	0.5
253.09259	14.5
254.09532	0.7
260.08066	0.2
263.20200	1.5
265.18011	0.8
273.18610	0.8
291.19638	16.2
292.20016	1.5
293.21121	0.5
309.20673	43.4
310.21036	4.8
433.20740	0.5
445.20618	1.2
501.32327	0.4
519.33154	0.3
527.28589	0.4
545.29456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
58.00589	0.4
59.01101	0.4
59.01373	4.4
61.98818	0.4
69.03437	0.5
69.10892	0.2
70.59458	0.4
70.59822	0.4
71.01369	3.0
72.99278	0.2
73.02935	1.0
79.16742	0.2
80.02663	1.0
81.03462	1.1
83.01379	0.5
83.05015	4.3
84.02151	0.7
84.05305	0.2
85.02938	0.8
87.00861	0.7
89.02441	2.4
95.01387	0.4
95.05021	0.9
96.31741	0.2
96.95992	0.3
97.02924	0.4
97.06560	0.5
101.02433	3.5
109.06591	0.7
111.08153	5.2
113.02441	1.6
119.03473	0.7
125.02391	0.4
125.06137	0.5
125.09734	0.2
127.07612	0.4
135.08128	0.4
143.03485	0.3
145.05061	0.4
147.11819	0.3
151.11272	0.5
153.12796	0.8
161.04558	1.6
163.11287	3.4
165.12836	1.8
167.10748	0.3
169.12358	2.1
170.12637	0.3
171.10242	0.9
179.05569	0.6
179.10655	0.3
181.12349	1.2
183.13870	0.3
191.10762	0.9
193.12361	0.3
197.11807	26.2
198.12117	1.5
199.13383	1.7
209.11800	100.0
210.12131	6.9
211.13358	4.8
212.13712	0.3
225.11304	0.2
227.12859	12.3
228.13148	0.6
235.08188	4.1
253.09254	14.7
254.09610	0.8
263.20087	1.5
264.20514	0.2
265.18033	0.6
273.18512	0.6
291.19629	10.9
292.19925	1.0
293.21201	0.4
299.23849	0.2
309.20673	40.6
310.21011	3.6
433.20724	0.3
445.20862	1.4
446.20984	0.3
463.21509	0.2
501.32175	0.6
519.33386	0.4
527.28247	0.4
545.29535	0.9
546.30383	0.2
745.43591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03444	2.1
58.00583	1.0
59.01377	14.3
61.98819	0.9
63.62612	0.5
69.03436	1.5
69.25520	5.6
71.01379	42.4
71.05005	1.0
72.01700	0.7
72.99300	1.1
73.02945	4.3
80.02690	1.4
81.03458	2.3
83.01376	1.3
83.05028	6.3
84.02153	1.5
85.02943	3.6
87.00861	3.3
89.02435	5.8
91.04008	0.6
93.03457	0.9
95.01395	1.6
95.05006	2.2
96.96024	1.1
97.02936	2.8
97.06580	0.9
98.19907	0.9
99.00870	1.9
101.02433	7.4
107.04987	0.8
109.02969	0.7
109.06589	11.4
110.03702	0.8
111.00871	1.1
111.04538	1.3
111.08154	7.9
113.02463	4.5
119.03484	1.2
121.10197	1.0
123.04527	0.9
123.08157	0.7
125.06111	0.7
125.09697	2.6
127.11282	2.0
133.21173	0.7
135.08134	1.8
136.44568	0.6
137.09738	1.0
139.07700	1.3
141.01918	0.6
143.03453	1.8
145.05070	1.3
149.09724	0.7
151.11243	0.9
155.10779	1.2
161.04565	4.4
161.09795	1.4
163.11292	11.1
163.67261	0.6
165.09229	0.8
165.12820	2.5
167.10770	1.5
169.12320	0.7
171.10262	48.2
172.10599	2.2
177.12805	1.1
179.05582	1.2
179.10751	2.3
181.12383	4.5
183.10263	0.9
185.11835	3.1
189.09134	1.6
195.13898	10.9
196.14403	1.0
197.11888	3.2
199.09659	0.9
199.13412	1.6
201.11322	24.3
201.13202	1.2
202.11761	1.0
205.12248	1.0
207.10245	28.5
208.10645	1.9
209.11809	66.6
210.12160	5.7
211.13319	1.8
215.12857	2.0
221.11581	0.7
223.13412	5.6
225.11308	40.4
226.11748	3.2
227.12857	8.7
228.13394	1.2
231.21086	0.8
235.08168	6.8
235.17134	0.8
243.12395	2.3
247.20676	1.1
253.09273	26.3
254.09680	1.8
256.13223	1.1
273.18622	0.8
275.20132	13.0
276.20358	1.4
277.09158	0.7
291.19638	51.3
292.19980	4.8
293.21210	100.0
294.21542	8.7
295.10275	1.9
307.18997	0.7
309.20612	5.6
311.21951	0.8
317.21280	0.8
334.63580	0.6
335.22162	0.7
407.19263	0.7
443.19131	2.3
461.20297	6.8
479.21387	0.8
512.02673	0.8
527.27765	0.8
529.29480	0.9
545.29333	0.7
737.41156	4.6
738.41174	1.6
755.42365	5.6
756.42542	1.0
777.57550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79401	0.8
54.93652	0.7
57.03452	2.5
59.01371	5.6
63.02379	4.6
64.58176	0.7
65.00315	7.7
70.06545	3.6
71.01372	3.6
72.99329	0.7
73.02940	1.5
75.00848	1.2
78.04913	0.7
79.95753	1.2
83.01378	7.0
83.05060	0.8
85.02968	2.7
87.00874	1.4
89.02447	2.2
91.01878	1.4
93.03436	0.8
95.01405	1.4
96.96011	8.4
99.00900	0.8
101.02464	2.3
107.01379	15.9
109.02946	6.4
111.00928	0.8
113.02456	2.0
116.86556	0.6
119.01390	1.6
119.03445	0.8
121.02982	3.2
123.00860	1.0
124.01671	2.4
125.02443	24.6
126.02783	0.9
135.00876	0.9
136.01634	7.7
136.02493	0.8
137.02449	10.4
139.00377	0.8
143.03481	1.6
145.05032	0.7
147.00891	2.3
149.02437	2.3
151.00349	67.2
152.01146	13.6
153.01765	0.7
161.02463	0.7
161.04707	0.7
163.00360	17.6
164.01149	23.0
165.01904	7.6
169.01357	3.6
175.03996	1.7
177.01881	1.9
178.99843	69.5
180.00119	3.1
183.04398	1.1
189.01918	1.2
190.99835	10.3
192.00615	5.4
193.01372	6.0
199.03975	2.1
201.01920	4.8
202.02580	0.7
203.03500	1.4
205.07172	0.7
206.99409	0.9
209.00856	3.9
214.02625	1.1
215.03371	0.9
216.04059	0.7
217.05070	0.7
218.01959	0.7
219.02942	2.3
221.06937	0.7
227.03426	5.8
231.03001	1.8
242.02196	1.1
243.03014	5.8
245.04492	2.1
249.06187	1.1
255.02905	4.5
257.00800	0.8
259.02356	2.0
259.32211	0.7
260.03113	0.9
261.00452	1.0
270.01645	1.5
271.02432	31.2
272.02798	2.6
273.04068	2.2
287.01941	5.2
288.02374	1.3
289.03641	1.6
298.01282	1.4
299.01932	43.5
300.02390	3.8
301.03568	1.5
307.12177	13.5
315.98407	1.3
316.02191	37.9
317.02969	100.0
318.03305	9.1
364.33334	0.7
369.11456	0.8
371.09894	4.7
415.12366	1.7
512.12781	0.7
574.26221	1.7
697.32080	1.6
757.18201	95.4
758.18439	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90149	0.7
57.03416	0.9
59.01379	7.7
61.98819	2.4
71.01375	15.8
73.02921	1.5
75.43745	0.7
80.02675	1.5
81.03468	1.9
82.95414	2.2
83.05019	4.1
84.02163	1.1
84.95143	1.9
85.02940	2.1
89.02447	2.8
89.97930	0.7
95.05045	1.3
96.96004	5.7
97.02943	2.8
99.00873	1.0
101.01846	0.7
101.02419	4.5
109.06583	17.4
110.03722	0.8
110.06910	0.8
113.02437	3.8
115.04004	0.8
119.03518	0.9
121.06647	1.2
125.09731	0.9
135.08163	2.4
161.04567	1.9
163.11269	12.0
163.66608	0.8
165.12793	2.2
171.10220	2.1
181.12308	2.9
185.11751	2.6
187.09709	1.1
189.09248	1.0
199.09715	1.6
201.11301	1.3
207.10246	52.3
208.10556	3.0
209.11804	100.0
210.12149	7.9
225.11293	27.3
226.11574	1.4
227.12854	21.2
228.13197	0.9
235.08180	3.6
243.12430	1.6
245.60002	1.0
249.11256	0.9
253.09264	12.6
254.98106	2.2
265.14557	1.0
273.17151	3.7
326.71204	0.9
369.10031	0.8
369.42621	0.8
373.23874	1.0
399.21722	4.1
417.22794	2.7
443.19223	3.2
445.21011	1.8
461.20264	11.9
462.20615	1.4
627.30444	1.2
635.30322	6.3
636.31012	1.9
653.32056	7.4
654.32343	1.4
671.32703	15.9
672.33215	4.3
704.36462	1.6
757.34839	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	757.401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98465	0.4
59.01380	2.3
61.98822	2.5
64.12784	0.4
66.57137	0.3
69.03421	0.4
71.01375	1.8
73.02928	0.9
79.95705	0.6
80.96510	0.8
82.95422	0.7
84.30917	0.4
85.02947	1.3
87.00868	0.5
88.35566	0.4
88.98810	0.5
96.96006	3.4
97.02979	0.4
99.04498	1.1
101.02454	0.5
113.02439	1.0
113.06071	0.5
115.00410	0.4
116.43783	0.4
125.02409	0.4
127.11257	0.7
135.08116	1.0
136.05299	1.0
137.06023	0.4
137.09702	0.9
149.06064	5.8
150.06854	42.5
151.07222	1.9
155.10759	0.8
161.09691	0.6
162.06828	1.0
163.07626	12.5
164.08424	6.4
167.91704	0.4
175.02458	0.9
176.08380	2.0
177.09219	0.5
178.09979	3.5
179.10756	12.7
180.11067	0.8
209.11868	1.1
254.98172	1.4
283.22693	0.6
309.23663	0.4
327.25433	1.7
329.23300	5.0
359.14951	0.5
430.31021	1.1
445.33340	0.8
446.34088	1.0
447.34521	0.9
448.31808	8.3
449.32181	1.5
462.33356	1.5
463.34277	10.4
464.34558	1.6
490.32990	2.3
491.33545	3.1
508.34058	2.2
509.34772	20.7
510.35022	3.8
510.51288	0.4
556.80359	0.4
671.41003	0.9
713.41113	100.0
714.41437	22.1
714.54279	0.8
757.33569	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	757.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.9
58.92788	1.1
59.01375	6.9
61.86827	1.0
61.98806	3.2
62.62274	1.0
66.58951	1.1
69.28730	1.0
70.30604	1.1
71.01379	67.8
71.59859	1.3
78.95890	4.4
83.01383	1.0
87.00879	1.6
89.02454	1.7
99.00851	1.3
101.02436	4.4
109.06559	4.3
111.87635	1.1
113.02411	3.0
119.03461	1.0
125.09685	2.7
127.11274	1.5
142.02698	1.2
152.99579	1.8
161.04558	1.5
163.11250	3.3
171.10262	41.7
172.10561	2.0
181.08702	1.6
181.12271	2.6
199.09740	9.2
199.13335	1.3
201.11317	8.1
207.10236	16.5
209.11858	3.6
225.11334	10.5
235.08185	5.8
243.12239	1.5
245.69781	1.0
251.20319	1.3
253.09230	9.1
277.21695	100.0
278.22061	11.3
293.21317	1.2
295.22598	2.1
311.22369	1.2
344.10321	1.2
423.20593	1.1
461.20093	2.0
695.40381	1.3
721.41467	6.4
739.42828	2.4
757.43646	11.2
758.43866	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	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.9
58.77118	0.6
59.01380	7.8
59.04359	0.5
61.98824	1.7
62.84599	0.5
63.72247	0.5
68.99564	2.1
71.01377	100.0
72.01710	1.2
73.02927	1.4
78.95910	1.6
85.02958	1.1
87.00861	2.2
89.02441	2.8
95.01405	0.9
97.02948	0.8
98.20667	1.0
101.02428	3.5
109.06570	3.1
112.98572	2.8
113.02469	3.2
114.93409	2.1
115.00362	3.2
119.03542	0.8
125.09717	1.9
127.11284	1.9
137.09740	1.0
152.99619	0.7
153.09131	1.1
155.10728	0.9
161.04530	2.0
163.11237	2.7
171.10255	71.3
172.10576	4.1
181.08620	1.0
181.12334	1.5
186.01736	0.6
197.11865	0.8
199.09731	9.5
199.13425	1.5
201.11340	8.8
202.11703	0.7
207.10237	11.6
208.10674	0.6
215.12793	0.7
218.97246	0.7
225.11314	8.8
226.11548	0.8
235.08211	4.0
243.12393	0.8
253.09279	10.6
254.09511	0.7
254.93506	0.6
277.21695	80.6
278.22043	7.5
433.25827	0.6
435.18701	1.2
461.19949	1.9
513.08582	0.6
559.08936	0.7
721.41443	2.8
722.42010	1.4
757.43518	7.2
758.43970	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88404	0.9
57.03437	3.4
59.01380	9.3
59.55466	0.9
61.98833	3.6
71.01379	18.8
71.53165	2.1
73.02945	2.7
78.95902	2.7
81.03484	1.1
83.01375	1.2
83.05023	3.6
85.02963	2.9
87.00877	2.0
89.02455	3.2
96.96008	2.7
97.02966	0.9
99.00899	1.5
101.02462	7.2
109.06590	4.3
113.02444	2.7
113.09722	10.3
125.06106	1.0
125.09753	1.8
127.11353	1.3
137.09814	1.2
139.11324	1.2
157.69551	1.0
161.04596	1.7
163.11304	5.2
171.10262	28.6
172.10588	1.0
179.10655	1.1
179.14326	1.3
181.12299	2.6
185.11801	2.2
195.13890	12.8
196.14290	1.1
197.11752	1.1
201.11298	11.1
207.10214	13.1
209.11809	46.0
210.12190	3.0
211.13429	1.0
215.12807	1.4
225.11296	21.5
226.11537	1.5
227.12863	4.6
233.22922	1.1
235.08211	3.1
243.12396	1.5
253.09293	21.9
277.21689	12.8
278.22110	2.2
293.21210	46.1
294.21555	4.4
295.10165	1.6
295.22757	100.0
296.23117	11.9
321.98532	1.0
443.19247	1.1
461.20544	2.8
469.21002	1.1
542.16071	1.0
739.43115	4.6
757.43750	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	759.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.5
61.98815	5.4
69.91656	1.5
71.01376	4.2
75.77937	1.2
78.95916	2.6
80.51640	1.2
83.05004	2.9
89.02454	2.1
98.19732	2.7
101.02420	3.1
109.06537	1.4
113.02453	2.7
149.76520	1.3
152.99612	1.5
161.04558	1.6
163.11279	2.4
165.12897	1.6
205.40575	1.2
207.10194	3.5
209.11813	67.0
210.12158	4.0
225.11388	1.3
227.12830	20.2
229.17955	1.7
235.08209	8.2
253.09390	8.4
253.21689	100.0
254.22127	7.3
263.43597	1.3
277.18835	1.9
277.21695	20.3
278.22208	2.3
327.98087	1.4
427.87692	1.4
445.20847	2.0
447.82562	1.4
463.21790	2.1
489.30212	1.7
576.19446	1.3
721.41498	2.4
723.43414	3.9
724.43646	1.9
759.41302	5.2
760.41357	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	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	39.0
71.62284	8.8
76.21824	9.4
78.95911	29.5
84.68324	9.2
101.25994	9.1
108.50321	9.9
109.06580	12.0
152.99628	18.8
207.10234	42.5
225.11339	26.6
253.09190	18.0
255.23196	21.3
256.36096	10.7
279.23248	100.0
280.23672	21.2
299.32959	12.1
309.03629	8.7
344.77667	9.7
349.96274	8.7
723.43280	44.9
724.42920	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	759.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	86.9
71.59142	19.0
72.84450	16.8
78.95895	47.0
89.10348	13.9
96.95969	16.2
109.06574	24.6
152.99567	30.9
207.10237	100.0
209.11760	21.7
224.97684	14.1
225.11281	47.3
228.81076	13.8
253.09259	23.7
255.23224	21.3
261.81955	15.1
279.23251	94.5
280.23758	18.7
461.20163	16.7
507.78189	14.4
543.02814	19.9
723.43317	76.7
761.94037	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97508	0.9
59.01370	7.9
60.15201	0.9
61.09692	1.1
61.98822	6.3
71.01382	3.8
71.78560	0.9
85.02941	1.4
87.00868	1.1
89.02444	2.0
97.02952	3.2
101.02452	2.9
109.06604	10.4
113.11046	0.9
146.02580	1.5
163.11270	7.8
178.09961	0.9
189.09151	2.8
207.10249	41.6
208.10661	2.5
225.11317	11.9
235.08214	6.3
253.09290	7.1
255.23286	100.0
256.23657	6.9
384.34518	1.1
443.19220	2.1
456.59332	1.2
457.18610	1.1
461.20242	2.4
487.30417	1.1
491.32208	3.3
582.79565	1.2
699.43292	22.4
700.43750	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	760.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.73875	0.6
80.96509	0.3
91.22079	0.2
125.90090	0.2
170.74397	0.2
170.76031	0.2
207.10205	0.3
209.11819	0.3
253.21796	0.4
255.23433	0.3
279.23154	0.2
281.25156	0.3
303.55722	0.2
586.19867	0.2
676.21552	0.2
785.86481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02310	0.7
55.51752	0.8
57.03434	1.9
58.00582	1.0
59.01376	19.9
61.98824	3.6
62.88047	0.9
63.02335	0.9
68.99815	1.1
71.01378	21.4
71.59128	1.1
72.71406	0.7
72.99302	2.7
73.02937	1.1
75.00867	11.3
76.74006	0.9
83.01389	3.0
85.02953	9.0
87.00861	2.7
89.02442	7.0
95.01405	4.0
96.96016	4.4
99.00867	11.2
101.02441	11.1
113.02450	7.3
119.03488	2.7
154.16527	0.8
161.04585	1.0
189.86867	0.9
300.99945	1.3
389.24655	1.1
390.02258	1.2
391.52896	1.1
419.29675	0.8
421.31009	1.0
429.25836	0.9
761.41077	100.0
762.41309	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4112
Annotation	Ilekudinoside P
Peak:m/z	Relative Intensity
53.10269	0.3
55.01851	0.9
57.03454	1.2
58.00576	1.1
59.01374	19.0
61.98807	1.1
67.01860	0.4
68.99804	1.4
69.03436	0.5
71.01376	22.6
71.06690	0.5
72.01710	0.4
72.99306	2.1
73.02949	1.7
75.00867	11.0
78.95876	0.3
83.01375	2.4
85.02944	9.2
86.03262	0.4
86.91328	0.3
87.00871	2.3
87.93678	0.2
89.02438	8.8
95.01379	4.4
96.95982	1.0
97.02917	0.7
99.00870	10.7
99.01521	0.5
101.02432	11.3
111.00844	0.6
112.01648	0.5
113.02437	7.9
115.00319	0.4
117.09598	0.3
119.03503	1.9
125.02448	0.3
129.01929	0.4
131.03464	0.3
139.00273	0.5
143.03503	0.3
146.92859	0.3
157.01378	0.9
160.99332	0.3
161.04510	1.1
207.10182	0.3
279.07132	0.3
376.02509	0.3
407.29611	0.7
421.31091	2.2
422.31464	0.4
423.32660	4.5
424.32886	0.8
491.35541	1.5
492.35068	0.3
543.35052	0.3
581.35052	0.6
611.93512	0.3
760.16345	0.3
761.41058	100.0
762.41406	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	761.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87961	0.6
61.98835	0.9
63.96225	1.4
69.03437	0.8
71.01381	6.2
73.02951	1.9
78.98581	5.8
79.95737	10.1
80.96515	64.5
81.03457	0.6
85.02935	2.8
86.00138	0.7
87.00870	2.1
94.98085	14.4
96.95988	1.6
97.02977	0.8
100.10101	0.6
101.02444	2.5
106.98091	2.7
122.97591	3.2
125.02429	2.6
134.97589	4.9
136.99159	1.2
144.44522	0.6
148.99127	5.9
152.98625	5.5
161.78908	0.6
164.98625	9.2
206.99651	2.3
223.13445	0.7
225.00728	16.4
253.66522	0.7
255.23305	2.2
281.84055	0.6
461.13257	0.7
486.94910	0.7
505.17703	1.6
537.27325	1.1
761.41412	100.0
762.41736	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	761.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.8
61.98826	23.1
71.01392	2.2
82.17068	2.2
89.02397	2.2
180.86737	2.3
209.11813	100.0
210.12094	7.3
227.12892	23.1
253.09291	8.1
255.23372	3.5
277.21640	6.0
278.22137	3.8
279.23260	61.1
280.23624	6.3
364.69562	2.4
445.20798	7.7
530.85895	2.4
594.33392	2.3
626.02277	2.4
761.42517	32.9
762.42664	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	761.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49678	1.9
61.98831	16.7
77.35544	1.7
80.96532	2.2
90.89100	1.9
98.19820	3.3
101.02486	2.6
115.45746	1.9
136.77559	1.8
158.25398	1.8
209.11809	57.4
210.12097	4.5
227.12869	15.5
234.61169	2.3
235.08182	7.1
253.09227	7.5
255.23309	4.3
279.23264	100.0
280.23715	9.5
353.16891	2.0
357.63150	2.2
445.20938	3.6
515.32190	4.9
761.42194	28.6
762.42865	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	761.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72684	1.3
56.36376	1.5
61.98827	100.0
71.01379	2.2
71.59139	1.9
80.96519	2.6
82.19670	1.4
88.41234	1.7
116.63668	1.4
138.70284	1.5
171.10223	2.1
197.11784	1.8
206.50978	1.5
209.11882	9.5
226.22357	1.6
227.12891	2.8
264.30774	1.5
277.21753	2.9
279.23279	13.5
280.23325	1.7
281.24771	5.6
421.72513	1.6
507.21210	1.8
515.32855	1.6
761.40393	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	762.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59416	0.1
61.25373	0.1
61.98828	100.0
62.98534	0.2
71.01395	0.3
78.24761	0.1
78.67046	0.1
78.98608	0.2
79.95734	0.5
80.96515	3.1
87.00936	0.1
88.73785	0.1
94.98094	0.7
96.29179	0.1
98.20682	0.2
101.02425	0.1
106.98138	0.1
114.55671	0.1
120.03423	0.1
122.97591	0.2
134.97621	0.1
148.99132	0.3
152.98618	0.3
164.98685	0.5
206.99757	0.2
210.22928	0.1
225.00771	0.8
229.35112	0.2
255.23547	0.2
336.77560	0.1
499.58093	0.1
652.74188	0.1
763.39374	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	762.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06507	0.1
61.98827	100.0
62.05909	0.1
66.27370	0.1
71.59198	0.1
80.96504	0.5
94.51270	0.1
94.98084	0.1
105.70670	0.1
148.55983	0.1
198.14310	0.1
225.00783	0.2
227.13071	0.1
253.21884	0.1
277.21869	0.2
278.22229	0.1
661.65552	0.1
670.06226	0.1
763.39026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98545	0.2
65.47414	0.1
70.33303	0.3
80.96525	0.2
97.43508	0.1
98.19933	0.1
148.50334	0.1
189.78320	0.1
196.29738	0.1
210.12187	0.1
225.00786	0.1
253.21741	0.1
254.21996	0.1
417.15555	0.1
576.81683	0.1
763.39984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82074	0.9
55.01862	1.5
57.03401	0.9
59.01374	14.1
71.01376	15.7
71.58840	1.5
71.59202	1.1
72.99284	1.0
73.02939	3.4
79.95734	19.7
80.96522	1.1
83.01389	2.8
85.02953	7.4
87.00887	2.1
89.02453	5.2
95.01388	2.2
96.96004	13.9
99.00874	1.7
101.02449	8.2
102.81005	0.9
111.00875	1.1
113.02461	5.0
119.03509	1.8
121.02959	2.9
125.02410	1.5
149.02586	0.9
150.92816	0.8
157.51718	0.9
159.04558	1.3
235.60883	1.0
268.07245	1.3
269.08163	3.4
281.08215	4.4
282.08984	2.2
282.85117	1.2
283.09708	3.2
299.09238	2.8
305.10641	4.6
314.11594	3.7
315.12338	2.1
326.11462	4.9
327.12161	2.8
329.13895	7.7
341.13995	5.1
352.05359	1.0
357.12970	0.9
473.18228	1.2
476.16949	4.1
477.17783	1.5
488.17090	1.4
491.19199	21.7
492.19620	2.0
503.19241	7.2
504.19214	1.4
653.24225	1.7
763.21185	100.0
764.21497	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	763.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
60.99303	16.7
61.99645	0.2
63.40067	0.1
63.75636	0.1
70.44493	0.1
70.63917	0.3
70.64246	0.1
71.01382	0.2
87.00896	0.7
88.00388	0.9
88.98801	100.0
89.02430	3.5
89.99127	1.0
96.95999	0.5
171.10323	0.1
209.11806	3.5
210.12106	0.4
221.66841	0.1
227.12799	0.6
228.13116	0.2
253.09279	0.2
497.49814	0.1
544.71259	0.2
707.50635	0.2
720.56744	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44794	0.4
59.01370	0.6
59.28270	0.4
61.24897	0.4
63.96235	1.2
69.03456	0.5
69.28947	0.8
69.29350	2.8
71.01381	8.8
73.02554	0.4
73.02927	2.2
78.18853	0.5
78.98593	5.5
79.95734	11.9
80.96515	72.1
81.03451	0.8
82.86724	0.4
85.02950	3.4
87.00870	2.6
94.98088	15.6
96.96016	1.0
97.02964	1.8
99.00869	1.1
101.02425	2.4
106.98088	2.9
114.14537	0.4
122.97596	2.5
125.02444	2.5
127.04016	0.6
134.97586	5.4
136.99135	1.4
148.99126	6.0
152.98627	6.3
164.97302	0.8
164.98631	11.6
188.98537	0.5
206.99695	2.1
207.10236	0.9
218.89540	0.5
225.00734	20.6
226.00864	0.6
230.06133	0.5
255.23187	1.4
283.04990	0.5
507.15536	2.3
537.27173	1.5
763.39368	100.0
764.39697	23.1
788.29279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
63.96247	1.6
69.03458	0.7
71.01377	8.2
71.46683	0.7
73.02944	1.5
75.04958	0.3
78.98588	5.9
79.95731	12.7
80.96512	72.8
81.03456	1.0
83.01386	0.4
85.02943	2.6
87.00871	2.5
89.05323	0.4
94.98085	18.3
95.01330	0.4
96.95998	1.5
97.02935	1.9
99.00878	0.6
101.02426	2.7
106.98082	3.5
107.03932	0.4
109.06587	0.5
122.97588	2.9
124.98788	0.4
125.02428	3.6
127.03983	1.0
134.97581	5.8
136.99103	2.1
146.97533	0.6
148.99144	6.5
152.98637	5.7
164.98616	13.4
166.03450	0.3
167.00168	0.5
179.00217	0.4
189.00226	0.4
206.99669	3.2
207.10284	1.0
225.00722	22.6
226.00960	0.6
255.23248	2.2
256.17111	0.4
316.77240	0.3
337.68771	0.4
437.74210	0.4
440.11255	0.4
507.15506	2.9
537.27289	1.3
763.39343	100.0
764.39697	25.5
764.50977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
59.01375	19.9
61.98831	9.7
69.25119	1.0
71.01379	25.6
72.99267	2.1
75.00872	11.8
83.01378	2.2
85.02949	8.6
87.00863	7.1
88.00402	1.8
88.98798	3.9
89.02445	9.5
90.15780	1.1
95.01389	4.2
97.04219	1.0
99.00887	10.8
101.02448	12.5
107.88732	1.2
113.02450	8.5
119.03453	1.5
127.77300	1.1
133.78712	1.0
161.02464	1.1
170.39308	1.1
209.11864	1.4
288.64783	1.1
363.04318	1.3
423.32941	3.0
493.36816	1.8
635.35986	1.4
763.42682	100.0
764.42920	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73466	0.4
55.01860	0.6
57.03435	0.7
58.00593	1.0
59.01376	21.0
61.98809	1.9
67.01855	0.6
68.99799	2.1
70.73016	1.4
71.01382	21.0
72.01672	0.5
72.99300	2.2
73.02940	1.3
75.00467	0.6
75.00871	10.8
75.51280	0.5
79.95734	1.1
83.01393	2.5
84.02211	0.4
85.02939	8.3
87.00872	2.1
89.02439	9.2
92.50737	0.4
95.01388	3.8
96.96007	32.8
99.00876	9.9
101.02439	10.8
113.02444	7.5
119.03481	1.8
134.66505	0.5
157.01382	1.2
161.04465	0.9
213.77678	0.5
223.14487	0.5
372.54486	0.5
389.28418	0.7
423.32532	2.6
424.32935	0.8
425.34036	0.6
460.93756	0.6
493.37262	2.2
549.58789	0.6
583.36401	0.8
763.42670	100.0
764.42975	22.2
764.57111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03439	1.7
58.00586	1.1
59.01377	21.2
60.99006	0.6
60.99302	11.5
61.98826	50.5
68.99805	1.6
71.01382	22.6
71.27388	0.7
72.99300	1.9
73.02928	2.2
75.00864	10.6
77.94283	0.6
83.01373	2.5
85.02950	8.4
87.00862	2.4
88.00375	0.7
88.98799	54.9
89.01929	1.0
89.02438	10.7
89.02946	1.1
95.01363	3.5
96.96000	1.8
97.02942	0.8
99.00875	9.4
101.02437	11.4
113.02446	7.0
118.81097	0.5
119.03468	1.4
137.38571	0.6
157.01373	1.0
161.04510	0.9
184.14365	0.6
197.11848	3.1
201.14096	0.6
209.11795	4.6
211.13344	1.4
227.12875	0.6
297.19894	0.7
315.79721	0.6
423.32520	2.1
493.36707	1.7
531.91217	0.6
616.89667	0.6
763.42664	100.0
764.43005	27.6
764.57172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46027	0.1
59.01367	0.1
61.98829	100.0
62.98527	0.2
63.96223	0.1
69.03468	0.1
71.01388	0.8
71.34140	0.2
73.02944	0.2
78.98595	0.9
79.95733	1.5
80.96514	8.2
87.00883	0.3
90.07840	0.1
94.97485	0.1
94.98089	1.9
96.56737	0.1
96.96012	0.2
97.02949	0.2
101.02459	0.3
106.98087	0.4
122.97591	0.4
125.02454	0.3
127.03965	0.1
134.97562	0.5
136.99164	0.2
141.54936	0.1
148.99110	0.8
152.17751	0.1
152.98653	0.9
164.98613	1.5
206.99716	0.4
209.11847	0.4
225.00716	3.0
255.23308	0.4
256.23755	0.2
495.60233	0.1
509.16931	0.4
537.27313	0.2
764.39374	0.1
765.40924	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	764.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01665	0.7
59.01377	6.7
61.98827	100.0
62.98547	0.7
63.99246	6.1
67.38969	0.7
71.60569	0.9
78.95904	11.4
80.96516	2.2
81.03459	1.5
83.01385	0.8
83.05034	3.1
84.02187	0.9
89.99902	0.7
107.91205	0.7
149.29050	0.6
152.17734	0.6
152.99583	1.2
163.11282	3.6
165.12881	2.1
168.04250	3.5
184.87839	0.7
185.80254	0.9
191.10797	1.7
209.11803	43.8
210.12221	2.9
223.13350	1.6
224.07039	1.9
227.12839	6.1
241.14445	6.6
255.23273	38.7
256.23816	2.2
267.18295	0.7
419.25757	0.8
431.41483	0.7
480.31088	1.7
559.21313	0.7
690.43420	49.8
691.43781	13.3
704.45166	4.8
705.46692	1.2
764.39453	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	765.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.0
60.99306	17.6
61.98817	1.0
65.59679	0.3
71.01366	1.0
71.12391	0.7
72.57475	0.3
85.02964	0.4
87.00861	2.5
88.00400	3.2
88.98804	100.0
89.02440	23.2
89.99131	1.0
113.02433	0.5
165.15388	0.3
179.23138	0.3
203.22595	0.4
277.21762	1.1
294.10782	0.4
384.16974	0.4
397.13635	1.9
415.14795	0.8
470.24298	0.3
764.42621	0.5
765.26550	0.4
765.43677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.05265	0.4
61.98826	4.0
69.03439	0.3
71.01364	2.5
72.99279	0.4
73.02938	0.3
80.02670	1.2
81.03442	0.9
83.01425	0.5
83.05027	4.0
84.02159	0.6
85.02932	0.5
88.98792	1.1
89.02421	1.4
93.03516	0.3
95.02190	0.4
96.96017	1.7
101.02407	1.7
108.04546	0.6
113.02415	0.8
119.03472	0.4
125.06036	0.6
127.20902	0.3
161.04547	0.8
163.11288	3.5
164.11572	0.4
165.12816	2.1
171.10245	1.1
179.05598	0.7
181.12366	0.6
191.10776	1.0
209.11806	100.0
210.12141	6.7
227.12857	14.5
228.13182	0.7
235.08159	1.6
247.13220	0.5
253.09253	4.5
445.20654	3.7
446.21371	0.4
463.22003	0.8
526.52740	0.4
543.28455	0.5
637.32104	0.7
698.48218	0.3
705.33966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.5
58.84542	0.4
59.01378	2.1
63.96232	1.3
69.03456	0.8
70.81888	1.0
71.01371	7.5
73.02943	1.2
78.98585	6.8
79.95731	11.3
80.96511	71.1
81.03439	0.9
82.96104	2.3
87.00855	2.5
90.36578	0.4
91.26291	0.4
94.98080	15.4
96.96033	0.9
97.02944	1.8
101.02458	2.2
106.98068	3.2
122.97578	4.4
125.02420	3.0
127.03967	0.7
134.97577	5.6
136.99146	1.2
146.97585	0.7
148.99141	6.1
152.98607	5.3
164.98611	13.6
165.98784	0.4
166.45500	0.5
188.98537	0.8
206.99677	2.8
209.11800	7.1
225.00729	21.2
225.02974	1.0
226.00970	1.0
255.23250	1.3
277.21683	4.8
318.20117	0.6
341.70444	0.4
365.20477	0.5
509.16666	2.9
537.27289	1.5
546.09406	0.4
765.40826	100.0
766.41174	23.9
766.51801	0.4
766.55872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
60.30508	0.5
61.98856	0.5
63.96233	1.9
69.03439	1.0
69.41624	0.5
71.01379	7.8
73.02942	1.7
78.98591	7.2
79.95734	14.7
80.96513	87.3
81.03460	1.0
81.95290	0.5
87.00858	2.9
94.98083	20.7
95.01413	0.4
96.96011	1.0
97.02946	2.2
98.20634	1.4
99.00868	0.6
101.02427	3.5
106.98103	3.4
122.97572	4.1
125.02415	3.1
127.04021	1.1
134.97569	6.5
136.99126	2.2
146.97530	0.5
148.99138	7.4
152.98630	7.2
164.98616	15.4
167.00150	0.7
206.99634	3.0
209.11781	1.7
225.00722	27.4
226.01039	1.2
255.23236	2.0
283.04996	0.7
322.79645	0.5
429.68103	0.5
451.18393	0.6
509.16849	4.2
537.27490	2.2
544.31866	0.5
546.64984	0.5
546.74542	0.5
576.51935	0.6
765.40948	100.0
766.41278	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	765.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63111	0.3
55.01871	1.1
57.03439	1.3
58.00593	1.0
59.01375	21.2
60.99298	0.5
61.98828	6.1
67.01894	0.9
69.03471	0.5
69.58070	1.2
69.58504	1.3
71.01376	23.0
71.11444	0.4
71.33785	0.3
72.99305	3.0
73.02936	4.1
73.76228	0.4
75.00868	3.1
76.93708	0.3
83.01381	4.2
84.75227	0.4
85.02944	12.6
87.00877	3.2
88.98812	2.3
89.02436	11.4
95.01379	4.1
96.96001	2.8
97.02953	2.2
99.00874	3.4
101.02437	11.5
111.00874	6.5
113.02441	11.0
116.40139	0.5
119.03471	1.2
125.02424	1.3
129.01929	0.9
131.03488	1.5
139.00368	1.3
143.03499	1.0
159.02937	0.5
161.04543	3.6
209.11703	0.7
211.13359	0.6
215.23991	0.4
221.06635	0.6
307.06711	0.4
441.33850	0.6
455.34991	0.6
589.54114	0.4
603.38983	1.4
692.92242	0.4
765.44250	100.0
766.44507	24.6
767.16522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.98827	100.0
62.98521	0.2
71.01372	0.2
80.96527	0.1
81.03587	0.1
88.98819	0.5
96.96010	1.5
101.02446	0.1
103.27098	0.1
113.66070	0.1
118.88035	0.1
202.01508	0.1
209.11729	0.2
229.54175	0.1
230.22200	0.2
324.75403	0.1
336.88797	0.1
766.42188	0.2
767.39844	0.1
789.89215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
63.02390	1.1
65.00333	1.0
70.02656	1.1
70.03069	2.0
75.88393	0.6
79.95745	1.1
83.01359	0.6
93.03468	1.5
96.96019	0.8
97.02943	0.7
103.47122	0.6
107.01366	3.0
109.02961	1.1
132.02249	0.8
135.00893	1.7
143.05031	1.1
143.63550	0.5
151.00342	2.9
157.06612	0.5
159.04533	1.1
161.02463	1.0
161.06219	0.7
163.00365	2.8
165.01846	1.0
169.01443	0.8
169.06682	0.7
171.04474	0.8
173.06067	0.8
183.04529	1.4
185.06064	2.3
186.53101	0.6
187.04039	2.9
189.05576	0.9
196.05389	0.7
196.47791	0.8
197.06075	1.5
199.03989	1.4
211.04004	3.6
213.05504	2.3
227.03479	40.0
228.03836	2.8
229.05029	10.6
229.07224	0.8
230.05383	1.1
239.03500	2.2
240.04123	1.0
241.05016	1.7
243.96808	2.0
255.02966	70.0
256.03510	9.3
257.04492	6.9
258.04962	0.8
267.02887	1.4
283.02594	1.0
283.06204	0.6
284.03247	72.9
285.04013	100.0
286.04352	8.2
289.07236	1.2
300.02747	1.3
309.80490	0.6
327.05069	1.1
437.12262	1.0
448.52826	0.6
449.12418	0.9
467.13434	2.2
484.97696	0.6
615.09863	0.7
713.28284	0.6
725.19299	3.0
767.20349	65.6
768.20709	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	767.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
60.65385	0.5
63.02387	0.6
65.00337	0.6
71.60033	0.8
74.60945	0.5
83.01405	1.0
85.02986	1.5
93.03481	1.9
96.96006	4.8
107.01396	2.2
109.02970	1.3
111.71912	0.8
113.02515	1.0
125.02461	1.3
132.02216	0.7
135.00891	1.2
137.02477	0.8
143.05031	1.5
145.02907	0.6
151.00371	3.4
151.03946	0.8
153.01956	0.7
157.06572	0.7
159.04514	0.8
163.00365	4.1
167.04971	1.0
171.04547	0.9
183.04416	1.2
185.06085	3.2
187.03970	3.2
189.05565	1.2
195.04541	1.0
197.06055	1.7
199.03906	1.1
201.05609	1.3
202.45685	0.5
208.75195	0.6
211.03920	3.5
212.04634	0.8
213.05548	2.1
227.03476	35.5
228.03912	2.9
229.05048	14.5
230.05304	0.6
239.03513	2.5
240.04114	1.5
241.05023	1.9
255.02974	51.7
256.03558	7.5
257.04556	7.8
258.04919	0.7
267.02875	1.1
284.03244	49.6
285.04007	100.0
286.04416	7.7
289.07175	1.2
327.04803	0.9
329.13885	1.1
439.10651	2.0
522.17346	0.6
725.19189	2.7
726.18195	0.8
767.20190	60.7
768.20691	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	767.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.92319	0.1
61.98829	4.8
67.23040	0.1
68.65733	0.1
71.01371	0.5
71.05548	0.3
73.02934	0.2
75.00830	0.1
78.95911	0.4
79.95736	3.6
82.16749	0.1
85.02917	0.2
89.02402	0.1
90.99498	0.1
96.59052	0.1
96.96008	100.0
97.49388	0.2
97.49978	0.1
97.95917	0.3
101.02460	0.2
120.80315	0.1
207.10233	0.2
209.11787	0.3
766.45258	0.2
767.45142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
56.76126	1.0
57.03432	4.0
58.00590	4.3
59.01378	73.1
61.13290	0.9
61.98834	8.5
69.03458	2.1
69.42068	3.9
69.42493	5.8
71.01379	61.7
72.99305	5.7
73.02943	13.9
75.00861	3.8
80.96500	1.3
83.01394	10.2
84.95059	1.1
85.02953	28.6
87.00881	6.3
88.98787	1.6
89.02444	24.3
89.59685	1.1
95.01373	6.6
95.05076	1.3
96.96011	23.8
97.02959	4.2
97.06570	1.9
98.95596	1.3
99.00883	6.7
99.04565	1.2
101.02441	31.6
109.02894	1.7
111.00879	3.2
112.01620	1.6
113.02448	31.1
119.03497	9.7
119.67664	1.2
124.01730	1.6
125.02445	8.8
132.65694	1.2
136.79120	1.2
137.02373	1.4
143.03490	3.9
149.02464	2.0
150.03201	1.7
151.03955	2.8
151.11292	1.1
159.02977	1.9
161.04504	3.7
163.04007	1.7
165.05574	3.1
169.01376	1.6
171.13850	1.5
179.05724	1.8
179.07204	1.3
195.06589	2.2
289.06949	1.7
320.00488	1.2
357.26407	4.1
362.19360	2.6
483.29745	3.2
501.30649	12.6
502.30774	1.8
519.31592	14.5
520.32056	2.4
554.45062	1.4
561.33002	2.6
647.26910	1.5
647.36578	2.0
663.35925	100.0
664.36188	17.7
665.37189	2.8
681.36920	56.7
682.37354	12.7
696.65277	1.3
723.38281	35.5
724.38422	8.9
767.35870	2.2
781.05621	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	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44715	0.8
55.01871	2.3
57.03438	3.5
58.00578	2.3
59.01375	71.7
60.99904	1.3
61.02931	0.8
61.98817	7.1
69.03442	1.4
70.61725	0.9
71.01376	51.4
72.01741	1.7
72.99311	3.0
73.02946	9.0
75.00873	1.6
79.95782	1.0
80.96534	1.0
82.95448	1.2
83.01378	4.5
85.02943	22.2
87.00877	6.1
87.04485	1.2
89.02442	27.1
95.01371	6.5
96.96004	13.1
97.02943	2.6
98.95576	1.1
99.00854	3.4
101.02441	29.1
111.00877	1.1
113.02448	23.1
119.03500	8.1
123.04517	1.0
125.02452	4.9
137.02444	1.8
143.03491	3.0
143.86137	1.0
151.03888	1.4
157.12341	2.1
161.04561	3.5
165.01900	1.8
165.05502	1.0
167.03517	1.2
179.05502	1.9
195.06557	1.5
198.94345	1.0
229.69682	1.1
300.99954	1.1
321.24411	1.3
357.26276	3.3
483.29294	1.9
501.30692	10.2
502.30603	1.8
519.31726	8.8
561.32434	1.3
575.31006	1.5
647.36914	1.4
663.35925	100.0
664.36249	19.8
681.36914	55.9
682.37360	10.9
723.38019	39.5
724.38281	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	767.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
56.76126	1.0
57.03432	4.0
58.00590	4.3
59.01378	73.1
61.13290	0.9
61.98834	8.5
69.03458	2.1
69.42068	3.9
69.42493	5.8
71.01379	61.7
72.99305	5.7
73.02943	13.9
75.00861	3.8
80.96500	1.3
83.01394	10.2
84.95059	1.1
85.02953	28.6
87.00881	6.3
88.98787	1.6
89.02444	24.3
89.59685	1.1
95.01373	6.6
95.05076	1.3
96.96011	23.8
97.02959	4.2
97.06570	1.9
98.95596	1.3
99.00883	6.7
99.04565	1.2
101.02441	31.6
109.02894	1.7
111.00879	3.2
112.01620	1.6
113.02448	31.1
119.03497	9.7
119.67664	1.2
124.01730	1.6
125.02445	8.8
132.65694	1.2
136.79120	1.2
137.02373	1.4
143.03490	3.9
149.02464	2.0
150.03201	1.7
151.03955	2.8
151.11292	1.1
159.02977	1.9
161.04504	3.7
163.04007	1.7
165.05574	3.1
169.01376	1.6
171.13850	1.5
179.05724	1.8
179.07204	1.3
195.06589	2.2
289.06949	1.7
320.00488	1.2
357.26407	4.1
362.19360	2.6
483.29745	3.2
501.30649	12.6
502.30774	1.8
519.31592	14.5
520.32056	2.4
554.45062	1.4
561.33002	2.6
647.26910	1.5
647.36578	2.0
663.35925	100.0
664.36188	17.7
665.37189	2.8
681.36920	56.7
682.37354	12.7
696.65277	1.3
723.38281	35.5
724.38422	8.9
767.35870	2.2
781.05621	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	767.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77493	1.1
59.01382	0.9
63.96239	2.0
71.01383	8.3
73.02956	1.7
78.95879	3.0
78.98589	7.3
79.95734	13.1
80.96510	80.4
82.96096	2.8
85.02937	3.9
87.00867	2.8
90.56154	0.8
94.97480	1.0
94.98086	17.5
96.96020	1.5
97.02953	1.5
101.02447	2.5
106.98082	2.6
122.97619	4.5
125.02431	3.4
127.03969	1.5
134.97551	6.7
136.99110	1.5
140.11989	0.8
148.99117	7.2
152.98593	6.7
152.99646	1.4
164.98604	12.6
165.98827	1.0
188.98799	0.9
196.89299	1.5
197.11775	1.6
206.09470	0.9
206.99542	2.5
225.00726	23.0
226.01041	1.0
255.23184	2.1
255.42291	0.9
279.23322	7.6
303.02493	0.9
309.20865	2.4
511.18417	3.5
537.27643	1.6
767.42365	100.0
768.42432	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86600	0.6
57.06005	0.6
59.01377	14.7
59.36528	0.6
61.98826	36.6
63.99244	5.0
65.95802	0.8
69.03447	0.9
69.32053	5.5
71.01375	7.4
72.01728	0.8
73.02948	1.1
77.04226	0.6
78.95917	0.7
78.98586	3.2
79.95743	6.3
80.96513	31.7
80.98163	1.3
81.03483	0.8
81.95317	4.4
82.96097	16.4
82.96944	1.8
85.02948	3.4
87.00885	2.4
89.02425	1.2
94.98084	8.3
96.97675	3.1
97.02953	0.8
99.00895	0.6
101.02451	2.9
106.98065	1.1
108.97665	1.1
113.02444	1.8
116.73104	0.7
122.97636	0.8
125.02444	1.1
134.30428	0.6
134.97615	1.9
136.97160	1.2
148.99156	2.6
152.98637	1.6
154.98241	0.8
161.04515	0.9
164.98631	4.4
165.98883	0.9
166.98221	2.3
167.14476	1.0
183.13918	4.8
193.12276	1.5
206.99742	1.3
208.99184	1.0
209.11969	0.7
211.13379	100.0
212.13736	6.4
215.90001	0.6
225.00722	6.9
226.01100	2.2
227.00346	4.8
235.08186	2.0
253.09280	7.1
275.20004	0.8
277.21707	61.4
278.22049	5.7
293.21234	1.3
312.49594	0.6
429.21173	1.2
444.69925	0.7
447.22250	6.3
448.22696	0.9
511.16776	1.4
513.30481	1.0
539.27551	0.6
707.15948	0.7
767.41168	64.5
768.41248	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	768.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37550	0.1
59.01359	0.1
61.98825	100.0
62.98528	0.1
65.03633	0.1
75.26464	0.1
80.96519	0.1
83.21290	0.1
86.14455	0.1
86.98169	0.1
93.51692	0.1
94.58263	0.1
96.96017	0.3
123.47684	0.1
196.08507	0.1
214.06593	0.1
271.94318	0.1
278.26721	0.1
300.72873	0.1
489.10675	0.1
545.53241	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98826	12.6
62.98523	0.1
71.01374	0.3
78.95899	0.3
79.95732	3.8
80.96513	0.5
85.02932	0.1
87.00856	0.1
94.98083	0.1
96.96004	100.0
97.95937	0.3
98.20662	0.2
101.02422	0.2
175.02400	0.1
180.62300	0.1
209.11827	0.2
225.00732	0.1
225.11179	0.1
250.25165	0.1
254.98061	0.3
311.09396	0.1
341.13663	0.2
616.97815	0.1
738.80542	0.1
769.33136	0.6
770.33209	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01377	3.5
61.98827	29.4
62.57669	0.5
63.96240	1.8
69.03440	0.8
69.57901	2.7
69.58314	1.2
71.01380	9.8
73.02956	2.0
78.95923	1.0
78.98577	6.8
79.95732	13.9
80.96513	82.9
81.03441	1.0
83.01392	1.1
83.05011	0.8
85.02949	3.2
87.00873	3.5
89.02454	0.5
94.98084	19.3
96.96004	6.2
97.02940	2.1
99.00886	1.1
101.02444	2.8
106.98089	3.5
109.06585	0.5
113.02452	1.2
122.97573	4.2
125.02438	4.7
127.03941	0.6
134.97589	4.8
136.99121	1.6
148.99135	6.4
151.43210	0.5
152.98622	6.7
163.11258	0.6
164.98615	15.8
171.98405	0.5
188.98759	0.7
203.03775	0.6
206.99664	3.7
209.11806	5.8
225.00726	27.3
226.01031	0.7
268.99683	0.5
283.04910	1.0
289.07080	0.6
348.43311	0.7
445.73938	0.6
486.66577	0.6
509.16809	3.1
541.19061	1.6
591.25568	0.6
614.98492	0.5
725.40320	0.8
728.74170	0.6
737.30371	0.9
741.60199	0.7
769.33118	100.0
770.33502	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	769.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
56.58112	1.3
57.03441	4.3
58.00603	3.2
59.01376	68.0
60.01705	1.5
60.99300	1.9
61.98827	9.4
66.45615	1.2
67.18430	1.3
68.78202	1.2
69.03446	2.6
70.45439	5.1
71.01380	53.8
71.63880	1.2
72.12140	1.3
72.99310	5.4
73.02943	12.7
75.00867	3.5
79.95731	4.7
80.96526	4.2
83.01403	10.2
83.37563	1.7
85.02949	21.2
87.00866	7.2
88.98820	2.8
89.02438	17.5
93.03492	1.5
95.01382	7.6
95.97615	12.6
96.96011	32.7
97.02943	4.1
98.20597	2.2
98.95594	2.9
99.00902	8.1
99.04530	1.7
101.02435	31.4
105.11156	1.4
108.21228	1.5
108.63697	1.7
109.02986	2.0
111.00903	4.1
112.01630	2.4
113.02445	23.4
113.03167	2.7
116.92899	1.6
119.03490	5.6
119.04974	1.5
121.02894	1.7
124.04877	1.4
125.02434	8.3
128.76375	1.4
129.01939	2.3
137.02417	3.9
141.12851	1.8
143.03497	3.2
149.02463	2.2
151.00389	2.2
153.01860	1.5
159.03001	3.6
159.34558	1.3
161.04556	2.7
165.05569	1.7
169.12306	1.7
171.13916	2.4
179.05560	1.9
185.11862	1.6
187.13406	5.0
201.14943	7.4
219.13950	1.7
255.03111	2.0
256.52600	1.6
275.02142	1.6
284.03226	1.9
289.07159	2.0
359.27985	3.4
360.28036	1.6
498.33197	1.6
503.32104	11.2
504.32220	2.3
521.33228	10.4
665.37421	100.0
666.37775	22.5
683.38422	62.6
684.38959	12.5
725.39594	45.9
726.39600	11.0
769.26782	1.9
769.38898	2.5
770.31219	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	769.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67044	1.8
55.01887	1.7
57.03128	1.8
57.03432	5.4
59.01379	21.8
61.98816	3.4
66.27254	2.1
68.99812	4.5
71.01379	100.0
71.60119	3.1
72.99294	4.3
73.02953	4.3
79.83496	2.6
81.03469	3.6
83.01383	6.4
83.05002	7.4
85.02949	6.4
87.00862	5.5
89.02433	8.7
92.92813	4.3
95.01385	2.4
95.05029	3.5
96.96017	4.6
97.02935	12.1
97.06567	5.9
99.00864	1.9
101.02445	14.2
107.05052	3.7
109.02957	2.0
109.06601	9.7
110.03753	2.9
111.00851	2.6
111.04526	19.8
111.08154	2.8
113.02448	9.0
123.04494	4.0
123.08163	5.4
125.02480	2.3
125.09695	14.1
135.08153	4.2
137.09688	5.3
151.11287	3.1
153.09152	7.8
155.10768	12.1
161.04605	4.7
161.09732	11.9
163.11282	14.6
165.09196	4.2
165.12810	4.8
169.12411	2.3
171.10258	66.8
172.10609	4.3
177.09174	6.1
179.10780	17.1
181.12274	6.1
183.10213	7.2
185.11809	10.4
187.09792	3.2
191.10757	2.6
191.14374	2.7
195.10248	2.6
197.11832	15.0
199.09766	4.2
201.11298	11.3
205.08661	17.6
207.10226	26.5
208.10422	1.9
209.11812	91.1
210.12151	5.2
211.13362	4.7
213.11273	13.0
221.11865	2.3
223.09734	51.5
223.13228	2.6
223.74113	2.2
224.10130	3.0
225.11292	29.6
227.12872	13.0
235.08183	9.8
237.11226	2.3
241.10727	4.4
243.12122	2.8
245.19070	4.4
247.20726	4.2
253.09280	27.9
279.19778	2.4
287.16608	2.9
289.18124	18.7
291.19644	30.7
292.19913	3.6
305.17563	9.9
307.19229	16.4
309.20679	54.7
310.21024	4.7
323.18570	7.2
407.18921	2.8
419.18982	3.9
441.17480	2.7
459.18744	8.6
461.20145	7.3
463.71686	2.1
645.92902	1.9
751.38940	18.0
752.39709	3.5
769.40002	25.4
770.40210	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	769.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97563	0.9
56.26647	0.8
59.01371	8.6
61.98820	2.3
69.46439	0.8
71.01371	3.4
71.51242	1.2
74.56540	0.8
78.95887	1.4
85.02950	1.0
89.02430	1.8
96.95962	1.6
101.02426	2.3
108.04646	0.8
109.40876	0.8
113.02417	1.4
125.02335	1.2
153.12868	1.2
161.04503	1.9
169.12329	6.4
171.10205	2.4
187.44067	0.9
195.13863	5.1
197.11810	100.0
198.12080	5.5
209.11807	2.1
223.09633	1.3
223.13377	3.8
235.08167	4.2
253.09280	13.7
275.20096	5.3
293.21198	62.8
294.21597	4.5
309.20609	0.9
433.20630	9.0
529.30109	2.8
769.40656	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	769.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62440	6.7
58.10376	7.0
61.98829	24.8
68.85795	7.2
71.14259	9.4
71.14635	12.1
79.95683	8.9
80.96510	34.3
82.96104	28.1
84.93060	6.5
101.25907	8.1
124.52560	8.2
209.11821	16.6
228.47255	6.9
250.79427	7.8
255.23227	31.4
279.23413	18.6
751.38159	8.2
769.41193	100.0
770.41998	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	770.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49268	0.2
61.98827	100.0
72.57141	0.3
80.96507	0.7
152.35361	0.3
211.13399	0.7
212.13806	0.4
277.01755	0.3
277.21695	0.7
278.22137	0.8
279.22620	0.3
770.41846	0.9
771.40363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61874	0.4
60.60010	0.4
63.02380	1.0
65.00310	3.1
70.44051	0.8
70.44385	0.9
83.01381	1.5
93.88755	0.4
98.19923	0.5
107.01385	5.6
108.02168	1.5
109.02938	3.1
121.02936	3.3
135.00861	1.8
148.01675	1.4
149.02362	1.2
151.00356	21.9
152.00731	1.0
159.04468	0.5
161.02408	0.5
163.00345	4.4
164.01091	0.9
169.01433	0.7
178.99849	11.1
183.04434	1.1
187.03995	1.2
191.03416	0.5
192.00685	0.6
199.03940	1.1
201.05579	0.7
201.40324	0.5
203.03569	0.7
211.03957	1.7
215.03485	0.9
216.04205	0.7
226.02621	2.3
227.03503	4.0
229.05000	1.2
243.02954	12.2
244.03430	1.4
245.04462	2.1
254.02208	2.9
255.02971	29.7
256.03326	3.0
271.02444	66.2
272.02948	6.9
273.03934	2.1
281.04742	0.5
283.02588	1.3
299.01971	1.6
300.02725	100.0
301.03430	54.4
302.03799	4.3
315.01575	0.7
343.04431	0.9
532.81396	0.5
771.19843	84.2
772.20135	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	771.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
57.03443	2.5
59.01381	52.9
69.03444	4.8
69.31504	13.6
71.01379	31.9
72.99303	3.8
73.02950	13.9
75.00871	1.8
81.03453	1.6
83.01368	7.6
85.02948	18.5
87.00890	7.8
89.02430	4.0
90.22370	1.5
93.03442	5.9
95.01373	4.4
96.96012	19.6
97.02932	5.0
99.00872	5.3
101.02443	18.1
108.02130	1.8
111.00880	1.9
113.02441	10.5
119.03516	2.2
121.02999	7.0
122.03738	8.5
123.04540	2.8
125.02448	7.6
132.02144	4.2
133.02957	27.1
134.03737	6.9
135.04471	3.9
137.02414	2.5
143.03566	2.6
147.04504	3.0
149.02437	62.6
149.06070	10.3
150.03230	55.4
151.03584	1.7
163.04008	1.9
164.04796	16.4
165.05565	34.6
166.06346	8.4
167.07074	6.1
169.01295	2.2
177.05637	2.5
180.04160	2.1
181.08679	12.5
195.06700	7.8
225.70970	1.6
243.96521	1.9
283.09732	2.9
287.09558	3.0
300.02829	1.6
312.12109	1.7
314.11636	10.4
315.12143	3.4
327.14447	26.3
329.09991	1.5
329.13919	30.1
330.14255	3.6
439.10623	9.1
445.66354	1.5
457.18567	2.6
471.18646	11.7
472.18839	1.9
475.19739	59.6
476.19955	7.7
489.20416	12.1
490.21109	3.7
531.20862	12.1
619.23920	60.9
620.23975	13.9
637.24951	51.4
638.24982	7.0
649.24847	3.6
667.25714	8.0
668.26373	2.2
679.26007	100.0
680.26349	24.2
685.27319	7.2
709.26227	3.6
727.28052	25.1
728.28815	7.6
733.24188	1.9
771.20776	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	771.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76471	0.1
59.01371	0.8
61.98818	1.3
64.93492	0.1
68.99561	0.5
71.01375	0.6
75.20087	0.1
75.54431	0.2
76.05379	0.2
78.95889	0.4
79.95728	3.2
91.99313	0.2
96.96003	100.0
97.95964	0.3
101.02414	0.3
109.06604	0.3
112.98552	0.5
113.02390	0.2
115.00324	0.2
123.04460	0.2
161.39859	0.1
171.10228	1.1
185.34081	0.2
193.23721	0.2
197.11874	0.5
207.10342	0.7
209.11795	1.9
210.12086	0.3
211.13310	0.4
225.11343	0.7
227.12971	0.3
253.09238	0.6
254.98154	0.4
307.19022	0.2
309.20761	0.8
325.20154	0.4
461.20065	0.2
582.21039	0.2
655.07153	0.2
753.40552	0.2
771.41510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98809	0.1
70.92771	0.1
71.01398	0.1
71.64156	0.1
77.82327	0.1
78.95895	0.5
79.95734	3.2
80.96523	0.1
95.97557	0.1
96.96006	100.0
97.95941	0.3
98.03068	0.1
160.82225	0.1
209.11833	0.1
229.19867	0.1
277.88925	0.1
277.92020	0.1
300.02884	0.1
316.57956	0.1
359.27103	0.1
398.25540	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	34.5
61.98827	68.1
64.38747	12.2
66.27121	11.9
71.01373	35.1
78.95882	18.9
83.04983	11.9
85.12325	10.0
96.95985	28.5
98.19910	23.5
109.06573	33.6
113.02407	14.7
163.11258	14.9
171.10181	26.3
180.00540	11.3
197.11795	16.6
207.10239	85.2
209.11787	43.2
225.11307	52.0
226.58878	15.4
253.09369	24.2
277.18173	12.9
278.12283	12.1
291.19720	100.0
309.20496	18.1
325.23920	14.5
408.67471	14.7
450.68228	13.9
461.20374	30.2
481.29782	16.9
717.38287	84.0
718.39130	21.3
735.39709	74.9
736.40399	19.4
771.36853	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	771.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.0
59.01367	2.8
61.98822	1.1
71.01379	1.4
71.60780	0.9
73.02942	1.1
74.60445	0.5
76.50681	0.6
79.95742	0.6
80.96539	0.7
85.02956	1.4
87.00875	1.7
95.05029	0.8
96.96040	3.5
97.06598	0.8
99.04488	0.7
101.02458	0.8
111.08137	0.9
120.36584	0.6
123.08144	1.3
125.02509	0.6
139.19817	0.5
141.09245	0.7
149.06091	1.6
150.06862	34.9
151.07318	1.5
155.10780	0.6
157.08685	0.7
161.09650	0.6
162.06857	0.9
163.07651	8.1
164.08412	5.9
165.65613	0.6
167.65561	0.6
169.71581	0.7
171.10199	0.7
177.09192	1.0
178.09927	2.2
179.10770	18.8
201.35544	0.7
211.92178	0.7
257.13907	0.8
320.19754	1.1
321.20734	0.8
341.23242	1.3
343.21246	4.6
364.22983	0.6
449.93845	0.6
459.31497	0.9
462.29675	2.3
476.31210	1.1
477.32062	6.8
504.30713	1.2
505.31543	1.8
522.31897	2.5
523.32697	18.2
524.32996	2.4
594.69055	0.7
618.64398	0.7
685.38458	1.9
727.39050	100.0
728.39404	19.5
771.30426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49477	0.5
57.03437	0.9
59.01380	3.5
61.98824	3.7
66.80557	0.5
71.01378	2.6
71.61443	0.6
73.02944	1.2
79.95737	2.4
80.96510	2.6
83.01391	0.5
83.05003	0.6
85.02934	1.8
87.00857	0.9
89.02423	0.8
96.96011	8.5
97.06569	1.4
99.04501	1.0
101.02448	1.0
111.04533	0.7
111.08127	0.9
113.02417	1.2
113.05997	0.5
123.04452	0.6
123.08141	1.4
125.02433	0.7
135.08110	0.7
137.09666	0.8
140.72270	0.6
149.06078	2.0
150.06859	37.7
151.07254	2.1
161.09717	0.9
162.06874	0.6
163.07632	8.0
164.08418	6.9
171.10187	0.8
175.98328	0.6
176.08397	0.9
177.09113	1.1
178.09935	2.5
179.10756	18.2
180.11060	1.0
184.11095	0.8
220.84583	0.5
225.00713	1.0
229.10703	0.9
290.07629	0.5
293.65048	0.5
306.55487	0.6
311.42529	0.6
320.19937	1.9
335.22375	1.4
341.23181	1.5
343.04471	0.5
343.21295	3.8
364.22571	1.9
441.30164	0.8
459.31210	1.1
462.29758	2.0
463.40240	0.5
477.32050	4.6
478.32361	1.1
504.31021	0.9
505.31531	2.7
522.31793	2.0
523.32709	19.3
524.33044	3.4
685.38116	1.3
707.29193	1.2
727.39044	100.0
728.39349	21.6
753.29858	0.6
771.31415	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	771.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03436	4.6
58.00580	1.1
59.01374	27.7
60.99343	1.2
61.98833	5.1
63.02390	3.3
65.00317	4.3
67.84035	0.9
69.03451	2.7
71.01376	33.5
72.21999	1.2
72.99299	3.8
73.02949	9.8
75.00854	2.0
79.95744	2.1
81.03471	2.3
83.01389	11.1
85.02939	14.7
87.00880	4.7
88.98810	2.8
89.02440	7.6
93.03454	2.3
95.01383	6.7
96.96005	29.8
97.02948	3.3
98.95576	1.2
99.00864	4.2
101.02442	21.1
107.01389	8.6
108.02199	1.4
109.02918	5.0
111.00877	5.3
111.04471	1.3
112.01598	1.9
113.02445	16.8
117.03482	1.5
119.03458	3.0
119.05017	2.0
121.02929	9.0
123.04577	2.0
123.08150	1.7
125.02442	10.4
129.01987	1.1
135.04553	1.4
135.11821	2.0
137.02403	6.9
143.03465	2.9
145.02959	4.7
146.07428	1.0
149.02426	2.1
150.03197	1.8
151.00365	32.4
151.04015	1.8
152.00822	1.2
153.09241	1.1
159.02980	2.1
159.04468	1.7
161.02402	3.9
161.04541	3.6
161.09709	4.3
163.00380	2.7
163.03975	4.0
165.01903	4.4
167.03442	1.7
169.01376	2.4
173.06116	1.0
175.03981	1.4
178.99860	16.2
179.03334	1.2
179.10806	8.1
181.05112	1.7
187.04036	1.7
187.13339	1.9
198.03387	1.0
199.04016	1.3
201.05472	1.4
201.14935	2.0
203.74332	1.0
205.05225	1.0
205.08553	1.0
223.07619	1.3
223.09709	14.3
227.03444	2.4
229.05066	2.8
243.02910	3.0
245.04578	1.8
255.02972	8.5
257.04312	1.4
271.02460	17.4
272.02856	2.5
273.04132	2.3
285.04083	5.3
289.07422	2.1
289.11133	6.4
290.11237	1.0
299.01932	4.2
300.02722	20.3
301.03513	100.0
302.03870	9.0
307.01114	1.0
323.12802	1.6
359.27875	2.7
361.29611	14.4
367.12021	2.4
385.14667	4.1
457.31763	1.9
469.13901	1.9
505.33780	8.5
506.33868	1.4
523.34772	18.4
524.35052	3.4
565.35938	3.0
609.25818	1.7
625.14099	8.8
626.14709	2.0
667.38977	61.9
668.39441	11.0
685.40015	31.5
686.40344	7.3
727.41223	19.8
728.41705	4.7
771.17163	11.6
772.19092	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	771.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03441	3.8
58.00620	0.9
59.01375	22.3
61.98835	3.2
63.02375	2.2
65.00325	5.4
69.03438	3.4
71.01376	28.7
71.58944	0.6
72.99294	2.8
73.02937	8.2
75.00861	1.2
77.38315	0.6
80.96500	0.7
81.03441	1.6
83.01376	12.2
83.40854	0.6
85.02941	15.0
87.00873	3.8
87.04477	1.1
88.98786	1.3
89.02418	5.0
93.03450	2.6
95.01387	4.8
96.96009	15.6
97.02954	5.0
99.00890	3.9
101.02442	17.3
102.02787	1.2
105.88808	0.7
107.01379	8.5
109.02959	3.7
111.00886	4.9
111.04427	0.9
112.01669	1.5
113.02447	17.6
117.01878	0.7
117.03445	1.8
117.58019	0.7
119.03472	1.4
119.04998	2.3
121.02947	9.0
122.03757	0.7
123.00925	1.1
123.04505	1.8
123.08127	1.0
124.01711	1.4
125.02434	9.4
135.00903	1.0
135.04466	1.1
137.02420	8.4
139.03949	0.9
141.12888	1.4
143.03470	3.4
145.02977	3.3
146.03665	1.0
147.04555	1.1
149.02382	1.6
150.03119	1.0
151.00354	33.3
151.03961	0.8
152.00728	1.1
159.02982	1.7
159.04405	1.1
161.02399	3.0
161.04558	3.3
161.05843	0.8
161.09694	1.7
163.00301	3.2
163.03984	2.9
164.01085	2.2
165.01883	4.3
167.03445	2.6
169.01411	1.8
171.13898	1.4
173.06035	1.0
174.01675	0.7
174.03247	0.7
175.03976	1.0
175.07632	1.7
178.99844	14.7
179.03468	1.8
179.10730	4.5
181.05069	1.3
187.03947	1.4
187.13344	0.9
192.00572	0.9
193.01472	1.1
199.04016	1.4
201.05551	1.6
201.09224	0.8
201.14952	2.9
203.07086	0.8
203.10690	1.2
211.04018	1.7
217.08624	1.9
223.09741	5.5
226.02557	0.9
227.03535	2.7
229.05145	1.6
229.08617	1.6
243.03014	3.5
245.04556	1.3
247.09810	0.8
255.02959	6.8
256.03464	1.0
257.04504	1.3
259.88681	0.8
271.02448	17.7
272.02914	1.7
273.04001	2.3
283.02313	0.8
285.03973	6.1
289.07434	1.1
289.11139	4.4
299.01956	4.2
300.02686	20.4
301.03488	100.0
302.03848	9.0
341.14285	0.8
359.27844	2.2
361.29587	11.6
362.29865	1.0
367.11707	4.3
368.12073	0.9
385.12503	4.1
457.31543	1.9
469.13385	0.9
485.13129	1.7
490.73203	0.8
505.33701	7.8
506.34296	1.6
523.34821	17.7
524.35138	2.6
546.40015	0.7
547.34760	1.0
565.35828	2.9
607.12878	1.0
625.14026	9.9
626.14075	1.2
667.39014	59.8
668.39276	12.9
685.39990	31.3
686.40350	6.4
727.41296	20.5
728.41760	4.4
771.17419	12.1
771.29919	1.9
772.18530	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	771.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	24.8
59.96185	17.9
61.98819	100.0
65.60788	16.9
68.96074	18.4
70.16001	20.3
71.01382	39.5
71.25148	19.0
73.63988	19.8
78.95906	57.2
91.29083	18.9
91.69932	17.3
96.01182	19.6
96.95985	18.2
101.02457	18.2
107.14388	18.4
141.46158	15.7
152.99431	24.8
156.83684	19.2
171.10257	29.9
181.95680	17.8
209.11864	23.4
223.13315	57.1
277.21796	23.6
293.21240	48.8
295.01025	19.0
309.20752	21.9
462.24802	21.7
646.81525	21.5
735.43878	23.7
771.41168	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	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58974	1.1
57.03450	2.6
58.00580	3.0
59.01378	19.3
61.98809	3.1
67.55095	0.9
69.03436	3.6
70.78406	1.8
70.78725	1.8
71.01377	81.2
72.01717	1.8
72.99317	1.3
73.02929	6.9
74.41486	1.1
79.95721	2.8
80.02673	2.5
81.03454	4.5
83.01369	2.3
83.05028	9.7
84.02182	1.9
85.02957	6.5
87.00874	7.7
89.02433	8.4
93.03455	1.3
95.01367	2.2
95.05006	3.0
96.96007	51.2
97.02943	8.4
97.06570	4.6
99.00884	2.3
99.04519	1.7
101.02440	13.8
107.04990	1.2
109.02964	1.5
109.06585	16.9
110.03738	2.0
111.00867	2.5
111.04532	1.9
111.08152	9.5
113.02441	6.1
119.03478	3.1
119.08644	1.4
121.06521	1.5
123.04510	1.6
123.08116	1.8
125.09731	7.2
127.07650	1.5
127.11293	5.2
131.03447	1.3
133.04977	1.3
135.08142	2.6
137.09683	3.4
141.01910	1.3
142.52534	1.0
143.03526	2.6
145.05046	2.3
147.08202	1.2
151.11316	3.0
153.09233	1.6
153.12819	1.8
155.10773	2.4
161.04605	5.3
161.09671	3.4
163.11270	19.6
164.11549	1.3
165.09181	1.8
165.12874	5.2
167.10663	1.4
169.12357	5.4
171.10258	86.1
172.10518	3.1
179.10768	3.0
180.07846	1.1
181.12294	10.6
183.13861	1.8
185.11787	7.1
189.09169	3.3
191.10757	3.0
191.14433	1.0
193.12343	1.9
197.11818	58.7
198.12144	5.1
199.09720	2.4
199.13298	5.3
201.11316	41.5
202.11647	2.1
207.10252	52.8
208.10541	3.2
209.11810	100.0
210.12172	6.4
211.13382	17.9
215.12825	3.6
225.11307	71.9
226.11617	4.5
227.12883	16.3
235.08209	10.7
243.12393	6.4
245.19104	4.4
247.20592	1.3
253.09277	41.3
254.09554	1.1
263.20004	5.4
265.18243	1.3
273.18661	1.8
289.18073	10.1
291.19647	36.2
292.19904	2.8
293.21274	1.2
295.10300	3.0
307.19095	9.9
308.19452	1.3
309.20688	89.5
310.21030	8.2
341.23227	2.9
344.05560	1.3
407.19028	2.2
443.19052	4.7
445.20517	1.1
461.20377	14.8
462.20520	1.7
479.21429	3.0
753.40625	9.1
754.41272	2.9
771.41315	6.5
772.41840	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	771.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20546	0.9
54.56338	0.9
55.01869	1.2
57.03434	3.3
58.00588	2.0
59.01097	1.6
59.01373	16.4
60.71340	0.9
69.03445	3.3
71.01381	30.1
71.05027	1.0
72.99290	0.9
73.02951	4.7
80.02669	2.2
81.03450	3.8
83.01375	3.2
83.05026	8.5
84.02164	1.1
85.02962	4.9
87.00872	4.4
89.02431	7.5
94.18594	0.9
94.60867	0.9
95.01368	1.5
95.05020	3.4
96.95996	4.2
97.02946	9.9
97.06574	5.0
98.19745	1.6
99.00869	2.0
101.02439	11.1
107.04977	1.0
109.06583	9.6
110.03715	1.2
111.00867	1.1
111.08150	4.4
113.02441	5.5
119.03523	1.6
119.08618	1.5
121.06570	1.8
123.04525	1.5
123.08217	2.0
125.09719	9.3
127.11273	3.5
130.42574	0.8
135.08104	3.2
137.09674	3.0
139.07622	1.5
143.03485	2.0
143.46127	1.0
145.05078	1.8
149.09709	1.0
151.11314	1.6
153.12846	1.2
155.10773	2.2
161.04533	4.2
161.09711	2.0
163.11266	15.9
164.11594	1.2
165.09126	1.4
165.12839	9.4
167.10768	1.7
169.12335	1.7
171.10258	73.2
172.10573	3.0
173.09511	0.9
179.05656	1.8
179.10741	2.4
181.12285	5.3
183.13890	2.0
185.11800	7.7
189.09192	2.6
191.10788	1.3
191.14413	3.3
193.12210	1.1
193.15793	1.2
197.11786	14.9
199.09747	2.0
199.13400	1.4
201.11308	35.2
202.11661	1.6
203.05652	1.0
207.10240	31.2
208.10516	1.7
209.11807	100.0
210.12187	5.8
211.13326	6.3
215.12817	3.1
221.11757	1.2
225.11301	52.0
226.11723	1.8
227.12877	13.9
229.28236	1.2
235.08194	10.3
235.10451	1.4
237.11273	1.0
243.12308	2.8
245.19086	6.6
247.20634	4.7
253.09268	32.2
254.09688	1.2
263.20102	1.7
273.18616	2.1
277.09045	1.1
289.18076	22.1
290.18457	1.9
291.19647	52.8
292.19827	4.8
293.21283	1.1
295.10458	1.7
307.19131	14.3
308.19339	2.7
309.20691	90.5
310.20975	9.4
398.21500	1.0
443.19159	3.1
461.20358	7.2
587.31616	1.1
590.57416	0.9
622.13586	1.4
629.28748	1.0
707.18201	1.0
735.39325	1.3
753.40851	4.6
754.41815	1.2
771.41400	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	772.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01412	0.3
71.76704	0.2
78.95911	0.5
82.96600	0.2
98.20770	0.4
114.37238	0.2
136.48006	0.2
152.99619	0.3
171.10239	0.4
191.85109	0.2
209.11790	0.2
210.12196	0.2
222.00722	0.2
263.20410	0.2
277.21796	0.3
343.14691	0.2
356.78378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26405	0.5
59.01371	2.8
61.98829	0.6
63.02408	1.6
65.00313	2.8
66.18065	0.4
68.99799	0.5
69.70997	1.8
69.71407	1.2
71.01378	2.2
73.02962	0.9
78.39810	0.5
83.01398	2.0
85.02947	1.4
88.98819	0.7
89.02450	1.1
93.03521	0.4
95.01394	0.7
96.96014	5.0
97.56092	0.5
98.19907	0.6
98.95537	0.5
101.02464	1.6
103.56702	0.4
104.32715	0.4
104.62784	0.4
107.01385	6.2
108.02198	1.6
109.02981	1.3
111.00937	0.8
113.02463	1.5
119.05032	0.7
121.02959	4.0
123.17050	0.4
124.01625	0.6
125.02471	1.5
125.20179	0.4
135.00873	0.7
135.04526	0.5
137.02435	0.5
148.01654	1.2
149.02469	1.1
150.03186	0.5
151.00351	24.4
152.00972	1.7
159.04535	0.5
161.02457	0.7
161.04597	0.5
162.03058	0.5
163.00357	2.4
164.01163	0.7
167.07179	0.6
169.01395	1.4
178.99852	11.8
185.06313	0.4
187.04030	0.5
191.22771	0.6
192.00641	1.0
193.01465	0.8
198.03275	0.6
199.03909	1.2
211.04037	1.5
215.03564	0.8
226.02699	1.8
227.03490	2.6
229.05034	1.0
229.93399	0.5
239.03589	0.9
240.04115	0.5
241.04990	0.5
243.02968	10.1
244.03503	0.8
245.04626	1.3
254.02121	2.6
255.02963	25.3
256.03439	2.2
257.04599	0.9
269.04529	0.8
271.02466	52.7
272.02942	5.4
273.03986	1.8
283.02530	1.6
284.03113	0.6
285.04050	2.7
287.09464	0.5
299.01981	3.8
300.02725	100.0
301.03448	59.9
302.03891	4.9
313.03445	4.7
314.04242	5.6
343.04279	0.5
346.03201	6.8
347.03952	0.5
386.13742	0.5
403.08228	1.0
420.08627	1.7
421.09241	3.1
447.07193	18.3
448.07672	2.3
465.08231	9.0
466.08441	1.3
532.19153	0.5
569.24115	0.5
609.14539	79.8
610.14911	11.6
651.15894	1.7
721.80237	0.9
729.20367	4.1
730.20496	0.9
755.18384	1.3
773.19238	31.0
774.19696	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	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.1
59.01359	0.3
61.98820	0.4
62.89517	0.1
71.01369	0.9
73.02921	0.1
78.95887	0.6
79.95734	3.6
80.02597	0.1
83.05029	0.1
85.02924	0.1
87.00858	0.1
89.02430	0.1
94.92509	0.1
95.97583	0.1
96.96004	100.0
97.02907	0.1
97.95924	0.3
97.96453	0.1
98.95590	0.1
101.02422	0.1
113.02448	0.1
118.96633	0.1
125.09730	0.1
151.40358	0.1
161.30489	0.1
163.11334	0.1
169.12280	0.1
171.10274	1.1
181.12413	0.1
185.11732	0.1
196.04933	0.1
197.11794	0.1
201.11264	0.3
207.10254	0.3
209.11826	1.0
210.12166	0.1
211.13391	0.3
225.11296	0.7
227.12811	0.2
235.08286	0.1
253.09311	0.4
254.28336	0.1
277.21692	0.1
291.19662	0.1
293.21252	0.3
295.22803	0.1
309.20752	0.2
311.22247	1.4
312.22757	0.1
384.66925	0.1
435.08160	0.2
443.27023	0.1
453.09323	0.3
461.20221	0.2
713.30286	0.3
747.44678	0.1
773.43103	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10598	1.8
59.01384	12.8
61.98810	11.3
71.01378	7.5
71.58368	2.9
73.02946	3.6
78.77855	1.8
79.95730	5.5
80.96560	3.7
82.95424	4.8
83.04996	1.9
85.02938	2.8
87.00856	2.2
88.98809	2.2
89.02472	4.4
96.96009	100.0
98.95593	8.1
98.96423	3.5
101.02443	4.9
113.02467	2.5
116.92843	2.6
119.03487	2.4
125.02414	2.4
128.83871	1.8
131.81557	1.9
159.49077	1.6
161.86066	1.6
171.10217	1.8
190.41695	1.8
209.11815	77.3
210.12190	3.8
227.12831	16.4
235.08296	2.2
253.09306	5.1
327.21634	3.8
445.21014	8.8
462.83392	1.9
637.31970	3.6
669.41248	3.1
673.34052	4.1
729.39569	2.9
773.37463	31.1
774.37860	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	773.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	7.4
60.34635	3.3
61.98832	24.1
71.01389	5.9
78.95901	14.2
80.96510	4.1
86.64346	3.5
96.96004	6.9
98.19860	9.0
101.02493	4.2
105.70583	3.7
109.06575	13.6
137.02338	3.3
194.00591	4.0
195.13846	7.0
207.10263	52.1
209.11775	14.7
210.91019	4.5
225.11348	17.5
235.08191	6.6
253.09261	29.8
275.20007	4.7
291.19519	7.8
293.21194	100.0
294.21545	5.6
295.22525	3.9
443.19424	8.0
461.20023	4.5
529.30017	9.9
737.41077	60.6
738.41168	15.9
773.38855	40.1
774.39136	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	773.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01377	5.0
61.98835	2.9
71.01390	3.6
72.24531	0.4
72.99308	0.7
73.02940	1.7
75.00850	0.8
76.99087	0.4
78.82746	0.4
79.06125	0.4
79.95736	0.9
80.96497	1.0
83.01382	0.5
85.02946	3.4
87.00858	1.5
87.04515	0.7
88.98792	0.8
89.02448	1.7
95.01395	0.7
96.96007	12.0
98.19913	1.2
98.95596	0.8
99.00901	0.7
99.04512	0.6
101.02416	2.0
109.02921	0.9
111.04487	0.6
113.02425	2.0
113.06101	0.6
121.02909	0.5
121.06564	0.5
123.04522	0.7
125.02441	2.4
135.08154	1.1
136.05269	0.8
137.02429	1.2
137.06047	0.6
137.09691	0.9
149.06062	5.7
149.09648	1.1
150.06863	38.2
151.07274	2.0
155.52168	0.5
161.09717	1.3
162.06871	1.0
163.04028	0.7
163.07639	10.1
164.08417	6.9
165.01894	0.8
167.10641	0.6
169.01424	1.2
176.08324	1.0
177.09151	1.4
178.09949	2.1
179.10770	17.8
180.11055	1.2
193.08727	0.6
195.06604	0.5
202.06421	0.5
204.10677	0.6
207.18726	0.4
209.39352	0.5
255.86864	0.5
265.21393	0.6
337.19910	0.6
343.24823	1.7
345.22794	5.8
446.29669	0.9
461.32990	0.9
464.31485	4.6
465.31644	1.1
478.32797	1.5
479.33783	6.3
480.34100	0.8
506.32300	2.2
507.33160	1.9
508.33264	0.7
510.31723	0.5
524.33612	3.7
525.34216	19.7
526.34601	2.5
550.06201	0.5
669.40796	0.9
687.39514	2.1
688.38629	0.6
729.40570	100.0
730.40967	23.1
773.26538	2.4
774.27722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.11078	0.2
57.03448	1.3
59.01086	0.2
59.01376	4.9
61.98826	1.4
69.03443	0.9
70.43189	0.4
70.43561	0.8
71.01379	5.2
72.99270	0.3
73.02924	1.2
79.95734	0.6
80.02676	1.1
81.03448	1.2
82.95405	2.1
83.01376	0.8
83.05019	4.4
84.02159	0.8
84.95103	0.5
85.02946	5.3
87.00864	0.9
89.02444	3.6
93.03468	0.3
95.01389	0.6
95.05003	0.7
96.96004	13.9
97.02962	1.2
97.06599	1.3
98.95593	0.9
98.96469	0.4
99.00880	0.6
99.78223	0.3
101.02438	4.7
109.06586	0.6
110.03681	0.3
113.02425	2.6
116.92841	1.4
119.03503	0.8
123.08171	0.3
125.02435	0.3
125.06069	0.5
125.09724	0.8
127.11266	0.9
129.01894	0.3
131.03474	0.3
135.08139	0.7
137.09677	1.5
142.06818	0.3
143.03522	0.7
145.05077	0.4
155.10760	0.9
155.14346	0.3
161.04555	2.1
163.11292	4.0
165.12813	3.3
167.14459	0.4
171.10263	15.3
172.10588	0.4
175.02422	0.4
177.12811	0.5
179.05559	0.4
181.12363	1.2
183.13905	1.1
185.11829	0.7
191.10774	1.0
193.12354	0.4
197.11844	0.3
199.13385	0.4
201.11314	0.8
207.10252	1.7
209.11809	100.0
210.10295	0.4
210.12157	6.0
211.13385	8.4
211.15410	0.4
212.13782	0.5
221.11819	1.4
225.11288	1.3
227.12874	12.1
228.13298	0.8
229.14453	5.6
230.14839	0.4
235.08205	8.5
236.08586	0.3
239.12906	0.9
253.09265	19.7
254.09590	1.0
256.97638	0.4
273.18628	0.3
291.19623	3.2
309.20691	7.7
310.20895	0.8
327.21732	57.9
328.22083	5.8
445.20749	1.9
446.21408	0.3
463.22049	0.4
519.33295	1.4
545.29694	1.5
563.30640	3.0
564.31085	0.6
773.36536	0.5
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
59.01391	19.3
61.98824	100.0
64.70491	19.5
66.92967	16.6
68.21251	22.3
73.57590	17.6
78.95902	31.6
96.96008	89.0
101.16400	18.3
104.35486	17.5
109.06589	27.1
119.19461	18.4
134.95703	18.9
207.10257	51.0
209.11882	70.0
211.13411	98.6
220.54681	17.3
225.11357	20.0
253.09288	40.2
275.20233	19.4
291.19720	24.3
293.21036	92.9
294.21497	22.0
309.20663	38.8
353.04498	21.1
356.64612	19.0
451.39792	17.9
451.46411	24.1
502.67361	19.4
545.69501	23.6
737.40625	27.8
738.42065	19.4
775.39050	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
61.98825	5.0
65.96089	1.8
67.37964	2.0
70.00871	7.1
78.95892	3.8
80.78827	1.8
95.05023	2.1
96.95988	4.2
98.95564	2.6
101.02429	2.3
120.05612	1.7
152.99539	2.5
165.12851	2.8
171.10283	4.1
209.11829	100.0
210.12132	5.3
215.37860	1.8
227.12935	20.7
235.08156	7.3
253.09265	16.6
293.21210	58.9
294.21484	6.0
315.87402	2.2
445.20798	11.5
463.21475	2.2
775.40344	43.8
776.40973	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	775.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53560	1.8
57.44196	2.0
59.01371	6.3
60.59894	2.0
61.98822	13.0
70.49615	5.8
71.01377	6.1
73.02939	3.1
75.56312	1.8
78.95901	5.9
89.02466	3.6
91.52318	2.0
96.59629	2.2
97.02930	2.2
98.20592	2.4
101.02453	5.2
109.06574	7.3
113.02401	2.7
152.99585	3.3
161.04544	2.9
161.17722	2.3
163.11272	5.6
171.10251	18.2
189.09204	3.8
199.09731	21.3
201.11316	4.8
207.10213	40.2
214.35976	2.0
225.11290	47.3
226.11751	3.4
226.52388	2.2
235.08228	5.6
253.09244	14.9
255.58815	2.1
277.21686	100.0
278.22079	9.0
354.71060	2.0
367.88287	2.1
435.18579	6.3
443.18988	10.9
461.20184	14.3
462.20184	2.2
513.30304	3.0
521.13531	2.0
677.38763	2.3
695.39948	41.9
696.40240	7.3
703.40161	2.7
721.41602	41.5
722.42010	13.3
739.42743	4.2
775.40277	17.5
776.41614	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
61.98830	25.0
62.89574	1.5
63.73322	1.3
66.28995	1.6
66.41938	1.5
69.57230	1.7
69.91927	7.7
71.01381	5.6
73.02926	1.8
78.95907	4.3
83.05040	1.6
85.02962	2.1
86.63319	1.4
89.02447	2.8
95.05026	3.2
97.02937	3.2
101.02419	3.6
109.06577	6.6
113.02452	2.5
125.02431	1.4
135.08031	1.7
152.99638	2.2
161.04544	2.6
163.11253	6.7
171.10268	15.1
179.05627	3.1
181.08601	2.6
189.09171	3.1
199.09735	10.7
201.11278	2.7
207.10237	27.9
208.10516	3.5
225.11304	70.7
225.13541	3.6
226.11656	5.2
235.08289	8.8
253.09294	14.2
277.21698	100.0
278.21976	10.3
417.17667	2.7
418.17563	1.5
443.19254	13.5
461.20221	24.0
462.20526	1.8
513.30817	5.0
628.75214	1.6
695.39984	33.1
696.40381	7.0
703.40656	3.3
721.41608	47.9
722.41980	12.8
739.42633	2.6
775.38977	9.4
776.39624	2.8
784.95618	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	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	19.3
61.98824	100.0
64.70491	19.5
66.92967	16.6
68.21251	22.3
73.57590	17.6
78.95902	31.6
96.96008	89.0
101.16400	18.3
104.35486	17.5
109.06589	27.1
119.19461	18.4
134.95703	18.9
207.10257	51.0
209.11882	70.0
211.13411	98.6
220.54681	17.3
225.11357	20.0
253.09288	40.2
275.20233	19.4
291.19720	24.3
293.21036	92.9
294.21497	22.0
309.20663	38.8
353.04498	21.1
356.64612	19.0
451.39792	17.9
451.46411	24.1
502.67361	19.4
545.69501	23.6
737.40625	27.8
738.42065	19.4
775.39050	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	775.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77462	13.5
61.98822	100.0
62.09089	15.1
62.94728	14.1
66.67654	13.8
70.48891	45.6
78.95898	29.9
107.36677	14.1
118.75410	17.6
120.69506	15.3
137.86339	16.6
171.10303	21.9
211.13373	19.2
234.48119	16.9
266.57028	16.2
273.23801	14.5
277.21719	33.1
343.22681	16.8
387.94409	15.9
470.91098	16.8
572.63031	16.9
762.36389	19.1
775.40424	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	775.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75160	0.1
59.01365	0.1
60.32362	0.1
68.36238	0.1
69.28844	0.1
69.29249	0.4
71.21009	0.1
78.95895	0.2
79.95736	3.0
87.66418	0.1
96.96008	100.0
97.95967	0.3
147.02715	0.1
177.01988	0.1
261.48578	0.1
350.03970	0.1
388.48801	0.1
392.95142	0.1
540.53699	0.1
692.98938	0.1
775.32147	0.1
775.46527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05007	0.7
59.45234	0.6
61.98806	0.7
63.62465	0.7
63.96231	1.3
69.03458	0.8
71.01376	8.5
73.02926	2.2
74.59956	0.6
78.95904	3.0
78.98591	7.1
79.95730	16.5
80.96513	82.3
81.03421	1.1
85.02970	3.4
87.00867	2.9
89.25839	0.7
94.98082	20.6
96.95943	0.9
97.02934	1.6
98.19857	2.1
101.02403	2.6
106.98064	3.8
113.02434	1.0
122.97560	6.2
125.02419	5.4
127.03979	1.1
134.97580	5.5
136.99101	2.2
146.97488	0.8
148.99118	7.9
152.98610	8.1
164.97299	1.1
164.98615	15.5
196.89465	2.9
198.19521	0.7
206.99664	3.5
225.00710	21.7
255.23250	3.1
334.91998	0.8
517.78876	0.8
521.16870	1.9
777.40979	100.0
778.41284	24.6
799.58258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	18.3
62.91653	5.4
67.55718	5.1
71.29948	7.3
78.95911	29.6
96.95999	14.1
114.81677	6.8
114.99595	6.2
119.03493	5.7
123.04482	5.8
125.02477	8.3
140.88419	7.6
152.99565	14.5
163.11270	6.3
171.10236	6.6
197.11763	23.9
209.11789	100.0
211.13364	10.5
227.12871	21.0
253.09230	18.7
287.97751	5.9
295.22754	79.2
296.23233	8.0
321.60739	5.6
329.23148	6.2
445.20663	21.6
595.93286	7.2
620.99213	6.4
777.42841	69.8
778.42432	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66639	5.9
59.01368	17.4
61.98827	14.1
71.01389	13.8
78.95898	35.9
92.38010	5.9
96.95993	24.6
96.96951	7.6
98.20738	15.3
99.00921	7.7
106.51402	7.1
129.94485	5.9
152.99539	14.2
153.68538	5.4
171.10254	11.6
209.11792	67.2
211.13394	16.1
227.12875	24.0
229.62334	8.8
253.09232	27.1
277.21918	8.6
295.22742	100.0
296.23209	12.8
309.20773	7.7
409.12946	6.9
531.32227	6.8
544.72894	8.7
777.42871	95.8
778.42944	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	779.422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41928	0.2
55.01865	0.8
57.03444	1.4
58.00596	1.4
59.01376	22.5
60.01724	0.3
61.98817	2.7
62.92696	0.2
67.01905	0.3
68.99818	1.8
71.01377	22.8
72.01740	0.3
72.99301	2.3
73.02946	1.9
75.00870	11.5
80.49026	0.3
80.65896	0.2
83.01390	2.7
85.02940	9.4
86.00094	0.3
87.00871	2.8
88.98789	0.4
89.02440	10.5
90.02802	0.3
95.01382	3.8
96.95962	0.3
97.02921	0.5
98.19762	0.5
99.00872	12.0
101.02436	11.5
111.00854	0.6
112.01634	0.4
113.02439	8.3
115.00389	0.5
119.03489	1.9
125.02438	0.3
129.01929	0.5
131.03505	0.5
139.00342	0.4
143.03461	0.3
157.01410	1.7
161.04524	1.4
177.35455	0.3
178.55714	0.3
198.46617	0.2
220.61914	0.3
333.42001	0.2
405.27798	0.4
421.30933	0.7
439.32132	2.5
440.32657	0.4
441.33978	1.2
509.36557	1.6
509.51205	0.3
573.95990	0.2
581.34399	0.3
599.35773	0.6
779.42157	100.0
780.42529	24.9
780.57318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03450	2.2
58.00574	0.7
59.01379	22.1
60.99292	1.5
61.98824	3.9
67.01868	1.2
68.99806	1.5
71.01379	17.1
71.60437	0.7
72.99306	3.7
73.02894	1.1
75.00877	3.4
75.55264	0.4
83.01381	4.3
85.02946	10.9
86.03269	0.5
87.00851	1.7
88.98808	9.3
89.02441	14.3
95.01373	5.1
96.95986	3.0
97.02936	1.7
99.00885	4.9
101.02433	9.9
106.01976	0.4
109.02934	0.5
111.00879	9.0
113.02448	10.7
119.03514	2.8
129.01901	0.9
131.03464	1.1
137.02457	0.5
139.00366	3.1
157.01369	0.7
161.04489	0.8
167.15387	0.5
209.11771	0.9
221.20773	0.5
264.82440	0.5
396.03186	0.5
421.31207	0.5
439.32074	2.0
441.33484	0.8
465.15546	0.5
537.76813	0.4
666.55029	0.6
779.42175	100.0
780.42468	24.6
782.61462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.425
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96248	1.6
71.01387	9.1
73.02934	1.1
78.95884	1.6
78.98582	6.8
79.95730	14.3
80.96512	79.8
81.03439	1.2
82.96087	4.0
85.02943	2.6
87.00863	3.9
91.14487	0.8
93.73095	0.7
94.98084	18.9
96.95985	1.5
97.02934	2.3
101.02422	2.9
106.98077	3.8
113.02435	1.1
122.97580	4.6
125.02429	3.3
127.04115	1.2
134.97598	6.1
136.99095	1.8
148.99141	6.0
152.98630	6.8
164.98613	12.9
206.99651	2.9
209.11720	1.8
225.00710	24.6
226.01024	1.5
237.81493	0.8
255.23132	0.9
269.24692	0.9
305.17776	0.8
335.00592	1.1
493.10333	0.8
509.16711	1.8
545.14001	1.0
551.29388	1.6
779.42261	100.0
780.42798	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01380	19.0
61.98823	3.5
68.84319	0.9
68.99806	1.7
69.03051	0.9
70.67800	2.3
70.68163	1.7
71.01382	21.4
71.88291	0.9
72.65306	1.1
72.99320	3.0
73.02931	1.8
73.99648	1.0
75.00873	9.2
83.01357	1.8
85.02957	8.5
87.00861	1.9
88.98816	1.5
89.02438	10.2
95.01379	3.8
96.61348	1.0
96.96007	2.7
99.00868	9.9
101.02436	13.4
113.02439	9.2
116.92859	1.3
119.03503	2.2
122.13667	1.1
125.02436	1.5
137.02441	1.2
155.71089	0.9
161.04524	1.6
167.01053	1.1
171.10181	1.1
181.16518	1.3
209.11815	2.7
209.52368	1.1
230.19786	1.2
439.35849	3.2
440.35760	0.9
509.40018	1.8
528.30896	1.3
619.96460	1.2
779.45819	100.0
780.46289	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	779.4578
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.01864	0.9
57.03450	1.7
58.00583	1.2
59.01374	20.2
61.98807	0.8
67.01878	0.4
68.99809	1.4
69.03458	0.6
70.73485	0.7
71.01377	23.5
72.99306	1.8
73.02940	1.6
75.00866	11.5
82.95396	0.4
83.01408	2.7
85.02944	9.4
87.00871	2.4
89.02438	9.7
89.02995	0.5
95.01385	4.0
96.96006	0.7
97.02927	0.6
99.00871	9.6
99.01526	0.6
100.01185	0.4
101.02428	13.8
111.00927	0.5
112.01685	0.5
113.01702	0.6
113.02444	8.3
119.03493	2.3
124.39375	0.3
129.01912	0.3
131.03539	0.4
139.00412	0.7
139.01530	0.4
143.03448	0.4
157.01402	0.9
161.04509	0.8
163.11220	0.3
171.10304	0.4
173.01994	0.3
179.05519	0.4
203.26152	0.3
209.11810	1.0
211.13370	1.4
214.64212	0.3
227.12761	0.4
239.12779	0.8
263.59113	0.3
273.16956	0.5
314.68985	0.4
404.63232	0.3
439.35693	3.2
440.35736	0.4
509.39661	1.5
553.39600	0.5
599.39532	0.7
779.45789	100.0
780.46130	27.4
794.93225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4582
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
57.03445	0.9
58.00596	0.9
59.01105	1.3
59.01379	20.3
61.34970	0.7
61.98819	1.6
68.99823	1.2
71.01379	20.8
71.27261	1.4
72.70195	0.9
72.99310	1.6
73.02915	1.2
74.82318	0.7
74.90780	0.7
75.00462	1.0
75.00867	13.1
83.01362	2.7
85.02946	7.2
87.00876	2.7
89.02445	10.7
95.01378	2.9
96.39726	0.7
96.95943	1.3
99.00879	10.5
101.02428	12.3
103.80002	0.9
113.02449	7.6
119.03481	2.5
157.01405	1.3
161.04539	0.9
271.70099	0.9
277.21716	1.0
439.35754	2.8
440.36118	0.9
441.37109	1.2
494.34671	0.8
509.40073	1.3
544.46368	0.8
544.54968	0.8
615.75134	0.8
777.22211	1.1
779.45813	100.0
780.46161	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	781.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
59.55597	0.2
67.01871	0.5
67.34380	0.2
69.03440	0.3
71.01385	2.9
71.58466	0.4
72.99299	0.5
73.02943	0.6
79.01889	0.5
81.03435	0.3
83.01381	0.8
85.02928	1.6
87.00867	0.8
89.02432	1.1
92.88889	0.2
95.01406	1.6
96.86249	0.3
96.96005	6.4
97.02928	0.8
98.29578	0.3
99.00872	0.4
101.02445	1.3
107.01382	3.6
107.08556	0.3
109.02956	0.4
111.00878	2.4
113.02443	1.3
119.04977	0.3
123.00883	10.2
123.04504	0.4
124.01655	12.2
125.02446	21.9
126.02766	0.6
127.00347	0.7
136.98813	1.3
137.02451	0.9
138.03197	0.7
139.00366	3.9
139.04001	4.3
140.01135	2.3
141.01932	0.6
147.04465	1.8
149.02388	0.3
151.00366	5.2
151.03993	0.5
153.01898	0.9
161.02402	0.4
161.04521	0.4
163.04073	0.3
165.01909	0.6
165.05566	0.3
167.03488	0.7
168.00633	5.3
169.01416	27.0
170.01724	0.8
179.03433	0.5
181.05072	0.4
182.02193	0.4
183.02985	4.4
193.04854	0.3
195.02882	0.3
197.04572	0.4
211.02481	0.8
223.02588	0.4
225.04079	0.9
229.01361	0.4
241.03503	0.7
253.03552	0.3
285.06049	0.7
297.06174	1.0
298.98523	0.3
300.03171	0.2
300.99817	0.9
313.05618	7.1
314.06012	0.6
327.07553	1.7
327.10672	2.1
328.07404	0.3
371.13370	0.5
438.08298	0.4
453.10336	100.0
454.10699	12.3
503.21014	0.3
693.14160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2198
Annotation	Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01371	1.5
61.98849	0.6
63.02407	0.9
65.00315	1.3
65.76853	0.5
69.55051	2.5
79.95719	1.3
83.01371	1.1
84.75738	0.5
91.01911	0.7
93.03470	1.2
96.95989	2.1
104.67071	0.5
107.01383	2.8
109.02946	1.3
117.03417	0.7
119.05000	0.5
125.02485	0.5
130.26640	0.6
131.05008	0.5
132.02162	0.9
135.00873	1.8
137.02382	0.5
141.97350	0.4
143.05037	1.1
145.02931	0.5
145.06587	0.6
149.02463	0.4
151.00365	4.6
157.06633	0.7
159.04507	1.4
161.02367	0.5
163.00305	2.7
165.01900	0.7
167.05040	0.6
169.06551	0.7
171.04485	1.3
173.05946	0.7
183.04498	1.5
185.06046	2.8
187.04016	3.1
189.05557	1.5
195.04572	1.0
197.06027	0.9
198.03163	0.5
199.03961	1.7
200.04771	0.9
201.05533	0.8
211.04005	2.6
213.05589	1.6
214.02745	0.5
215.03513	0.7
227.03474	48.5
228.03879	3.6
229.05026	11.4
230.05351	0.7
239.03493	2.1
240.04170	1.4
241.04974	1.2
255.02956	79.0
256.03549	10.7
257.04486	8.0
269.08170	0.9
283.02365	1.0
284.03223	79.9
285.03989	100.0
286.04352	7.4
291.12689	0.6
299.09174	0.7
311.09235	1.5
314.11569	1.5
326.11560	1.1
327.04987	1.2
329.13882	3.8
341.13907	1.4
439.10645	11.1
440.10730	1.0
467.13391	0.8
635.16705	0.5
739.20355	2.5
765.48669	0.6
781.21875	67.2
782.07874	1.1
782.22070	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	781.4043
Annotation	Withanoside IV
Peak:m/z	Relative Intensity
63.96242	2.1
69.03425	1.1
69.26174	11.2
71.01382	8.4
73.02924	3.4
78.40791	1.2
78.95895	2.5
78.98602	8.1
79.95275	2.3
79.95737	37.8
80.96514	100.0
81.03452	1.2
82.96094	3.0
85.02930	3.0
87.00858	2.0
94.98083	16.8
96.96009	1.6
97.02975	1.2
98.09721	1.3
98.20670	2.1
101.02417	2.6
106.98093	2.8
109.08540	1.3
122.17072	1.3
122.97565	4.4
125.02424	2.9
127.04021	1.4
133.81633	1.2
134.97577	4.7
136.99117	2.4
148.99147	7.1
152.98605	7.3
164.98615	12.8
176.43138	1.3
200.27504	1.1
206.99617	2.9
207.10355	1.7
225.00740	24.7
226.01073	1.3
255.23158	3.3
341.05469	1.6
525.16113	1.6
735.40106	5.4
736.39087	1.5
763.39288	30.0
764.39880	7.3
781.40674	59.3
782.40839	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	781.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01335	0.6
61.47199	0.4
63.06904	0.4
63.96228	1.1
69.03448	0.5
71.01373	7.4
71.43654	0.6
73.02950	1.5
75.00852	0.7
78.98584	4.4
79.95734	100.0
80.96514	64.8
85.02952	2.7
87.00874	2.5
91.19937	0.4
92.05900	0.4
93.97304	0.5
94.98086	12.8
96.96004	1.9
97.02956	1.7
101.02425	1.9
104.75079	0.4
106.98092	3.2
122.97581	3.7
125.02435	3.0
127.04012	1.1
134.97583	5.7
136.99097	3.0
143.03462	0.5
148.99130	4.6
152.98631	5.4
161.04581	2.1
164.97308	0.7
164.98621	10.0
167.00233	0.4
179.00179	1.2
188.98541	0.5
197.01224	0.5
206.99641	3.9
223.99950	1.9
225.00723	23.5
226.00998	1.4
241.00238	3.4
255.23280	2.6
283.04886	2.2
341.05405	6.0
355.06943	1.6
397.11539	1.5
413.07629	0.8
425.14883	5.5
426.14935	0.5
426.81924	0.5
464.33484	0.6
497.16681	0.7
507.15265	1.1
537.27399	5.6
539.21808	0.6
609.29340	2.0
623.30884	1.0
637.32800	3.3
651.34100	1.2
679.37384	3.2
735.40204	1.2
763.39374	36.2
764.39563	9.1
781.40430	37.2
782.40771	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	781.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02319	0.5
59.01369	0.9
61.98824	12.8
63.96217	0.8
70.07948	0.5
71.01371	4.0
73.02940	0.7
78.95897	41.2
78.98578	3.2
79.95732	37.3
80.02673	1.1
80.96510	44.1
81.03453	1.2
83.01365	0.7
83.05016	4.2
84.02139	0.8
84.57751	0.5
85.02942	1.6
87.00848	1.1
90.83370	0.6
94.98083	9.2
96.95977	1.3
96.96292	0.5
96.96957	9.9
97.02915	0.6
99.00854	0.7
100.56161	0.4
101.02442	1.5
106.98048	1.4
109.06578	0.8
113.84522	0.5
116.89964	0.5
122.97580	2.2
125.02465	2.4
127.03979	0.7
127.30842	0.4
134.97552	3.1
134.98489	0.8
135.08186	0.9
135.23265	0.4
136.99104	1.4
148.99149	3.4
150.09676	0.7
152.98543	2.2
152.99579	8.8
163.11267	4.0
164.98611	7.2
165.12811	1.9
181.12323	0.9
191.10768	0.9
206.99626	2.0
207.10214	0.9
209.11801	38.9
210.12242	2.8
223.00082	2.2
223.99968	0.6
225.00720	14.9
226.01041	0.9
227.12929	2.5
229.17270	0.6
241.01190	18.5
242.01396	0.5
248.40057	0.5
255.23259	23.6
256.23608	2.0
259.02167	2.1
277.21637	1.2
278.21988	0.5
281.24982	0.6
283.05029	0.7
297.03955	0.9
315.04651	0.6
341.05322	1.8
355.06891	1.0
363.12222	0.9
391.22415	0.9
425.14639	2.8
426.15555	0.8
507.15332	0.5
525.16809	1.1
537.27380	2.2
553.27521	1.6
566.70123	0.5
569.14819	0.5
609.29401	0.6
637.32593	1.0
679.37122	1.0
761.01807	0.5
763.39301	18.1
764.39362	3.8
781.41003	100.0
782.41309	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03429	1.5
58.00578	1.2
59.01375	22.2
61.69181	0.4
67.01881	0.6
68.99796	1.6
69.03430	0.4
71.01376	24.6
72.95747	0.4
72.99305	2.7
73.02955	2.0
75.00866	12.3
83.01379	2.1
85.02451	0.5
85.02947	9.6
86.00065	0.4
87.00853	1.9
89.02438	12.4
93.03414	0.4
95.01376	4.1
97.02937	1.0
99.00257	0.6
99.00877	11.6
101.02436	13.9
112.01659	0.7
113.02447	8.7
115.26956	0.4
119.03524	2.2
125.02357	0.5
139.00385	0.6
143.03389	0.4
157.01350	1.2
161.04515	1.3
405.31711	0.5
423.32477	0.7
439.31882	1.0
441.33682	1.7
511.37814	1.3
596.25537	0.6
601.37244	0.6
647.62720	0.4
681.67694	0.5
781.43726	100.0
782.44025	23.2
782.58710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03435	1.8
58.00582	1.0
59.01378	26.1
60.99303	0.7
61.98833	2.9
63.58183	0.5
67.01867	0.5
68.99843	1.2
69.03470	0.6
71.01380	26.5
71.29304	1.0
72.99309	2.5
73.02932	1.6
75.00867	11.7
83.01374	3.4
85.02447	0.7
85.02945	10.3
87.00853	2.1
88.04821	0.4
88.98786	3.9
89.02438	11.0
95.01392	4.4
96.96010	5.0
97.02962	1.0
99.00881	11.6
101.02438	15.4
102.02789	0.6
104.65614	0.6
111.00896	0.5
113.02450	9.2
115.00373	0.7
119.03488	2.2
119.98632	0.4
123.00952	0.6
125.02454	1.0
131.03438	0.8
137.02423	0.7
139.00334	0.6
149.04701	0.5
152.28455	0.5
157.01373	0.7
161.04483	1.2
209.11813	0.9
211.13417	1.4
289.79468	0.6
298.12482	0.5
373.89017	0.5
388.13196	0.5
405.31616	0.7
441.33746	2.1
442.34341	0.6
443.35159	1.3
511.37784	2.0
572.34906	0.5
601.37225	0.8
781.43829	100.0
782.44183	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	783.068
Annotation	Unknow
Peak:m/z	Relative Intensity
77.89904	0.8
85.02912	0.9
94.99041	0.8
95.01366	1.7
103.17870	0.7
113.02309	0.8
117.03461	1.9
117.58431	0.9
119.05011	0.9
120.53869	1.0
121.02848	1.2
123.00857	4.5
125.02412	4.1
129.03455	0.9
131.04987	1.5
133.02953	1.7
143.05038	1.4
145.02946	4.9
147.04520	3.8
157.02945	2.3
158.03635	1.1
159.04491	4.9
160.01665	0.9
160.04027	2.2
161.02406	2.7
163.04015	2.4
171.04523	1.9
173.02434	5.5
174.03069	1.0
175.03981	5.0
177.01906	2.9
177.59151	0.8
183.04578	1.3
185.02399	4.2
187.04033	4.2
189.01872	2.9
190.02672	2.1
190.99825	2.0
191.03473	3.6
192.00494	0.9
193.01378	2.3
197.02377	1.0
199.03986	1.1
201.01913	9.4
202.02661	1.7
203.03481	9.1
204.04185	1.3
209.73952	0.8
211.04013	1.4
213.01888	2.3
213.05345	0.9
214.02672	2.6
215.03415	3.1
216.00533	1.1
217.01442	3.1
217.05057	1.2
218.02129	1.6
219.02876	2.1
225.01920	1.0
227.03426	5.6
228.00581	1.8
229.01396	18.5
229.04932	1.5
230.02005	1.8
231.02960	9.0
241.01396	1.6
242.02101	2.2
243.02939	5.9
243.99879	1.1
245.00858	6.5
245.04684	1.5
246.01758	1.3
247.02477	3.1
249.04047	12.0
253.01320	5.1
254.01680	1.1
255.02974	1.9
257.00876	12.6
258.01608	8.6
259.02316	4.5
267.02963	1.4
269.00900	1.7
270.01605	1.3
270.99463	1.2
271.02441	9.3
272.03223	2.2
273.00385	4.5
273.03943	2.3
274.01169	15.9
275.01950	100.0
276.02249	7.8
279.03110	1.1
281.00845	3.3
282.01697	2.7
283.02466	2.8
283.99564	2.6
284.02899	1.7
285.03970	2.5
286.01157	2.5
287.01898	6.9
288.02692	7.8
289.03375	2.4
291.01483	1.4
295.02411	1.9
297.04056	1.5
298.01141	3.0
299.01920	69.2
299.99023	3.4
300.02347	8.2
300.99896	74.0
301.03366	5.7
302.00220	5.6
303.01471	4.6
304.02005	1.4
311.01874	2.5
312.02594	2.4
312.99860	2.1
313.03522	5.6
314.00659	4.3
314.03772	0.9
315.01520	2.5
316.02136	1.1
317.02985	15.0
323.01913	1.6
325.03317	1.2
329.02975	12.4
340.02234	2.0
341.02991	15.2
342.03268	1.5
343.01007	2.1
347.04083	2.0
359.03894	1.9
365.02884	1.9
366.08374	1.4
367.04504	2.0
371.04150	1.2
383.04141	2.0
385.05911	1.5
401.05252	2.1
419.06131	7.8
421.04126	2.4
437.07233	9.1
459.54208	1.0
463.05023	4.1
465.03665	1.0
481.06219	33.0
482.06522	3.7
507.04453	5.9
600.25983	1.0
634.77722	1.0
721.06836	5.0
722.07520	1.3
765.05432	1.9
783.06836	38.2
784.07227	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.7
61.98845	0.8
63.02375	0.5
65.00327	1.4
65.93380	0.5
69.43621	2.5
69.44027	0.8
71.01373	4.6
72.99308	0.7
73.02951	1.1
74.24346	0.4
76.05473	0.4
83.01397	1.5
85.02935	4.6
86.77190	0.4
89.02445	2.1
95.01392	0.6
96.96004	7.3
98.20635	1.0
99.00873	0.8
101.02425	3.1
103.22311	0.5
107.01402	2.3
108.02169	1.0
109.02969	1.0
113.02450	2.8
119.03521	0.8
121.02980	0.8
123.04551	0.6
125.02435	1.0
135.00848	0.9
137.02411	0.7
145.05072	1.7
148.01672	1.6
151.00362	5.7
153.01947	0.5
161.02486	0.6
161.04599	1.2
163.00392	1.3
164.01091	0.7
165.05574	0.6
169.01411	0.8
171.04486	0.5
178.99861	4.1
187.03931	0.6
199.03995	1.9
201.01991	0.6
203.03426	0.5
209.15984	0.5
211.03952	0.9
215.03473	1.4
216.04280	0.7
226.02647	2.1
227.03477	3.6
229.01477	0.6
243.02965	12.5
244.03508	1.0
254.02223	2.0
255.02959	26.1
256.03357	2.1
271.02451	69.9
272.02942	6.0
284.03094	0.5
285.03995	1.8
286.04279	0.8
287.09567	0.6
289.07181	0.6
291.10953	0.5
299.01962	11.3
300.02725	100.0
300.99771	1.1
301.03204	13.2
315.01431	0.7
349.18399	1.2
505.20825	0.7
511.23831	1.0
670.93353	0.5
679.35004	1.6
697.36304	1.5
723.17273	1.7
739.37543	1.1
783.19781	56.2
784.20148	11.4
787.22473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53704	0.6
59.01376	2.6
61.98829	0.6
65.00327	1.7
71.01368	2.2
78.95901	1.0
79.95729	3.7
83.01369	2.0
85.02946	0.6
89.02445	1.2
96.96004	100.0
101.02451	0.9
107.01383	3.3
108.02169	2.3
109.02943	3.7
113.02441	1.0
117.58501	0.6
121.02931	2.3
125.02435	1.5
135.00882	1.1
137.02423	0.7
140.02879	0.5
148.01654	1.2
149.02425	1.3
150.03242	1.0
151.00351	13.1
152.01155	0.9
153.01904	1.5
157.08742	0.7
161.06067	0.8
163.00343	2.1
163.04016	0.9
164.01125	0.9
165.05548	1.5
169.01360	0.8
178.99840	8.2
187.03935	1.4
191.03256	0.7
195.02954	2.7
195.06544	1.0
199.03993	1.0
201.01790	0.7
201.05472	0.6
205.04929	0.6
211.03969	1.3
215.03419	0.9
226.02765	1.5
227.03436	3.3
229.05055	1.4
233.04594	0.6
243.02931	11.0
244.03557	1.3
245.04616	0.9
254.02112	2.3
255.02924	26.5
255.05087	2.3
256.03339	2.3
271.02444	58.4
272.02975	5.9
273.03949	1.4
283.02396	1.0
289.07159	1.1
299.01923	1.0
300.02713	92.3
300.99872	1.3
301.03397	36.1
302.03860	2.7
305.10492	0.7
319.13913	4.1
463.08838	15.4
464.08908	2.0
467.13705	0.9
569.43414	0.6
741.18909	2.5
783.19812	52.6
784.20093	11.0
807.12079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
63.10493	0.4
65.00320	0.7
65.73393	0.4
67.97543	0.4
71.01374	1.1
71.61623	0.4
79.95727	1.2
83.01373	0.6
85.02933	0.4
89.02451	1.0
92.09970	0.5
96.96004	31.6
98.95654	0.4
101.02420	0.8
107.01379	1.7
108.02177	0.9
109.02968	1.0
110.79663	0.4
111.08131	1.2
113.02397	0.4
121.02915	1.5
125.02444	1.0
148.01636	1.1
150.03198	0.5
151.00365	7.9
157.08707	3.4
159.04533	0.4
162.99092	0.4
163.00392	2.0
163.04025	0.4
178.99892	3.1
195.02879	0.5
199.03970	0.5
211.03990	0.8
226.02730	1.0
227.03433	1.3
229.05122	0.5
243.02965	5.4
244.03294	0.8
245.04619	0.7
254.02150	1.4
255.02946	15.0
255.04971	0.7
256.03400	1.2
271.02448	31.8
272.02802	3.0
273.03854	0.6
275.01712	0.4
283.02374	1.0
284.71875	0.4
299.02078	0.5
300.02725	73.0
301.03412	30.2
302.03824	2.0
319.08459	0.9
319.13922	9.3
320.14389	0.6
408.76898	0.4
417.15671	0.8
441.12320	0.6
463.08780	100.0
464.09116	12.2
467.13257	0.5
783.18665	1.9
808.57007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.82667	0.2
71.01389	0.7
71.61586	0.3
79.95728	3.3
80.19298	0.2
80.96493	0.2
83.01381	0.2
85.02937	0.3
89.02438	0.3
93.96982	0.2
95.95255	1.2
96.96008	78.2
97.95950	0.2
118.43622	0.2
119.05082	0.9
123.00871	0.3
123.04494	0.3
125.02393	0.3
145.02940	0.3
148.12402	0.2
150.03175	0.2
166.02687	0.7
169.01393	0.3
181.05051	0.7
211.46069	0.2
248.50055	0.2
273.11624	1.4
275.01962	0.7
289.06903	0.3
291.12704	0.6
300.99854	1.5
302.00238	0.3
307.12201	0.6
308.12628	0.2
417.15555	1.4
418.15836	0.3
453.17969	100.0
454.18265	12.4
591.26941	0.2
691.01593	0.2
783.07617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98826	100.0
63.96220	1.7
70.62868	0.7
70.63194	1.2
71.01379	7.2
73.02955	1.7
78.95900	1.9
78.98589	6.3
79.95732	13.7
80.96513	75.1
81.03469	1.0
82.95428	0.6
82.96114	0.8
85.02945	2.5
87.00880	2.5
94.98081	15.3
96.95998	1.3
97.02939	1.6
101.02425	1.5
106.97433	0.7
106.98045	3.3
122.97571	2.9
125.02435	3.2
127.04001	1.1
134.97577	5.7
136.99124	1.2
148.99126	5.7
152.98596	5.8
164.98611	11.5
201.11320	1.2
206.99628	2.8
207.10303	1.1
209.11847	3.2
225.00713	19.4
225.11327	0.6
225.62608	0.8
226.00865	0.7
227.00287	1.0
255.23227	1.4
277.21722	3.6
278.21927	0.9
281.24786	1.0
283.04623	0.6
483.15283	2.4
527.17822	1.5
537.27252	1.0
655.11487	0.6
739.39282	4.0
740.39984	1.1
765.41418	0.8
783.41901	95.3
784.42236	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	784.361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92961	0.1
59.01370	0.6
61.98827	100.0
62.98559	0.2
65.05317	0.1
66.35652	0.1
68.99565	0.3
71.01385	0.8
71.58743	0.1
73.02940	0.2
79.95750	0.2
80.96528	0.3
83.01412	0.1
85.02962	0.4
87.00956	0.2
88.98804	0.2
89.02479	0.3
94.15736	0.1
96.96006	3.4
99.00865	0.1
101.02455	0.4
111.46849	0.1
112.98592	0.4
113.02467	0.3
116.92917	0.1
125.02383	0.2
134.78961	0.1
138.92305	0.1
144.06940	0.1
161.04596	0.1
209.11867	0.2
225.11320	0.2
286.13412	0.1
296.02603	0.1
390.53094	0.2
513.56830	0.1
585.19952	0.1
783.50183	0.2
784.36163	0.2
784.49164	1.0
785.37439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.98828	100.0
62.98522	0.1
63.99259	0.1
68.99570	0.4
70.88463	0.2
71.01389	0.1
79.95740	0.1
96.96004	2.1
100.20403	0.1
112.98586	0.4
209.11803	0.2
785.38440	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98540	0.2
71.01377	0.3
73.02924	0.1
78.98586	0.1
79.95738	0.3
80.96509	1.3
94.98089	0.3
105.39287	0.1
145.08582	0.1
148.99095	0.1
152.98622	0.1
164.98636	0.2
184.70491	0.1
207.10295	0.1
209.11871	0.8
225.00745	0.3
229.20799	0.1
253.09166	0.2
277.21738	0.6
278.22043	0.2
279.23322	0.4
337.94067	0.1
588.39764	0.1
784.42004	1.6
785.38647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98830	100.0
62.98540	0.2
71.01377	0.8
73.02961	0.1
78.95937	0.1
78.98597	0.5
79.95733	0.9
80.29744	0.1
80.96516	6.3
81.03446	0.1
82.95425	0.9
82.96096	0.2
84.00918	0.2
84.95123	0.3
85.02933	0.2
87.00864	0.2
89.02449	0.1
94.98090	1.4
96.96056	0.1
97.02962	0.2
98.20761	0.3
101.02452	0.4
106.98095	0.3
107.21388	0.1
122.97579	0.3
125.02472	0.3
134.97633	0.3
141.20375	0.1
148.99164	0.6
152.98651	0.4
164.98615	0.9
190.00932	0.1
206.99742	0.2
207.10254	0.1
209.11815	2.3
210.12178	0.6
219.70384	0.1
225.00726	1.7
226.01160	0.3
227.12975	0.6
228.13123	0.1
235.08147	0.2
253.09181	0.2
277.21710	2.6
278.22012	1.5
406.71426	0.1
484.15536	0.2
724.42847	0.2
740.39941	0.2
783.41858	0.7
784.42200	6.3
785.38812	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	784.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
61.98826	100.0
62.98536	0.2
71.01382	0.1
78.98602	0.1
79.95724	0.2
80.96502	1.0
82.96899	0.1
87.00901	0.1
89.02451	0.1
91.27024	0.1
94.98103	0.3
101.02460	0.2
114.84962	0.1
122.96468	0.1
138.09605	0.1
139.73689	0.1
149.22453	0.1
152.98653	0.1
164.98659	0.1
175.00499	0.1
205.56032	0.1
207.10286	0.1
209.11829	0.8
210.12215	0.2
225.00723	0.2
225.11362	0.1
229.09476	0.1
277.21652	0.8
278.22208	0.4
439.46405	0.1
536.10492	0.1
784.42493	0.7
785.37964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03443	2.8
58.00592	1.7
59.01376	58.5
61.98814	1.0
67.09586	0.8
69.03459	2.6
71.01382	16.1
71.61707	1.0
72.99296	2.8
73.02940	9.8
75.00883	1.4
79.95730	1.2
81.77271	0.7
83.01392	3.9
85.02948	15.9
86.00067	1.1
87.00876	3.2
87.04548	0.9
89.02441	5.5
95.01392	1.2
96.96007	5.7
97.02982	1.1
99.00903	1.8
101.02435	10.7
103.04049	0.9
108.02134	1.0
111.00859	1.1
113.02448	5.5
119.03488	1.3
121.02943	2.6
122.03742	2.3
123.04510	0.8
125.02429	2.7
135.04517	6.5
137.02379	1.2
148.05302	1.7
149.06071	1.3
150.03212	2.2
151.00356	0.9
151.04005	1.8
161.02374	1.6
161.04599	2.2
164.04784	1.0
165.05588	1.2
166.06339	30.0
166.07695	1.8
167.07100	9.9
176.04883	1.2
179.03516	1.9
181.08690	42.3
182.08893	2.1
187.13338	2.1
194.05838	3.2
195.06590	4.0
209.08237	5.5
267.55832	0.9
271.02405	1.4
272.02798	1.0
287.48920	0.8
300.02548	0.9
301.03079	1.4
309.13400	4.5
312.12155	7.4
327.14465	90.0
328.14856	7.4
331.17618	13.5
332.18018	1.1
340.77222	0.9
349.18692	13.2
350.19000	1.3
369.15384	2.0
373.18753	2.1
391.19748	10.5
393.21286	1.3
492.19916	0.9
503.19208	6.0
504.19727	1.0
505.21106	1.5
506.21182	1.6
507.21570	2.0
519.21857	3.9
519.31305	1.6
537.23358	100.0
538.23785	18.0
579.24561	13.2
579.33099	0.9
580.24701	2.7
681.36676	6.2
699.37982	3.5
722.96179	1.1
741.38538	3.1
741.50873	1.1
785.19360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.73198	0.7
59.01371	6.3
61.98826	56.0
62.58357	0.8
63.96232	2.0
66.17760	0.6
68.99570	1.0
69.03455	1.1
69.74969	0.6
70.42479	0.7
71.01379	9.4
71.61347	1.0
73.02932	1.8
75.00863	2.0
76.83182	0.8
78.07740	0.7
78.91904	0.8
78.95921	1.1
78.98584	4.5
79.65791	0.7
79.95732	100.0
80.96512	76.2
81.03475	1.4
85.02926	3.7
87.00857	2.9
88.98810	0.8
89.02386	0.8
92.42645	0.8
94.98082	15.2
95.01411	1.0
96.36414	0.7
96.96002	24.9
97.02953	1.8
98.87508	0.9
99.00885	1.6
101.02441	3.3
106.98090	3.1
112.98564	0.9
113.02446	2.2
115.00391	0.8
120.67589	0.7
122.97578	5.4
125.02442	3.8
127.03983	1.0
134.97578	6.3
136.99112	3.1
148.99146	6.4
151.45007	0.7
152.98642	6.7
161.04546	2.4
164.98611	11.2
179.00182	0.8
192.93333	0.7
206.99715	6.7
209.11763	2.5
223.99747	1.0
225.00708	24.0
226.01009	1.2
241.00250	2.5
283.04874	2.4
300.99881	1.2
341.05450	6.5
355.07062	2.8
360.06506	0.7
397.11688	0.8
408.36810	0.7
425.14847	5.9
541.19427	5.6
569.18927	3.1
583.19983	0.8
613.21509	1.4
614.22504	0.9
627.23114	1.5
641.24951	2.5
653.28613	2.7
655.25281	0.8
681.28040	1.2
683.29077	2.8
739.32086	1.2
767.31641	35.4
768.31708	8.0
785.32550	46.4
786.33008	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	785.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
57.03432	4.5
57.89768	1.0
58.00586	1.2
59.01377	32.0
61.98819	2.6
67.54333	1.1
68.00327	1.0
68.99788	1.5
69.03454	1.9
70.34853	3.8
71.01002	2.2
71.01378	31.0
72.99299	8.3
73.02950	6.7
75.00869	14.9
78.95893	1.1
79.95702	2.4
81.03487	1.2
83.01380	4.6
85.02944	21.9
87.00861	8.5
88.98742	2.2
89.02445	12.4
95.01372	5.3
96.96009	45.1
97.02930	1.5
98.95573	4.6
99.00882	8.7
101.02442	12.5
103.00362	2.0
108.02121	2.4
109.02930	1.7
111.00877	1.5
111.47547	1.1
113.02446	22.7
115.00395	1.6
116.95057	1.0
117.01889	1.3
119.03465	3.6
123.04482	2.5
125.02446	5.4
125.09727	1.0
129.01920	1.9
131.03477	3.7
131.32719	0.9
135.46707	1.0
137.02391	3.0
143.03525	1.9
150.03236	1.3
152.01155	2.1
161.04552	5.4
163.03990	1.5
165.05580	1.5
167.03462	2.9
169.01407	3.2
175.02475	1.4
177.01872	1.2
179.05612	4.9
185.11845	2.2
195.06683	1.3
203.05576	1.3
215.12881	5.9
221.06639	14.8
222.06871	2.1
224.59306	1.1
249.06116	6.0
263.07626	2.9
266.59628	1.0
275.98843	1.1
277.05267	1.0
284.03418	1.0
289.11093	13.1
290.11496	2.2
291.11349	1.0
299.01944	1.0
300.99960	1.3
301.03378	1.0
303.23987	1.1
306.08340	1.3
311.22162	1.1
329.23148	1.4
343.24774	2.2
355.24902	8.7
356.24832	1.6
357.15457	3.3
357.26517	7.5
372.24585	1.2
373.22186	1.1
373.26019	13.9
374.25900	3.2
375.27463	58.5
376.27689	4.9
389.29291	1.8
417.28500	3.5
519.31622	1.6
535.31146	17.4
536.31573	3.2
537.32703	8.7
579.33722	21.2
580.34052	3.3
591.74121	1.2
741.39111	2.3
785.38098	100.0
786.38446	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	785.469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
59.01376	3.9
61.98827	90.4
62.98531	0.7
63.99257	0.8
71.01379	4.2
73.02929	2.1
78.95907	0.7
78.98609	1.0
79.95735	3.2
80.02651	0.8
80.96513	13.8
81.03468	0.8
82.96076	2.1
82.96941	0.5
83.05054	2.1
85.02953	1.6
87.00869	2.0
89.02443	2.0
94.98082	2.9
98.20651	1.0
99.00860	0.5
99.92565	0.9
101.02442	3.6
113.02455	0.8
116.92853	10.9
116.97237	0.7
117.92887	0.7
119.03495	0.9
122.97617	0.6
125.06093	0.6
130.15065	0.5
134.97612	1.5
148.99135	0.9
152.98611	1.2
158.97992	0.4
161.04494	0.9
163.11264	2.4
164.98651	2.2
165.12805	1.1
166.98280	0.5
179.80002	0.5
184.43945	0.4
197.11826	1.7
206.99483	0.6
209.11812	61.5
210.12192	3.9
225.00714	3.7
227.12877	8.2
228.13226	0.4
232.10022	0.5
235.08188	4.1
253.09250	7.4
274.23624	0.5
277.21738	2.2
279.23270	100.0
280.23654	8.7
445.20804	0.5
515.32214	1.0
622.74353	0.5
760.64423	0.5
785.38568	13.1
786.38220	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	785.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98829	100.0
62.98531	1.5
71.01385	3.6
71.04803	1.0
73.02932	1.0
78.98607	1.7
79.95724	3.0
80.02689	0.5
80.96515	17.3
81.03442	0.7
82.96110	1.9
83.01367	0.6
83.05013	2.9
84.02165	0.6
85.02962	1.6
87.00895	1.6
89.02460	1.7
94.98083	3.1
97.02969	0.7
99.00909	0.6
99.92594	1.8
101.02437	3.1
106.98061	0.5
113.02428	1.0
115.95066	0.5
116.92857	13.9
116.97247	0.7
117.01949	1.1
117.92902	0.6
125.02458	0.8
134.97546	1.3
137.99611	0.5
147.21774	0.5
148.99130	1.4
152.98607	0.9
161.04546	1.5
163.11272	1.8
164.98590	2.3
165.12814	1.3
181.75935	0.5
197.11786	1.3
206.99597	0.7
207.10185	0.6
209.11812	63.5
210.12230	3.3
225.00768	4.3
227.12874	8.4
235.08182	5.6
241.01511	0.5
253.09256	8.2
277.21786	3.2
279.23270	96.6
280.23630	9.7
445.20688	0.9
515.32269	0.9
695.71008	0.5
785.38745	13.4
786.38525	3.3
807.00751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13929	0.0
59.01358	0.1
61.98826	100.0
62.17065	0.0
62.98532	0.2
69.03424	0.0
71.01385	0.1
78.95921	0.1
78.98608	0.1
79.95710	0.3
80.96508	1.3
86.54994	0.0
86.62042	0.0
87.00897	0.1
94.98093	0.3
96.84229	0.0
97.02965	0.1
101.02478	0.0
103.14363	0.0
106.98093	0.1
122.86243	0.0
122.97616	0.1
125.02460	0.1
127.03957	0.0
134.97600	0.1
148.99155	0.1
152.98637	0.1
164.98647	0.2
172.12553	0.0
209.11826	0.3
210.12167	0.2
211.12392	0.1
225.00694	0.4
227.12938	0.1
255.23433	0.0
277.21912	0.1
278.22110	0.1
279.22653	0.1
313.60580	0.0
352.54724	0.0
496.33240	0.1
547.51471	0.0
626.88696	0.1
786.99561	0.0
787.39319	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	786.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21688	0.1
61.98826	100.0
62.98530	0.2
79.95753	0.1
80.96521	0.7
90.47278	0.1
94.98086	0.2
98.19917	0.2
148.99219	0.1
152.98698	0.1
164.11809	0.1
209.11847	0.2
210.12320	0.2
212.83199	0.1
225.00763	0.1
229.32291	0.1
264.34683	0.1
277.21771	0.2
278.22137	0.3
308.54285	0.1
448.47571	0.1
531.19916	0.1
614.21991	0.1
711.07794	0.1
787.39252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23738	0.1
59.80951	0.1
61.98827	100.0
62.98534	0.3
63.99262	0.5
71.01408	0.1
71.41457	0.2
79.95729	0.3
80.96513	1.5
82.96117	0.1
84.95137	0.3
87.00903	0.3
94.98098	0.3
134.97519	0.1
148.99109	0.1
164.98567	0.2
173.35144	0.1
209.11929	0.2
225.00781	0.3
273.77454	0.1
277.21777	0.2
786.38489	1.1
787.38361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03440	0.4
58.00585	1.4
59.01377	29.2
65.75654	0.4
69.54520	1.7
69.54933	0.9
69.86146	0.4
71.01376	20.1
72.01706	0.3
72.99297	2.4
73.02950	0.9
79.01862	0.4
83.01389	1.9
85.02949	5.2
87.00867	0.8
87.01937	0.4
89.02443	22.0
89.21053	0.4
90.94855	0.4
91.05540	0.6
95.01382	2.9
96.96023	1.9
98.19895	0.7
99.00874	1.1
101.02438	14.1
107.01397	1.0
111.00906	0.4
113.02439	7.4
119.03497	8.7
119.04918	0.4
120.92632	0.4
123.00878	5.1
124.01665	0.5
125.02457	5.8
126.02791	0.4
127.00367	0.4
130.78244	0.4
131.03476	0.5
136.98900	0.5
139.00322	2.0
140.01140	1.3
141.01865	0.4
143.03477	0.5
147.04509	0.7
147.08162	0.4
147.54141	0.4
151.00366	3.8
158.23013	0.4
161.02422	0.4
161.04605	0.5
168.00598	1.0
169.01410	7.0
170.01729	0.4
175.82947	0.4
177.04016	0.6
179.05594	0.8
211.02408	0.8
271.04843	0.4
275.01831	0.4
301.00021	0.5
313.05798	0.7
327.10754	1.3
328.11191	1.0
371.13425	100.0
372.13779	9.5
415.12411	40.7
416.12762	4.1
416.48764	0.4
453.10104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98826	0.6
68.99560	0.1
71.01395	0.1
78.95897	0.5
79.95734	3.7
80.96546	0.1
82.95433	0.0
83.05040	0.1
85.02944	0.1
88.35672	0.1
94.98120	0.1
96.96005	100.0
97.95934	0.4
97.96439	0.1
98.20779	0.1
101.02443	0.1
112.98552	0.1
113.02457	0.1
116.92806	0.0
130.38470	0.0
197.11838	0.2
209.11813	0.2
221.49048	0.0
230.00383	0.1
250.93727	0.0
426.48053	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	28.2
61.98825	55.2
71.01375	36.5
71.57886	7.2
71.58263	8.9
73.03003	8.1
75.02016	8.0
78.95911	10.6
83.05009	8.8
87.00910	9.7
89.02443	17.2
96.96004	22.7
101.02447	12.4
102.49585	8.2
107.91274	9.6
109.06593	31.7
113.02488	13.3
125.09615	8.1
134.12541	8.2
163.11298	21.7
171.10255	20.3
195.13870	9.2
197.11829	9.4
207.10236	90.1
209.11842	100.0
225.11244	47.7
227.12901	9.9
253.09267	34.6
263.09183	8.4
289.18051	34.2
291.19696	54.1
293.21194	53.7
307.19095	65.7
347.43143	8.4
461.20358	17.1
635.30713	25.3
733.37903	25.6
734.37952	13.3
751.39124	46.8
752.39539	21.0
787.36566	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	787.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98528	0.6
62.99268	0.3
63.96233	0.5
63.99250	0.6
69.03461	0.3
71.01379	2.6
73.02934	0.4
75.00863	0.3
78.95908	0.5
78.98592	2.0
79.95734	4.0
80.96514	22.0
81.03419	0.3
85.02937	0.8
87.00882	0.9
89.02480	0.2
94.98088	5.2
96.96021	0.7
97.02960	0.7
99.00883	0.3
101.02399	0.8
106.98088	1.0
122.97572	1.0
125.02438	1.2
127.04034	0.4
130.54999	0.2
134.97565	1.4
136.99141	0.5
148.99121	1.8
152.98604	1.9
152.99709	0.2
163.11374	0.2
164.98621	3.3
165.00011	0.2
171.10248	0.2
206.99605	0.8
209.11827	0.9
225.00706	6.4
229.14609	0.2
262.39819	0.2
277.21707	0.5
279.23355	0.3
295.19931	0.2
305.34137	0.2
509.16864	0.5
528.89215	0.2
559.25378	0.5
563.55518	0.2
635.91333	0.2
662.39935	0.2
714.43304	0.3
787.39349	23.6
788.39600	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12276	14.3
56.50335	12.0
61.98825	100.0
65.66074	12.4
65.71896	12.0
71.01389	34.1
71.20597	27.5
78.95915	26.8
96.95998	27.5
125.02462	14.0
153.28354	13.3
171.10208	17.1
197.11794	23.7
209.11797	33.5
211.13402	16.3
223.13362	57.9
225.11301	17.9
309.20758	21.5
395.02496	14.9
493.61710	13.6
665.55347	18.0
787.40350	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
58.00574	1.0
59.01376	7.4
61.44863	0.6
61.98824	4.2
67.04369	0.5
68.99557	1.5
69.03446	1.4
71.00999	0.9
71.01378	14.8
71.05015	1.4
71.57964	0.5
72.99277	1.2
73.02931	1.9
79.95726	0.9
80.02670	1.5
81.03440	1.5
83.01366	1.3
83.05016	5.8
84.02174	4.2
85.02943	3.0
87.00870	2.9
89.02449	5.0
91.04018	0.6
91.65435	0.5
95.01358	1.1
95.05025	1.4
96.96004	27.4
97.02920	2.8
97.06586	5.1
98.95587	0.9
99.00893	1.3
99.04547	0.7
101.02434	6.7
108.02155	0.6
109.06600	5.6
111.04530	1.6
111.08147	0.6
112.98539	1.8
113.02421	3.2
119.03462	1.5
119.08638	0.5
123.08146	0.8
125.02468	1.0
125.06055	1.0
125.09712	2.7
127.07621	1.2
127.11282	1.1
128.90150	1.9
129.01945	1.1
131.03505	0.8
135.08131	1.6
137.02361	0.7
137.09671	1.2
139.07643	0.8
142.02773	0.7
143.03491	0.8
145.05118	0.5
149.09682	0.8
151.11279	1.6
153.09180	1.4
155.10759	0.9
161.04549	2.4
161.09689	1.1
163.11250	5.6
165.12807	3.0
169.12340	0.7
171.10258	29.4
172.10567	0.8
179.05553	1.0
179.10722	1.5
181.12344	2.4
185.11806	1.7
191.10716	1.6
193.12331	4.2
197.11816	5.4
199.09837	0.5
199.13387	0.9
201.11327	8.7
204.88306	0.6
205.08791	0.9
207.10237	5.7
209.11801	100.0
210.12144	5.6
211.13402	5.5
215.12857	1.1
221.11809	1.0
223.09747	4.6
224.10095	0.6
225.11316	9.1
225.14868	5.4
226.11662	0.6
227.12860	14.3
228.12889	0.5
229.14514	1.3
235.08205	7.6
235.13380	0.9
237.14944	1.3
239.12907	1.0
243.15834	2.4
253.09265	19.4
254.09700	1.1
265.14539	0.7
287.16519	0.8
289.18057	0.7
291.19577	1.7
305.17465	1.8
307.19229	1.0
309.20663	1.1
319.43448	0.5
323.18777	1.0
323.22174	1.1
325.20206	10.4
326.20425	0.7
327.21780	6.9
328.22290	0.8
341.23291	54.0
342.23654	5.2
364.96616	0.6
407.19019	0.8
421.98694	0.5
445.20490	1.7
459.18661	1.4
461.20200	1.4
533.34650	1.8
577.32452	1.4
742.99738	0.6
769.40363	1.7
770.40857	0.7
787.41577	3.0
788.41888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38763	0.3
57.03440	0.6
57.36945	0.3
59.01372	5.5
61.98830	1.6
68.99567	4.4
69.03459	1.3
71.01376	6.1
71.05012	0.4
72.99319	0.5
73.02952	1.3
75.00864	0.4
78.95889	0.8
79.95729	1.4
80.02669	0.8
81.03448	1.7
83.01389	0.8
83.05024	6.0
84.02155	2.0
85.02943	1.5
87.00876	1.4
89.02429	3.7
89.31050	0.3
91.04028	0.4
93.03429	0.3
95.05037	1.4
96.96006	52.2
97.02955	0.7
97.06586	6.0
97.95925	0.4
98.19852	0.8
98.95598	0.7
99.00866	0.5
99.04527	0.6
101.02442	3.8
109.02864	0.4
109.06577	1.3
112.98565	4.8
113.02438	2.2
116.85432	0.4
116.92872	0.9
119.03493	0.8
121.10213	0.3
125.02450	0.5
125.06098	0.7
125.09726	1.1
127.11247	0.5
128.90161	0.7
135.08147	0.8
137.09703	0.7
149.13255	0.5
161.04565	2.7
163.11287	4.0
165.12817	2.8
171.10255	9.0
172.10562	0.5
179.05577	0.9
181.12346	0.6
185.11896	0.6
191.10780	1.0
193.12323	7.6
197.11789	1.0
197.15382	0.3
201.11311	1.0
207.10318	0.9
209.11809	100.0
210.12146	5.9
211.13353	2.7
221.11754	0.5
223.09848	0.7
225.11569	1.5
225.14935	11.5
225.17110	0.7
226.15382	0.8
227.12851	11.5
228.13242	0.6
229.14513	0.5
235.08208	5.5
243.16023	5.0
253.09267	15.0
253.14383	1.4
254.09480	0.9
291.19675	0.8
323.22235	1.0
325.20145	1.9
327.21750	1.0
341.23288	69.6
342.23645	6.9
445.20654	1.8
533.34637	3.2
534.35492	0.4
544.49957	0.4
551.36285	0.5
577.32367	2.1
749.40393	0.7
787.43304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03442	0.6
58.00576	0.3
59.01379	5.2
61.74567	0.2
61.98830	2.0
68.99554	2.1
69.03461	1.3
71.01373	5.5
71.05016	0.3
71.60211	0.4
72.99309	0.4
73.02943	1.2
74.00671	0.3
79.95756	0.5
80.02261	0.3
80.02660	1.3
81.03448	1.6
83.01371	0.8
83.05016	4.7
83.70686	0.3
84.02158	2.5
85.02963	1.8
87.00878	1.3
88.54533	0.3
89.02434	3.3
90.44392	0.2
91.71684	0.2
92.51251	0.2
93.03463	0.4
95.01387	0.5
95.05017	1.5
96.96005	15.4
97.02949	1.2
97.06570	4.1
98.95604	0.4
99.00861	0.4
99.04522	0.9
101.02426	3.9
108.02150	0.4
109.02906	0.3
109.06573	1.0
111.04517	0.3
111.08141	0.5
112.98557	2.6
113.02455	2.5
116.92839	1.7
119.03479	0.7
119.08562	0.3
125.02449	0.5
125.06049	1.0
125.09756	1.4
127.07637	0.3
127.11287	1.0
128.90118	0.4
133.05055	0.3
135.08160	1.1
137.09694	0.7
139.07651	0.9
143.03500	0.7
144.77327	0.3
145.04945	0.5
151.11328	0.4
153.09145	0.7
155.10789	0.3
161.04572	1.8
161.09705	0.4
163.11285	4.9
165.12819	2.7
169.08658	0.8
171.10260	14.9
172.10614	0.6
175.11353	0.4
176.37576	0.2
179.05634	0.6
179.10745	0.3
181.12408	0.6
183.10225	0.3
185.11842	0.9
191.10712	1.3
193.12300	5.5
197.11823	1.8
197.15416	0.3
201.11302	7.2
202.11667	0.4
207.10254	2.1
209.11803	100.0
210.12157	5.6
211.13344	2.5
213.11212	0.4
221.11742	0.6
223.09738	0.7
225.11397	3.4
225.14897	6.0
226.15254	0.6
227.12862	11.8
228.13179	0.7
229.14467	0.3
233.79362	0.3
235.08200	5.9
235.13298	0.3
236.08430	0.3
237.14992	0.6
243.12248	0.3
243.15993	3.3
244.16121	0.3
253.09261	15.1
253.14389	0.6
254.09621	0.9
287.16504	0.4
289.18173	0.5
291.19626	0.8
305.17569	1.6
305.20972	0.5
307.18979	0.8
309.20691	0.3
323.18692	0.5
323.22235	1.2
325.20148	3.3
326.20474	0.5
327.21744	1.5
341.23282	54.7
342.19400	0.3
342.23611	5.7
445.20801	1.3
461.20615	0.7
533.34753	1.9
534.35205	0.4
541.26678	0.3
572.22626	0.3
577.32245	1.6
594.51245	0.3
751.42078	0.4
769.40137	0.9
770.39532	0.3
787.40961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
60.99317	0.6
61.98828	30.0
63.96243	0.9
71.01383	5.5
71.05029	1.4
71.57661	0.9
73.02945	1.0
74.21511	0.5
78.95904	5.2
78.98592	3.7
79.95732	8.7
80.96516	42.9
81.03468	0.7
82.51922	0.5
83.05065	0.6
85.02963	1.5
87.00885	1.4
88.98820	0.6
92.53719	0.5
94.98083	9.1
96.96033	1.1
96.96972	0.6
97.02950	1.0
97.06580	5.7
101.02420	1.1
106.14133	0.6
106.98101	1.7
110.62930	0.5
122.97595	2.1
125.02456	2.3
134.97588	3.3
135.71732	0.5
136.99176	0.8
148.99184	3.2
152.37091	0.6
152.98575	3.4
163.11403	0.6
164.98601	6.3
168.04233	0.8
206.99713	1.6
209.11739	4.8
225.00737	11.5
238.62660	0.6
241.14384	0.9
261.39075	0.5
277.21591	0.9
277.64401	0.5
279.23288	14.2
292.39847	0.6
372.05582	0.7
373.25546	0.7
374.25931	0.7
389.28680	2.3
390.78653	0.6
391.30032	3.3
405.31595	6.2
406.31882	1.1
407.33148	8.7
408.33649	1.4
437.30753	1.0
437.54053	0.6
439.31995	1.8
441.33713	10.1
442.34030	1.7
451.32156	34.1
452.32364	5.1
453.33704	100.0
454.34042	14.8
471.34714	2.4
485.36359	74.9
486.36633	12.3
497.32681	7.9
498.33301	1.1
509.16943	1.0
559.25769	1.0
687.79248	0.7
714.43384	10.8
728.45251	1.7
787.39404	40.3
788.39716	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	788.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22189	0.1
61.98827	100.0
67.49774	0.1
69.31825	1.1
71.01391	0.5
78.98597	0.3
79.95728	0.7
80.96511	3.6
82.96106	0.2
87.00885	0.2
94.98051	0.8
96.96060	0.1
98.20677	0.3
101.02472	0.1
104.88536	0.1
125.02413	0.1
129.59721	0.1
131.45146	0.1
148.99170	0.4
152.98643	0.4
164.98662	0.6
175.06450	0.1
225.00720	1.2
279.23294	0.2
455.35501	0.6
456.35828	0.3
509.17334	0.2
512.69965	0.1
568.39587	0.1
788.39209	0.2
789.40912	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	788.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87040	0.1
59.01339	0.1
59.44752	0.1
61.98827	100.0
62.98540	0.2
70.74189	0.2
70.74525	0.2
71.01390	0.2
78.95918	0.1
79.95728	0.2
80.96513	1.2
94.98102	0.3
105.14958	0.1
118.91791	0.1
118.92667	0.1
164.98654	0.2
195.98868	0.1
209.11829	0.2
225.00764	0.4
279.23346	0.2
280.23648	0.2
358.14648	0.1
493.42053	0.1
503.68405	0.1
514.72198	0.1
584.13525	0.1
646.83081	0.1
764.86060	0.1
788.39990	0.1
789.40961	1.6
789.54761	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19960	0.1
61.98825	100.0
62.98542	0.2
63.99252	0.3
70.48943	0.3
71.01381	0.2
78.95890	0.2
79.95729	0.2
80.96509	1.0
92.78200	0.1
94.98071	0.2
123.43139	0.1
148.99228	0.1
160.58282	0.1
209.11833	0.4
211.12332	0.1
225.00734	0.3
260.74310	0.1
279.23300	0.1
530.54620	0.1
665.96777	0.1
789.40656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72564	2.2
59.01366	5.6
61.98829	34.0
68.99567	100.0
69.03443	2.5
71.01368	6.8
73.07435	2.5
78.95885	5.2
80.96507	4.8
81.58445	2.6
83.05008	3.1
90.78051	2.5
96.95994	9.6
98.19758	5.6
101.02441	3.5
109.06571	6.4
111.08152	2.9
112.98560	81.9
112.99875	5.2
113.02409	7.6
163.11241	4.8
197.11844	11.3
207.10231	36.9
209.11801	30.1
211.13356	5.0
225.11356	15.8
226.11665	2.3
227.12827	6.3
235.08307	6.6
253.09274	14.0
263.20139	4.6
291.19528	8.9
307.18994	15.6
309.20724	33.9
310.21088	3.2
334.60529	2.3
443.18784	4.4
445.20807	3.6
461.20364	4.4
543.28021	3.3
545.29840	3.0
664.52020	2.8
735.39435	8.0
753.40588	30.3
754.41168	8.8
774.54114	2.7
789.38257	32.8
790.38397	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	789.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
61.98825	100.0
66.98376	1.4
71.01371	6.6
78.95901	1.9
93.46278	1.6
96.96001	2.3
97.02980	1.6
101.02430	4.0
137.02364	1.7
147.79994	1.7
163.11354	2.6
171.10223	3.3
181.12306	2.3
197.11946	2.1
209.11821	52.8
210.12102	3.5
211.13374	3.8
225.11288	3.7
227.12885	20.1
235.08224	3.1
245.19160	2.4
253.09248	5.1
263.20139	5.5
289.18005	7.1
291.19620	2.2
307.19174	25.2
308.19620	2.9
309.20813	2.7
327.21783	2.1
345.81549	1.5
440.59317	1.7
445.20810	8.1
543.28027	10.9
544.28430	1.6
560.26758	1.6
618.48596	1.7
639.58282	1.8
735.39166	2.9
753.40125	4.4
789.38214	14.2
790.38159	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	789.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98827	4.9
63.96224	1.8
69.03429	1.0
70.06894	1.4
70.07284	1.5
71.01377	8.9
72.99294	0.7
73.02925	1.9
78.95882	1.3
78.98582	6.6
79.95730	15.9
80.96510	86.6
81.03436	1.0
82.98798	0.7
85.02935	3.2
87.00848	3.5
94.98072	17.9
95.01415	0.6
96.95992	1.5
97.02927	1.9
98.19926	0.9
101.02413	2.5
106.98105	4.0
109.06545	1.1
122.97580	5.1
125.02424	3.0
127.03962	1.0
134.97565	7.0
136.99110	1.2
143.03542	0.7
148.99115	6.2
152.98570	6.1
152.99625	1.4
164.97318	1.0
164.98619	13.6
206.99672	2.8
207.10144	1.4
225.00729	20.9
281.24771	1.8
507.15271	2.7
563.28943	1.1
564.29651	0.9
580.85254	0.7
661.23004	0.7
691.37787	0.8
789.40900	100.0
790.41302	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09486	1.5
61.98808	2.9
70.44362	3.8
71.01368	12.4
76.45228	1.5
77.26824	1.4
78.95915	2.0
78.98570	9.1
79.95733	14.1
80.96514	83.3
85.02928	4.6
87.00876	2.4
94.98080	20.0
97.02927	1.9
100.31004	1.4
101.02444	3.0
106.98082	4.7
122.97565	2.5
125.02399	1.8
134.97546	5.4
148.99098	6.5
152.98602	6.4
164.98592	13.2
206.99561	2.9
225.00702	24.0
236.46939	1.7
284.27670	1.8
321.56259	1.6
378.09259	1.8
507.15189	2.8
745.84369	1.6
789.40973	100.0
790.41522	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97174	0.6
57.84579	0.7
61.69219	0.6
61.98827	100.0
63.96232	1.6
71.01382	6.2
71.66289	0.6
73.02966	1.3
73.50942	0.8
78.95898	1.0
78.98592	4.7
79.95729	10.8
80.96512	54.2
85.02946	1.8
87.00883	2.8
89.60030	0.7
94.98083	10.9
96.95992	1.0
101.02441	1.2
101.49890	0.7
106.98089	2.8
122.97565	3.5
125.02446	2.3
127.03916	0.9
134.97601	3.6
148.99153	4.6
152.98645	4.8
164.98615	7.5
166.29753	0.8
206.99716	2.4
209.11824	1.3
225.00710	12.4
260.31781	0.7
279.23169	1.2
283.05069	0.6
455.35321	1.5
456.35553	1.2
509.16562	1.2
789.40955	62.0
790.41089	13.7
812.15161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75160	1.1
57.03442	1.9
58.00587	1.7
59.01374	10.0
61.98817	3.8
68.99556	3.6
69.66428	0.9
71.01379	55.0
71.04971	0.9
72.01712	1.2
72.99315	1.9
73.02935	4.3
79.95732	2.3
80.02684	1.4
81.03453	2.4
82.95422	2.9
83.01371	2.3
83.05027	6.8
84.02138	1.6
85.02943	6.7
87.00864	3.5
89.02444	5.5
95.01343	1.3
95.05009	2.6
96.96004	63.5
97.02959	3.3
97.06575	3.0
98.95582	3.7
101.02428	7.4
109.06570	8.9
112.98553	3.0
113.02440	5.7
116.92816	5.5
119.03480	1.8
120.13579	1.1
122.62010	1.0
125.09692	3.9
127.11258	3.0
135.08142	1.5
137.09737	1.4
138.37532	1.1
143.03494	1.1
145.05011	2.6
146.81357	1.0
155.10748	2.1
161.04547	3.1
161.09720	1.3
163.11276	12.7
165.09151	1.2
165.12805	3.0
171.10260	58.9
172.10513	2.4
179.05621	1.5
181.12303	2.8
183.13853	2.3
185.11829	3.9
189.09109	1.5
197.11769	4.6
199.13295	1.2
201.11334	14.1
207.10237	25.7
209.11806	100.0
210.12111	5.6
211.13354	13.0
215.12862	2.5
221.11844	2.0
225.11301	38.4
226.11653	2.4
227.12865	10.3
229.14388	11.9
235.08217	11.8
243.12299	1.9
253.09290	29.5
291.19644	5.4
295.10049	2.1
307.18939	1.6
308.75430	1.0
309.20703	8.1
327.21725	85.6
328.22141	7.8
407.18869	1.3
455.70471	1.1
461.20038	9.1
462.20264	1.6
545.29523	1.6
563.30646	2.1
689.16724	1.3
771.41821	6.2
772.42114	2.5
777.18420	1.1
789.43060	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	790.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98524	0.2
63.31397	0.1
63.96235	0.1
69.76910	0.3
69.77333	0.4
71.01402	0.3
78.98598	0.2
79.95722	0.6
80.96510	2.9
82.95422	0.3
92.08548	0.1
94.98095	0.6
98.20649	0.1
101.02446	0.2
106.98087	0.1
118.14988	0.1
122.97648	0.2
125.02466	0.2
134.97588	0.3
148.99136	0.2
152.98616	0.2
154.72920	0.1
164.98650	0.4
206.99605	0.1
209.11871	0.2
210.12170	0.2
225.00653	0.7
281.24857	0.3
282.25305	0.2
400.54050	0.1
402.54776	0.1
791.42438	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	791.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98840	0.2
63.10094	0.2
64.92907	0.2
68.99583	0.2
69.05643	0.2
71.01386	0.6
71.59243	0.3
72.99291	0.2
73.02939	9.1
75.00872	0.7
85.02962	0.3
87.00883	0.3
96.96012	0.8
98.95600	0.2
99.00870	2.4
99.92576	9.5
100.92578	0.6
114.93409	0.4
116.03536	0.2
116.92852	100.0
116.97231	0.5
117.01928	16.8
117.92862	5.3
117.93726	0.2
118.02283	0.2
127.25039	0.2
201.82079	0.2
209.11827	1.9
227.12834	0.2
253.09222	0.2
327.21570	0.2
436.18863	0.2
545.89001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93684	1.5
59.01373	7.6
61.98837	8.6
71.01376	9.7
73.02939	4.5
73.61411	1.7
78.95905	2.5
82.95400	1.8
83.05032	3.1
85.02958	3.3
89.02451	5.9
95.01392	2.2
96.96002	7.3
99.00858	3.9
99.92565	5.4
101.02448	3.2
113.02451	4.3
116.92854	61.6
117.01914	3.6
117.92876	4.3
122.03477	1.8
152.57327	1.8
165.12903	2.2
171.10257	25.8
185.11864	2.6
209.11809	100.0
210.12129	8.3
211.13443	24.5
212.13635	2.0
227.12863	27.8
228.13109	2.2
229.28925	1.9
235.08167	5.4
251.16530	4.3
253.09386	10.0
291.19632	45.1
291.23004	2.1
292.20209	3.4
307.19171	2.2
309.20724	7.6
407.19174	3.1
445.20776	13.5
463.21396	2.6
527.28613	6.5
589.93854	2.3
719.40356	4.7
720.39252	1.9
737.41559	4.3
791.40271	49.7
792.40460	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01374	1.0
61.98824	0.9
63.96238	2.7
64.28135	0.3
64.32398	0.3
69.03456	1.0
70.61761	0.8
70.62132	0.7
71.01382	9.7
73.02945	2.2
78.95890	0.7
78.98595	7.3
79.95733	17.2
80.96513	93.0
81.03406	0.8
83.01376	0.4
84.95145	0.3
85.02938	3.2
87.00882	3.1
94.98084	21.0
95.01368	0.4
96.96029	1.9
97.02951	2.1
99.00862	0.5
99.04555	0.4
101.02422	2.5
105.44764	0.3
106.98088	4.3
122.97581	3.9
125.02445	3.6
127.04018	0.8
134.97578	6.5
136.99153	1.9
148.99138	7.1
152.98615	6.8
152.99721	0.6
164.98618	15.2
166.37256	0.4
179.00171	0.5
206.99666	3.5
209.11736	1.7
212.63519	0.4
225.00723	23.6
226.01083	0.5
243.01802	0.4
250.64380	0.4
281.24768	1.3
283.04895	0.6
314.81567	0.4
509.16754	2.2
563.28845	1.6
692.24689	0.4
692.38080	0.4
791.42474	100.0
792.42859	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39353	7.2
61.98822	15.2
68.98184	8.3
70.34782	27.8
89.02399	6.6
97.48255	6.9
103.04460	6.9
104.92298	9.2
131.53448	6.9
209.11792	100.0
210.12126	10.4
227.12740	12.1
228.05350	6.9
235.08014	8.1
277.21747	87.6
278.21994	8.5
372.58929	7.6
468.18784	7.2
492.02399	7.7
643.37378	8.7
791.42407	31.0
792.42377	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	793.368
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33694	0.1
71.01385	0.2
79.95719	2.2
95.95194	0.6
96.96003	65.8
97.95930	0.2
110.30375	0.1
226.38818	0.1
229.24149	0.2
291.12686	100.0
292.13022	7.7
292.16534	0.2
300.02719	0.1
327.48767	0.1
528.15411	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4374
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03442	1.0
58.00585	1.4
59.01374	25.6
61.98782	0.5
62.38878	0.4
68.99809	1.8
71.01375	24.8
72.99286	2.0
73.02940	1.6
75.00869	13.2
83.01390	2.6
85.02942	9.1
87.00866	2.2
89.02433	12.4
95.01391	4.6
96.96016	3.5
97.02936	0.6
99.00866	11.2
100.01192	0.5
101.02433	12.7
111.00900	0.5
113.02443	9.1
119.03519	1.7
129.01938	0.5
157.01378	1.0
161.04587	1.0
179.05482	0.5
197.11795	1.1
209.11841	3.7
227.12830	1.1
251.42297	0.5
253.09303	0.8
293.17865	0.5
309.20657	3.1
423.32510	0.8
453.33609	2.1
523.37701	1.2
793.43695	100.0
794.44098	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	793.438
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03430	1.2
58.00584	0.8
59.01375	20.1
61.98829	1.9
63.39039	0.4
64.97215	0.3
65.26917	0.3
68.99797	1.5
69.03436	0.3
71.01374	21.7
71.39363	0.5
71.39697	0.6
72.01701	0.4
72.99293	1.9
73.02948	1.6
75.00464	0.6
75.00864	8.9
75.27753	0.3
83.01379	2.5
84.09224	0.3
85.02943	8.6
87.00869	2.5
89.02428	9.9
95.01397	3.4
96.95988	1.8
97.02910	0.7
99.00867	12.3
101.01775	0.7
101.02431	9.3
109.02927	0.4
111.00870	0.6
111.22892	0.4
112.01643	0.4
113.02444	8.1
113.99771	0.4
115.00317	0.4
119.03461	2.1
125.02453	0.4
136.89171	0.4
137.02419	0.4
139.00334	0.8
157.01401	0.8
161.04492	0.6
164.90878	0.4
179.05586	0.7
209.11787	3.1
210.12236	0.5
211.13329	0.7
227.12823	1.2
239.76602	0.4
253.09212	1.1
291.19601	0.4
309.20563	1.7
310.20956	0.4
348.21460	0.8
406.96964	0.4
413.68661	0.4
453.33606	3.8
455.35114	3.4
456.35397	0.5
523.38135	1.6
537.35797	1.1
567.36560	0.4
569.38263	2.8
579.14447	0.3
587.39362	0.6
588.38452	0.4
613.37445	3.9
614.37927	0.7
731.43750	0.5
775.07166	0.4
793.43683	100.0
794.43988	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	793.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
58.00577	1.4
59.01376	27.6
61.98835	1.8
61.99116	0.3
65.75904	0.4
67.01879	0.6
68.77767	0.3
68.99821	1.9
69.03419	0.4
69.17773	0.3
71.01378	27.0
72.99301	2.9
73.02943	1.8
75.00868	13.3
76.66022	0.3
78.27370	0.3
83.01381	2.8
84.95085	0.6
85.02946	10.9
87.00868	2.9
88.98793	0.7
89.02441	13.3
95.01384	5.2
96.95996	1.5
97.02931	0.9
99.00877	13.7
101.02438	13.6
111.00858	1.0
112.01644	0.6
113.01711	0.6
113.02447	10.7
115.00396	0.6
116.92853	0.8
119.03494	2.4
139.00342	0.8
143.03461	0.6
151.11237	1.5
157.01424	1.4
161.04482	1.6
167.93758	0.3
181.83337	0.3
209.11797	0.5
245.03447	0.3
246.69496	0.4
421.30670	0.5
423.32700	3.7
424.32867	0.7
425.34180	1.7
453.33664	1.3
493.36740	1.5
523.37720	0.9
688.17285	0.4
763.42749	5.1
764.43365	1.4
772.19360	0.4
793.43707	100.0
794.44067	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	793.4373
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03436	1.4
58.00573	1.3
59.01376	25.4
61.98826	1.8
67.01888	0.5
68.99806	1.6
70.72070	0.7
70.72429	0.5
71.01378	26.0
72.01725	0.4
72.99302	3.1
73.02947	2.2
75.00867	12.2
78.95915	0.4
83.01369	3.2
85.02947	11.4
87.00871	3.0
88.98790	0.6
89.02443	12.3
89.03008	0.6
95.01376	4.6
96.96006	1.2
97.02937	0.5
99.00875	11.8
99.01525	0.7
101.02437	12.9
111.00849	0.8
112.01615	0.5
113.02456	9.5
115.00348	0.6
116.92853	2.5
117.92843	0.5
118.29540	0.3
119.03514	2.4
129.01930	0.4
131.03523	0.5
136.75606	0.3
137.02312	0.3
139.00267	0.4
157.01401	1.4
161.04555	1.1
209.11841	0.3
217.11420	0.4
241.56902	0.3
309.03540	0.4
337.07452	0.4
405.31546	0.9
453.33752	2.4
523.37744	1.8
595.36420	0.5
631.38031	0.4
793.43707	100.0
794.44061	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	793.441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	2.5
63.96222	1.8
66.68029	0.8
71.01378	8.9
72.91919	0.8
73.02947	2.4
78.98595	6.4
79.95736	16.0
80.96513	85.2
82.76399	0.8
82.96079	1.1
85.02940	3.5
87.00874	2.8
94.98079	17.5
96.96022	1.8
97.02938	1.9
98.20690	1.5
99.41657	0.7
101.02442	2.8
106.98069	2.8
115.19736	0.8
121.34734	0.8
122.97536	6.4
125.02434	2.8
127.03993	1.4
134.97552	5.8
136.99126	1.3
146.92525	0.8
148.99142	6.2
152.98610	8.5
164.98610	14.4
167.00182	0.9
206.99655	2.6
209.11734	1.6
225.00734	24.5
232.99503	0.8
283.05243	0.9
283.26331	1.8
349.31467	0.8
351.29083	1.0
509.17151	4.3
549.94971	0.8
565.31396	1.0
662.18988	1.0
793.44012	100.0
794.44281	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	793.4409
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03421	0.5
59.01368	0.9
61.98842	0.5
63.96248	2.5
69.03452	1.0
71.01376	8.6
72.99305	0.6
73.02940	1.7
76.80138	0.4
78.95907	1.2
78.98595	6.1
79.95728	16.8
80.96511	84.7
81.03474	0.8
81.96455	0.6
82.96072	0.4
83.01348	0.6
85.02933	3.1
85.70110	0.4
87.00871	2.8
92.33614	0.4
94.98077	19.9
96.96000	1.6
97.02950	1.7
99.00899	0.5
101.02421	2.9
106.98103	3.8
113.02499	0.4
122.97592	5.1
125.02449	3.8
127.04052	1.1
133.03879	0.5
134.97580	6.7
134.98534	0.8
136.99133	1.6
148.99124	8.1
149.00296	0.6
152.98589	6.6
161.04565	0.6
164.98608	14.0
171.10196	0.6
174.79874	0.4
179.00269	0.7
197.11760	0.4
206.99638	3.1
209.11798	1.8
225.00717	23.8
226.01071	0.9
255.23294	1.3
283.04803	0.7
283.26431	1.7
403.29523	0.5
435.62177	0.5
509.17160	2.6
531.33282	0.5
565.30133	1.4
793.43982	100.0
794.44324	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	795.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
62.95270	0.3
69.22341	2.3
71.01351	0.4
72.23643	0.2
73.26139	0.2
79.95698	0.3
85.02960	0.3
87.00912	0.3
96.96011	4.1
101.02447	0.2
109.02927	0.4
123.00905	0.3
123.04525	0.4
137.02451	0.6
149.02388	0.3
151.03983	0.4
161.02414	1.0
163.03957	0.8
169.01566	0.3
172.05203	0.2
182.05820	0.4
197.08142	0.4
242.99391	0.6
258.01718	0.4
270.98819	21.9
271.99188	1.5
283.99521	0.7
285.00345	0.6
286.01096	0.7
289.07666	0.4
289.11102	1.3
298.98309	50.4
299.98636	3.5
312.99866	1.6
314.00671	77.3
315.00980	5.9
325.07153	0.4
329.03009	100.0
330.03351	8.4
408.98669	63.0
409.99008	5.8
449.12372	0.5
467.13492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01378	2.0
61.98829	0.5
65.15604	0.4
69.03445	0.8
69.70428	1.6
71.01387	1.4
73.02940	0.4
79.95724	0.9
81.03467	0.9
83.01379	6.1
85.02943	1.2
87.00858	0.6
89.02443	0.7
93.03464	3.8
95.01377	1.2
95.05035	1.9
96.96000	7.2
97.02968	3.2
105.03430	1.5
107.05016	0.5
108.02160	7.4
109.02950	25.8
110.03294	1.0
111.00885	0.5
113.02463	0.8
117.03468	1.5
119.05031	2.0
121.02963	7.1
122.03740	2.2
123.00908	2.2
123.04519	20.0
124.01656	1.3
124.04832	0.9
125.02442	7.1
131.05052	0.7
133.02939	5.3
135.00800	0.4
135.04533	4.5
136.04956	0.5
137.02458	4.5
137.05992	0.5
138.03181	0.5
139.03998	3.7
142.26785	0.4
145.02933	3.3
146.03754	2.3
147.04526	1.9
148.01640	1.2
148.05276	5.1
149.02435	16.3
149.06081	4.4
150.03159	1.6
151.04002	9.4
154.02654	0.6
158.03676	0.8
159.04507	3.9
160.05261	1.9
161.02435	46.1
161.06065	5.6
162.03154	4.9
162.06770	0.7
163.00304	1.5
163.03998	32.3
163.07602	3.9
164.01123	1.4
164.04390	1.0
165.01942	2.5
165.05536	0.9
166.06349	1.5
167.07188	0.5
171.04466	0.7
172.05283	3.2
173.02484	0.8
173.06093	2.0
174.03177	3.0
175.03992	6.6
175.07652	1.4
177.01932	0.6
177.05518	3.1
179.03432	2.3
181.05008	0.7
181.08630	1.1
184.05322	0.4
185.02370	0.5
185.06030	1.7
186.03079	0.6
186.06812	1.2
187.04041	3.7
187.07678	2.8
188.01115	2.0
188.04782	2.6
189.01938	4.5
189.05544	2.1
190.02638	1.3
191.03453	1.4
197.06116	0.6
198.06972	0.5
199.04044	0.8
199.07607	1.2
200.04785	1.1
201.01888	1.2
201.05522	3.0
202.02704	4.3
202.06319	1.5
203.03484	7.5
203.07120	4.7
204.04083	1.4
204.07649	0.5
205.05037	10.9
206.05380	0.8
207.02963	0.6
211.07640	0.4
213.05518	1.2
214.06190	0.8
215.03496	0.7
215.07008	0.7
216.04269	2.1
217.04715	0.5
217.08627	1.2
219.02951	1.0
219.06744	0.5
219.10194	0.6
224.04771	0.6
225.05539	1.1
227.03532	0.9
227.07074	1.6
228.04198	1.1
228.07831	1.6
229.05003	2.8
229.08658	1.7
229.81660	0.5
230.05634	0.7
231.03055	2.0
231.06641	2.1
237.05530	0.7
239.07207	0.7
241.04967	1.4
241.08510	0.7
242.05716	0.8
243.06586	1.3
243.10313	0.8
244.03610	0.6
244.07361	0.6
245.08144	2.4
247.06114	5.5
253.04997	0.7
254.05878	1.2
255.06528	0.9
256.07422	0.8
257.04483	1.1
257.08215	0.5
266.05841	0.6
267.06555	0.9
268.03610	0.5
269.04565	0.9
269.08139	0.5
270.05313	4.1
271.06012	2.2
272.06781	0.9
273.03989	1.2
273.07712	1.4
282.05402	1.1
283.02701	0.5
283.06082	2.2
283.08994	0.6
284.06805	0.8
285.07672	8.0
286.07870	0.9
287.09232	6.2
289.07156	10.9
291.12717	1.5
297.07629	2.0
299.09216	1.0
303.08682	1.5
307.06091	1.5
310.04831	1.6
311.05609	1.3
312.06305	0.9
313.07178	8.2
314.07724	1.2
315.08661	1.9
324.06439	1.2
325.07159	14.2
326.07803	3.3
327.08716	3.7
327.14505	1.1
331.08044	0.5
339.08820	3.0
343.08060	3.0
351.12491	1.3
357.09811	3.2
393.13477	1.8
437.12393	30.3
438.12680	4.3
449.12360	45.2
450.12701	6.1
467.13422	100.0
468.13788	15.0
468.20541	0.8
643.15491	0.5
683.25476	0.5
795.28717	3.6
796.28223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
57.21204	0.4
59.01374	1.5
69.03464	0.5
69.98579	1.9
71.01385	0.9
75.00893	0.5
79.95692	0.5
81.03433	0.9
83.01379	6.0
85.02950	1.0
91.05560	0.5
93.03453	4.6
95.01385	1.3
95.04988	2.1
96.95999	4.3
97.02953	3.1
98.20515	0.8
101.02453	0.7
105.03472	1.4
107.05027	0.7
108.02180	8.6
109.02948	28.1
110.03277	1.0
117.03455	2.7
119.05030	2.0
121.02943	8.8
122.03748	3.4
123.00893	1.7
123.04520	22.7
124.01646	0.7
124.04824	0.7
125.02445	6.0
131.05052	0.4
133.02948	7.4
134.03592	0.6
135.04518	6.4
137.02449	4.5
138.03198	0.8
139.04004	4.7
145.02975	3.7
146.03716	1.8
147.04486	1.4
148.01639	1.9
148.05296	3.9
149.02432	21.1
149.06068	4.4
150.03197	1.9
151.03999	12.2
157.06607	0.6
159.04506	4.1
160.01630	0.6
160.05266	2.3
161.02434	68.8
161.06052	5.3
162.03119	4.9
163.03996	50.6
163.07658	2.6
164.01169	1.1
164.04408	2.1
165.01903	3.3
165.05568	0.6
166.06325	2.9
167.03473	0.5
167.07059	0.4
171.04486	0.7
172.05208	2.4
173.02373	1.0
173.06059	1.8
174.03212	3.2
175.03993	9.4
175.07611	1.1
176.01199	0.5
177.01926	1.1
177.05540	3.0
179.03529	3.1
181.05080	0.5
181.08693	1.5
184.05316	0.6
185.06047	1.0
186.03130	0.6
186.06767	0.8
187.03998	2.9
187.07587	2.8
188.01125	2.5
188.04727	2.4
189.01920	8.0
189.05542	1.4
190.02632	1.1
191.03471	1.5
193.05052	0.4
199.07704	1.2
200.04723	0.6
201.01945	1.8
201.05443	2.4
202.02707	6.6
202.06331	1.2
203.03496	10.0
203.07083	4.7
204.04134	1.0
205.05035	10.3
206.05377	0.7
207.02982	0.8
211.07611	0.4
212.04747	0.6
213.05534	1.4
215.03319	0.6
215.07053	0.9
216.04251	1.7
217.04997	0.7
217.08603	1.0
219.02901	1.7
219.06606	0.6
225.05649	0.7
226.06340	1.0
227.03531	0.9
227.07149	2.0
228.04221	0.6
228.07829	1.3
229.05006	1.8
229.08627	1.8
230.05748	0.6
231.02950	1.5
231.06566	1.4
239.07030	1.0
241.05074	1.0
242.05928	0.6
243.06624	0.7
243.10197	0.7
245.08159	2.8
247.06075	4.2
253.05042	0.9
254.05771	0.7
255.06573	0.8
256.07388	0.4
257.04514	1.4
257.08188	0.5
258.05212	0.5
259.06223	0.5
265.05057	0.6
267.03024	0.6
267.06558	0.8
268.03793	0.9
268.07178	0.7
269.04596	1.6
269.08179	1.3
270.05289	4.0
271.06104	2.3
272.06912	1.2
273.04205	0.8
273.07645	1.7
279.06863	0.4
281.04626	0.6
282.05484	0.9
283.06009	2.2
284.06802	1.0
285.07645	8.2
286.08237	0.9
287.09238	4.4
288.09656	0.7
289.07178	11.0
290.07425	0.8
297.07663	1.6
298.08154	0.5
299.05746	0.8
299.09207	0.9
303.08777	1.8
307.06158	1.7
310.04858	1.4
311.05560	1.1
313.07153	14.1
314.07513	1.6
315.08585	2.6
324.06430	1.1
325.07141	22.7
326.07587	3.6
327.08676	3.4
327.14441	1.2
331.08279	0.8
339.08701	4.0
343.08176	4.9
344.08356	0.4
351.12305	0.9
357.09808	4.2
393.13565	1.1
423.15125	0.4
437.12372	24.7
438.12628	3.0
449.12369	34.2
450.12634	4.4
467.13425	100.0
468.13742	14.0
795.28436	5.0
796.28760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01369	1.9
61.98830	0.6
69.03448	0.8
69.71474	1.0
69.71883	2.7
71.01373	1.1
73.02950	1.3
79.95742	1.5
81.03440	0.7
83.01385	8.5
85.02950	1.8
87.00922	0.8
93.03433	3.3
95.01375	1.1
95.05035	1.9
96.95988	3.7
97.02954	4.4
99.92578	2.7
101.02440	0.7
108.02184	5.9
109.02945	23.9
110.03294	1.3
113.02457	0.7
116.92850	33.3
117.01963	1.2
117.03455	1.2
117.92886	0.8
121.02935	6.4
122.03726	2.1
123.00876	2.3
123.03614	1.0
123.04517	20.0
124.01636	1.1
124.04844	0.9
125.02431	8.9
131.04964	0.7
132.02202	0.8
133.02959	3.7
135.04507	3.8
137.02444	4.2
138.03232	0.8
139.04016	3.8
143.04947	0.6
145.02959	3.1
146.03722	2.7
147.04478	1.7
148.05305	4.9
149.02425	13.1
149.06068	6.8
150.03256	1.3
151.03984	8.3
157.06645	0.6
159.04471	4.3
160.05301	3.5
161.02431	25.2
161.04662	1.0
161.06033	6.6
162.03191	3.5
163.00360	1.2
163.03992	19.8
163.07591	3.6
164.01088	1.0
164.04407	1.4
165.01923	2.8
165.05537	0.7
166.06337	1.3
169.01506	0.8
172.05316	3.9
173.02455	0.7
173.06024	1.9
174.03210	3.0
175.03973	5.9
175.07587	1.6
177.01892	0.9
177.05602	2.9
179.03465	2.2
181.04984	1.2
181.08702	1.0
182.95897	0.6
184.05173	0.8
185.06021	1.8
186.06824	0.8
187.04010	4.3
187.07605	4.5
188.01157	0.9
188.04720	2.6
189.01907	2.9
189.05583	2.3
190.02618	0.7
191.03479	1.8
197.05974	0.7
199.07632	1.6
200.04761	1.0
201.01924	1.3
201.05495	2.8
202.02679	2.7
202.06340	1.9
203.03552	4.9
203.07117	3.7
204.04137	1.0
205.05026	12.2
206.05408	0.8
213.05510	1.5
214.06300	1.2
215.07114	0.9
216.04283	2.0
217.08662	1.3
219.06630	0.7
219.10098	0.7
225.05647	1.3
226.06276	1.2
227.03531	1.1
227.07153	2.3
228.04294	1.1
228.07822	1.1
229.05038	3.0
229.08682	2.2
230.05757	0.8
231.02925	2.2
231.06641	2.1
239.07204	0.7
241.04935	1.1
241.08681	1.1
243.06601	1.1
243.10243	1.2
245.04646	0.8
245.08156	3.9
247.06036	5.5
248.06462	0.9
253.05046	1.4
254.05844	0.7
255.06670	1.4
257.04611	1.1
266.18219	0.6
267.06653	0.7
268.03876	0.7
269.04620	1.1
269.08096	0.8
270.05408	4.8
271.06143	2.5
272.06808	1.4
273.04175	1.3
273.07623	1.8
282.05365	1.1
283.05978	1.7
284.06879	1.0
285.07632	9.4
287.09167	7.9
289.07138	10.2
297.07684	2.7
299.09143	1.3
303.08728	1.2
310.04938	2.0
311.05682	1.3
312.06305	1.0
313.07068	4.2
314.07864	0.8
315.08685	3.1
324.06378	1.3
325.07202	7.4
326.07874	4.2
327.08578	3.3
331.08508	0.9
337.11124	0.7
339.08484	3.1
343.08246	1.4
351.12332	1.4
357.09750	2.5
378.11200	0.7
393.13446	1.9
421.44559	0.7
437.12363	40.8
438.12711	5.3
449.12350	51.2
450.12753	8.2
455.57410	0.8
467.13428	100.0
468.13733	14.4
795.28607	2.8
796.29852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
60.99304	17.5
61.98814	0.6
62.04309	0.2
70.45603	0.2
70.45944	0.8
71.01376	1.7
73.02935	0.3
74.37770	0.2
85.02936	0.4
85.46543	0.3
87.00880	1.2
88.00383	1.3
88.98801	100.0
89.02434	6.0
89.02993	0.3
89.99138	0.9
96.95990	1.1
101.02419	0.3
113.02416	0.3
116.92881	0.3
119.03437	0.2
125.02508	0.3
137.02417	0.3
165.01904	0.3
170.43488	0.2
171.10272	0.7
207.10301	0.3
209.11792	2.9
210.12238	0.5
225.11325	0.3
227.12820	0.4
289.07358	0.3
335.17575	0.2
397.13181	0.2
428.60779	0.2
661.21747	0.3
795.43872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01376	15.7
61.98816	2.2
68.99802	1.5
71.01378	36.0
71.15147	0.8
71.58142	1.3
72.99288	2.0
73.02941	6.7
75.00874	1.5
83.01382	4.2
83.04971	1.0
85.02946	12.4
87.00865	2.2
88.98816	0.8
89.02442	12.3
95.01374	2.4
96.95992	4.9
97.02946	1.0
98.95563	1.0
99.00863	5.4
101.01791	1.2
101.02438	18.8
111.00836	2.7
111.79681	0.8
113.02445	15.4
119.03507	4.6
125.02432	2.4
129.01921	1.6
131.03471	2.7
143.03508	1.2
150.98227	0.8
157.99454	0.8
159.02933	3.1
161.04547	7.9
179.05556	1.5
197.11864	1.2
209.11806	3.3
210.12152	1.5
214.45737	0.9
219.13889	3.1
221.06589	3.6
221.15469	23.3
222.15775	1.4
231.13821	1.5
249.14853	3.4
276.94147	0.9
411.19934	1.0
515.24323	1.2
532.24164	0.9
573.25439	2.1
795.41901	100.0
796.42078	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	795.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.00594	1.3
59.01377	28.0
61.98826	2.8
68.99805	2.1
69.21853	0.5
70.73221	1.2
71.01378	27.8
72.99300	3.0
73.02936	2.3
75.00864	13.2
79.95739	1.7
80.96538	0.5
83.01389	2.7
85.02945	10.9
87.00869	2.5
89.02441	12.9
93.03455	0.7
95.01408	3.8
96.95369	1.1
96.96001	22.5
97.02930	1.3
99.00872	13.0
100.01209	0.6
101.02439	14.1
108.02158	0.9
109.02918	1.1
111.00841	1.1
113.02448	10.0
113.19939	0.6
119.03483	2.6
121.02937	1.0
123.00854	0.7
123.04541	0.8
125.02440	1.6
129.01901	0.9
133.54996	0.5
137.02441	1.6
139.00360	0.6
149.02444	1.0
150.03165	1.0
151.03996	1.1
157.01395	1.0
157.20480	0.5
161.02345	0.7
161.04500	1.0
164.69604	0.6
165.01892	1.2
165.05537	0.7
169.01418	1.5
179.05638	0.6
195.06589	0.9
201.11308	0.8
211.02417	0.7
271.04446	0.9
299.99115	1.6
315.01498	1.3
336.43726	0.6
407.29333	1.1
409.31161	1.6
437.30600	2.1
455.31775	1.6
525.35846	1.4
560.98621	0.6
615.35870	1.1
643.23547	1.1
795.41687	100.0
796.28351	1.2
796.42065	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	795.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.00591	1.3
59.01376	30.8
60.01725	0.3
67.01891	0.4
68.99818	2.1
69.03456	0.4
70.73943	0.4
71.01378	27.5
72.01717	0.5
72.99307	1.9
73.02943	1.9
75.00868	14.4
82.68561	0.2
83.01378	3.4
85.02945	11.1
86.00096	0.4
86.03326	0.2
87.00875	2.6
89.02438	13.6
94.99313	0.2
95.01382	5.4
97.02966	0.5
99.00874	12.6
100.01243	0.2
101.02440	15.0
104.73344	0.2
111.00903	0.5
112.01668	0.4
113.02441	10.1
115.00370	0.5
119.03490	2.7
125.02433	0.2
129.01961	0.5
129.58080	0.2
131.03491	0.5
139.00385	0.7
143.03542	0.4
148.27664	0.2
157.01431	1.4
161.04524	1.1
173.15408	0.2
179.05606	0.3
181.83047	0.2
196.18472	0.2
201.15070	0.2
251.13759	0.2
391.30078	0.4
407.33228	0.7
437.34015	1.0
455.35260	1.9
456.35400	0.4
524.98035	0.2
525.39648	1.8
526.39502	0.4
597.38293	0.3
615.39185	0.5
795.45245	100.0
796.45593	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
63.02401	1.3
65.00323	0.9
79.95748	1.8
83.01395	0.9
85.02950	0.5
91.01881	0.7
93.03469	2.0
95.01387	0.4
95.13544	0.4
96.96007	8.5
97.02934	0.5
99.43819	0.4
100.06090	0.4
107.01367	2.9
109.02959	0.8
117.03499	0.6
121.02924	0.5
135.00867	1.5
137.02435	0.4
143.05043	1.1
151.00391	3.1
154.04213	0.7
157.06538	0.6
159.04527	1.6
161.02490	0.9
163.00374	3.2
165.01898	0.8
167.05042	0.6
169.01431	0.5
169.06633	0.7
171.04504	0.9
172.05144	0.6
173.06105	0.6
174.03168	0.8
183.04559	0.9
185.06041	2.5
187.03979	3.8
189.05553	1.1
190.23476	0.5
197.06050	1.2
198.03069	0.5
199.04002	1.5
211.03970	2.8
212.04764	0.6
213.05550	3.5
214.02634	0.5
215.03551	0.5
223.03961	0.6
227.03470	27.9
228.03842	2.1
229.05032	15.3
229.07220	1.0
230.05305	1.0
239.03525	2.4
240.04257	1.4
241.05028	2.1
255.02957	36.4
256.03531	5.8
257.04520	9.8
258.04926	0.6
267.02924	1.3
269.08136	1.5
283.99893	0.7
284.03229	35.1
285.04007	100.0
286.04391	8.2
291.12741	0.5
299.05771	0.7
299.09161	1.1
311.09195	1.5
314.11584	1.2
326.11398	1.0
327.04855	0.7
329.13892	5.4
341.13849	1.8
409.09775	0.5
439.10626	11.7
467.13086	0.5
755.20294	1.9
797.21356	46.2
798.21729	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	797.214
Annotation	Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
58.67238	0.6
59.01384	1.8
62.18290	0.6
65.00352	1.1
69.57362	5.3
71.33633	0.7
79.95731	12.5
79.96186	0.8
82.91309	0.7
83.01382	1.5
85.02934	0.6
89.02476	1.3
93.03467	2.0
96.96027	1.9
99.00921	0.7
107.01406	3.2
109.02959	1.7
117.03506	1.1
125.02443	0.8
127.91566	0.6
135.00888	1.7
137.02542	1.1
143.05005	1.6
145.68463	0.6
146.81525	0.7
151.00330	4.3
157.06561	0.8
158.03787	0.8
159.04506	0.9
163.00340	2.7
169.06654	0.8
182.19188	0.6
183.04475	0.8
185.06091	2.8
187.04010	2.9
189.05492	0.9
195.04401	0.8
196.08141	0.7
196.47769	8.3
198.44455	0.6
199.03944	1.3
201.05614	0.8
203.98952	7.6
204.49117	1.8
211.04048	3.4
213.05602	2.7
214.49925	0.7
227.03482	28.2
228.03833	1.7
229.05045	12.2
230.05435	0.9
239.03529	1.9
240.04367	1.0
241.05028	1.9
243.96799	13.7
244.46864	2.1
244.96654	1.4
255.02963	47.7
256.03552	6.7
257.04547	7.4
267.02921	1.1
271.02496	2.6
284.03232	43.9
285.04007	100.0
286.04355	7.5
297.97589	1.3
300.02844	3.8
301.03363	1.6
312.99933	3.6
327.04727	1.0
328.02347	2.1
329.02768	1.2
408.98682	1.6
755.20398	1.9
797.21289	42.8
798.21625	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.1
71.01384	0.1
79.95288	0.3
79.95712	1.9
83.90462	0.1
95.95206	0.5
96.96006	64.2
97.95940	0.2
98.95618	0.3
123.98346	0.1
265.24304	0.1
291.12692	100.0
292.13022	7.0
293.12726	0.4
439.10654	0.1
492.57550	0.1
574.25891	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.7
59.62384	1.3
61.98823	18.9
71.01353	6.4
73.02934	1.3
77.35351	1.3
80.02680	1.8
80.82278	1.1
81.03440	3.6
83.05006	3.3
85.02932	2.1
89.02422	4.4
96.95991	3.2
97.02938	4.6
99.00856	1.9
101.02460	8.2
109.05884	2.4
109.06579	33.3
110.06923	2.3
113.02438	3.1
116.42683	1.2
120.34852	1.2
121.06519	2.2
121.83312	1.2
123.04518	2.1
135.08128	2.4
136.05249	2.0
142.02707	2.1
161.04587	2.2
161.09773	1.8
163.11273	21.0
163.34201	1.3
171.10249	3.5
181.12294	4.8
189.09190	4.5
195.13853	5.8
195.16916	1.2
207.10243	100.0
208.10567	5.0
209.11807	11.0
210.12271	1.4
223.13293	4.2
225.09189	2.5
225.11310	33.4
226.11595	1.9
227.12772	1.8
235.08173	5.3
253.09233	17.7
275.20074	7.5
291.19669	5.6
293.21210	76.6
294.21655	5.9
443.19421	6.5
461.20197	11.3
719.39850	3.8
737.41125	38.8
738.41754	6.5
787.77283	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	799.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
61.98830	0.8
67.01922	0.6
67.31152	0.4
68.99821	0.5
69.03464	0.8
71.01380	2.4
71.58751	0.6
71.59138	0.5
72.99304	0.4
73.03021	0.4
73.15368	0.5
73.27094	0.5
79.01897	0.8
79.95735	4.5
80.96555	0.4
81.03441	0.6
82.81844	0.4
83.01369	3.0
83.98411	0.4
85.02949	0.7
87.00906	0.7
88.98820	0.8
89.02474	1.1
93.03458	0.8
95.01413	1.7
95.05039	1.3
96.96011	8.7
97.02940	2.6
99.00864	0.4
101.02489	1.3
103.38511	0.4
107.01386	3.7
108.02182	1.5
109.02954	7.9
111.00890	2.6
113.02419	0.7
119.05011	0.5
121.02949	2.5
122.03738	1.5
123.00877	3.5
123.04535	5.8
124.01607	2.2
125.02446	23.5
126.02814	0.6
127.00381	1.4
133.02942	0.8
135.04527	1.2
136.98834	2.1
137.02435	3.9
139.00351	2.3
139.03969	2.5
140.01161	3.1
145.02901	0.8
146.03741	0.9
147.04474	1.0
148.01646	0.7
148.05327	1.5
149.02448	4.4
149.06052	1.4
150.03242	2.2
151.00351	1.8
151.03992	4.0
153.01982	0.7
153.05693	0.5
153.89912	0.4
159.04486	1.3
160.05362	0.9
161.02443	4.1
161.06126	2.9
162.03139	1.1
163.03972	3.0
163.07654	1.0
164.01135	0.6
165.01900	1.7
165.05583	2.9
166.02721	0.5
167.03539	2.3
168.00639	13.6
169.01418	36.1
170.01784	1.2
172.05347	1.1
173.06026	0.7
174.03282	1.1
175.04024	1.8
177.05606	0.9
179.03499	1.4
179.07091	0.6
181.05042	0.8
183.03027	0.7
187.03954	0.8
187.07607	1.2
188.04807	0.6
189.01927	0.6
189.05505	0.7
191.03510	0.8
193.01451	0.5
200.04741	0.6
201.02113	0.5
201.05594	1.0
202.02687	0.7
203.03511	1.1
203.07103	1.6
205.05040	4.2
211.02470	60.4
212.02843	3.9
212.04616	0.8
219.02956	0.5
227.03435	0.5
227.07161	0.6
229.05019	0.8
231.02982	1.0
231.06561	0.6
245.08142	1.5
247.06122	2.1
257.04474	0.6
270.05328	1.3
271.04565	100.0
272.04877	5.4
275.01764	0.5
282.05051	0.7
283.06174	0.5
285.07773	2.5
287.09171	1.2
289.07083	5.0
300.99805	1.1
305.10629	8.0
310.04785	1.0
313.05536	0.9
315.08713	1.8
325.07172	0.7
326.07895	0.5
327.08636	0.7
331.06686	27.4
332.06845	1.3
361.16547	1.0
407.99652	0.5
437.12354	3.0
438.12433	0.5
449.12228	3.1
450.12909	0.5
466.99777	0.4
467.13428	6.1
468.13724	0.7
476.07596	0.5
479.12000	5.4
480.12543	0.8
509.12827	1.6
509.20462	0.5
593.14795	0.6
647.16364	7.2
648.16595	1.0
755.21637	1.2
799.20929	27.8
800.21362	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	799.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
59.54415	0.6
61.98828	5.4
71.01373	2.4
72.88763	0.5
73.02927	0.7
80.02658	1.2
81.03473	1.4
83.01418	0.8
83.05029	4.0
84.02139	0.8
85.02959	1.1
88.06927	0.6
89.02441	2.0
96.95995	1.4
98.19826	0.8
101.02448	2.4
113.02425	0.9
125.06105	0.6
135.08087	0.8
161.04572	1.1
163.11281	3.1
165.12839	2.3
171.10278	1.1
181.12267	0.8
191.10825	1.1
195.13869	2.5
209.11813	100.0
210.12149	7.7
211.13365	1.6
223.13377	1.8
227.12868	10.1
229.15051	0.6
235.08209	3.5
253.09296	11.0
275.20139	4.5
291.19833	0.9
293.21213	38.6
294.21530	2.9
445.20798	4.2
716.72986	0.6
719.58997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	14.8
61.20852	1.9
61.98816	4.1
71.01380	83.6
71.59074	2.5
71.59396	2.1
73.02935	4.0
75.00869	41.3
78.95904	5.6
80.96543	8.8
81.03446	3.8
83.05019	3.7
85.02941	5.1
87.22177	2.1
89.02447	5.2
94.98028	2.3
96.96960	1.9
97.02939	6.7
99.00875	4.1
101.02436	9.4
109.06590	40.7
113.02402	5.7
113.18253	2.3
116.81865	1.7
121.06539	2.1
125.09689	3.7
125.59769	1.7
127.11240	2.3
128.93022	1.8
129.70753	1.9
132.38501	2.1
135.08151	3.8
137.45117	1.8
142.02629	1.8
161.04475	3.6
161.09708	3.2
163.11249	21.2
164.69543	1.8
171.10271	31.4
172.10725	2.4
179.10687	2.6
181.12331	5.7
189.09219	2.5
199.09749	4.0
201.11320	25.5
207.10260	98.8
208.10609	5.4
209.11778	9.7
225.11307	50.7
226.11610	5.5
227.12782	2.4
235.08340	4.5
241.01263	3.0
243.12384	5.0
253.09274	15.6
255.23300	3.3
277.21707	100.0
278.22070	7.1
283.54407	2.0
423.06827	1.8
443.19119	2.7
461.20154	18.0
666.45837	2.4
721.41644	18.1
722.30414	2.2
722.42285	6.1
799.42126	17.3
800.41919	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.4
59.01379	20.4
61.98825	1.3
63.96235	1.2
70.08647	0.8
71.01385	9.8
71.15778	2.0
73.02948	2.0
75.00875	1.8
78.95915	1.3
78.98587	5.2
79.95740	9.7
80.96515	52.9
85.02944	3.0
87.00884	1.9
89.02439	1.9
94.98087	12.8
96.96016	2.3
97.02906	1.1
101.02456	4.5
101.46365	0.8
106.98051	1.9
112.07111	0.8
113.02414	1.3
122.97582	1.5
125.02431	2.6
134.97594	3.5
135.26105	1.0
148.99110	5.2
152.98599	3.9
153.54805	0.8
161.04533	1.4
164.98618	8.6
183.13908	5.6
193.12427	0.8
206.99655	1.8
211.13377	98.1
212.13768	5.1
225.00735	16.2
235.08243	3.5
253.09303	10.1
255.23323	1.5
271.73895	1.0
277.21704	100.0
278.22000	10.7
393.20938	0.9
400.53775	0.8
429.21078	3.3
447.22360	5.7
453.14371	1.0
513.30273	2.7
554.59741	1.0
689.04871	1.0
707.43506	1.8
709.38348	33.3
710.38483	7.5
781.40350	7.7
782.41095	1.0
799.41528	25.1
800.41748	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	800.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.84803	0.1
61.98827	100.0
71.01395	0.4
71.58358	0.2
79.22152	0.2
79.95742	0.9
80.96497	0.4
85.02932	0.4
85.90301	0.2
89.02409	0.2
96.96001	3.3
99.00903	0.2
101.02454	0.3
113.02461	0.2
125.02449	0.2
191.14406	0.2
225.00795	0.2
283.34933	0.2
293.46338	0.2
436.20947	0.2
559.27570	0.5
560.27979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77387	0.2
59.01380	0.5
61.07897	0.1
61.90518	0.2
61.98825	100.0
67.42838	0.2
71.01408	0.3
78.95932	0.2
81.44985	0.2
83.05020	0.3
96.96040	0.2
99.70203	0.2
101.02442	0.2
124.91853	0.2
128.64743	0.2
151.04034	0.2
197.11845	0.7
209.11804	2.7
210.12167	0.9
211.13370	2.6
211.15179	0.2
212.13803	0.8
227.12869	0.2
229.97296	0.2
235.08371	0.2
253.09364	0.4
254.09708	0.2
275.20294	0.2
291.19714	0.3
293.21259	1.3
294.21420	0.9
309.20795	0.7
310.21140	0.5
364.43451	0.2
408.64374	0.2
447.22885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
61.98827	100.0
62.98528	0.2
64.17366	0.1
70.30284	0.3
71.01384	0.2
80.96535	0.2
92.43571	0.1
96.95977	0.2
99.48527	0.1
101.02465	0.1
122.44517	0.1
125.02462	0.1
163.31555	0.1
208.25281	0.1
209.11874	0.4
210.12303	0.1
211.13365	0.2
291.19580	0.2
293.20682	0.1
300.99960	0.1
422.88513	0.1
445.44992	0.1
540.11359	0.1
636.82922	0.1
718.02020	0.1
801.37152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.56826	0.1
71.01379	0.4
71.06092	0.2
71.06435	0.2
78.55170	0.1
80.96508	0.2
96.96021	0.3
97.02975	0.1
100.48259	0.1
123.06696	0.1
125.02427	0.1
125.86601	0.1
146.32214	0.1
207.10187	0.2
209.11790	0.7
210.12190	0.4
211.13394	0.2
225.11560	0.2
227.13033	0.2
253.09503	0.2
291.19595	0.2
293.21161	0.4
359.54306	0.1
801.37494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
61.47963	0.3
62.38737	0.2
64.44613	0.3
65.09887	0.2
71.01375	4.4
71.61495	0.3
73.02938	0.4
79.95715	0.4
83.01383	0.4
85.02956	1.5
87.00854	0.5
88.67978	0.2
89.02430	2.3
92.02668	0.5
93.03453	21.9
94.03766	0.7
95.01376	1.3
96.96007	3.4
99.00898	0.3
101.02431	1.9
107.05032	1.7
108.02177	1.2
109.02939	0.6
109.66140	0.3
113.02452	2.2
113.82941	0.3
119.03533	0.7
121.02922	0.7
123.00872	1.1
123.04577	0.7
123.08132	0.3
125.02437	0.7
133.02925	0.4
133.05081	0.3
135.04510	1.1
136.01657	12.3
137.02437	58.3
138.02654	1.5
139.00374	0.3
139.03946	0.4
143.03532	0.2
149.02454	2.0
150.03191	0.4
151.04002	5.8
161.02454	0.5
161.04456	0.5
163.03993	0.6
165.01849	0.4
165.05574	0.5
168.04497	0.3
169.01408	0.5
179.03482	47.8
180.03847	2.2
181.05048	0.4
193.05081	0.4
195.06586	0.3
209.04527	6.7
211.02356	0.6
229.01385	0.3
236.41898	0.3
239.05589	29.4
240.05956	1.6
271.04520	0.4
272.04926	0.3
275.01944	0.9
281.13831	1.7
295.10284	3.9
299.07739	1.8
300.99817	1.2
301.09326	1.3
307.12225	3.8
308.12378	0.4
309.12363	0.3
312.77396	0.3
399.12769	0.3
415.12408	100.0
416.12762	10.8
416.18527	0.4
519.24286	1.3
655.20996	0.3
710.64905	0.3
732.84277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98828	1.4
68.99564	0.2
71.01385	0.3
71.59710	0.2
77.31268	0.2
78.95901	0.4
79.95728	3.5
82.95452	0.2
83.67212	0.2
89.02444	0.2
96.96006	100.0
97.17659	0.2
97.26991	0.2
97.95939	0.3
99.00875	0.2
101.02423	0.4
113.02481	0.4
125.02383	0.2
149.40317	0.2
163.07573	0.2
178.90179	0.2
183.47147	0.2
209.11876	0.9
211.13477	0.8
213.63850	0.2
232.60002	0.2
249.63428	0.2
271.02258	0.2
274.26068	0.2
300.02829	0.2
301.14532	0.2
315.41833	0.2
397.13159	0.2
534.67578	0.2
801.46912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.0
59.01373	24.2
59.21736	1.6
61.98589	1.6
61.98835	20.2
64.09909	1.9
71.01375	23.8
72.99319	2.8
73.02946	4.6
78.91847	2.0
83.01376	4.3
85.02956	11.1
87.00864	3.9
89.02462	11.2
96.96008	20.3
97.02938	2.1
98.19859	6.2
99.00861	3.1
101.02436	20.5
107.69240	1.7
113.02445	13.8
119.03478	3.2
125.02434	3.9
135.61465	2.2
141.01674	3.3
151.71544	1.6
161.04526	3.8
163.07652	2.2
209.11787	8.1
211.13348	4.8
230.48785	2.9
477.35846	2.3
717.69952	2.1
765.44269	84.7
766.44556	19.0
801.41852	100.0
802.42194	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.98826	100.0
62.98529	0.1
69.26594	0.6
71.01398	0.1
73.81154	0.1
78.95932	0.1
80.96531	0.2
92.33147	0.1
96.95984	0.1
98.20706	0.1
112.80383	0.1
155.24380	0.1
172.39427	0.1
176.54565	0.1
209.11890	0.3
210.12207	0.1
235.08336	0.1
253.09291	0.1
285.90012	0.1
293.21310	0.1
378.77142	0.1
412.62607	0.1
565.24109	0.1
648.62823	0.1
728.41687	0.1
802.38361	0.2
803.39368	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98522	0.2
62.99262	0.1
70.31808	0.2
71.01392	0.2
80.96517	0.1
103.00280	0.1
171.40210	0.1
209.11897	0.2
293.21085	0.1
304.82068	0.1
399.00244	0.1
616.30627	0.1
624.76514	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98827	100.0
62.10246	0.1
62.98536	0.3
69.01048	0.1
71.01403	0.2
71.42290	0.1
78.38558	0.1
78.95901	0.4
79.95718	0.7
80.96508	1.7
85.95070	0.1
92.80934	0.1
94.94490	0.1
94.98065	0.1
96.96015	0.4
98.19827	0.2
101.02392	0.1
114.13367	0.1
156.42848	0.1
164.98674	0.2
180.89465	0.1
183.65109	0.1
184.67749	0.1
209.11876	0.4
225.00806	0.3
247.09534	0.2
277.21774	0.4
279.23178	0.2
281.29388	0.1
293.21249	0.2
318.92184	0.1
426.51486	0.1
663.22473	0.1
785.37903	0.4
803.38800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
70.61454	0.5
70.61786	0.6
71.01378	4.8
72.63509	0.3
72.99320	0.5
73.02931	0.5
83.01371	0.9
83.62495	0.3
85.02945	1.2
86.54370	0.3
87.00864	0.3
89.02455	2.1
92.02710	0.5
93.03454	23.2
94.03802	0.6
95.01382	1.1
96.96001	4.1
99.00870	0.4
101.02438	2.1
107.05035	1.4
108.02146	0.9
113.02441	3.0
119.03483	0.7
121.02967	0.5
123.00903	0.9
123.04509	1.0
125.02448	0.6
133.05110	0.5
135.04509	2.0
136.01651	12.0
137.02437	58.5
138.02829	2.4
141.23383	0.3
149.02400	2.0
151.03999	6.0
161.04561	0.6
175.55469	0.3
177.05656	0.5
179.03482	48.0
180.03864	2.6
186.16623	0.4
209.04549	8.5
210.04919	0.6
239.05585	28.8
240.05931	2.5
240.07970	0.4
260.24167	0.4
295.10336	3.8
296.10794	0.3
299.07739	0.9
301.09213	1.4
305.10709	0.5
307.12134	4.7
326.60864	0.3
389.15967	0.7
415.12396	100.0
416.12738	11.4
417.12827	2.6
419.16901	0.8
437.12723	0.5
467.13086	0.5
543.66071	0.4
554.60461	0.3
803.25470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.1
61.98823	0.7
63.11004	0.1
66.91792	0.1
68.99548	0.1
69.63732	0.4
71.01375	0.1
76.23674	0.1
78.95895	0.6
79.95733	3.7
81.93657	0.1
85.02914	0.1
95.97618	0.1
96.96007	100.0
97.95928	0.3
97.96493	0.1
209.11848	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.4
61.98821	18.4
68.99571	3.1
69.03456	1.9
71.01373	53.6
71.59896	2.3
73.02939	5.4
79.95723	4.1
81.03443	3.9
83.01371	6.0
83.05015	5.4
84.02168	3.7
85.02946	7.1
87.00859	5.6
89.02443	11.6
93.03411	2.2
95.01395	2.4
95.05022	1.8
95.67081	1.6
96.96005	100.0
97.02963	5.2
97.06589	7.1
97.95972	1.5
101.02445	12.4
101.53595	1.7
104.79126	1.5
109.06593	11.6
110.30152	1.5
112.98561	3.3
113.02435	6.5
119.03508	3.0
125.02412	3.1
125.09678	8.6
135.08153	3.1
137.09686	2.0
141.01778	2.0
148.31323	1.7
149.09741	2.2
155.10773	2.1
161.04544	5.2
163.11249	10.7
165.12819	3.2
171.10258	55.1
172.10568	2.4
181.12321	4.4
183.13908	3.5
185.11768	5.0
189.09259	2.3
191.10777	2.6
193.12297	9.7
197.11925	3.2
201.11322	13.7
207.10234	24.0
209.11798	64.7
210.12227	2.2
211.13377	50.1
212.13693	2.1
215.12703	1.9
225.11316	34.3
225.14851	16.9
226.11856	4.7
227.12845	5.9
235.08292	8.9
241.14429	24.0
242.14755	2.1
243.12344	2.3
243.15968	5.8
253.09315	23.5
254.09663	2.3
291.19348	1.8
323.22351	2.4
341.23306	91.3
342.23645	12.3
379.12354	3.0
397.13162	7.9
461.20346	6.3
596.80206	2.0
766.76996	1.9
785.42926	7.4
803.44836	3.1
812.48914	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	803.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.9
61.98829	9.1
68.99569	1.9
69.03440	3.1
71.01379	82.8
71.13595	2.9
73.02945	4.6
75.00840	2.2
78.95930	1.9
79.95733	4.7
80.02656	2.1
81.03445	4.0
83.01388	5.2
83.05014	6.3
84.02139	2.8
85.02944	7.2
87.00857	6.2
89.02428	10.5
93.03423	1.8
95.05024	3.4
96.96008	99.7
97.02937	4.9
97.06602	11.2
101.02447	13.0
108.21703	1.8
109.06583	12.4
112.98540	4.3
113.02421	6.5
119.03460	2.4
125.09701	5.0
128.90132	2.0
133.01370	2.5
133.05052	3.1
135.08145	3.0
161.04536	5.0
161.09737	1.9
161.33684	1.7
163.11247	11.6
167.10742	2.0
171.10257	46.9
172.10593	1.8
179.05586	2.1
181.12323	4.1
183.13838	2.6
185.11807	3.4
191.10693	3.6
193.12334	11.0
197.11774	3.2
201.11336	16.7
207.10246	26.8
208.10406	2.7
209.11804	51.4
210.12193	2.4
211.13368	39.6
223.13376	2.3
225.09206	3.0
225.11316	39.2
225.14809	16.8
226.11954	5.6
227.12854	4.0
235.08177	5.4
241.14455	21.8
243.12320	3.5
243.15959	8.0
253.09286	23.9
254.09647	2.0
298.19165	1.8
341.23288	100.0
342.23685	7.7
380.45209	2.4
397.13443	7.6
461.20197	6.1
519.20898	1.9
563.85913	1.9
591.26282	2.6
617.39752	1.9
735.25897	2.1
767.42578	2.6
773.66199	1.9
785.42462	5.5
786.43628	3.3
803.45117	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	804.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.9
63.02391	0.7
65.00332	1.9
71.60341	0.9
83.01381	1.2
96.96022	1.2
107.01392	3.5
108.02183	1.2
109.02975	1.7
111.63285	0.5
121.02969	1.8
122.63834	0.5
135.00923	1.0
148.01698	1.1
149.52083	0.5
150.70341	0.5
151.00365	17.0
163.00371	3.8
163.04037	0.7
178.99844	7.9
199.04016	0.7
211.03941	1.3
219.71971	0.5
226.02747	1.4
227.03513	2.5
229.04936	0.8
239.03371	0.8
243.02959	8.8
244.03343	1.1
245.04535	1.6
254.02206	2.3
255.02969	25.3
256.03378	2.6
271.02460	50.5
272.02875	6.0
273.04065	1.6
283.02408	1.6
299.02069	1.4
300.02744	100.0
301.03445	46.4
302.03778	3.3
305.10550	1.3
343.04446	1.0
739.10834	0.6
741.18787	91.9
742.19171	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98526	0.2
79.95722	0.2
80.96503	0.7
101.88978	0.1
152.98578	0.2
208.72852	0.1
209.11902	0.2
225.00743	0.2
277.21725	0.3
590.79193	0.1
804.40503	0.3
805.40717	0.7
833.25928	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
61.98814	1.7
66.61533	0.6
67.01871	1.4
71.01375	5.4
72.99294	1.0
73.02924	1.6
74.99100	1.1
75.00854	1.4
75.19083	0.6
79.95724	1.4
80.96535	0.9
83.01370	1.0
85.02934	3.7
87.00908	1.7
87.04519	0.7
88.66320	0.6
88.98817	0.8
89.02423	3.1
95.01380	1.7
95.04978	0.7
96.95997	6.9
99.00860	1.2
101.02412	3.3
107.05033	1.1
109.02955	3.8
111.00868	0.9
113.02438	2.5
116.92838	1.3
118.53152	0.6
119.03477	0.8
121.02956	1.2
123.00909	1.1
123.04497	1.6
125.02475	2.0
132.03014	1.8
135.04536	1.0
136.01671	1.3
137.02440	25.7
138.02786	0.9
139.03954	0.8
149.02420	2.5
149.15590	0.6
150.03206	2.3
151.00369	8.2
151.03970	3.8
152.01085	1.4
152.04749	1.2
155.10680	0.7
161.02391	0.8
162.70723	0.7
163.03984	1.4
164.01202	1.5
164.04784	1.1
165.01915	100.0
165.05518	3.1
166.02702	24.6
167.03377	3.0
169.01398	0.6
175.03983	2.3
177.01923	1.9
177.05534	1.4
178.02699	0.6
179.03482	18.1
179.05328	1.0
179.05669	0.9
179.07144	1.3
180.04269	58.6
181.05038	31.5
182.05391	1.0
184.03799	1.1
187.04056	1.9
190.06395	1.1
191.03326	0.8
192.04236	0.9
193.05052	2.0
194.05902	3.8
195.02954	3.0
195.06609	78.1
196.06911	3.7
202.06320	1.1
203.03532	1.2
203.07147	1.0
205.05000	4.3
205.08760	1.0
207.06627	1.2
210.05313	12.9
211.05881	1.1
219.06644	1.0
220.07420	3.4
221.08273	0.8
225.07666	72.8
226.08037	4.5
271.02603	0.7
272.03116	0.6
339.08826	0.8
359.11115	1.3
387.10162	3.4
387.15240	3.5
402.13208	2.5
403.13657	1.0
412.48550	0.7
416.14899	2.8
417.15485	42.4
418.15854	5.5
419.76941	0.7
481.22296	1.1
565.19196	1.2
595.21820	38.1
596.22241	6.2
625.23083	1.0
643.23920	29.2
644.24139	5.6
701.42358	1.0
805.40094	1.9
806.39233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	0.9
59.01101	1.1
59.01380	14.1
61.98824	3.6
67.01888	1.2
71.01386	10.8
73.02946	2.4
75.00861	1.3
79.95757	1.1
83.01406	0.8
85.02947	2.3
87.00863	2.8
88.50995	0.8
88.98794	1.1
89.02440	10.0
93.03425	0.9
95.01383	2.0
96.96014	7.3
97.02925	1.0
99.00886	1.2
101.02437	5.7
109.02937	5.5
113.02454	6.4
116.92834	1.3
119.03499	5.2
121.02926	0.9
123.00878	2.8
123.04505	1.6
125.02445	3.1
133.02982	0.9
135.04507	0.8
136.01682	1.8
137.02432	23.8
138.03201	1.3
139.04013	1.8
149.02408	2.0
150.03200	2.8
151.00371	10.7
151.03976	5.9
152.01123	2.5
152.04770	1.7
155.10812	1.6
161.02495	1.5
161.04512	1.6
162.03220	0.9
163.04034	1.5
164.01141	1.9
165.01921	100.0
165.05550	4.6
166.02708	32.9
167.03418	4.3
175.02457	0.9
175.03978	2.8
175.07828	0.8
177.01859	5.8
177.05568	1.1
178.02550	1.0
179.03499	19.9
179.05594	2.0
179.07092	1.2
179.10692	0.8
180.04272	59.6
181.05060	36.5
182.05327	1.7
184.03769	1.3
187.03990	2.3
189.05481	0.9
190.06380	2.0
191.03487	1.6
192.04295	2.8
193.04984	1.4
194.05937	4.1
195.06615	73.3
196.06944	3.2
205.05115	4.0
207.06665	3.7
210.05312	11.3
211.05858	1.1
215.95073	0.8
218.05795	0.8
220.07448	1.7
221.08224	1.4
225.07668	71.3
226.08061	3.8
226.31058	0.8
229.09622	0.8
229.13396	1.1
256.39536	0.8
271.02664	0.9
279.38812	0.8
345.09583	0.8
359.11316	1.5
371.11053	1.2
372.12100	1.0
385.12747	1.3
387.10706	3.8
387.15063	5.7
399.14667	1.3
402.13211	3.2
403.13681	1.9
416.14801	3.5
417.15512	49.8
418.15839	6.5
481.15225	1.1
565.18805	1.6
580.19177	1.1
595.21844	45.1
596.22107	7.4
613.22614	1.4
643.23926	30.7
644.24518	5.5
701.40704	1.4
805.25873	2.6
805.39728	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	805.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.3
59.01373	15.8
61.98823	8.4
66.58353	2.5
71.01367	16.1
71.58694	2.9
73.02932	3.4
75.00848	4.0
79.95735	5.3
83.01355	3.2
83.05019	5.7
85.02931	7.1
87.00884	2.8
89.02429	7.2
95.01383	4.2
96.96006	100.0
97.02933	3.7
98.95610	3.5
99.00869	4.2
101.02426	11.9
109.06613	10.8
113.02462	7.3
116.92847	14.9
124.91789	2.1
128.90132	2.9
133.06696	2.1
135.08119	5.3
153.21140	1.9
163.11261	12.4
171.10194	4.0
185.11885	3.0
207.10236	41.9
209.11809	94.5
210.12154	4.6
225.11302	28.5
227.12885	24.8
235.08250	7.4
253.09216	16.0
287.16528	5.8
305.17587	14.4
341.23071	3.5
399.21722	3.0
443.19177	6.1
445.20496	5.2
452.21317	2.4
461.20178	9.6
523.25824	3.0
541.26886	2.9
635.30786	37.6
636.30994	6.5
653.21747	3.0
653.31720	37.8
654.32208	7.2
671.32813	42.1
672.33368	21.3
751.38861	7.4
795.45117	8.8
796.45471	11.1
797.46313	3.8
805.37982	35.9
806.37292	5.3
813.46405	6.6
814.46704	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	807.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	1.6
59.01375	23.0
61.98810	1.0
62.87346	0.8
64.34210	0.7
69.03436	0.8
71.01378	3.3
71.60220	1.0
72.99295	1.0
75.00840	0.9
79.95747	1.3
84.47086	0.8
85.02941	1.8
85.39213	0.9
87.00874	0.9
89.02444	1.9
93.03450	2.7
96.96010	10.4
101.02430	1.7
109.02935	1.5
113.02442	1.2
121.02937	3.5
122.03744	10.8
123.04539	1.6
124.01633	1.1
125.02446	1.7
128.90138	1.0
133.02950	1.8
135.04579	1.1
136.01656	2.1
137.02455	7.8
149.02423	25.5
150.03220	76.6
151.00334	1.4
151.03717	3.0
153.05489	1.4
163.03952	2.4
164.04776	8.4
165.01927	46.2
165.05562	82.6
166.02641	4.2
166.05872	4.1
167.07138	1.3
175.03973	3.4
177.01840	1.9
179.03503	6.4
179.07059	1.5
180.04274	35.1
181.04980	5.6
189.05560	1.3
190.06320	3.4
191.07050	3.2
193.04852	1.1
194.05769	3.0
195.06610	73.2
196.06938	3.7
203.07314	0.9
205.08620	3.1
207.06566	2.7
210.05333	6.2
211.05850	0.9
215.57542	0.9
225.05426	1.7
225.07663	34.0
226.08112	1.4
270.08954	1.0
274.64975	0.9
285.11258	2.1
291.12665	1.0
297.07547	1.1
298.08325	1.1
299.09119	2.1
299.12579	1.1
311.09366	1.2
313.10706	1.7
314.07791	1.4
327.12280	2.4
328.13092	5.7
329.10266	5.0
341.10153	6.9
343.15543	4.4
344.12582	8.1
345.13150	1.4
356.12503	5.1
357.12820	1.1
359.14935	20.3
360.15332	1.8
371.14932	13.4
389.16028	15.9
390.16388	1.5
401.67697	1.0
419.16910	1.5
421.16483	1.3
492.17950	2.9
507.20139	8.2
522.18872	1.1
537.21210	36.8
538.22125	5.0
555.21979	1.5
567.22113	3.6
585.23364	100.0
586.23669	15.2
597.23193	1.4
615.24402	13.4
616.24390	2.5
627.24652	1.7
645.25354	3.6
738.79108	1.0
807.30042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95998	1.5
59.01379	27.6
61.98824	3.2
64.67667	1.8
71.01374	7.3
71.61497	2.3
75.00839	1.9
76.09618	1.8
80.96497	4.6
85.02944	4.6
87.00851	2.6
88.98811	2.5
89.02432	2.8
93.03436	3.5
95.01382	2.2
95.05011	1.6
96.96008	21.8
99.00961	1.9
101.02415	3.0
109.02872	2.1
113.02423	2.9
119.03466	1.5
121.02959	4.1
122.03691	9.2
123.00887	1.8
123.04501	2.9
124.01643	1.8
125.02433	2.4
128.90134	4.6
133.02928	2.0
137.02435	12.1
149.02426	26.5
150.03218	71.6
151.03926	5.3
151.07401	1.6
164.04811	9.7
165.01923	75.2
165.05553	87.4
166.02501	4.1
166.05957	2.8
174.03185	1.7
175.03951	6.7
179.03493	10.0
179.10663	1.8
180.04274	53.6
181.05031	8.9
190.06311	2.7
191.07068	3.2
193.05006	4.4
194.05849	2.8
195.06615	100.0
196.07014	4.7
203.07051	2.5
205.08640	6.6
207.06598	3.7
208.07350	2.7
210.05396	10.4
223.09657	1.9
225.07675	60.8
226.08000	4.4
289.06937	2.4
291.12646	2.7
301.11703	2.8
303.09113	2.6
313.11014	2.0
319.09241	2.1
326.07874	1.7
327.12646	2.0
328.13153	6.2
329.10159	5.5
341.10187	8.5
343.11813	2.0
343.15564	4.2
344.12637	6.0
345.13187	2.4
356.12463	6.2
359.14917	18.8
371.14896	11.0
389.16058	20.5
390.16473	2.5
421.16205	2.9
492.17731	2.8
507.20233	7.5
531.07507	2.0
537.21234	39.0
538.21509	5.2
555.22870	2.3
567.22308	5.2
585.23346	98.3
586.23767	16.8
597.23578	2.2
615.24683	22.7
616.24719	3.4
627.24792	3.1
645.25415	7.5
807.30005	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	807.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.3
61.98828	13.2
67.77668	3.5
69.27071	28.9
69.27477	7.9
71.01379	9.2
75.00865	3.8
88.98810	6.6
89.02438	4.7
96.96011	16.6
98.06720	3.6
101.02448	7.1
109.06563	8.2
116.92850	8.4
165.16516	4.1
171.10213	5.8
197.11734	5.3
207.10210	21.1
209.11786	100.0
211.13472	6.4
214.20436	4.6
225.11363	9.8
227.12868	24.9
235.08214	11.7
253.09221	29.2
307.19028	4.3
309.20477	5.2
310.29211	4.1
325.20099	46.0
327.21753	28.9
412.57169	3.9
445.20959	4.7
480.08517	4.3
561.29144	5.3
563.30377	5.2
753.40741	6.1
771.42255	20.5
772.42712	7.4
807.39600	81.9
808.39618	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36640	0.9
59.01365	5.9
61.98808	1.1
69.98754	4.3
71.01380	8.1
73.02927	1.2
81.03473	1.2
83.05012	3.7
85.02949	1.3
87.00858	1.0
89.02431	3.9
96.96027	1.5
97.02928	2.3
97.06570	2.8
98.20617	1.9
101.02429	4.8
109.06559	5.9
111.08169	1.9
113.02427	3.4
119.03564	1.2
125.09717	3.1
134.77878	1.0
153.12863	1.1
161.04510	2.0
163.11293	8.0
164.99269	1.0
165.12881	2.5
171.10286	5.1
181.12263	1.9
185.11823	3.1
189.09088	1.2
191.10786	1.5
191.14328	2.2
197.11856	9.6
199.09497	1.2
201.11264	2.4
207.08363	1.3
207.10260	18.6
209.11821	100.0
210.12178	5.9
211.13354	4.1
225.11288	13.3
227.12869	25.9
235.08185	4.4
245.19061	6.5
253.09276	20.5
254.09608	1.3
263.20209	1.7
289.18088	25.3
290.18332	2.7
291.19647	10.1
307.19135	24.5
308.19559	2.8
309.20697	25.7
310.21045	1.8
405.89340	1.2
445.20612	1.7
461.20010	3.0
685.35260	1.2
721.32178	2.2
753.40643	5.8
807.39526	10.0
808.39630	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	807.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.7
61.98822	13.8
68.65319	2.7
70.12555	7.0
71.01388	18.5
72.00990	2.6
78.95886	9.2
81.03428	3.9
83.05019	5.1
85.02970	4.1
87.14189	2.4
88.98775	2.8
89.02430	7.3
95.05011	3.2
96.96001	9.0
97.02933	5.8
101.02431	7.5
109.06575	14.2
113.02431	5.9
116.92770	3.1
125.09727	3.2
126.37960	2.3
137.09740	7.1
137.27765	2.5
143.03510	3.1
161.04483	4.7
163.11278	9.4
171.10251	26.3
177.09123	2.5
185.11850	3.9
186.45583	2.7
197.11769	2.7
207.10223	38.2
208.10619	2.8
209.11810	100.0
210.12190	9.2
211.13454	22.1
225.11340	22.5
227.12811	22.8
235.08191	8.6
237.15015	3.6
251.16547	4.4
253.09297	18.7
287.16367	8.3
289.18085	17.1
291.19638	22.0
305.17639	13.0
306.17941	3.8
307.19144	19.7
308.19330	3.0
309.20837	12.6
327.22266	3.0
407.19611	3.2
461.20114	7.4
506.16830	2.5
565.63879	3.0
582.92676	2.9
637.34332	3.0
655.47876	3.0
673.69672	3.0
710.47150	2.6
735.39154	3.9
753.40149	8.3
769.71265	2.8
807.39160	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	807.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22087	1.0
57.03436	1.3
59.01376	29.6
61.98811	4.9
68.99792	1.8
71.01002	2.1
71.01378	34.5
71.14481	1.6
72.99294	3.1
73.02939	3.3
75.00869	16.2
83.01382	3.5
85.02946	13.7
87.00877	2.2
89.02432	14.0
93.03422	2.0
95.01396	7.3
96.96008	6.5
99.00880	13.3
99.92563	2.5
101.02435	17.2
113.02438	10.4
116.92845	18.4
116.97205	1.6
117.01888	1.7
119.03477	3.6
123.61269	1.1
125.02509	1.2
136.89125	1.4
137.02417	3.7
161.04501	1.9
179.05624	1.1
209.11789	9.0
225.11357	1.3
227.12921	1.2
227.69417	1.1
252.34242	1.2
253.09142	1.2
300.08597	1.0
309.20755	1.2
344.34543	1.0
344.96921	1.0
390.77267	1.0
414.50378	1.2
467.31595	1.9
515.04388	1.3
537.36072	2.5
606.98029	1.3
643.42358	1.3
765.44910	1.4
807.41608	100.0
808.42078	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
61.98834	50.1
62.66764	6.8
69.28320	44.1
69.28738	10.4
71.01376	23.1
79.95676	6.2
80.96515	31.7
82.95412	22.9
87.00892	5.9
89.02448	7.2
96.96010	10.8
97.02966	10.9
98.19849	11.3
99.00854	7.4
101.02479	6.3
108.96830	6.5
109.06569	13.8
125.02399	6.5
161.04503	6.3
163.11230	8.6
171.10193	37.1
181.12308	17.5
199.13348	16.3
207.10254	48.2
209.11717	8.3
225.00624	7.0
225.11317	69.0
235.08232	7.3
243.12253	18.4
253.09305	10.2
255.23242	19.4
277.21741	100.0
278.21890	10.8
397.13257	13.4
461.20233	18.3
479.21271	10.8
502.94678	7.0
511.23700	6.5
721.42151	13.5
739.42480	49.3
740.42902	9.2
771.45264	19.0
807.41858	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.0
57.24533	0.2
59.01367	1.0
59.04675	0.2
61.09362	0.2
67.01909	0.2
69.03455	0.7
71.01379	0.9
73.02958	0.2
80.02668	0.3
81.03452	2.5
83.01376	2.5
85.02946	0.6
87.00834	0.2
89.02438	0.8
93.03465	1.6
95.01381	0.7
95.05022	3.2
96.96011	1.1
97.02942	6.0
98.03304	0.3
99.00896	0.2
99.04517	0.4
101.02437	0.7
105.03458	0.2
107.05031	0.5
108.02178	1.1
108.02805	0.2
109.02946	24.5
110.03289	0.9
111.04484	0.3
113.02427	0.2
121.02964	3.8
121.03777	0.1
122.03754	1.2
123.00892	0.3
123.04517	16.4
124.01702	0.4
124.04832	0.5
125.02440	16.9
126.02765	0.8
131.03464	0.4
133.02959	0.5
134.55116	0.2
135.04523	2.3
137.02437	11.2
138.03079	0.8
139.04007	3.8
145.02924	1.4
146.03706	1.0
147.04486	0.5
149.02451	3.7
149.04451	0.2
150.03233	1.4
151.04004	8.0
152.04413	0.4
157.06543	0.4
158.03723	0.3
159.04518	2.9
160.05284	1.5
161.02448	1.2
161.06062	5.0
162.03238	1.8
163.03992	0.9
164.01143	2.8
165.01936	3.7
166.02608	0.9
167.03502	1.7
173.04616	0.3
173.06021	1.0
174.03232	0.7
174.06784	0.3
175.04002	2.6
175.07675	1.7
177.05540	0.5
179.03479	6.2
180.03906	0.5
185.06056	1.0
187.02319	0.3
187.03993	5.0
188.04771	4.2
189.05304	0.3
199.07611	0.6
201.05539	0.8
202.06322	1.9
203.03394	0.4
203.07121	12.7
204.07425	0.9
205.05040	8.0
206.05322	0.4
212.04735	0.7
217.05022	0.3
217.08681	0.7
221.08170	3.2
227.07114	2.4
230.05789	0.8
231.03029	0.6
245.08157	16.5
246.08459	1.2
247.06143	1.1
271.06219	0.9
287.05713	0.5
289.07153	100.0
290.07501	8.9
291.07925	0.5
307.12140	0.3
359.14862	0.4
387.20313	1.3
435.41943	0.2
519.24475	2.5
752.10345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01374	6.7
61.98813	4.8
71.01363	5.9
71.59743	1.5
73.02946	1.5
75.00857	1.3
81.03406	1.4
83.05012	2.5
85.02935	4.0
87.00845	2.4
88.98788	1.7
89.02426	4.9
96.96004	7.4
97.06582	2.5
99.00880	1.3
101.02412	4.6
113.02428	3.8
116.92843	5.4
137.02448	1.4
157.09601	1.1
161.04553	2.7
163.11269	2.0
165.12820	1.5
171.10185	3.0
179.05611	2.5
185.11815	1.5
197.11703	1.1
209.11813	100.0
210.12109	4.8
211.13350	6.2
221.11826	1.3
225.98820	1.0
227.10725	1.7
227.12869	25.8
229.14340	5.9
235.08215	18.4
243.86519	1.3
253.09277	29.9
254.09688	1.4
291.19611	3.8
309.20663	12.7
310.20932	1.1
327.21738	82.4
328.22159	5.3
329.68530	1.3
333.50751	1.2
351.21375	1.2
415.31915	1.1
445.20773	14.0
446.21094	2.3
463.21786	1.8
519.33118	4.6
545.29974	9.7
546.30322	2.0
563.30615	12.4
564.30872	1.8
755.42938	5.4
756.43280	1.5
809.40967	55.6
810.41278	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
58.00595	1.3
58.03355	1.0
59.01373	21.7
61.98825	7.9
68.99812	1.9
71.01378	20.7
71.59222	1.4
72.99293	3.4
73.02946	2.1
75.00858	7.0
79.95754	2.2
81.51955	1.2
83.01378	3.2
85.02934	9.3
87.00877	3.1
89.02441	9.4
89.64449	1.2
95.01385	3.7
96.96004	33.9
98.95580	1.0
99.00882	13.1
101.02438	10.4
108.02168	1.3
109.02985	1.7
111.00868	1.5
113.02435	10.3
116.92858	4.6
119.03500	3.2
121.02940	1.7
122.03724	2.6
123.04453	1.1
125.02435	2.4
136.01648	1.5
137.02477	2.6
149.02467	5.8
150.03226	15.4
151.03931	3.5
152.01024	1.1
161.02394	1.1
161.04552	1.2
165.01947	1.6
165.04190	1.8
165.05556	13.7
177.05627	1.0
177.29524	0.9
179.07181	1.6
180.04266	1.2
181.05034	1.4
195.06549	8.4
203.03493	1.1
209.11803	1.8
275.01993	1.6
301.00027	1.3
342.27551	1.0
387.14136	1.1
435.90302	1.1
469.33020	2.7
471.34778	2.9
553.35583	1.5
565.20795	3.0
585.38275	1.3
616.01569	1.2
629.36749	4.3
648.34827	1.3
809.43304	100.0
810.43713	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	809.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.0
58.00575	1.8
59.01106	2.2
59.01377	33.3
61.98827	2.4
62.64104	1.3
67.01856	1.4
68.99799	1.5
70.11411	1.4
71.01378	35.8
71.59667	1.8
71.60052	1.5
72.99286	4.8
73.02939	3.8
75.00871	16.7
83.01376	5.3
85.02955	13.6
87.00851	4.0
89.02447	14.8
95.01389	6.9
96.96017	8.2
99.00874	14.6
101.02434	19.8
113.02451	16.1
116.92849	3.3
119.03474	4.0
146.48500	1.4
157.01424	2.2
209.11781	1.9
219.21832	1.5
303.65225	1.5
425.33987	2.8
501.63773	1.6
765.44031	4.5
809.43311	100.0
810.43646	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	809.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01379	17.8
61.98816	4.0
64.74200	1.4
70.26521	4.9
71.01006	2.0
71.01377	38.4
72.99300	2.2
73.02947	6.7
78.95866	1.6
79.99943	1.1
83.01370	3.0
85.02954	11.6
87.00906	2.8
89.02444	9.9
95.01375	1.9
96.95997	5.3
99.00873	4.4
101.02432	20.7
106.23512	1.3
111.00882	1.5
113.02430	14.3
113.44533	1.1
116.66398	1.3
116.85223	1.2
119.03446	3.7
125.02379	2.4
129.01889	1.3
131.03511	1.8
139.41913	1.4
141.01924	1.4
143.03494	1.7
159.02936	2.1
159.46587	1.1
161.04541	9.2
163.11241	1.5
171.10266	3.3
179.05548	1.8
185.11949	1.5
197.11765	1.5
207.10269	1.7
209.11722	3.8
209.13580	1.3
210.12051	1.5
211.13370	3.0
221.06711	3.0
225.11273	4.3
227.12880	2.7
231.14058	1.7
232.36284	1.3
233.15446	4.3
235.17000	23.1
236.17303	2.4
249.14853	4.4
253.09157	3.0
291.19449	2.8
293.21249	2.3
307.19391	1.3
309.20624	3.6
311.48270	1.3
316.04245	1.3
573.25140	2.3
647.37756	2.9
749.45172	1.3
809.43237	100.0
810.43427	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	809.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39853	0.9
59.01364	1.6
59.11407	0.9
59.34809	0.9
63.33842	0.9
63.96218	2.2
70.72668	1.5
70.72985	1.6
70.94173	0.8
71.01383	11.1
73.02940	1.8
76.65057	0.8
78.19401	1.0
78.95896	2.8
78.98584	8.1
79.95736	42.2
80.96515	100.0
82.96072	1.6
85.02936	3.7
87.00862	3.1
94.98087	24.5
96.95979	2.3
97.02924	1.3
101.02460	2.5
106.98101	4.9
122.97581	5.6
125.02435	3.6
127.04005	1.3
134.97577	7.6
136.99121	2.5
148.99130	8.7
152.98601	6.0
152.99631	2.0
161.04532	1.3
164.98628	16.4
206.99646	4.8
224.98682	1.4
225.00761	23.6
226.01019	1.0
241.00180	1.0
255.23271	2.5
283.26364	2.1
320.33707	1.3
320.70602	0.9
341.05414	1.2
346.70123	1.0
355.19302	0.9
366.31635	1.0
386.47241	1.1
501.16812	1.2
537.27197	1.0
565.30304	1.9
791.42212	12.8
792.42773	3.7
809.43616	83.3
810.43890	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	809.497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20744	19.4
61.98824	45.5
65.42037	21.1
65.59122	20.5
70.14376	100.0
109.83972	22.5
195.97868	22.6
204.94620	25.6
213.79726	25.3
277.21671	57.3
302.22906	24.7
755.44507	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	811.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
58.00576	1.4
59.01377	29.2
61.98827	5.4
67.01883	0.6
68.99805	1.1
70.40989	1.2
71.01379	27.8
72.01682	0.5
72.99294	2.4
73.02956	2.0
74.31324	0.4
75.00867	13.6
79.95715	0.8
83.01373	3.3
85.02944	10.7
87.00877	2.8
89.02435	12.3
94.18302	0.4
95.01379	4.4
96.96004	7.3
97.02953	0.5
99.00877	11.4
101.01796	0.8
101.02437	13.7
111.00844	0.7
112.01658	0.5
113.02444	10.3
115.00419	0.4
119.03513	2.9
129.01942	0.5
137.02431	0.5
139.00333	0.6
143.03491	0.6
157.01389	1.1
161.04517	1.2
165.01944	0.4
274.93521	0.4
287.09393	0.4
289.11148	5.3
290.11542	0.7
305.10590	0.6
318.31854	0.4
396.96960	0.4
423.32895	0.6
449.12219	1.0
471.34949	1.9
541.38739	1.7
542.40894	0.6
631.38300	0.7
811.44781	100.0
812.45178	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54739	0.8
71.14516	1.5
95.01384	1.3
96.96001	2.0
98.06509	1.0
99.00822	0.9
117.03443	1.3
123.00884	4.3
125.02426	3.3
129.03462	1.5
131.04997	0.9
133.02937	1.6
136.49525	0.8
141.03444	1.1
142.64839	0.9
143.05046	1.1
145.02928	5.3
145.06563	1.1
146.03773	1.2
147.04486	1.6
157.02940	5.3
159.00821	0.9
159.04466	2.8
161.02396	3.2
163.04044	1.8
165.01872	1.2
169.02869	2.1
171.00916	1.7
171.04532	1.3
173.02397	5.8
174.03134	1.4
175.03955	3.2
176.01236	0.9
177.01828	3.5
179.03491	1.2
185.02390	10.6
187.00330	2.9
187.03943	3.2
188.01120	4.9
189.01884	6.7
190.02608	1.6
191.03442	2.7
197.02522	2.1
199.00415	1.4
199.04008	1.9
200.00996	1.5
201.01904	10.3
201.05513	1.2
202.02597	2.8
202.99849	1.0
203.03517	6.9
205.01414	1.1
213.01917	13.7
214.02632	2.6
214.99846	1.8
215.03410	4.0
216.00607	5.1
216.03972	1.1
217.01376	8.5
218.99271	1.3
219.02905	2.0
225.01823	1.8
226.99879	1.9
227.03523	3.0
228.00737	1.8
229.01395	23.7
229.04871	1.1
230.01958	3.3
230.99301	1.2
231.02940	10.9
232.03503	1.7
233.75519	0.9
239.03488	1.2
240.00604	1.0
241.01382	16.0
241.05019	1.2
242.02011	4.1
242.99258	2.1
243.02975	7.9
244.00079	2.9
245.00890	9.2
246.01430	1.5
246.99994	0.9
247.02441	2.6
248.03235	1.1
249.03972	10.6
254.99254	1.8
255.02910	2.5
257.00894	14.9
258.01645	10.2
258.99124	0.8
259.02319	5.3
259.99652	7.6
261.00320	8.5
269.00873	26.4
269.03848	1.3
269.87869	0.8
270.01312	2.5
270.98807	2.9
271.02420	5.4
271.99692	1.8
272.02988	1.2
273.00424	9.7
273.03503	1.3
274.01102	3.5
275.01947	25.5
275.05008	1.5
276.02319	2.5
283.02298	1.8
283.99509	2.8
285.00400	15.6
285.03510	1.4
286.00943	2.0
287.02029	1.8
288.02933	0.9
288.99838	2.9
290.00583	1.2
291.01468	1.3
297.00385	22.4
298.00836	2.4
298.58627	1.0
298.98215	7.1
299.01556	1.4
299.99167	7.6
300.99860	100.0
302.00189	9.9
303.01523	8.0
311.01950	1.8
312.99765	2.4
313.03415	1.6
315.01410	18.0
315.04831	0.6
316.01834	1.3
317.03018	3.1
327.01355	1.0
328.99356	1.5
329.02866	8.9
331.01050	6.1
333.02393	3.9
339.01410	1.1
340.99347	37.4
341.99561	3.9
347.04022	2.4
349.01642	1.3
359.00208	1.1
361.02051	4.0
373.01822	7.6
381.02472	1.0
391.02890	1.1
421.04089	23.5
422.04327	2.0
435.05606	1.6
449.06873	1.5
451.05127	2.4
481.06091	1.5
493.06784	0.9
511.07010	1.2
525.08679	1.0
719.05396	4.5
720.04669	1.1
737.06281	3.5
751.07513	3.7
763.04163	1.2
769.09369	2.0
781.04803	3.1
795.06281	1.5
813.07965	10.9
814.07941	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	813.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.36947	0.8
63.02393	1.9
65.00333	3.2
70.76035	0.9
71.01362	1.4
71.60367	1.3
72.31346	0.7
78.43822	0.8
79.95735	3.7
80.96514	1.3
83.01383	3.5
85.02956	1.0
93.03468	1.1
95.01390	0.8
96.96008	10.4
97.10239	0.7
101.02448	0.8
107.01367	5.9
108.02189	1.8
109.02950	5.2
110.03307	1.0
119.01371	0.8
119.05027	0.8
121.02949	4.7
123.04502	1.8
125.02421	1.3
126.94947	0.8
135.00874	1.6
137.02359	0.9
148.01628	2.3
148.93161	0.8
149.02420	2.2
151.00352	21.9
159.04442	1.3
161.02403	3.5
163.00352	5.3
163.04016	2.2
164.01048	1.4
169.01434	1.1
174.03122	1.0
178.99860	14.0
187.03984	1.2
196.47694	1.1
199.03961	1.3
201.01935	1.1
201.05486	0.9
203.98933	1.5
211.04056	2.0
215.03352	1.6
226.02750	1.3
227.03520	4.0
228.04156	1.2
229.04968	1.8
243.02945	12.1
243.96756	2.7
244.03442	1.9
245.04570	2.2
246.21053	0.8
254.02200	3.7
255.02965	35.6
256.03372	3.0
263.05508	1.0
271.02457	69.8
272.02982	7.5
273.04004	1.9
283.02432	2.0
299.02051	1.6
300.02722	100.0
301.03442	54.4
302.03857	3.5
305.10574	1.8
306.10959	1.3
307.12012	2.7
325.07285	1.0
335.17007	0.9
373.77173	0.8
437.12421	0.8
438.12222	1.4
439.13135	1.3
441.11960	1.6
442.13028	1.0
449.12473	1.9
450.12640	1.9
451.12897	1.3
451.94366	0.8
467.13464	2.0
468.13586	2.9
469.14063	2.4
771.19342	2.3
813.20801	65.7
814.21222	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	813.2089
Annotation	Faratroside
Peak:m/z	Relative Intensity
59.01363	0.5
60.49155	0.4
63.02397	2.1
64.86043	0.4
65.00317	3.4
69.69403	1.4
69.69819	1.7
75.77667	0.5
78.26725	0.4
82.83646	0.5
83.01380	2.1
87.00863	0.5
91.01902	0.6
93.03481	0.7
96.96004	3.3
103.91619	0.5
104.58047	0.5
107.01386	7.0
108.02180	2.7
109.02944	2.2
121.02968	3.3
122.03372	0.4
125.02423	1.4
125.73265	0.4
135.00877	1.0
148.01668	1.5
149.02480	0.5
151.00352	21.5
152.00809	0.5
159.04532	0.6
161.02391	0.7
163.00388	2.7
163.04037	0.8
164.01132	1.2
165.01970	0.6
169.01543	0.8
175.04050	0.6
178.99850	10.5
179.16536	0.6
183.04468	0.9
187.03888	0.7
190.99908	0.8
192.00661	0.5
198.87726	0.5
199.03999	1.3
201.05493	0.9
203.03500	1.0
211.03934	1.5
215.03514	0.9
226.02701	2.2
227.03476	4.2
228.04073	0.9
229.04927	1.2
243.02936	14.1
244.03470	1.5
245.04442	1.9
254.02245	3.4
255.02966	32.2
256.03387	2.5
271.02451	71.5
272.02954	6.6
273.04031	1.5
283.02499	1.5
288.76318	0.5
299.01865	1.7
300.02731	100.0
301.03445	49.6
302.03864	4.0
343.04456	0.6
355.25482	0.5
388.11075	0.5
389.25900	0.6
769.66077	0.6
771.19446	1.8
813.20874	57.9
814.21350	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	813.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.7
59.01382	4.2
61.98827	18.2
61.99318	0.8
69.03468	1.0
69.35435	6.5
71.01383	3.6
80.02674	1.1
80.96540	0.9
81.03424	1.1
83.05025	4.8
85.62086	0.8
87.00867	1.1
89.02453	2.1
95.04983	0.9
96.96009	2.3
97.06593	2.0
101.02425	2.8
105.07795	0.7
109.06577	1.1
111.08173	1.0
113.02477	1.0
122.03732	0.7
125.02445	1.2
151.11259	1.7
157.70503	0.9
161.04581	1.2
163.11243	3.6
165.12805	4.6
171.09981	0.7
179.05635	0.9
179.10692	1.5
181.12328	2.8
187.38623	0.8
191.10764	1.8
205.12442	0.7
207.10115	1.2
209.11809	100.0
210.12129	6.6
225.11409	0.8
227.12880	14.6
228.13181	0.9
235.08186	2.1
245.19040	2.2
253.09268	6.1
263.20111	3.1
289.18100	5.9
307.19135	14.2
308.19403	1.3
327.82788	0.8
382.83716	0.7
445.20987	1.5
552.24384	0.9
557.99854	0.9
581.30463	0.8
655.32758	1.0
735.39697	1.5
753.40741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.9
59.01369	7.6
61.26830	0.7
61.98812	3.3
71.01378	5.0
72.99300	0.8
73.02934	1.5
75.00874	7.2
81.03451	0.7
85.02944	2.6
87.00874	1.5
88.98824	5.1
89.02422	1.5
96.95992	6.0
98.19876	3.0
99.00846	1.0
99.04501	3.0
101.02444	3.8
103.00344	1.2
111.08153	1.3
113.02436	1.7
113.06112	1.1
125.02410	2.2
135.08163	1.1
136.05301	1.2
137.06049	0.9
149.06076	9.8
150.06854	82.7
151.07275	2.7
151.25554	0.7
157.08638	1.8
161.04578	2.5
161.09723	1.2
162.06828	2.2
163.07643	18.6
164.08426	12.4
176.08398	3.4
177.09151	1.2
178.09995	7.8
179.10776	21.6
180.11104	0.9
192.20729	1.1
193.08713	1.1
209.11769	4.0
227.12888	1.2
229.57744	0.8
263.20029	1.4
273.18286	0.7
279.23267	2.0
281.21118	2.0
293.20148	0.7
325.23843	1.6
327.21838	8.5
328.22266	1.2
428.29391	1.9
443.31793	1.8
444.32483	1.0
445.32928	0.8
446.30289	11.3
447.30743	1.2
459.19678	0.8
460.32010	2.2
461.32770	20.5
462.33078	3.8
473.00183	0.7
483.53568	0.9
488.31485	3.2
489.32220	5.1
491.33652	0.9
506.32440	7.7
507.33206	51.7
508.33514	8.1
669.38519	30.8
669.49908	1.6
670.38873	5.7
711.39532	21.1
712.39777	3.7
751.42603	6.3
752.43134	1.2
813.42834	100.0
814.43140	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	813.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96212	1.9
68.42554	1.6
71.01376	10.1
71.58187	1.8
78.98577	8.2
79.26284	1.3
79.95731	21.9
80.96512	100.0
85.02940	3.5
87.00890	4.6
94.98081	23.1
96.95979	1.8
97.02951	2.1
101.02425	2.3
106.98071	5.3
122.97579	6.1
125.02449	3.8
131.33260	1.3
134.97534	7.3
136.99168	1.8
148.99117	9.2
152.98672	8.2
164.98633	15.5
166.58560	1.4
183.57603	1.5
188.98686	1.5
206.99696	4.6
225.00742	32.7
226.45601	1.3
237.10638	1.3
255.23143	2.1
304.89407	1.6
453.14053	3.7
644.70569	1.6
709.38379	69.7
710.38849	14.5
795.41986	5.1
813.43158	46.1
814.43250	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	814.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
60.60652	0.2
61.98829	100.0
62.98548	0.2
70.53347	0.2
71.01381	0.5
71.59041	0.2
74.71584	0.1
78.54652	0.1
78.95894	0.2
78.98612	0.2
79.95753	0.5
80.96513	3.0
80.96953	0.2
86.09374	0.1
87.00895	0.2
94.98111	0.7
96.96017	0.2
125.02488	0.2
134.97604	0.2
148.99057	0.3
152.98631	0.2
164.98589	0.4
207.10318	0.2
209.11943	0.2
225.00752	0.6
275.02100	0.2
300.99783	0.3
427.65866	0.2
472.35010	0.2
635.19586	0.2
815.50134	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	815.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
70.85801	0.9
71.01360	0.6
95.01378	1.1
96.96025	0.5
100.14369	0.4
103.05574	0.4
115.39973	0.4
117.03463	1.1
119.04996	1.0
123.00880	2.1
124.01694	0.5
125.02467	1.9
129.03464	0.6
131.04997	1.1
133.02962	1.3
135.04543	0.5
137.02425	0.6
145.02948	3.8
147.04512	3.2
149.02505	0.5
157.02959	2.2
158.03532	0.5
159.04523	2.4
161.02437	1.3
163.03961	2.3
165.01862	0.4
169.01414	0.5
171.00905	0.4
173.02432	4.3
174.03136	0.9
175.03966	4.3
177.01926	1.0
185.02415	5.9
187.04079	0.7
189.01926	2.3
190.02727	1.0
191.03499	3.3
201.01935	7.9
202.02441	0.8
203.03477	9.4
205.01422	0.7
213.01930	1.7
214.02666	0.9
217.01385	2.4
218.01993	0.5
219.02931	2.2
221.04607	0.6
226.99846	1.7
228.00632	0.9
229.01405	15.9
230.01888	1.6
231.02940	7.3
232.03398	0.6
244.00229	0.5
245.00874	4.8
246.01439	0.7
247.02464	2.9
248.02892	0.5
249.04030	6.5
254.99304	0.8
257.00912	14.4
257.31949	0.6
258.01593	5.7
259.02246	0.7
273.00339	2.5
274.01126	2.7
275.01956	51.7
276.02313	3.8
283.99615	3.5
285.00272	0.5
291.01410	0.8
298.00659	0.5
298.98428	0.6
299.99152	3.8
300.99878	100.0
302.00198	7.4
303.57880	0.4
318.37778	0.4
319.00995	0.5
421.04080	0.6
481.06232	1.4
513.08875	0.6
613.08209	0.6
640.31348	0.3
783.06830	19.4
784.07526	3.5
815.09430	24.6
816.09802	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	815.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	16.9
59.01376	9.5
61.98828	5.2
61.99096	1.1
69.31593	2.6
69.32010	5.8
71.01391	4.8
73.02938	1.1
79.95734	2.5
80.96503	11.1
83.01350	1.8
85.02937	4.1
86.63886	1.1
87.00847	2.3
88.98799	2.6
89.02402	1.1
94.98076	2.0
95.01387	2.2
96.96017	7.3
99.04505	3.9
101.02421	4.4
113.02420	2.6
113.06087	1.6
118.34850	0.8
125.02402	3.0
136.05246	1.3
137.09689	2.1
149.06058	6.9
150.06856	74.6
151.07367	2.4
161.09691	1.8
162.06735	1.2
163.07622	18.0
164.08383	9.3
176.08380	3.6
177.09090	1.1
178.09962	5.6
179.10759	16.2
193.08647	1.1
209.11716	2.1
225.00673	1.7
285.30621	1.1
327.25446	1.1
329.23325	6.8
397.90918	1.1
430.30429	1.3
445.32889	1.9
448.31888	13.4
449.31979	2.1
462.33325	3.1
463.34286	18.3
464.34909	2.4
490.33084	3.3
491.33557	4.5
492.34366	1.1
508.34137	5.4
509.34775	48.3
510.35226	6.3
512.66498	1.1
671.40063	22.9
672.40192	4.1
711.62427	1.3
713.41467	15.3
714.41034	2.1
753.44104	3.7
815.44281	100.0
816.44586	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	815.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.0
61.98812	0.8
70.33366	1.2
71.01381	4.0
72.99323	0.4
73.02958	0.7
75.00864	2.0
78.95912	0.9
78.98573	0.5
79.95737	1.1
80.02661	0.9
80.96062	0.7
80.96513	6.8
81.03474	0.8
83.05029	3.7
84.02168	0.5
85.02953	0.9
87.00881	0.7
89.02442	1.7
94.98063	1.6
97.02915	0.4
99.63507	0.4
101.02444	2.4
106.87578	0.3
106.98090	0.4
113.02449	1.2
113.06123	0.3
125.02429	0.4
125.06061	0.5
135.08160	0.4
161.04541	1.2
163.11252	3.0
164.98640	0.8
165.12848	1.9
165.50122	0.4
171.10286	0.8
179.05594	0.5
181.12347	0.4
191.10759	0.8
207.10233	0.7
209.11809	100.0
210.12144	5.2
225.00774	1.2
227.12875	11.0
228.13286	0.5
235.08127	3.6
241.01060	0.4
253.09299	8.2
255.23256	0.7
259.15466	0.5
277.21698	75.8
278.22043	7.1
427.19843	0.4
445.20840	3.4
513.30579	1.4
797.41144	1.1
815.50244	6.8
816.49957	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	815.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
63.96241	2.3
69.03461	0.9
71.01378	9.7
72.99294	0.6
73.02943	2.2
78.98592	7.2
79.95729	19.2
80.96513	99.0
81.03460	1.5
85.02940	2.9
87.00867	3.6
94.98084	22.0
95.01366	0.6
96.96008	1.5
97.02946	1.7
99.00850	0.8
101.02433	2.7
106.98070	3.6
112.47973	0.6
118.27360	0.5
122.97552	4.7
125.02431	3.0
127.03987	1.1
134.97574	7.0
136.99133	2.0
138.55540	0.6
148.99126	6.9
152.98599	6.7
152.99689	0.6
155.13390	0.6
164.98602	15.4
178.19058	0.6
206.99673	3.6
214.26062	0.6
225.00728	20.6
225.02983	1.1
226.00938	0.6
255.23285	2.3
277.21674	1.4
283.05011	0.7
537.27454	1.6
559.25409	1.8
815.49792	100.0
816.50055	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01366	1.2
63.96236	2.5
69.03455	0.8
69.74680	0.9
69.75090	1.4
71.01381	10.1
73.02947	1.9
78.98586	8.5
79.95733	16.8
80.96513	100.0
81.96478	0.6
83.01388	0.5
83.31956	0.3
85.02929	3.7
87.00861	2.9
91.95189	0.4
94.98081	21.0
96.95994	2.1
97.02946	1.8
99.00870	0.5
101.02415	2.9
106.98083	4.0
113.02470	0.5
122.97578	3.8
125.02431	3.5
127.04038	0.6
134.97569	6.8
136.99159	2.4
146.97601	0.5
148.98000	0.6
148.99132	8.4
152.98611	7.8
164.98616	13.7
165.98885	0.5
179.00235	0.4
182.99626	0.4
188.98569	0.5
206.99667	3.6
225.00714	19.6
226.01099	0.8
248.85495	0.4
255.23090	2.1
277.21680	1.0
283.04944	0.6
357.38556	0.4
381.30969	0.5
408.65036	0.5
427.17419	0.4
537.27313	1.3
549.26788	0.4
559.25922	2.3
560.25244	0.6
815.49750	95.7
816.50085	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	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
63.96244	1.8
69.03450	1.1
70.34628	0.7
70.47924	0.8
70.91405	0.9
70.91772	2.1
71.01371	9.1
73.02934	2.3
78.98586	9.2
79.95737	19.4
80.96511	100.0
82.96107	1.7
85.02925	4.4
87.00874	3.8
94.98083	19.6
96.96018	1.5
97.02950	1.8
99.00872	1.4
101.02427	4.6
106.98074	3.6
122.97579	3.6
125.02435	4.2
127.04024	1.3
134.97559	7.5
136.99126	1.2
147.03311	0.7
148.99136	8.1
152.98625	5.6
164.98618	14.1
190.13896	0.8
195.99341	0.9
206.99634	3.4
225.00716	19.0
226.00980	1.0
255.23187	2.4
267.64279	0.8
277.21756	1.6
537.27423	1.7
559.25873	2.1
710.38904	1.3
711.38995	5.4
815.49854	83.2
816.50140	21.4
816.65137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.98827	100.0
62.98538	0.1
63.96200	0.1
71.01389	0.4
71.56963	0.1
75.00883	0.1
78.98599	0.1
79.95733	0.5
80.96512	2.9
84.48045	0.1
85.02980	0.2
87.00863	0.1
89.02448	0.2
94.98083	0.5
95.04929	0.1
95.08273	0.1
96.96029	0.2
101.02457	0.3
104.21671	0.1
122.97641	0.1
125.02480	0.2
131.96585	0.1
134.48421	0.1
134.97612	0.1
137.97615	0.1
141.01695	3.5
148.99156	0.1
149.28525	0.1
152.98596	0.2
164.98630	0.4
197.11908	0.1
207.10202	0.1
209.11948	0.2
225.00688	0.6
253.09360	0.2
273.17099	0.1
277.21735	0.2
359.21936	0.2
397.13416	0.8
415.14264	0.1
419.11633	0.1
437.12817	0.2
507.88977	0.1
697.34387	0.2
815.50146	0.7
816.50250	2.5
817.37445	0.3
817.50323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98825	100.0
62.98527	0.2
71.01382	0.6
73.02928	0.1
78.98602	0.4
79.95725	0.7
80.96508	4.2
82.96108	0.2
83.04992	0.1
83.85860	0.1
85.05103	0.1
87.00880	0.2
94.79827	0.1
94.98067	0.8
96.96012	0.3
97.02930	0.1
98.20690	0.1
98.96307	0.1
101.02457	0.2
106.98090	0.2
122.97568	0.1
125.02444	0.2
134.97559	0.3
141.01677	0.1
148.99141	0.3
152.98625	0.4
164.98589	0.4
206.99716	0.1
209.11847	0.5
210.12131	0.2
225.00722	0.8
252.49548	0.1
278.32126	0.1
301.68442	0.1
815.50159	0.5
816.50165	3.1
817.50116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98826	100.0
71.01388	1.0
71.59512	0.3
73.02936	0.2
78.98593	0.6
79.95742	1.3
80.96510	6.6
82.80283	0.2
85.02969	0.3
87.00856	0.2
92.30847	0.2
94.98072	1.7
96.96027	0.5
97.03015	0.2
100.71832	0.2
101.02453	0.3
113.02431	0.3
122.97596	0.4
125.02477	0.3
134.97604	0.5
136.52583	0.2
141.01642	0.2
148.99181	0.4
152.98653	0.6
154.58798	0.2
164.98630	0.9
171.10237	0.4
172.10419	0.2
207.10289	0.4
209.11827	0.8
210.12234	0.4
211.13321	0.3
225.00743	1.1
225.11458	0.2
226.01089	0.2
311.22177	0.3
353.90851	0.2
815.49249	1.1
816.50232	5.0
816.65167	0.3
817.36865	0.3
817.50262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.00570	2.8
59.01099	1.7
59.01374	29.9
61.98828	7.2
68.94131	1.3
69.23151	6.1
69.23582	8.4
71.01377	38.4
72.99275	2.2
73.02931	4.8
74.12836	1.3
75.00864	9.2
78.98548	2.4
79.95715	13.0
80.96513	19.6
82.96099	3.3
83.01344	5.2
85.02940	14.2
87.00848	6.7
89.02445	17.3
94.98042	3.9
95.01337	5.4
96.96001	18.0
97.02924	3.2
98.19808	3.3
98.95535	2.7
99.00863	9.5
101.02431	25.0
101.56709	1.8
109.06548	2.9
113.02452	15.3
119.03456	2.9
123.25224	1.4
125.02433	2.8
131.03409	1.7
134.97467	1.8
139.00224	1.5
148.99039	1.6
161.04512	3.7
163.11206	1.6
164.98546	2.1
181.12279	1.9
196.47701	4.0
203.98842	3.9
207.10237	7.0
211.13306	7.1
225.00728	3.2
225.11227	6.9
243.96712	13.3
244.46896	2.8
312.99759	3.0
368.50479	1.5
397.13419	3.5
549.72125	1.4
779.42139	54.4
780.42462	13.1
781.47131	68.5
782.47876	15.4
799.36969	4.8
816.49542	3.1
817.45074	100.0
818.45581	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98824	100.0
62.98524	0.2
65.20223	0.1
70.03175	0.2
70.03593	0.2
71.01396	0.2
73.45319	0.1
78.98613	0.1
80.96507	0.6
85.02924	0.1
94.98103	0.2
96.96015	0.5
98.73231	0.1
104.22108	0.1
113.02500	0.1
138.50496	0.1
197.11771	0.2
209.11800	0.2
210.12187	0.1
211.02362	0.1
211.13336	0.2
217.82025	0.1
225.00743	0.1
243.93594	0.1
298.49469	0.1
313.10516	0.1
432.66843	0.1
578.98163	0.1
780.45770	0.2
817.51251	0.2
818.51477	0.4
819.53955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.1
61.98827	100.0
62.98521	0.1
62.99234	0.1
68.42699	0.1
69.74802	0.4
71.01387	0.2
80.96528	0.3
96.96027	0.2
98.20575	0.1
109.23695	0.1
164.98605	0.1
197.11906	0.1
208.10696	0.1
209.11917	0.3
210.12115	0.2
211.13403	0.1
239.61292	0.1
309.20773	0.1
326.47577	0.1
356.31741	0.1
440.78677	0.1
677.23425	0.1
817.51343	0.1
818.50348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38146	0.1
61.56020	0.1
61.98827	100.0
62.98534	0.1
63.99260	0.3
71.01392	0.1
71.58212	0.2
78.91893	0.2
79.95749	0.1
80.96501	0.2
96.96037	0.3
160.98807	0.1
209.11913	0.2
239.12827	0.1
714.91541	0.1
818.51099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98826	100.0
62.98530	0.2
64.12971	0.1
66.47347	0.1
70.72971	0.2
71.01387	0.2
78.98618	0.1
79.95733	0.2
80.96510	1.2
82.92533	0.1
82.96116	0.1
86.13953	0.1
87.00914	0.1
94.98064	0.1
96.96017	0.3
122.97601	0.1
128.15158	0.1
132.87785	0.1
148.99139	0.2
152.98616	0.1
163.11104	0.1
164.98622	0.2
181.12158	0.1
191.00237	0.1
209.11852	0.5
210.12216	0.2
211.44954	0.1
225.00772	0.3
243.46600	0.1
253.09271	0.1
277.21826	0.3
278.22095	0.3
279.22659	0.1
289.18094	0.2
293.21295	0.2
307.19186	0.2
464.09872	0.1
511.83133	0.1
724.54364	0.1
741.17273	0.1
818.50238	0.1
819.41833	1.4
819.55450	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98830	100.0
71.01391	1.8
71.57767	0.6
75.00874	0.6
78.64149	0.6
78.95925	0.6
80.96490	1.4
82.06617	1.4
86.74230	0.6
87.05640	2.5
96.96011	1.3
112.07687	1.6
118.06592	0.7
121.04105	0.9
127.08858	0.7
129.10341	10.6
130.08716	1.0
139.08794	1.7
140.07185	2.4
140.10759	0.6
146.06125	1.6
153.10390	0.7
155.08276	2.3
155.11934	1.0
164.09566	1.6
165.10327	2.8
167.08295	0.8
182.13000	1.9
183.11436	0.7
197.11938	2.0
197.16649	2.0
198.12271	0.9
200.14020	2.8
207.10243	0.7
207.15024	9.5
224.17590	3.5
225.11525	0.7
225.16176	2.4
226.12013	0.6
241.13467	1.4
242.12000	1.7
242.18739	7.3
243.19160	0.8
259.14536	2.2
268.16797	0.7
268.20404	0.9
277.21637	0.7
295.21313	4.1
300.99866	0.8
312.17197	1.2
313.22327	2.8
330.18326	1.0
337.26117	4.2
355.26935	3.4
389.25812	0.6
397.82532	0.5
464.57788	0.6
539.39545	1.3
556.35321	0.6
573.37799	0.8
613.78119	0.7
615.43134	0.8
782.51825	61.5
783.52057	16.3
818.49768	8.6
819.50940	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	819.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98841	0.6
64.77032	0.1
69.30054	0.9
71.01379	0.5
78.95908	0.5
79.95734	3.7
83.05022	0.1
85.02934	0.1
85.48926	0.1
87.00836	0.1
89.02430	0.4
96.96005	100.0
97.95926	0.5
101.02445	0.3
113.02428	0.2
125.02402	0.2
131.68611	0.1
146.61180	0.1
156.82550	0.1
209.11795	1.9
211.13356	1.2
212.13542	0.1
218.50854	0.1
227.12883	0.2
338.48672	0.1
366.82950	0.1
397.13510	0.7
398.90375	0.1
513.40491	0.1
547.02612	0.1
819.36896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
58.00594	1.3
59.01377	17.6
61.98822	1.8
66.37852	0.5
67.27106	0.5
69.03462	1.6
71.01380	16.4
71.16751	1.0
72.99300	1.3
73.02950	3.0
75.00906	0.7
79.95728	1.4
80.02663	1.7
80.96526	2.2
81.03453	2.1
82.95419	4.9
83.01394	2.2
83.05019	6.3
84.02152	0.8
85.02945	4.4
87.00882	4.6
89.02441	16.7
94.98093	0.7
95.01400	0.6
95.04984	0.5
96.96009	9.3
97.02953	2.6
97.81646	0.5
98.95596	0.5
99.00877	1.1
101.02437	13.6
109.06613	0.5
113.02451	7.6
113.67213	0.5
119.03509	4.4
125.02433	6.2
125.06106	0.6
133.02582	0.5
139.04015	0.8
140.83871	0.5
143.03525	2.4
151.55408	0.5
161.04572	3.5
163.11261	4.5
165.12820	3.2
166.82089	0.5
171.10257	0.6
179.05588	4.7
181.12306	0.8
183.13901	6.4
191.10735	0.9
193.12338	2.0
199.06020	0.6
209.11810	100.0
210.12143	6.1
211.13373	91.1
212.13707	5.7
217.07118	0.8
221.06659	1.2
225.00786	1.0
227.12874	17.6
228.13193	1.2
235.08148	4.9
251.48848	0.5
253.09106	1.0
259.08276	0.7
287.07727	1.7
300.99451	0.5
305.08762	2.0
323.09705	1.7
328.13123	0.5
328.17105	0.6
379.12405	6.8
397.13477	41.4
398.13943	2.8
415.14499	9.1
415.19772	0.8
416.14954	0.6
589.25171	0.9
591.26825	2.5
594.07434	0.5
600.74762	0.5
607.26099	2.1
609.27789	4.9
610.28180	0.7
710.35114	0.6
783.37256	0.9
819.51422	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	821.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98827	100.0
71.01379	11.6
78.95868	2.5
79.90747	1.5
79.95736	2.7
80.91686	2.0
80.96517	3.8
82.95408	9.4
85.02944	1.6
96.96009	3.6
97.39651	1.5
98.20677	2.8
101.02449	2.7
109.06560	6.8
113.06062	2.3
134.20163	1.7
147.81587	1.4
163.11224	5.5
169.01373	1.7
171.10281	4.2
199.09731	3.3
205.08665	1.9
207.10211	15.0
209.11827	13.0
219.57832	1.5
223.09714	2.7
225.11267	11.0
227.12813	2.2
233.11546	2.1
235.08182	3.7
239.97964	1.6
243.79221	1.6
253.09230	2.8
271.05054	1.7
276.67731	1.6
280.93759	1.6
300.99783	4.9
311.01990	1.6
351.82715	1.7
400.07535	1.7
423.45831	1.6
448.00970	1.7
461.20236	3.2
550.45612	1.7
607.27307	3.3
625.28571	2.9
643.29742	3.2
651.28564	1.6
669.31342	4.5
670.31763	2.6
799.78522	2.3
821.36676	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	821.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01102	1.3
59.01377	18.3
61.98824	2.6
68.99544	1.9
69.03429	1.4
71.01377	14.8
72.99303	2.3
73.02924	3.5
75.00874	1.7
80.02647	1.6
81.03455	1.2
83.01361	1.7
83.05006	3.2
85.02949	4.9
87.00868	4.0
89.02443	11.2
93.03439	0.8
95.01368	1.7
95.05033	1.4
96.96005	14.0
97.02918	2.3
97.06573	3.8
99.00877	1.1
101.02439	11.4
112.98539	3.5
113.02441	5.3
114.93394	3.3
115.00327	2.0
119.03497	2.0
123.15250	0.8
125.02445	2.9
125.09720	1.1
131.03477	1.1
137.02455	1.2
143.03476	1.2
147.02963	2.4
151.11288	11.7
161.04489	1.7
163.11234	2.4
165.12872	1.9
169.12329	65.6
170.12621	3.6
179.05539	1.3
195.10234	1.1
209.11815	46.7
210.12103	3.4
213.11311	10.9
221.06595	3.9
227.12865	3.2
235.08118	1.9
308.40182	1.0
397.13342	3.1
415.14456	1.8
611.25409	1.7
803.37122	1.3
821.38062	100.0
822.38391	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	821.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88216	0.1
61.98817	0.9
71.01360	0.1
78.95894	0.8
79.95728	4.0
80.96514	0.4
93.12266	0.1
94.98084	0.3
95.97567	0.2
96.96002	100.0
97.95948	0.2
101.02425	0.1
138.17564	0.1
156.45570	0.1
195.13875	0.1
197.11830	0.2
209.11768	0.3
225.00703	0.1
253.09236	0.2
277.21692	0.2
291.19598	0.2
293.21213	0.5
308.34695	0.1
309.20764	0.3
519.12195	0.1
595.35132	0.1
699.29181	0.1
738.65393	0.1
821.41888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85068	0.1
61.98822	0.6
71.01392	0.2
71.60516	0.2
72.48980	0.1
78.01441	0.1
78.95889	0.7
79.95267	0.2
79.95733	3.9
80.96515	0.5
94.98087	0.3
96.96005	100.0
97.95945	0.3
209.11798	0.5
231.45811	0.1
241.14523	0.2
277.21750	0.4
279.23227	0.3
291.19690	0.2
293.21228	0.1
309.20718	0.1
513.46136	0.1
729.44543	0.2
747.46082	0.2
821.42261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
58.00593	1.0
59.01376	39.3
60.01722	0.3
61.98830	0.8
67.01897	0.9
68.99813	2.4
69.03457	0.9
70.89942	0.3
70.90290	0.4
71.01376	26.9
72.99307	2.2
73.02943	6.4
75.00870	14.3
78.15766	0.2
80.96519	0.3
81.03482	0.4
83.01382	5.8
83.63690	0.2
84.02136	0.3
85.02945	17.0
85.53372	0.2
87.00879	2.6
89.02442	7.9
93.03452	0.3
95.01383	6.2
96.96011	2.3
97.02940	1.2
97.06571	0.4
99.00874	14.3
99.04547	0.2
100.01195	0.3
101.02438	14.3
102.83690	0.2
109.02943	0.4
109.06604	0.5
111.00876	1.4
112.01673	0.7
113.02444	20.3
115.00376	0.6
119.03490	1.5
122.27306	0.2
125.02428	0.7
129.01898	0.6
131.03511	1.0
137.02428	0.4
139.00368	0.9
143.03476	1.1
149.04465	0.3
157.01424	1.0
161.04541	2.4
163.11327	0.3
169.12376	0.2
184.48918	0.2
207.10196	1.4
209.11844	1.4
211.13390	0.6
225.11374	0.8
405.27817	0.3
407.29462	0.3
421.30988	0.8
423.32889	0.3
439.32053	3.2
440.32367	0.5
441.33627	1.4
461.20242	0.4
463.23212	0.3
509.36063	1.5
510.36270	0.3
599.35504	1.1
601.54919	0.3
651.30640	0.5
669.30902	0.4
717.42346	1.9
753.67615	0.3
761.41382	0.8
779.42126	2.1
780.42029	0.3
821.43182	100.0
822.43506	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	821.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.00579	0.5
59.01376	36.9
60.01694	0.4
61.98817	1.2
67.01874	0.6
68.99818	2.1
69.03445	1.1
71.01376	27.9
72.01717	0.4
72.99299	1.8
73.02944	16.9
75.00869	13.6
79.95743	0.4
80.96493	0.9
81.03463	0.5
83.01381	6.0
84.02155	0.4
85.02946	11.2
87.00877	2.8
89.02442	6.2
95.01381	4.3
96.96022	1.8
97.02919	1.2
99.00874	13.6
100.01215	0.4
101.02435	14.1
111.00883	7.3
112.01660	0.6
113.02439	9.6
115.00385	0.6
119.03474	0.6
125.02443	0.6
129.01991	0.7
131.03455	0.6
137.02441	0.4
139.00343	0.5
143.03456	0.9
155.03522	0.4
157.01372	1.1
161.04500	2.3
173.00883	0.9
209.11748	0.6
219.34065	0.3
221.06596	0.3
225.11221	0.5
421.31055	0.7
423.28491	0.5
439.32047	3.1
440.32239	0.7
441.33533	0.9
509.36212	1.6
599.35809	0.6
605.39880	0.4
687.39178	0.4
710.03448	0.4
717.42822	0.5
761.40686	0.6
779.43085	0.5
821.43176	100.0
822.43475	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	823.388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.1
61.98817	4.4
66.95938	1.0
70.73263	2.6
71.01378	28.9
73.02919	1.4
78.95911	1.5
80.91687	1.1
81.03445	1.4
82.95409	21.6
83.05031	3.2
85.02887	1.3
87.00859	1.5
89.02433	1.3
96.95979	2.2
101.02444	4.2
109.06593	4.8
113.02450	1.7
113.06091	3.0
125.09663	2.1
135.08130	1.9
163.11241	3.9
165.12735	1.5
171.10268	7.0
185.11853	1.2
199.09735	11.3
201.11270	4.1
207.10271	14.5
209.11812	100.0
210.12137	5.4
211.13319	2.1
215.12749	1.2
225.11290	12.7
227.10730	1.7
227.12885	23.7
228.13046	1.8
235.08186	4.7
241.14438	1.4
253.09293	12.1
279.15887	1.6
435.18335	2.9
445.20679	2.5
461.20236	3.8
542.51794	1.1
584.16534	1.2
609.29492	3.4
627.29889	3.6
635.30896	2.1
645.30994	1.3
653.30145	7.3
671.33002	5.2
672.33289	2.9
751.77588	1.4
823.38574	13.8
824.39069	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	823.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	20.7
59.59155	5.6
61.98836	38.8
65.92348	5.3
70.68957	6.3
70.69275	12.4
71.01386	27.4
71.81905	5.4
78.95917	9.3
80.96496	9.6
85.02936	6.9
89.02454	13.2
96.95997	24.6
97.02752	5.9
101.02449	7.9
109.06607	6.4
113.02467	6.6
115.69329	5.8
125.09711	5.5
143.42812	5.8
171.10248	18.4
197.11807	21.1
199.09779	11.6
207.10246	17.3
209.11804	100.0
211.13354	7.1
225.11380	14.1
227.12848	15.9
235.08208	14.2
253.09219	17.2
253.52402	7.0
289.17999	7.6
291.19388	10.0
295.57751	6.8
307.19266	11.2
309.20724	33.5
445.20792	9.0
527.27856	6.3
823.41882	48.1
824.42987	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	823.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14791	1.2
59.01107	2.1
59.01379	25.2
61.98820	3.5
69.03439	1.6
71.01002	1.8
71.01377	27.2
72.03596	1.4
73.02930	5.7
75.00851	2.9
81.03469	2.5
83.01385	6.8
83.05012	3.2
85.02952	11.1
87.00865	2.4
89.02451	8.8
95.01361	3.0
96.96017	8.6
97.02898	2.5
97.06570	2.8
99.00838	4.1
101.02425	16.3
101.26045	1.4
109.06570	5.8
110.41414	1.4
111.00837	1.9
113.02462	12.0
116.92829	3.0
119.03474	3.1
121.02914	2.1
125.02418	2.8
125.09692	2.6
125.47047	1.5
143.03419	3.2
147.14102	1.4
153.09206	1.8
161.04489	6.0
163.11256	3.8
168.90594	1.7
169.08650	1.6
171.10234	8.4
178.76128	1.5
185.11777	2.8
195.06662	1.6
197.11783	2.1
201.11305	3.0
207.10338	12.0
209.11810	100.0
210.12131	5.7
211.13335	3.4
225.11279	7.8
225.14864	3.2
227.12866	19.4
235.08144	7.6
253.09305	17.3
287.16422	1.6
289.17938	2.0
299.65656	1.5
305.17612	10.1
306.13733	1.6
307.18930	6.8
323.18512	2.7
325.20132	3.1
341.23282	55.2
342.23639	6.6
345.71420	1.5
367.40176	1.5
445.20480	5.9
461.20386	3.1
533.34729	3.6
541.26459	2.8
559.30817	2.5
577.31940	6.4
700.33246	2.4
751.39667	2.2
763.44678	5.6
769.41937	2.9
781.47253	29.5
782.47540	6.5
823.42950	52.9
824.43451	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	823.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	27.6
60.95750	1.6
61.98817	6.3
68.99831	2.2
71.01378	31.8
71.60185	1.4
71.60593	1.8
72.03661	1.4
72.99284	3.9
73.02949	3.4
75.00876	9.6
83.01382	3.1
83.05017	2.1
85.02937	9.6
87.00874	3.5
89.02439	11.4
95.01377	3.7
95.05031	1.8
96.96012	8.3
97.06583	2.1
99.00867	11.7
101.02433	13.0
109.06537	2.8
111.59576	1.6
113.02420	8.1
114.51713	1.5
116.92878	3.6
119.03540	2.2
121.02944	4.5
125.02399	1.8
144.19859	1.5
161.04565	2.5
163.11191	1.7
165.01936	4.5
168.74548	1.5
171.10245	4.2
197.11824	2.5
201.11444	1.8
207.10216	6.2
209.11807	65.9
210.12175	4.0
211.13350	3.4
223.09776	2.4
225.11368	4.1
225.14949	3.6
227.12866	15.8
235.08171	7.1
253.09235	13.5
296.41318	1.5
305.17511	2.3
325.20084	3.3
341.23254	51.6
342.23672	4.3
384.17529	1.8
445.20660	6.0
446.21283	2.4
505.42090	1.8
533.35089	3.3
577.32031	3.8
599.07715	1.8
669.30432	1.8
744.33423	1.9
769.42200	2.4
823.42920	100.0
824.43048	24.4
838.78754	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	823.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96226	2.1
69.03427	0.7
69.87479	0.9
71.01378	9.1
73.02940	2.6
78.98586	8.0
79.95735	15.6
80.96513	86.7
85.02950	3.0
87.00870	2.6
94.86414	0.8
94.98084	20.0
96.96010	2.2
97.02943	1.7
98.19864	1.8
101.02429	2.9
106.98077	3.3
109.17206	0.8
122.97601	4.0
125.02416	2.6
134.97563	6.9
136.99138	1.9
148.99147	7.5
150.95999	0.9
152.98611	6.8
162.45636	0.8
164.98610	13.1
176.64383	0.9
186.34430	0.8
188.98630	1.0
196.89378	1.2
206.99646	4.0
209.11830	2.5
225.00728	22.5
250.35506	0.9
281.24887	1.5
541.19244	1.7
563.28943	1.2
616.35004	0.9
823.45142	100.0
824.45319	22.3
836.23816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.3
59.01378	27.0
67.01857	0.4
68.99805	0.3
69.03436	0.3
71.01379	20.5
71.59020	0.6
72.44233	0.3
72.99320	2.4
73.02946	0.7
79.01897	0.6
83.01385	2.2
85.02943	4.0
85.03767	0.3
87.00871	0.9
89.02439	20.9
95.01389	2.5
96.96011	1.3
97.02972	0.7
101.02438	14.3
102.98584	1.2
107.01367	2.7
109.02975	0.6
111.00890	1.1
113.01695	0.7
113.02441	7.7
119.03497	7.7
119.77735	0.3
120.99657	0.4
123.00875	6.3
124.01666	8.8
125.02448	15.0
126.02754	0.7
127.00312	0.6
131.03476	0.6
136.98798	0.6
137.02417	0.8
138.03246	0.5
139.00404	2.3
139.04001	2.3
140.01152	1.5
141.01967	0.4
143.03490	0.5
147.04514	1.3
147.08180	0.8
149.04553	0.4
151.00352	3.5
151.04018	0.5
153.01880	0.6
159.38969	0.3
161.04489	0.5
168.00612	3.4
168.94284	0.3
169.01419	16.7
170.01718	0.5
179.03589	0.5
179.05577	0.9
183.02966	2.8
211.02409	0.5
225.04102	0.5
227.68861	0.3
253.03653	0.4
285.06110	1.3
297.06091	0.8
300.99744	1.0
313.05615	5.3
327.07172	1.7
327.10895	1.5
362.18103	0.4
371.13422	100.0
372.13837	8.5
452.09354	0.4
453.10342	65.5
454.10745	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	825.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84864	0.3
69.51938	1.9
69.80381	0.2
71.01337	0.4
79.95734	11.0
80.96524	0.5
96.96004	4.1
98.20581	0.6
109.02909	0.3
121.02983	1.8
125.02435	0.7
125.73604	0.3
133.05347	0.3
135.04507	0.5
137.02441	0.4
145.02933	0.6
147.04457	0.8
159.04437	0.4
165.01906	0.3
167.94412	0.3
178.75804	0.3
192.07837	0.5
217.05136	0.3
240.04324	0.5
251.07129	0.4
253.08720	0.4
255.10228	1.1
269.08170	13.9
270.08472	0.8
270.12531	0.3
271.09680	0.6
281.05487	0.4
281.08112	1.8
283.09686	4.3
284.10068	0.5
291.12723	2.4
295.09756	1.0
296.10501	0.5
298.12094	0.6
299.09216	9.0
300.09628	0.5
310.12067	0.5
311.09253	11.9
311.12662	0.5
312.09601	1.2
313.10852	0.4
314.11569	18.5
315.11826	1.5
325.10736	2.2
326.11545	10.8
327.11911	1.1
329.13907	38.7
330.14246	3.4
341.13901	13.1
342.14194	1.0
401.57043	0.3
409.09708	2.5
425.08682	0.3
439.10635	100.0
440.10928	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	825.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68551	0.6
71.40183	0.1
76.85403	0.1
79.95284	0.3
79.95733	4.4
95.95200	0.9
96.96006	100.0
97.95945	0.5
98.95591	2.4
98.96418	0.4
122.97606	0.2
123.04516	0.1
133.31599	0.1
138.05560	0.1
152.08347	0.1
219.68842	0.1
305.10611	77.6
306.10928	7.9
306.14514	0.3
307.12225	70.9
308.12576	4.6
308.16098	0.2
334.90201	0.2
439.10788	0.2
508.56403	0.2
536.62067	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35702	1.5
58.17320	1.3
59.01374	10.5
61.98825	3.3
70.37851	1.4
71.01378	21.8
73.02930	1.6
80.02682	1.9
81.03438	1.7
83.01425	1.7
83.05007	5.3
85.02936	6.1
87.00850	2.3
88.98763	2.8
89.02413	5.7
96.96001	9.5
97.02939	2.3
97.06538	2.1
99.00874	2.9
101.02444	4.4
104.72041	1.6
109.06568	8.8
113.02421	4.9
119.03498	1.8
121.70100	1.6
125.02332	1.7
135.08128	1.7
136.63300	1.7
161.04568	3.9
163.11267	7.0
171.10222	15.2
188.04230	1.4
189.09151	1.6
198.70125	1.5
207.10229	32.9
209.11807	100.0
210.12117	6.3
211.13371	5.6
225.11302	19.8
226.11443	1.8
227.12837	26.5
229.14377	5.5
230.14827	1.7
235.08191	6.2
253.09236	19.8
299.96347	1.4
307.19113	3.3
309.20731	2.3
327.21756	55.9
328.22015	5.1
451.43170	1.8
461.20148	7.6
563.30920	1.7
565.72827	1.5
611.06036	1.6
771.41675	10.3
772.41992	4.6
818.56354	1.5
825.41272	11.1
826.42426	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	825.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.7
59.01377	23.7
61.56390	0.6
61.98812	2.7
63.37083	0.6
68.53503	0.7
69.03432	0.8
71.01379	31.9
71.29267	1.4
71.29624	0.9
72.01709	0.7
72.99294	2.7
73.02940	6.3
73.74593	0.7
74.66332	0.6
75.00854	0.9
79.10843	0.6
81.03445	0.7
83.01376	4.8
85.02448	1.3
85.02945	13.6
86.37914	0.7
87.00868	5.0
89.02441	13.0
95.01382	3.5
96.95998	1.9
97.02941	1.6
99.00877	4.0
101.02438	26.0
102.02840	0.8
109.06594	0.7
111.00851	0.9
113.02437	15.7
119.03480	2.6
120.48257	0.7
125.02428	2.6
131.03491	1.6
140.74670	0.6
143.03525	1.7
161.04549	7.4
163.11400	0.8
171.10283	3.9
171.11473	0.6
176.73703	0.7
179.05591	1.5
196.27779	0.7
197.11807	2.6
201.11226	1.1
206.32854	0.8
207.10231	2.5
209.11806	10.8
210.12106	2.1
211.13345	1.4
221.06602	2.0
225.11301	3.5
227.12764	2.2
235.08099	1.5
253.09209	2.3
309.20654	3.1
317.66174	0.7
325.20206	1.1
341.23242	2.4
349.41336	0.8
428.63461	0.8
441.33636	1.4
603.39178	0.8
753.42023	1.1
765.44232	100.0
766.44611	25.8
766.55847	0.4
825.42365	8.3
826.42938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76498	0.2
79.95287	0.2
79.95731	2.0
95.95261	0.5
96.96004	67.4
97.95934	0.2
98.95616	0.9
98.96252	0.1
116.20766	0.1
121.65745	0.1
128.98431	0.1
144.59860	0.1
199.50317	0.1
256.41623	0.1
305.10672	0.8
306.10913	0.6
307.12180	100.0
308.12506	8.0
309.11816	0.9
439.10608	0.1
509.09583	0.1
519.24091	0.1
821.45508	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
61.98832	0.8
71.01371	2.9
71.60829	1.6
72.99285	0.6
73.02913	1.2
75.00868	1.0
84.50827	0.7
85.02948	2.3
87.00863	2.1
88.98815	0.9
89.20805	0.6
90.47201	0.7
90.60970	0.7
91.29601	0.7
96.96019	4.9
97.06551	1.4
99.04491	3.1
99.64841	0.7
101.02424	2.6
113.02460	1.7
123.04510	0.7
123.08162	1.8
125.02448	2.0
127.11265	1.0
135.08160	1.8
137.09691	2.0
149.06046	3.1
150.06856	60.5
151.07344	2.5
157.08693	1.3
161.04533	1.3
161.09709	1.3
162.06859	1.8
163.07632	12.5
164.08423	13.2
165.09007	0.8
176.08411	1.7
177.09146	1.4
178.09959	2.7
179.10765	29.4
180.11028	1.1
184.11050	0.9
229.10822	1.3
306.18332	1.9
313.00061	1.4
320.19846	1.2
328.02316	1.0
341.23334	1.5
343.04657	1.4
343.21234	8.0
344.21088	0.8
364.22620	2.0
385.13193	0.7
408.76663	0.8
441.30267	1.1
462.29660	3.3
476.31213	1.5
477.32169	14.3
478.32443	2.1
505.31427	3.3
522.31964	5.7
523.32715	47.2
524.33038	6.8
667.37714	1.1
685.38007	24.4
686.38068	4.6
727.39044	16.2
728.39685	3.1
767.42017	5.1
768.42975	1.0
829.42297	100.0
830.42694	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	831.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.8
60.99308	0.9
64.09893	0.6
65.00326	1.0
69.93885	3.5
69.94245	1.2
71.01380	1.2
72.81750	0.6
83.01415	1.2
88.98812	2.8
96.96008	2.4
107.01391	4.8
108.02208	1.1
109.02927	1.6
121.02962	2.4
125.02412	0.8
135.00830	1.0
146.74792	0.7
148.01712	1.4
149.02461	1.0
151.00365	16.0
151.01566	1.0
161.04755	0.7
163.00395	3.0
164.01137	1.1
169.01468	1.0
172.35698	0.7
178.40779	0.7
178.99825	7.1
190.02660	0.8
190.91823	1.0
207.40302	0.7
211.04045	1.0
211.46376	0.7
215.03595	0.9
216.04251	0.8
226.02531	1.2
227.03456	2.4
229.04921	1.2
243.02971	9.8
245.04568	1.8
254.02232	2.6
255.02968	26.1
256.03458	2.7
271.02454	51.7
272.03162	4.8
273.04004	1.1
299.01932	1.1
300.02734	100.0
301.03452	49.1
302.03857	3.2
305.10574	2.6
305.13809	0.8
388.72977	0.8
439.07031	0.7
606.12903	0.7
741.18774	96.9
742.19153	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	831.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.6
59.01375	100.0
60.01725	0.7
63.32976	0.3
69.03455	0.7
69.52481	0.6
69.52887	1.6
71.01377	16.2
72.99308	0.8
73.02944	15.2
74.03273	0.3
75.00876	0.6
81.03461	0.4
83.01383	5.3
85.02951	3.4
87.00880	0.7
89.02438	7.2
93.03435	0.3
93.95986	0.3
95.01388	1.1
96.95995	1.9
97.02946	0.7
99.00875	0.4
101.02435	17.2
108.02190	0.4
109.02940	2.7
113.02442	7.5
114.02882	0.3
118.37621	0.3
119.03500	3.2
121.02975	1.0
122.03706	0.5
123.00862	0.4
123.04530	1.7
125.02412	1.6
131.03464	1.5
133.02992	0.7
134.92426	0.3
135.04532	0.4
137.02451	0.6
139.04048	0.5
143.03474	2.1
148.05264	0.5
149.02481	1.7
149.04538	3.9
149.05763	0.4
151.04016	1.2
161.02470	2.9
161.04543	6.8
161.05919	0.5
162.03271	0.5
163.03981	1.9
165.01848	0.4
168.04860	0.3
174.03268	0.6
175.03972	0.8
179.05638	1.4
188.04810	0.5
191.03494	0.4
202.02814	0.3
203.03566	0.6
203.05455	0.4
203.07158	0.5
205.05116	1.3
221.06680	2.1
227.07184	0.4
229.08592	0.4
231.03094	0.4
247.06192	0.6
270.05356	0.5
273.04688	0.3
285.07788	1.1
287.09274	0.9
289.07211	1.1
297.07803	0.4
325.07269	0.9
371.20624	2.4
372.20898	0.3
373.22629	1.2
415.23355	5.6
416.23859	0.5
437.12213	3.1
438.13126	0.5
449.12402	3.9
450.12744	0.6
467.13431	12.4
468.13889	1.5
548.55731	0.4
795.29669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.0
61.98807	1.5
71.01375	6.5
71.61648	1.4
71.68646	1.0
73.02934	1.9
75.00876	1.3
78.75469	1.1
79.95721	1.3
80.96535	1.1
81.39277	1.0
83.01339	1.4
85.02937	4.6
85.61768	0.9
87.00869	1.6
89.02435	2.1
93.03444	1.1
96.96008	19.0
98.95632	1.1
99.00846	1.8
99.04517	1.6
101.02435	4.3
107.74012	0.9
109.02983	1.2
111.04543	1.6
113.02454	2.8
113.06004	1.2
119.05046	1.1
121.02980	1.1
121.06518	1.0
123.04506	1.6
125.02429	3.1
135.08156	1.2
136.05278	1.1
137.02423	2.2
137.06090	1.2
145.02925	1.6
149.02402	2.8
149.06079	5.7
150.03236	5.9
150.06856	56.5
151.00383	1.7
151.07205	1.0
153.09190	1.6
161.04504	1.1
162.06848	4.6
163.07654	19.3
164.08406	9.4
165.01828	1.4
165.05528	7.2
165.09120	0.9
175.02464	1.1
176.08437	2.4
177.09158	2.1
178.09962	3.7
179.10759	17.1
195.06606	6.6
216.82118	0.9
246.27005	0.9
255.03111	1.3
263.20099	1.1
271.02682	1.0
271.06107	1.7
281.21133	1.1
285.04056	1.0
287.40131	1.1
300.02756	1.7
301.03381	2.2
327.08630	1.0
327.21753	5.0
345.22888	1.4
372.11975	1.2
387.14453	4.1
446.30365	4.8
460.31967	5.8
461.32745	12.8
462.33380	1.6
464.31369	2.2
474.30661	1.1
479.33691	5.5
487.30890	1.3
488.31436	3.7
489.32166	2.7
505.31519	1.2
506.32422	8.6
507.33243	20.5
508.33533	3.9
524.33704	2.7
525.34229	20.3
526.34723	2.8
583.21753	2.2
654.15100	1.2
669.18695	2.0
669.38092	6.8
687.39728	9.9
688.39996	1.8
729.40723	5.6
730.41724	1.7
769.43591	2.1
831.43890	100.0
832.44281	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	831.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.3
63.96234	2.7
64.48329	0.6
70.82967	0.9
70.83302	0.9
71.01381	9.8
73.02945	2.0
75.99860	0.6
78.95907	0.9
78.98589	7.2
79.95738	31.7
80.96515	100.0
81.03487	1.1
82.96085	1.4
85.02972	3.3
87.00867	3.1
88.03171	0.6
94.98081	20.6
94.98679	1.3
96.96003	2.1
97.02962	2.4
99.00877	0.7
101.02450	2.8
106.98088	4.9
110.82935	0.7
122.97581	8.0
125.02449	3.3
127.04031	0.9
134.97574	6.8
135.09235	0.6
136.99129	1.8
148.99127	7.1
152.98625	6.8
164.98624	13.2
179.00177	0.7
188.98495	0.7
192.61571	0.7
200.50668	0.6
206.99648	3.0
225.00732	18.9
255.23288	2.0
270.70782	0.6
283.04941	1.7
374.61163	0.6
450.62656	0.8
537.27374	1.3
575.24902	1.6
637.32654	0.8
831.49304	94.7
832.49713	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	831.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76169	0.3
58.03458	0.4
59.01376	0.9
61.98824	0.8
63.96212	1.8
67.01909	0.4
68.22768	0.4
69.03432	1.2
71.01382	9.5
72.99294	0.4
73.02943	2.2
78.50228	0.4
78.95905	4.1
78.98587	7.1
79.95037	0.6
79.95735	33.2
80.96515	95.0
81.03453	0.7
82.96101	1.4
83.01390	0.4
85.02945	4.1
87.00877	3.6
94.98083	21.0
95.01373	0.9
96.95997	1.4
96.96958	0.7
97.02932	1.8
97.52033	0.5
97.52716	0.3
98.20646	0.9
99.00862	0.4
101.02441	2.8
106.98087	4.3
122.97585	5.4
125.02460	3.7
127.03985	1.3
134.97572	5.8
136.99138	1.9
139.05333	0.3
148.99135	7.3
150.97115	0.5
152.98595	7.2
152.99605	0.7
161.04630	0.6
164.98624	14.2
167.00281	0.4
179.00270	0.5
182.99728	0.5
188.98627	0.5
206.99661	4.1
225.00729	20.4
226.01074	0.6
241.00998	1.4
255.23276	5.1
256.23602	0.5
277.21661	1.8
283.04868	2.9
341.05438	1.5
355.06845	1.2
496.01880	0.4
537.27533	2.2
553.27338	0.9
555.28534	0.4
575.25513	1.3
609.29248	1.2
623.31256	0.5
637.32330	0.9
679.38678	0.4
693.38977	1.0
704.50189	0.6
733.42462	0.8
762.42523	0.5
831.49298	100.0
832.49603	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	831.499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28266	6.0
61.98828	12.3
63.38003	6.3
78.95907	35.3
79.95737	25.5
80.96510	79.2
87.00886	10.1
94.98081	9.6
96.53664	6.3
96.96947	8.0
118.68958	6.8
122.97575	23.9
124.97091	10.0
152.98557	7.7
152.99626	8.6
164.98648	15.9
183.68871	6.8
199.54094	6.3
211.31880	8.6
223.00183	7.0
225.00673	9.1
241.01180	16.2
255.23337	33.5
263.62122	7.5
277.21649	18.7
310.71875	7.1
410.15686	7.0
485.30319	6.9
602.56445	6.6
620.25824	6.8
629.29181	7.4
831.49432	100.0
832.49652	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	832.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98827	100.0
71.01372	0.2
72.99315	0.2
78.95904	0.4
80.87029	0.1
80.96529	0.4
85.02940	0.2
88.98798	0.1
92.92780	0.7
96.96032	0.4
110.77468	0.1
136.71327	0.2
157.08867	0.1
209.11923	0.4
255.23541	0.1
279.23346	0.1
288.93622	0.1
300.99860	0.2
337.36697	0.2
445.67435	0.2
446.22705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.9
59.01377	24.9
59.01653	0.9
61.98795	1.0
68.99786	0.6
69.03416	2.0
70.92006	1.6
71.01377	20.4
72.99271	2.0
73.02957	3.6
79.95697	0.6
80.02674	2.9
81.03440	5.1
83.01341	2.1
83.04565	0.9
83.05015	10.7
84.02117	1.4
85.02944	6.2
87.00888	4.9
89.02440	17.6
93.03409	2.3
95.01351	2.0
95.05022	1.5
96.95972	1.9
97.02948	9.3
98.10519	0.6
99.00872	2.9
101.02444	13.0
107.05008	1.3
109.06586	24.5
110.03706	1.7
110.59197	0.6
111.04462	0.9
113.02451	7.4
119.03497	4.4
121.06531	2.2
122.14387	0.6
123.00774	0.6
123.04468	1.4
123.08130	0.7
125.02454	5.2
125.06055	1.1
125.09684	2.7
126.14643	0.7
131.03445	1.0
135.08197	4.6
136.05261	1.7
141.01935	1.0
142.02676	2.4
143.03481	1.9
143.64111	0.6
161.04553	3.3
161.09662	1.9
163.07639	0.8
163.11281	19.2
164.11688	1.0
165.09143	0.7
165.12827	3.5
171.10202	2.4
179.05595	4.1
179.10759	1.1
181.12337	4.1
185.11772	1.5
187.09645	1.1
189.09200	1.3
191.10707	1.4
207.10252	66.7
208.10645	3.6
209.11818	100.0
210.12131	4.3
217.12288	0.7
221.06664	2.6
221.11781	1.0
223.13248	1.0
225.11304	31.3
226.11583	1.1
227.12877	13.0
228.13155	0.7
235.08109	4.0
243.12401	1.1
245.11830	1.0
249.11304	1.6
251.12814	0.9
263.07910	1.2
263.12881	1.2
270.98776	3.2
287.07709	1.5
298.98291	4.1
299.99081	30.5
300.99625	2.0
305.08771	1.3
314.00696	2.9
315.01404	24.1
316.01889	2.2
373.24075	0.6
379.12704	2.2
397.13495	22.7
398.13739	1.5
399.21716	3.2
415.14545	9.4
415.19638	0.8
417.22800	5.4
432.69287	0.6
435.23944	1.0
605.24451	4.3
606.24963	0.9
607.26617	1.0
623.25629	5.8
761.60187	0.7
789.37469	0.9
797.35962	11.7
797.49365	1.0
798.36237	2.9
815.37036	17.2
816.37292	4.4
833.38226	30.3
834.38788	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	834.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
65.00308	2.1
65.50134	1.0
71.01372	1.4
83.01357	2.8
89.02394	1.0
91.16595	1.1
93.03455	1.3
96.95986	4.6
107.01376	5.0
108.02177	2.2
109.02917	1.5
121.02941	3.4
122.99944	1.0
125.02512	1.1
135.00832	1.0
137.02423	2.5
151.00346	20.3
152.00716	1.3
161.02408	1.1
163.00343	2.9
163.03931	1.0
164.01088	1.3
165.01945	1.3
167.71227	1.2
169.01416	1.2
178.99840	13.5
183.04355	1.0
199.56593	1.2
226.82281	1.1
227.03490	2.8
229.05016	1.5
243.03008	9.7
254.02196	2.7
255.02975	28.9
256.03116	1.3
271.02460	54.7
272.02942	4.4
279.18979	1.1
283.02466	1.8
300.02734	100.0
301.03464	54.9
302.03790	3.6
383.13525	2.6
392.87689	1.0
397.46286	1.0
412.34198	1.0
744.18329	1.1
771.19818	92.5
772.20184	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	834.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.1
60.90287	0.1
61.98826	100.0
62.98523	0.1
62.99255	0.1
70.42094	0.2
70.42459	0.2
71.33791	0.1
78.95901	0.1
81.06593	0.1
96.95995	0.2
209.11754	0.2
293.56436	0.1
336.10809	0.1
421.47076	0.1
494.99454	0.1
803.42810	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.4
59.01378	8.9
59.86545	0.1
67.68855	0.1
69.03445	0.5
70.45052	0.3
71.01380	7.9
71.05005	0.2
72.99323	0.7
73.02952	1.2
75.00865	0.2
80.02672	1.3
81.02995	0.1
81.03455	1.8
82.14027	0.1
83.01397	1.0
83.05023	5.8
84.02168	1.2
84.05367	0.2
85.02444	0.2
85.02940	2.0
86.00093	0.1
87.00868	1.9
87.04540	0.1
89.02439	7.5
90.02790	0.1
93.03434	0.3
95.01389	0.7
95.05028	0.9
96.96025	0.1
97.02940	1.1
97.06567	0.2
99.00886	0.6
99.04533	0.1
101.02439	6.3
102.02769	0.1
103.00371	0.1
106.04195	0.1
107.05008	0.1
107.94289	0.1
109.02946	0.1
109.06568	0.4
111.00891	0.2
111.04530	0.2
111.08184	0.1
113.02443	3.5
113.18191	0.1
115.03973	0.2
119.03500	1.9
121.02934	0.1
124.01704	0.1
125.02444	2.7
125.06113	0.6
125.09684	0.3
131.03511	0.4
133.05081	0.2
135.08157	0.9
137.02371	0.2
139.04007	0.3
139.07689	0.1
141.01932	0.2
143.03497	1.1
145.10248	0.1
147.11810	0.3
149.04547	0.1
161.04588	1.5
163.11282	4.5
164.11665	0.2
165.12836	2.6
166.13150	0.1
167.03516	0.2
171.10283	0.8
179.05594	2.2
181.12358	0.6
191.10803	1.1
199.06099	0.3
209.11809	100.0
210.12143	5.7
217.07172	0.4
221.06683	0.8
221.11845	0.2
223.13283	0.2
227.12869	14.0
228.13171	0.8
229.14592	0.1
235.08194	2.5
245.06522	0.3
245.66537	0.1
247.13373	0.6
251.12921	0.5
253.09178	0.4
259.08051	0.3
263.07709	0.2
265.14484	0.3
277.09467	0.1
287.07614	1.0
305.08728	0.9
323.09799	0.6
329.87546	0.1
329.92270	0.1
378.75714	0.1
379.12430	3.0
380.12723	0.2
397.13464	18.7
398.13797	1.5
401.23001	0.2
415.14529	5.6
416.14883	0.3
589.25061	0.5
607.26056	1.4
735.36530	0.1
779.43921	0.1
781.37140	0.1
799.37787	0.5
800.37512	0.1
817.38507	0.2
835.38824	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98827	100.0
64.96999	0.1
68.99566	1.0
71.01389	0.4
71.60533	0.2
79.95718	0.2
80.96507	0.5
85.02991	0.3
87.00837	0.1
96.96012	1.5
101.02454	0.2
110.41024	0.1
112.98560	1.3
121.02946	0.2
165.01971	0.2
209.11839	0.4
225.11401	0.1
283.51309	0.2
836.39771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.1
59.73891	0.1
61.98827	100.0
62.98543	0.1
80.96501	0.4
94.98089	0.1
119.66550	0.1
121.79539	0.1
125.98446	0.1
132.32332	0.1
144.02684	0.1
162.73657	0.1
164.98610	0.1
189.39551	0.1
277.21640	0.2
837.48438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27190	0.1
79.95737	3.8
96.96009	100.0
97.95947	0.3
107.02190	0.1
141.98744	0.1
178.99792	0.1
180.45638	0.1
192.67276	0.1
206.37839	0.1
255.02946	0.2
271.02481	0.4
300.02737	0.9
301.03354	0.4
305.10712	0.4
361.33411	0.1
382.89066	0.1
524.24219	0.1
622.76178	0.1
741.18921	1.2
742.19385	0.3
839.14899	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
67.53415	0.2
69.92961	0.3
69.93371	0.7
71.01385	0.5
79.95738	2.9
85.02915	0.2
89.02461	0.2
95.95237	1.3
96.96007	71.2
97.95923	0.2
101.02418	0.2
109.02985	0.3
116.31500	0.2
119.05054	0.5
123.04472	0.3
125.02415	0.4
137.02467	0.3
151.00357	0.2
188.04776	0.2
205.05090	0.2
243.96928	0.2
257.08459	0.4
270.76273	0.2
273.11597	1.2
289.06946	1.0
291.12738	0.3
300.96625	0.2
300.99805	0.4
317.11362	0.2
319.08820	0.2
343.57501	0.2
346.01736	0.2
382.06403	0.2
453.17953	100.0
454.18286	10.6
454.24832	0.4
676.35406	0.2
839.26477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
61.98828	15.3
63.94860	3.0
68.99557	9.9
71.01376	100.0
71.49450	4.1
73.02932	3.9
80.96522	3.6
81.03449	3.8
82.95413	59.0
83.05030	6.1
85.02930	5.3
89.02435	6.6
95.05025	4.9
96.96007	25.5
97.02925	9.6
97.06550	3.5
98.95587	3.4
101.02427	12.0
107.05038	3.1
109.06584	34.2
111.04554	2.8
112.98548	9.0
113.02454	5.8
119.03417	4.2
125.02296	3.1
125.09663	6.7
135.08151	7.0
136.05238	3.2
142.02664	2.6
160.27353	2.7
161.04575	2.7
161.09648	3.5
163.11285	18.7
165.01956	3.1
171.10262	20.5
181.12318	9.9
185.11714	5.4
197.11812	6.5
199.09715	4.7
201.11261	8.2
205.08696	8.4
207.10248	84.2
208.10431	3.6
209.11787	49.9
213.11238	2.9
215.12807	7.4
223.09764	21.2
225.11284	56.6
227.12798	8.7
235.08154	6.5
253.09311	17.7
291.19446	3.1
293.20987	5.4
461.20221	10.7
462.21057	3.8
594.70502	3.0
616.30280	5.8
625.28815	3.7
651.30573	5.5
703.24176	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.4
61.98829	32.6
70.69987	5.0
71.01355	28.3
79.95740	9.7
80.96503	17.3
81.00783	5.3
82.95412	9.4
83.05072	5.3
84.95119	9.8
96.96013	22.2
101.02418	8.6
113.02409	8.1
114.74179	5.4
123.94313	6.2
130.16544	5.8
140.95428	4.8
148.89351	5.0
171.10245	19.2
197.11856	10.7
199.09729	6.8
202.29044	5.0
207.10237	21.9
209.11794	100.0
210.12149	9.7
225.00555	6.7
225.11377	31.3
227.12856	22.6
235.08168	7.7
253.09305	13.0
289.18137	26.1
291.19458	7.1
307.19104	34.1
309.20670	23.6
318.58209	7.6
461.20630	5.5
492.30066	6.2
509.01889	5.8
771.41772	10.2
839.42126	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	12.6
61.69326	2.7
61.98825	20.5
69.56284	22.2
71.01386	30.7
73.02936	3.3
73.83672	3.2
80.96505	7.3
82.95408	3.9
83.05018	4.8
85.02944	5.6
89.02438	7.3
92.89822	3.0
96.96014	26.2
97.06561	8.6
98.20573	6.2
101.02460	15.9
109.06609	15.4
111.32165	2.8
113.02438	7.6
121.02921	4.1
125.02473	4.4
125.09740	5.1
161.04504	4.9
163.03458	3.2
163.11276	15.3
171.10254	12.3
171.11916	2.8
193.12267	5.4
197.11734	2.8
201.11282	4.9
207.10233	56.6
209.11813	100.0
210.12105	6.2
211.13412	5.8
223.13158	2.8
225.11333	30.7
225.14896	10.5
226.11942	4.9
227.12856	22.7
235.08188	10.4
241.12169	6.0
241.14418	59.4
243.15945	6.8
253.09277	32.5
291.19464	4.3
321.20715	8.2
334.69406	3.0
341.23300	95.9
342.23621	8.5
408.36655	4.7
445.20450	3.9
461.20142	12.0
477.23441	3.3
577.32025	4.5
578.33618	3.4
610.06458	3.7
785.42908	19.3
786.43805	4.7
839.41559	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	839.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	11.5
61.98833	9.0
65.92242	1.7
68.46954	1.6
69.03474	1.7
71.01382	31.1
71.57832	1.8
72.95389	1.6
72.99281	1.6
73.02908	2.2
78.95889	1.8
79.95732	2.0
80.96505	4.5
81.03455	4.0
81.41456	1.8
83.01393	4.1
83.05006	4.1
85.02940	6.6
86.26005	1.7
87.00874	2.8
89.02431	7.0
95.05055	2.5
96.95974	10.5
97.02964	5.1
97.06563	5.0
99.00867	4.4
101.02430	10.1
107.04974	1.9
108.24068	1.8
109.06564	15.4
113.02447	6.9
119.03513	2.6
121.02987	3.1
121.06543	2.3
125.02368	1.8
125.06055	3.3
125.09689	6.3
132.53386	1.8
143.03519	2.8
161.04546	4.1
163.11285	12.8
169.08641	5.0
171.10197	11.5
177.02068	1.6
181.12378	3.6
185.11752	3.3
191.10713	5.8
193.12288	4.1
197.06044	1.7
197.11757	3.3
199.09662	2.0
201.11263	4.8
201.32275	2.1
205.44527	1.6
207.10242	42.3
208.10532	2.1
209.11806	100.0
210.12086	5.7
211.13435	3.2
223.13293	2.7
225.11307	25.3
225.14857	6.9
226.11888	2.5
227.12885	22.0
228.13100	2.0
235.08232	8.3
239.12810	1.9
241.14441	59.1
242.14755	2.1
253.09288	23.9
305.17584	2.8
321.20648	6.1
341.23273	57.3
342.23679	5.4
428.28333	1.7
461.20206	6.9
471.34677	2.0
474.60477	1.7
785.43140	11.8
786.44293	5.2
839.40405	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	839.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	2.6
59.01377	31.0
61.98826	10.7
71.01380	33.9
71.60074	2.0
72.99310	2.3
73.02953	7.6
79.95722	2.7
80.96507	5.1
83.01382	7.2
85.02940	15.1
87.00867	6.6
88.98801	9.4
89.02446	15.1
95.01344	2.8
96.96011	10.6
97.02928	1.9
99.00900	3.8
101.02437	30.3
113.02449	16.3
119.03461	2.1
131.03441	2.0
143.03441	2.8
160.54276	1.4
161.04532	7.7
171.10287	3.4
207.10240	3.6
209.11790	11.6
212.80109	1.8
221.06679	2.4
225.11292	3.3
227.12842	2.9
241.14555	2.2
253.09290	3.7
424.96533	1.5
442.36517	1.6
502.03870	1.8
602.31458	1.6
779.45795	100.0
780.46075	26.1
839.40802	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	841.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
61.98819	1.8
63.02387	1.1
69.03441	0.6
71.01379	3.7
72.99297	0.9
73.02946	1.0
75.00852	1.3
80.48785	0.5
80.96519	0.9
83.01379	1.8
83.05061	0.6
84.39507	0.4
84.84438	0.6
85.02942	2.2
87.00867	0.8
89.02436	1.2
93.03461	2.7
95.01382	1.1
96.95985	5.5
99.00883	1.3
99.35510	0.5
101.02417	2.1
107.01397	2.9
109.02941	1.4
110.66387	0.5
113.02444	1.9
117.03480	3.7
119.05002	2.3
120.01155	0.5
122.03671	0.7
123.04488	0.8
124.99741	0.5
125.02407	2.2
135.00914	0.9
137.02432	1.2
145.02936	12.9
149.02368	1.2
150.03175	2.1
151.00348	4.8
151.03897	0.5
154.04202	0.6
157.06578	1.3
159.04448	1.7
161.04556	1.0
163.00349	2.4
163.03998	2.2
165.01903	2.4
165.05542	1.7
169.01422	0.9
171.04543	0.6
171.10210	1.0
179.03505	0.8
179.10837	0.6
180.04210	1.0
181.05026	0.8
183.04517	1.1
185.05994	2.5
187.03972	2.6
189.05560	0.9
195.04659	0.9
195.06593	2.3
197.06093	0.7
199.03975	1.0
199.77769	0.6
201.05455	0.6
204.90805	0.6
206.72672	0.5
211.03978	1.9
213.05537	2.1
225.07651	0.7
227.03435	5.7
229.05008	9.3
230.05222	0.6
230.63957	0.5
239.03462	0.7
241.05005	1.5
243.02950	0.6
255.02945	8.6
256.03625	2.3
257.04517	6.2
267.02927	1.4
267.07101	0.6
284.03250	8.0
285.04016	100.0
286.04379	8.1
289.07202	0.9
307.08194	1.2
370.78345	0.6
451.12866	0.5
474.03452	0.5
497.85495	0.7
511.14462	0.7
651.15637	5.2
652.16449	0.6
679.25751	1.4
781.44702	0.8
797.19476	8.2
798.19647	1.4
840.39789	0.7
841.42102	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	841.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.15970	0.2
64.34063	0.2
66.77728	0.2
69.60014	1.2
70.48731	0.2
71.01367	0.3
79.95742	2.7
89.02465	0.2
94.02956	0.4
95.95235	1.2
96.96007	75.8
98.20676	0.4
98.95603	1.6
108.04528	0.4
109.03011	0.3
119.05031	0.3
122.06093	1.4
123.04508	0.2
125.02434	0.2
136.03981	0.4
136.07658	1.3
138.05615	0.4
146.88766	0.2
149.33513	0.2
150.05602	1.1
164.07091	0.2
186.09264	0.3
201.06725	0.3
201.36636	0.2
202.07361	0.3
202.12335	0.2
203.05800	0.2
213.06578	0.3
215.08305	0.2
228.10350	0.4
229.09900	1.7
230.12027	0.9
231.09149	0.2
245.09218	0.6
255.11382	0.6
257.09131	0.8
273.12280	3.0
289.07358	0.3
291.12753	0.3
299.10397	0.3
317.11414	1.7
325.11935	0.8
335.12473	11.6
336.12726	1.2
424.32468	0.2
438.36691	0.2
439.10699	0.5
453.17957	100.0
454.18274	11.1
454.24786	0.2
455.17947	3.1
456.18469	0.3
505.18417	0.9
841.31818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.15970	0.2
64.34063	0.2
66.77728	0.2
69.60014	1.2
70.48731	0.2
71.01367	0.3
79.95742	2.7
89.02465	0.2
94.02956	0.4
95.95235	1.2
96.96007	75.8
98.20676	0.4
98.95603	1.6
108.04528	0.4
109.03011	0.3
119.05031	0.3
122.06093	1.4
123.04508	0.2
125.02434	0.2
136.03981	0.4
136.07658	1.3
138.05615	0.4
146.88766	0.2
149.33513	0.2
150.05602	1.1
164.07091	0.2
186.09264	0.3
201.06725	0.3
201.36636	0.2
202.07361	0.3
202.12335	0.2
203.05800	0.2
213.06578	0.3
215.08305	0.2
228.10350	0.4
229.09900	1.7
230.12027	0.9
231.09149	0.2
245.09218	0.6
255.11382	0.6
257.09131	0.8
273.12280	3.0
289.07358	0.3
291.12753	0.3
299.10397	0.3
317.11414	1.7
325.11935	0.8
335.12473	11.6
336.12726	1.2
424.32468	0.2
438.36691	0.2
439.10699	0.5
453.17957	100.0
454.18274	11.1
454.24786	0.2
455.17947	3.1
456.18469	0.3
505.18417	0.9
841.31818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.7
59.71753	0.5
61.06355	0.5
61.98525	0.9
61.98826	14.0
69.03442	1.1
70.92170	0.5
70.92508	0.9
71.01380	29.2
72.99293	2.0
73.02956	5.3
75.00844	1.6
79.95726	0.6
80.80756	0.4
80.96513	2.2
83.01379	5.6
85.02946	12.4
87.00868	5.2
88.98828	0.6
89.02438	12.6
95.01382	3.5
96.95982	1.5
97.02914	1.9
99.00875	4.4
101.02441	24.7
113.02444	15.7
119.03483	1.9
125.02446	3.1
129.01938	0.7
131.03517	2.7
143.03479	2.1
157.52942	0.6
161.04533	6.1
163.07693	0.7
164.98643	0.6
171.10272	0.6
179.05568	0.7
185.11803	0.6
207.10249	0.5
209.11774	2.7
219.85921	0.5
221.06599	1.9
223.09666	0.6
224.34575	0.6
225.11319	0.5
271.24628	0.5
327.21750	0.9
454.59381	0.6
779.42181	12.6
781.47369	100.0
782.47687	21.3
841.51215	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	841.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48424	2.6
61.98838	3.4
69.18901	2.2
69.68497	2.6
71.01368	10.0
71.57970	3.3
78.95910	2.8
78.98591	6.7
79.95734	21.6
80.96513	100.0
87.00833	2.9
87.89474	2.7
94.98087	18.6
96.95977	3.2
116.92876	2.6
122.97564	6.1
125.02433	3.4
133.40068	2.3
134.97562	5.5
148.99086	8.9
152.98610	9.7
164.98616	13.1
190.85103	2.5
225.00775	16.5
441.80374	2.8
742.90826	3.1
841.51373	90.4
842.52222	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	843.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.9
61.98829	5.1
65.06258	1.0
66.96875	0.9
69.03420	1.0
69.49081	0.9
71.01379	33.0
71.06114	2.0
72.99293	1.9
73.02947	8.9
75.00863	1.2
79.95736	0.9
83.01386	7.2
85.02956	17.2
87.00878	1.8
88.98815	1.3
89.02447	5.5
89.32493	0.9
95.01382	4.1
96.96027	4.4
97.02975	1.1
99.00880	4.9
101.02438	22.3
113.02444	14.4
118.11912	0.9
119.03495	1.4
125.02442	3.3
159.03000	1.1
161.04630	4.5
209.11752	2.6
225.11180	1.2
333.62811	0.9
339.71301	1.0
422.07635	1.1
512.13257	1.2
621.43884	2.5
783.48926	100.0
784.49237	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	844.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98827	100.0
62.98522	0.2
70.49591	0.4
71.01388	0.6
75.00879	0.4
82.60350	0.2
85.02977	0.3
89.02456	0.2
90.55097	0.2
96.38630	0.2
96.96032	0.5
99.00928	0.2
101.02458	0.3
113.02478	0.2
142.16580	0.2
181.78023	0.1
184.48256	0.2
197.66154	0.2
234.56998	0.2
307.16434	0.2
540.51190	0.2
609.44910	0.2
769.24725	0.2
779.43109	0.2
781.42566	2.7
784.48303	0.7
794.16022	0.2
826.25916	0.2
868.60931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
71.01366	0.5
79.95718	0.6
85.02946	0.3
86.88960	0.3
88.38286	0.3
96.96011	9.7
132.36206	0.3
168.99261	0.3
213.67015	0.3
229.86275	0.3
270.98807	17.0
271.99170	1.4
285.00366	1.0
286.01074	0.3
298.98300	49.0
299.98639	3.0
312.99854	1.6
314.00653	74.8
315.00989	4.7
329.02994	100.0
330.03302	7.3
408.98657	74.4
409.09854	0.4
409.98981	5.4
442.25589	0.4
459.24161	0.3
547.95264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98825	2.2
63.96248	2.3
69.03468	0.5
69.91151	1.0
69.91563	0.9
69.94656	0.3
70.01273	0.3
71.00999	0.7
71.01382	10.9
71.01775	0.6
72.99297	0.4
73.02934	2.2
78.98594	7.0
79.95734	22.8
80.96515	100.0
81.03442	0.8
82.96085	0.6
83.01380	0.6
85.02944	4.2
87.00877	3.1
94.98086	19.2
96.95998	2.0
97.02927	1.7
99.00877	0.7
99.04480	0.4
101.02441	3.3
105.33476	0.3
106.98075	3.9
113.02428	0.9
122.97585	5.5
125.02428	3.2
127.03981	1.0
129.29742	0.3
134.97571	6.8
136.99164	2.1
141.01949	0.5
148.99139	7.6
152.98634	6.0
164.98625	12.6
167.00172	0.6
182.22502	0.3
182.99660	0.5
188.98549	0.3
206.99648	3.3
225.00729	19.9
226.01102	0.6
251.35464	0.4
255.23364	3.2
278.10910	0.3
283.04904	1.2
319.15982	0.4
469.31052	0.4
537.27228	1.7
589.22906	1.4
609.28760	0.4
782.21484	0.4
845.47217	88.6
846.47546	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	847.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.1
61.98828	21.7
65.50365	1.2
67.17800	1.2
71.01378	79.7
72.01677	1.3
73.02955	2.4
75.00883	1.2
76.92496	1.2
78.95889	1.7
80.02677	2.1
81.03463	3.3
83.05026	7.8
84.02148	1.2
84.94401	1.1
85.02997	1.9
87.00896	2.3
89.02454	4.0
95.05022	1.2
96.96005	4.8
97.02936	1.8
97.06572	1.6
99.00841	1.4
101.02458	4.0
107.05074	1.4
109.06581	11.4
109.90253	1.3
113.02441	2.5
125.02400	1.3
125.09713	3.0
127.11295	1.6
132.88820	1.3
135.08173	3.0
136.05319	1.5
144.01811	1.3
161.04561	1.6
161.09770	1.3
163.11279	12.4
165.12828	3.4
171.10245	17.2
181.12355	4.0
185.11745	2.0
201.11310	9.8
207.10242	30.2
208.10590	1.3
209.11804	100.0
210.12129	5.8
225.11295	27.5
227.12854	12.2
235.08217	2.3
243.12488	1.3
253.09288	9.9
285.15009	1.7
399.21927	3.0
417.22556	3.0
428.06235	1.3
443.19238	1.5
461.20065	6.8
635.30396	3.7
653.31879	3.0
671.32642	6.1
672.33307	3.5
689.34308	1.7
734.33032	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	847.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.4
62.45509	0.7
63.96230	1.7
67.42669	0.6
69.03441	1.3
70.84807	2.0
71.01381	9.2
73.02942	1.5
78.98587	7.5
79.95734	18.6
80.96513	94.2
81.03452	0.8
82.96094	2.2
85.02935	4.3
86.91148	0.6
87.00893	3.5
93.88775	0.6
93.97320	0.8
94.97472	1.2
94.98085	22.6
96.95994	2.5
97.02946	1.5
99.00879	0.8
101.02447	2.9
106.98080	3.9
122.97573	5.2
125.02448	3.6
127.04025	0.9
134.97621	6.1
136.99107	2.2
146.77309	0.6
148.99130	7.6
152.98624	7.2
164.98628	15.9
182.08234	0.7
206.99573	3.3
225.00732	24.0
226.01071	1.0
255.23291	1.7
356.95251	0.8
408.45596	0.6
537.27045	1.7
539.72516	0.8
591.24567	2.3
637.00787	0.7
749.40778	0.7
847.48645	100.0
848.49091	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
59.25738	0.5
61.98827	7.0
63.96231	2.1
67.42897	0.5
68.24745	0.5
69.03439	1.6
70.63779	1.5
71.01376	9.1
73.02942	1.9
77.84930	0.5
78.95881	0.6
78.98593	7.8
79.95730	21.0
80.96512	95.4
81.03447	1.0
81.95290	0.8
82.57463	0.5
82.96105	3.8
83.01408	0.7
85.02940	4.2
87.00867	3.1
90.69769	0.5
94.97473	1.2
94.98081	23.1
96.96007	2.1
96.97640	0.7
97.02940	2.3
99.00878	1.4
101.02422	3.8
106.98080	3.9
117.59142	0.5
122.97576	6.3
125.02464	4.4
127.04033	0.5
134.97585	7.3
136.99112	2.0
148.99120	7.4
150.96997	0.6
152.98630	8.7
164.97302	1.0
164.98621	15.1
165.98814	0.5
166.98167	0.6
167.00189	1.0
169.59993	0.6
179.00291	0.5
188.98663	0.6
197.00809	0.5
206.99742	3.1
225.00731	22.4
226.01039	1.4
255.23276	2.6
256.23499	0.8
260.11209	0.7
274.54630	0.5
283.04791	1.2
530.57410	0.7
537.27258	1.3
591.24805	1.8
699.89087	0.6
761.41205	3.9
762.42255	0.9
847.48547	100.0
848.49054	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	849.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.3
69.03449	4.9
71.01009	0.9
71.01381	14.9
71.05024	1.5
71.59502	0.8
72.15338	0.6
72.99275	1.5
73.02925	2.3
75.00894	0.7
79.95743	0.6
80.02682	1.1
81.03436	1.4
81.77731	0.6
83.01369	2.2
83.05019	3.6
84.02168	1.1
85.02942	4.4
87.00868	2.6
89.02441	9.0
95.01362	1.6
95.04987	1.1
96.95980	2.6
97.02927	1.7
97.06583	1.2
99.00862	1.0
101.02437	9.4
109.06600	0.8
113.02444	4.1
119.03458	1.9
123.08112	1.8
125.02418	2.3
125.06036	0.9
125.09704	2.3
127.86231	0.6
131.03513	0.6
135.08124	0.8
139.03952	0.7
143.03493	0.7
151.11278	2.8
153.12846	0.8
161.04532	0.8
161.09676	4.0
163.11282	3.0
165.12810	1.6
169.01466	0.8
169.12305	1.1
179.05592	0.8
179.10759	5.7
182.55568	0.6
191.10718	0.9
197.11810	47.5
198.12102	2.3
207.10121	0.8
209.11804	46.6
210.12135	2.2
221.06575	2.1
223.09674	1.3
225.11279	0.9
227.12819	2.4
235.08260	1.1
241.10823	3.3
241.12860	0.7
299.98923	1.0
300.99805	1.3
312.99774	1.2
315.01230	1.1
328.02048	1.3
343.04489	2.0
365.60474	0.6
397.13330	1.7
415.14203	0.7
639.24774	1.1
733.24615	0.8
831.36731	0.7
849.37531	100.0
850.37866	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	849.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.0
61.98816	1.8
69.03439	1.4
71.01379	11.4
72.99287	1.1
73.02926	2.1
79.95683	0.9
80.96509	0.9
83.01359	1.8
85.02936	2.9
87.00863	2.2
89.02442	10.4
97.02930	2.0
97.06585	4.3
99.00890	0.8
99.80101	1.2
101.02445	8.1
104.25125	0.8
107.84007	0.8
113.02458	4.5
119.03484	1.6
122.48911	0.9
125.02394	2.3
145.15460	0.9
151.11282	9.3
169.12337	33.8
170.12624	1.9
193.23718	0.9
213.11264	3.7
221.06587	1.3
235.08168	1.4
255.23279	42.4
256.23651	2.7
306.65073	0.9
372.55399	1.0
377.41992	0.9
397.13580	1.5
800.23187	1.1
849.48474	100.0
850.48749	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98524	0.2
65.03967	0.1
66.40823	0.2
67.05709	0.1
68.23782	0.1
69.44279	0.8
69.44686	0.3
71.01374	0.4
79.95744	0.2
80.91682	0.3
80.96512	0.3
96.67772	0.1
96.96004	1.4
107.46410	0.2
209.11871	0.4
867.87543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98825	100.0
62.57127	0.1
62.98521	0.1
66.67393	0.1
71.01389	0.4
71.58278	0.1
71.64180	0.1
96.96003	0.9
113.02488	0.1
119.88051	0.1
209.11850	0.4
225.11418	0.2
301.76761	0.1
397.13254	0.1
644.92273	0.1
665.80792	0.1
674.77155	0.1
850.38641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.1
67.97448	0.4
68.13958	0.4
69.03436	1.0
71.01379	21.6
71.59959	0.7
72.99300	1.9
73.02942	3.8
75.00868	1.0
79.95731	3.6
81.03463	0.4
83.01373	3.2
85.02947	9.7
87.00893	2.6
89.02447	7.9
95.01383	2.7
96.96008	100.0
97.02950	1.6
97.95965	0.5
99.00877	1.2
101.02439	11.0
109.02951	0.6
111.00914	0.8
112.01697	0.7
113.02444	12.1
114.02791	0.6
116.30553	0.4
119.03503	3.4
121.02974	0.6
124.01665	1.3
125.02450	4.7
128.67949	0.5
131.03452	0.5
136.25104	0.4
137.02417	1.1
139.04045	0.5
143.03488	1.8
146.04582	1.0
150.03233	0.7
151.00371	0.5
157.12363	0.6
159.02965	0.4
161.04570	1.3
164.04657	0.4
165.05573	0.6
185.49359	0.4
195.06593	0.6
202.02626	0.4
209.11922	0.7
258.01666	0.5
287.01981	0.5
300.99887	0.7
301.03467	0.5
314.00708	1.2
315.01233	1.2
339.25345	0.6
345.27893	0.4
357.26447	1.3
400.90002	0.4
412.07822	0.5
483.29724	1.4
501.30756	4.3
519.31567	1.8
609.32404	0.7
627.33765	0.6
645.34875	17.8
646.35413	3.7
663.35931	25.0
664.36322	3.9
681.36951	5.1
682.37616	1.0
705.24451	0.8
705.37012	11.4
706.37787	2.3
723.37958	12.2
724.38538	3.0
755.18524	0.5
756.17468	1.0
765.39227	3.4
766.39783	0.9
853.26080	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	853.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.2
67.37647	0.6
71.01381	17.2
71.60907	1.0
72.99286	1.7
73.02937	4.1
75.00873	1.1
76.62193	0.6
79.95750	4.6
83.01390	2.9
83.05009	0.8
85.02945	8.0
87.00875	1.8
88.98787	1.1
89.02436	8.3
94.16244	0.6
95.01384	2.1
96.96005	100.0
97.02937	0.8
98.95600	0.8
99.00871	2.0
101.02441	7.9
102.05593	0.7
109.02937	0.9
111.00871	1.1
112.17838	0.6
113.02443	11.0
119.03516	2.4
123.04474	1.0
124.01617	0.8
125.02451	4.9
137.02365	1.3
143.03496	1.5
144.91757	0.6
146.04634	1.3
150.03188	1.5
151.03925	0.8
161.02490	1.1
161.04584	1.7
163.04062	0.8
165.01958	1.0
165.05579	1.1
172.01711	1.1
179.05634	1.3
195.06604	1.2
209.11797	1.2
216.35185	0.7
289.07327	0.7
300.02783	0.7
314.00766	1.5
315.01376	1.8
357.26273	0.8
412.07950	1.3
413.08780	0.8
483.29541	1.3
501.30728	4.2
502.30978	0.8
519.31750	2.0
627.33691	0.9
645.34875	13.7
646.35229	3.2
663.35950	18.0
664.36383	2.3
681.37189	3.9
705.36755	8.4
706.37756	2.0
723.37976	12.3
724.38812	2.4
756.17358	1.1
765.39355	2.8
853.26459	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	853.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.3
69.35467	0.1
69.44028	0.7
71.01369	0.5
78.95901	0.4
79.95731	4.0
80.96507	0.3
96.96004	100.0
97.95931	0.4
98.53017	0.1
112.20186	0.1
127.19167	0.1
207.10172	0.1
209.11809	0.5
246.89691	0.1
265.07645	0.2
292.71417	0.1
449.38660	0.1
469.12442	0.1
547.22186	0.1
692.18518	0.2
705.20148	0.1
706.98456	0.1
853.40656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52460	2.2
61.98822	8.4
71.01379	21.3
72.99354	2.3
73.02947	5.3
79.95739	4.0
80.96496	5.0
81.03466	3.5
82.08958	2.3
83.01390	3.5
83.05008	5.7
85.02947	10.3
87.00865	2.4
89.02457	15.2
95.86745	2.2
96.96030	13.0
99.00890	3.5
101.02438	14.8
113.02443	9.1
119.03488	4.7
125.02442	4.6
159.72855	2.2
161.04541	5.1
163.11252	2.5
179.05618	5.8
179.10779	3.0
183.13863	3.0
199.13338	2.2
209.11807	100.0
210.12148	4.4
211.13376	95.5
212.13733	5.5
227.12851	38.0
228.13213	3.4
229.16820	3.0
255.51157	2.5
280.00867	2.7
287.07816	3.9
328.76355	2.3
379.12228	13.9
397.13458	63.8
398.13760	4.9
415.14874	11.0
474.02170	2.5
589.24908	8.0
591.26599	10.2
607.25983	5.7
609.27539	19.7
610.29053	4.0
651.40771	9.1
801.39093	13.5
819.40540	3.4
855.37445	50.8
856.38141	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	857.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33341	0.6
63.02396	0.8
65.00329	1.6
67.01871	0.8
69.03471	0.6
69.31173	5.2
71.01376	3.4
72.99289	1.1
73.02959	1.1
74.05195	0.6
75.00864	1.4
81.03468	0.9
83.01388	3.7
83.67625	0.5
85.02945	2.5
87.00893	1.1
89.02436	1.3
91.05534	0.9
93.03445	6.9
95.01373	1.1
95.05001	3.2
96.96009	6.0
97.02958	1.4
99.00894	1.6
101.02421	1.1
105.03457	2.1
107.01369	3.3
108.02171	8.4
109.02950	32.2
110.03297	1.0
113.02464	2.2
117.03474	4.5
119.05020	8.4
121.02953	8.7
122.03730	2.2
123.04528	24.9
124.04825	0.8
125.02428	3.8
131.05025	1.1
133.02951	10.4
135.04509	4.5
137.02429	3.8
138.09744	0.5
139.04021	3.4
145.02957	3.3
146.03725	1.5
147.04515	2.3
148.01662	2.6
148.05301	1.9
149.02435	28.2
149.06029	0.9
150.03123	1.9
151.00349	10.5
151.03999	15.3
159.04477	2.3
160.05299	1.3
161.02434	100.0
161.06073	2.4
162.03008	5.5
163.03999	73.0
164.01131	0.8
164.04402	2.2
165.01935	2.2
165.05563	0.8
169.01443	0.7
171.04506	0.9
172.05298	2.0
173.02432	0.7
174.03206	2.6
175.04001	11.0
175.07579	0.6
176.01175	0.9
177.01901	2.5
177.05501	2.8
177.09103	0.8
179.03513	2.9
179.10780	1.0
185.06032	1.5
187.04100	1.2
187.07587	1.1
188.01144	3.3
188.04749	1.3
189.01903	10.7
189.05530	0.9
191.03496	1.6
199.07674	0.7
200.04854	0.8
201.01971	1.7
201.05586	1.2
202.02715	8.4
203.03490	12.5
203.07129	1.2
204.03964	0.6
205.05003	3.7
213.05553	0.8
214.06369	1.0
215.03584	1.1
216.04295	1.1
219.02942	2.2
225.05452	0.9
226.06363	0.8
227.07043	0.8
231.02950	0.8
237.05547	0.9
239.06989	0.8
241.05006	1.2
242.05818	0.8
245.08017	0.9
247.06119	1.2
249.06180	0.7
255.06552	0.7
265.04932	0.7
267.06964	1.0
269.04370	1.2
270.05417	2.9
270.09012	0.6
271.06097	28.7
272.06384	2.7
273.07742	1.1
279.06549	0.7
283.06192	1.0
285.04556	0.8
285.07642	3.8
285.10861	1.0
287.09186	1.6
289.07175	4.8
297.07755	1.2
299.05878	0.8
299.09247	0.9
303.08731	1.9
307.06104	2.2
310.04807	1.3
311.05603	0.6
313.07175	22.2
313.10806	1.3
314.07657	2.6
315.08939	2.9
325.07144	44.3
326.07675	5.4
327.08701	3.6
329.10330	1.8
331.08105	1.5
339.08728	5.7
341.10196	2.6
343.08148	8.2
344.12668	1.7
351.01764	19.9
352.01981	1.7
357.09790	8.1
358.10052	1.0
359.14902	1.9
371.15033	1.1
434.69827	0.6
437.12369	8.8
438.12521	1.6
438.41632	0.6
449.12326	11.4
450.12817	1.3
467.13428	95.3
468.13782	12.4
505.85587	0.6
677.24658	0.7
695.25244	3.1
797.46289	1.6
856.42773	1.0
857.30121	1.6
857.44641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.5
65.00323	1.2
69.03467	1.8
69.29304	1.7
69.29713	5.5
71.01378	7.5
71.05016	1.0
72.99292	1.4
73.02933	3.0
75.00866	2.7
78.57181	0.7
79.95729	1.4
83.01377	4.4
85.02944	5.8
87.00878	1.1
89.02459	2.0
93.03452	4.7
95.01400	1.8
95.05030	3.4
96.96001	8.3
97.02943	2.4
97.06565	0.7
98.19817	1.4
99.00880	3.1
100.69873	0.7
101.02434	2.4
105.03448	2.3
107.01376	2.0
108.02157	9.6
109.02950	33.1
112.70092	0.7
113.02451	6.2
117.03441	3.5
119.03465	0.9
119.05029	2.7
121.02954	8.4
122.03719	1.5
123.00845	1.8
123.04514	26.5
124.04862	0.7
125.02433	5.5
131.05063	1.0
133.02164	0.8
133.02959	7.8
135.04539	4.6
137.02426	4.9
139.03996	3.7
145.02921	3.4
146.03738	1.2
147.04469	2.9
148.01639	2.8
148.05307	2.0
149.02432	26.7
149.06062	1.8
150.03168	3.1
151.00385	5.0
151.03990	14.4
159.04526	1.9
160.05258	2.1
161.02429	89.4
161.06003	4.2
162.03136	6.2
163.03995	65.8
164.04341	2.4
165.01926	2.5
165.05525	1.9
172.05273	1.4
173.02386	1.1
173.06012	1.1
174.03224	2.3
175.03964	9.1
177.01987	0.7
177.05521	2.8
177.09225	1.1
178.99863	2.0
179.03447	2.8
179.10745	2.0
181.05058	1.3
187.03972	2.8
187.07639	0.9
188.01134	2.8
188.04710	1.1
189.01891	9.0
191.03448	1.6
193.05066	0.7
201.01929	2.5
201.05577	1.5
202.02693	9.7
203.03473	13.2
203.07155	1.7
204.04086	1.1
205.05009	4.6
211.03960	1.0
213.05630	1.2
215.03423	1.0
216.04247	1.9
219.02890	1.4
226.06378	0.9
227.03349	1.3
227.07071	1.2
229.05032	2.6
231.02905	1.3
241.05061	1.3
243.02814	1.2
245.08156	1.1
247.06110	1.6
249.06111	1.5
255.02898	3.1
267.07043	1.5
269.04565	1.3
270.05270	3.0
270.08801	1.0
271.02475	3.4
271.06015	2.3
283.05951	1.1
285.04031	4.4
285.07635	4.6
287.09186	3.1
289.07196	4.7
297.07593	1.2
299.09247	1.0
300.02722	6.2
301.00058	1.5
301.03372	8.6
302.03879	1.3
303.08688	1.9
307.05869	1.3
313.07138	20.7
314.07706	2.9
315.08698	3.3
325.07138	38.3
326.07556	3.2
327.08661	4.1
329.10196	1.3
339.08688	6.1
341.10214	1.2
343.08258	7.7
344.08640	1.1
344.12527	1.4
351.01642	0.8
351.12161	1.0
356.12686	0.8
357.09793	8.8
359.15048	1.9
361.29626	1.3
369.32330	0.8
371.14813	1.8
437.12317	13.1
449.12354	16.8
450.12726	2.4
467.13409	100.0
468.13629	11.3
505.33917	1.3
572.63055	0.7
613.59882	0.8
649.37756	5.2
667.15302	2.1
667.38916	3.2
677.24805	1.0
695.25714	5.9
709.40161	3.9
727.41180	2.5
769.41913	1.0
797.43304	1.6
813.19049	2.9
857.29620	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	857.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99291	1.3
61.98827	3.3
71.01377	3.5
71.05006	1.3
71.59219	0.6
71.59616	0.6
72.99294	0.7
73.02937	2.5
78.82767	0.5
79.95689	0.5
81.71407	0.5
83.05004	0.6
85.02935	1.5
88.98805	0.9
89.02435	1.6
89.96721	0.6
96.96014	4.2
99.00872	1.0
99.99574	0.6
100.34900	0.5
101.02435	0.8
109.02904	0.7
113.02454	1.5
114.78507	0.5
116.92839	0.9
121.02953	1.6
122.03709	0.7
123.04475	0.7
125.02449	0.8
135.04465	0.8
137.02414	0.7
145.02908	0.9
147.04567	0.6
149.02428	6.1
149.05956	0.7
150.03218	22.8
151.00285	0.9
151.03755	0.6
161.02406	3.5
162.03218	4.4
163.03976	0.9
164.04768	2.4
165.01915	1.1
165.05563	17.3
166.05850	0.6
177.01991	0.7
177.05554	3.8
187.11327	0.7
194.02208	1.0
194.05840	0.7
195.06630	5.3
209.11807	0.9
261.14917	1.2
271.16962	1.2
297.18552	1.5
301.03189	0.7
317.17407	1.1
409.27371	0.8
435.28897	0.9
437.26776	0.9
453.30267	1.3
600.19464	0.7
665.37048	6.3
666.36792	1.1
677.36749	1.3
695.37897	100.0
696.38336	20.5
797.44238	1.2
857.44696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
68.99805	0.5
70.32538	0.8
71.01378	8.0
72.99309	0.9
73.02943	0.5
75.00864	5.0
83.01387	0.9
85.02939	3.8
87.00887	1.0
88.98788	1.0
89.02438	4.3
95.01373	1.6
96.96030	0.5
97.02924	0.4
99.00871	4.7
101.02432	5.3
111.00903	0.3
113.02441	3.9
119.03502	1.1
132.98346	0.2
138.05518	0.3
139.00374	0.3
144.05959	0.2
150.52443	0.2
157.01379	0.6
161.04477	0.4
181.67612	0.3
201.97113	0.2
207.10443	0.3
209.11758	0.5
304.79745	0.3
437.34824	0.3
455.35300	0.7
525.39496	0.9
795.45270	56.9
796.45673	11.5
858.38763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.467
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96242	2.8
64.78813	1.4
67.40144	1.5
70.04880	3.0
70.05276	3.0
71.01372	9.4
73.02967	1.5
78.95921	1.4
78.98602	6.9
79.95739	59.4
80.96516	100.0
81.03442	1.3
84.39719	1.3
85.02950	3.6
87.00845	3.2
94.98084	18.9
96.96004	3.5
97.02914	2.2
98.20571	1.8
101.02402	3.5
106.98081	5.1
122.97572	5.7
125.02441	4.7
127.03989	2.0
134.97562	6.3
136.99118	2.7
141.17953	1.5
141.39322	1.2
148.99135	6.8
152.98656	8.8
164.98642	14.9
169.78577	1.3
206.99631	4.7
225.00734	29.6
241.00220	1.6
255.23247	3.2
283.04889	2.0
296.85992	1.4
341.05298	1.8
355.06580	1.3
425.14771	2.2
453.13098	1.6
537.27557	4.1
679.35931	2.3
710.37366	1.8
712.37885	2.2
735.39679	3.0
763.39301	25.9
764.39990	10.3
815.41620	1.5
843.45715	4.2
861.46790	70.8
862.47046	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	861.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	4.1
70.86327	2.5
71.01377	26.8
72.99292	3.3
73.02937	2.9
79.45309	1.4
81.03445	4.7
83.01379	2.8
83.05019	3.1
85.02949	7.8
87.00876	6.2
89.02438	23.9
93.03430	1.8
94.02750	1.6
95.01378	2.6
97.02946	13.5
97.55640	1.4
99.00858	3.5
101.02433	18.4
107.05043	1.8
108.06998	1.3
109.02935	1.5
109.06583	33.2
110.03642	1.6
113.02463	11.4
116.92876	1.6
119.03473	4.2
121.06573	1.8
125.02425	7.2
134.89536	1.5
135.08105	5.3
136.05339	2.1
142.02728	2.0
143.03419	3.9
161.04546	4.2
163.11272	19.6
179.05580	4.1
181.12312	5.7
187.09642	1.6
189.09183	1.5
193.41258	1.6
207.10242	100.0
208.10599	5.8
209.11813	1.9
225.11313	36.9
226.11575	1.6
235.08107	6.9
255.23265	83.4
256.23572	4.5
305.08786	2.0
323.09653	2.4
334.69193	1.4
379.12384	8.3
397.13483	50.7
398.13666	1.9
415.14664	13.0
587.23651	1.8
605.24341	4.1
605.95123	1.4
623.25488	3.6
653.37415	4.2
861.48492	65.1
862.48853	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	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.3
69.03416	1.3
71.01377	18.2
71.59251	0.7
72.99300	0.8
73.02939	2.8
80.02685	1.0
81.03446	2.1
83.01388	2.1
83.05016	4.6
84.02153	1.1
85.02946	4.7
87.00888	3.9
89.01921	1.1
89.02437	13.4
95.01376	1.5
95.05053	0.7
96.95998	2.0
97.02954	3.7
99.00884	1.1
101.02435	13.4
103.00368	1.2
109.06602	0.7
113.02448	6.4
116.92846	2.1
119.03512	5.1
123.04507	0.6
125.02438	6.7
135.08200	0.6
137.02480	0.5
143.03488	1.9
145.81291	0.6
161.04532	2.9
163.11267	5.1
165.12814	3.2
179.05573	5.1
188.60832	0.5
191.10715	0.7
199.06020	0.7
207.10294	2.0
209.11809	100.0
210.12134	5.9
217.07172	1.4
221.06619	1.6
225.11290	4.2
227.12875	14.0
235.08150	5.7
253.21707	60.1
254.21967	4.3
255.23294	2.4
259.08224	0.9
277.21716	0.8
287.07755	1.9
305.08868	2.1
323.09915	1.1
379.12433	9.7
397.13464	45.2
398.13770	2.4
406.49622	0.6
415.14468	10.1
527.69342	0.6
605.24115	0.6
607.25586	0.9
651.35883	2.0
861.48450	2.5
862.49902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.3
69.03445	1.1
71.01377	27.3
71.06478	1.9
72.99297	3.8
73.02946	4.8
75.00825	1.2
77.13718	1.1
83.01375	2.3
83.05019	2.9
85.02959	6.0
87.00841	5.0
87.01340	1.2
88.98795	1.8
89.02437	21.8
95.01377	3.2
95.04996	3.5
97.02946	7.2
97.76871	1.2
99.00887	3.0
101.02430	21.5
105.01904	6.1
109.06582	14.4
110.03704	2.3
113.02453	9.8
116.92825	1.4
119.03487	5.8
121.06529	1.3
125.02427	6.5
125.09692	1.2
134.89505	2.1
135.08122	1.8
137.02419	1.4
143.03488	3.3
145.10095	1.3
161.04565	3.2
161.09680	2.3
163.11249	12.3
179.05573	3.6
179.10774	1.8
181.12311	2.7
189.09213	5.0
197.11794	1.5
207.08337	2.5
207.10255	44.1
208.10577	2.1
209.11783	4.5
221.06654	2.4
225.11308	100.0
226.11621	5.0
235.08134	8.2
253.09201	3.4
255.23283	65.1
256.23636	4.1
277.21771	5.6
278.22061	1.7
301.18448	1.6
305.08688	2.7
314.42435	1.5
323.09723	2.5
327.21555	1.7
379.12485	5.0
397.13461	60.4
398.14014	3.1
398.75305	1.4
415.14563	11.9
416.14801	1.7
605.24396	8.5
623.25409	7.7
624.25562	1.4
653.37805	4.4
708.12579	1.2
724.69415	1.5
861.48523	49.6
862.48840	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	863.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64059	0.5
61.98827	6.1
65.88914	0.6
69.03478	0.9
71.01376	9.7
71.58440	0.5
72.95073	0.6
72.99271	1.0
73.02946	1.5
75.00858	0.7
80.95235	0.5
83.01372	0.8
85.02935	2.2
87.00864	2.3
88.98791	0.5
89.02441	8.9
95.01380	0.9
96.96030	3.5
97.02940	1.3
97.99300	0.5
99.00877	0.6
101.02430	6.5
108.01911	0.6
113.02441	3.6
119.03509	2.3
125.02464	2.5
143.03471	1.5
143.06657	0.6
161.04520	2.2
176.38043	0.5
179.05586	1.5
183.13904	9.0
193.12294	1.7
209.11864	0.9
211.13371	100.0
212.13757	5.2
221.06706	1.2
235.08127	3.0
287.07635	0.8
323.09702	0.7
379.12396	6.0
380.12222	0.6
397.13467	21.1
398.13425	1.3
415.14505	3.8
591.26532	10.3
592.26758	2.0
609.27612	10.7
610.28040	1.3
728.64355	0.6
785.40009	2.5
803.40430	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	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96214	0.2
61.98832	0.5
69.03455	0.6
71.01379	13.3
71.59933	0.3
72.99306	1.1
73.02943	1.8
73.98381	0.3
75.00871	0.7
80.02675	1.3
81.03442	1.5
83.01376	1.4
83.05016	4.6
84.02180	0.8
85.02944	2.9
87.00877	2.9
88.16268	0.3
89.02445	10.5
91.04032	0.4
93.03466	0.4
95.01389	1.1
95.05025	0.5
96.95956	0.3
97.02960	1.9
99.00880	1.0
101.02439	9.6
103.03986	0.3
111.00842	0.5
111.04489	0.4
113.02441	5.8
119.03484	3.4
122.97560	0.4
125.02446	5.1
125.06091	0.6
131.03508	0.5
131.54024	0.3
135.08150	0.4
135.96040	0.3
139.03998	0.4
143.03491	2.0
147.78473	0.3
161.04565	2.7
163.10037	0.4
163.11285	3.9
165.12827	2.4
179.03683	0.3
179.03969	0.4
179.05583	3.7
181.12302	0.5
185.04631	0.4
191.10695	0.8
191.60141	0.2
199.06161	0.4
199.13351	0.6
207.10225	0.3
209.11815	100.0
210.12169	4.8
217.07169	0.8
221.06691	1.3
225.11304	0.3
227.12865	11.8
228.13147	0.5
235.08224	4.5
245.06615	0.4
251.12962	1.0
253.09317	0.8
255.23282	42.1
256.23648	3.0
259.08203	0.7
263.07700	0.4
269.24924	0.7
287.07855	2.0
301.09277	0.4
305.08768	1.9
323.09811	0.7
379.08725	0.2
379.12436	7.8
397.13474	30.4
398.13806	1.8
415.14548	6.8
415.19809	0.5
416.15323	0.5
528.64038	0.3
589.25165	1.2
607.26031	1.9
608.26678	0.3
635.36322	0.4
653.37769	0.9
668.99231	0.3
706.48450	0.3
748.31836	0.3
863.49304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01704	0.2
64.41959	0.2
69.03447	1.1
70.31781	0.6
71.01378	16.4
72.99301	1.1
73.02947	3.0
75.00847	0.3
77.77762	0.2
80.02680	1.2
81.03454	2.0
83.01373	2.0
83.05025	4.9
84.02150	0.6
84.97839	0.2
85.02949	3.7
85.16648	0.2
86.00120	0.2
87.00382	0.4
87.00867	3.6
89.02441	14.0
90.02721	0.2
91.04027	0.3
93.03445	0.2
95.01390	1.0
95.05004	0.7
97.02947	2.8
98.20755	0.2
99.00865	1.0
101.02438	12.8
102.02794	0.3
109.02937	0.2
109.06561	0.2
111.04509	0.4
113.02444	6.3
115.03993	0.4
119.03481	3.0
121.02913	0.3
125.02442	6.7
125.06075	0.4
125.09763	0.2
131.03500	0.7
133.04976	0.3
135.08139	0.6
137.02399	0.3
139.03983	0.6
141.01901	0.2
143.03497	2.6
145.05034	0.4
147.11795	0.3
149.04506	0.3
161.04552	3.5
163.11266	3.4
165.12805	1.9
167.03458	0.4
179.05614	3.3
181.12259	0.6
191.10760	0.7
199.06129	0.4
209.11810	100.0
210.12149	5.1
217.07118	0.7
219.05180	0.2
221.06673	1.3
227.12869	12.8
228.13243	0.6
235.08197	4.9
236.08563	0.4
245.06812	0.2
251.12837	0.3
253.09296	0.6
255.23274	56.1
256.23621	3.9
259.08215	0.6
263.07703	0.8
269.24753	0.8
287.07767	1.8
301.09558	0.3
305.08829	1.9
323.09766	1.2
379.12469	8.8
380.12817	0.5
397.13483	41.4
398.13815	2.4
411.39978	0.2
415.14575	8.2
416.14963	0.9
459.29471	0.2
589.24908	0.6
607.25964	1.1
635.36780	0.8
653.37463	1.8
655.64343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.5
70.35622	1.0
70.36018	1.1
71.01377	1.0
73.47825	0.4
79.95708	0.7
81.03463	1.5
83.01378	4.2
83.05023	0.5
85.02967	0.5
89.02434	0.9
89.03965	0.8
93.03476	1.5
95.01421	0.8
95.05023	1.2
95.95206	0.5
96.95999	15.2
97.02945	2.2
101.02465	0.5
107.05029	1.7
108.02199	0.9
109.02943	10.3
117.03460	1.5
119.05019	0.6
121.02963	3.0
122.03720	1.0
123.00898	0.6
123.04527	7.1
125.02440	100.0
126.02773	3.0
129.73740	0.4
131.05026	1.3
133.02943	5.6
135.04510	2.2
137.02438	14.1
138.91924	0.5
139.04007	1.1
143.04953	0.5
145.02911	0.9
146.03683	0.6
147.04506	3.4
149.02451	3.3
150.03250	1.4
151.03995	11.5
152.04390	0.5
154.02737	0.5
155.05060	0.5
159.04427	2.6
160.01733	0.6
161.02435	32.7
161.06084	2.7
162.03038	1.8
163.00327	3.1
163.03990	4.8
164.01143	5.8
165.01926	5.2
167.03452	1.3
171.04453	0.5
173.02444	0.5
173.06021	1.3
174.03181	1.0
175.03990	14.0
175.07584	0.5
176.01088	0.8
176.04436	0.7
177.01918	11.9
177.05502	0.8
178.02544	0.8
179.03560	2.6
185.06067	1.0
187.03960	3.7
188.04732	1.8
189.01936	1.2
191.03447	1.1
193.05060	1.2
197.06087	0.8
198.03386	0.4
199.03955	4.4
201.01939	0.9
201.05516	2.4
202.06369	0.5
203.01747	0.5
203.03380	2.5
203.07091	3.5
205.01468	1.3
205.05040	3.7
211.04131	1.2
212.04498	0.5
213.05533	1.3
214.02640	1.0
215.03387	1.1
217.01527	0.6
217.05060	6.5
219.03036	3.2
219.06543	0.5
221.08138	0.8
225.05611	1.0
227.03581	1.3
227.07092	0.8
228.04214	0.9
229.05038	2.6
230.02202	0.5
230.05533	0.8
231.02965	1.0
235.30576	0.5
241.04906	0.9
243.02943	16.7
243.06677	1.6
244.03424	0.9
245.04510	9.7
245.08180	4.8
246.04854	0.8
247.06055	0.6
253.05022	1.2
255.02945	7.1
256.03613	1.8
257.04468	1.5
261.04001	5.7
269.04599	2.1
271.05939	0.6
273.04092	2.0
281.04517	2.3
282.01532	0.9
283.02545	1.9
285.04025	1.5
287.05582	29.7
288.05878	1.9
289.03906	1.1
289.07141	20.8
290.07565	1.4
297.04037	1.0
299.05591	3.8
301.03452	0.5
307.06204	0.6
315.08606	0.6
327.05084	0.8
327.10880	4.1
329.06738	0.9
339.08768	2.1
341.06693	1.5
363.05173	1.3
371.13260	0.8
379.08630	0.7
381.05734	0.8
381.09964	1.1
391.04385	0.9
395.07904	1.3
405.06155	5.3
407.07660	19.0
408.08051	2.0
413.08688	7.5
414.09119	0.7
417.06305	0.8
423.07101	4.4
425.08734	11.5
426.08997	1.2
435.07007	0.8
449.08820	5.9
451.10349	6.8
469.17456	21.2
470.17703	1.1
517.10553	0.5
519.12238	0.5
525.08228	1.5
533.10773	1.4
543.09082	3.5
544.09222	0.8
557.10565	0.7
559.12238	1.4
561.10242	1.4
569.10956	1.6
575.11792	8.1
576.11841	1.2
577.13440	12.3
578.13898	1.5
587.11957	3.7
668.53656	0.6
677.14337	0.6
695.13843	7.5
696.14642	1.3
702.20624	0.5
713.15314	3.7
714.15149	0.7
739.16895	1.8
740.16254	0.6
865.20361	2.0
866.21808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.5
68.99779	0.4
69.70609	1.3
69.71007	0.8
70.66500	0.4
71.01398	0.4
79.71800	0.4
81.03454	1.3
82.62357	0.4
83.01381	4.0
90.03580	0.4
93.03453	1.6
95.01367	0.5
95.05016	1.0
96.95972	1.0
97.02961	1.8
107.05016	1.9
108.02144	1.2
108.52272	0.4
109.02946	12.6
117.03498	0.7
120.99660	0.9
121.02950	3.0
122.03716	0.9
123.04514	7.3
124.01681	0.5
125.02439	100.0
126.02758	2.4
131.04996	1.0
133.02948	5.2
135.04527	2.0
137.02434	14.5
139.04034	1.6
145.02960	0.8
145.21742	0.4
146.03799	0.5
147.04543	0.9
149.02426	4.4
149.06067	1.0
150.03255	1.0
151.03992	11.1
157.06491	0.5
158.03833	0.4
159.04512	2.6
160.01483	0.5
161.02428	32.4
161.06004	2.7
162.03088	1.7
163.00349	3.1
163.04010	4.8
164.01146	5.4
165.01930	5.5
166.02647	0.4
167.03471	1.6
173.06108	0.7
174.03203	1.0
175.03996	13.8
175.05508	0.7
175.07567	1.0
176.01115	0.9
176.04306	0.6
177.01932	10.5
177.05563	1.2
179.03499	2.1
187.04010	4.4
188.04733	1.3
189.01903	1.4
189.05595	0.6
191.03433	0.8
193.05043	0.7
197.06160	0.6
199.03987	4.1
201.01967	0.9
201.05574	2.3
202.06351	0.8
203.03528	2.5
203.07126	4.1
205.01393	1.4
205.05034	3.7
207.03178	0.4
211.03952	1.0
212.04823	0.6
213.05566	0.9
214.02681	0.7
215.03551	1.3
215.07170	0.7
217.01431	0.7
217.05019	6.5
219.03009	3.5
219.06557	0.9
221.08186	0.8
225.05562	1.0
227.03493	2.0
227.07025	0.8
228.04132	0.6
229.05031	2.5
231.02951	2.0
237.05522	0.5
240.04315	0.5
241.05019	0.5
242.02133	0.4
243.02954	16.6
243.06616	1.3
244.03387	1.4
245.04507	10.2
245.08138	5.4
246.04912	0.5
247.06079	1.0
253.05055	1.0
255.02969	6.7
255.06044	0.6
255.06520	0.6
256.03705	2.8
257.04578	1.5
261.03976	5.7
268.03949	0.6
269.04587	2.4
269.07254	0.5
273.04129	2.0
281.04456	2.0
282.01691	0.9
283.02499	1.8
283.06107	0.8
284.03131	0.6
285.04059	2.6
287.05594	27.9
288.05927	1.7
289.07153	20.6
290.07477	1.6
293.04620	0.5
295.06110	0.5
297.04208	0.8
297.07541	1.0
299.05566	3.9
307.12253	1.3
308.12292	0.5
309.04068	0.5
315.08743	0.8
327.05096	1.0
329.06830	0.7
337.06982	0.8
339.08679	1.8
341.06613	1.7
363.04840	0.6
365.06702	0.5
379.08142	0.5
381.09763	1.1
383.07480	0.7
387.04987	0.7
391.04504	1.0
395.07584	0.7
405.06110	5.0
407.07693	22.2
408.08231	1.3
413.08707	6.6
414.09341	1.0
417.06360	0.6
423.07123	4.5
425.08707	13.4
426.09180	1.0
449.08582	5.8
451.10272	8.6
452.10461	0.6
467.09705	1.0
525.08136	1.6
533.11322	1.4
543.09351	3.7
544.09576	0.8
557.10773	0.7
559.12280	1.3
561.10400	2.1
569.10663	1.0
575.11920	5.5
576.12439	1.0
577.13422	11.5
578.13861	1.5
587.12036	3.1
588.12085	0.6
616.12457	0.7
695.13916	7.1
696.14697	1.3
713.15216	3.7
739.16913	2.7
865.19226	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	865.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96213	1.3
66.71679	0.8
71.01377	6.6
73.02955	1.1
77.10226	0.8
78.98578	5.6
79.95737	18.8
80.96515	79.2
81.03457	1.2
85.02943	3.5
86.75991	0.9
87.00883	2.8
90.79337	0.8
90.95097	0.8
94.98085	18.9
96.95994	1.4
97.02966	1.2
98.28583	0.8
101.02452	2.0
106.98088	2.7
122.97577	3.9
125.02422	3.1
134.97575	6.9
136.99098	1.0
146.97678	1.0
148.99152	7.3
152.98611	6.1
156.96559	0.8
164.98621	12.1
178.78122	1.0
206.99702	3.1
225.00729	22.5
229.14444	0.9
236.11243	1.0
255.23288	1.8
258.61136	1.1
274.45038	0.9
303.76410	1.0
537.27820	1.5
609.25745	2.7
767.41333	0.9
865.49817	100.0
866.50012	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	867.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.6
64.99996	0.2
69.03448	0.7
70.44807	0.7
71.01376	8.1
72.99281	0.5
73.02955	1.6
75.00870	0.4
80.02669	1.2
81.03442	1.2
83.01389	1.0
83.05016	4.8
84.02159	1.0
85.02950	1.9
87.00877	2.0
89.02438	5.8
91.13619	0.2
95.01377	0.7
95.05013	0.8
96.96001	2.0
97.02937	1.0
99.00868	0.9
99.04522	0.3
99.20352	0.2
101.02438	6.3
106.04170	0.2
109.06586	0.3
109.81638	0.2
111.04521	0.5
113.02448	3.5
115.04006	0.2
119.03501	1.9
121.02872	0.2
123.00807	0.3
125.02452	2.8
125.06067	0.7
131.03510	0.4
135.08168	0.5
139.03999	0.3
143.03468	1.3
149.02356	0.3
150.03232	0.2
161.04532	2.3
163.11273	4.1
165.12837	2.6
167.03435	0.4
171.10254	0.3
179.05579	1.8
181.12299	0.6
190.80919	0.2
191.10754	1.0
195.06750	0.3
203.05531	0.2
209.11803	100.0
210.12157	5.1
221.06584	1.0
227.12862	15.4
228.13173	0.7
235.08208	1.7
247.13339	0.3
251.12752	0.4
253.09308	0.4
259.08047	0.3
259.15399	0.6
263.07635	0.3
287.07697	0.7
305.08771	1.0
312.99680	0.3
323.09872	0.8
324.67911	0.2
340.75415	0.2
343.04626	0.3
379.12411	3.7
380.12494	0.2
397.13467	20.5
398.13870	1.3
415.14505	5.0
416.14764	0.3
423.00208	0.2
443.65176	0.2
524.92303	0.2
572.50507	0.3
589.24872	1.2
607.25983	3.3
779.31055	0.3
789.42438	0.3
799.37207	0.7
867.44940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.4
68.98000	0.8
70.19876	2.0
71.01380	17.7
72.99298	1.6
73.02934	2.9
76.14449	1.0
83.01375	1.8
85.02937	3.6
87.00872	4.1
89.02448	16.8
92.43733	0.8
97.02934	3.5
99.00865	1.3
101.02435	11.6
109.44773	0.8
113.02446	7.9
119.03493	3.7
125.02447	7.3
125.09719	1.0
127.11246	1.1
143.03491	2.5
161.04553	4.6
171.10263	100.0
172.10577	3.0
179.05565	3.1
217.07109	1.9
217.68060	0.8
221.06564	1.3
235.08260	7.2
253.09245	1.6
255.23293	67.6
256.23639	4.7
259.08145	1.5
269.24899	1.0
269.64655	1.0
287.07657	3.0
295.22726	1.3
305.08765	2.4
323.09818	1.6
379.12399	20.3
379.16898	1.7
380.12674	1.5
397.13480	42.0
398.13885	2.9
414.88629	0.9
415.14536	7.0
551.23480	5.2
569.24445	3.6
635.36365	4.7
653.37421	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	869.384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13698	0.1
61.98532	0.2
61.98829	2.7
68.40835	0.1
71.01378	0.5
78.51923	0.1
78.95899	0.7
79.55209	0.1
79.95732	4.1
80.96505	0.2
85.02970	0.2
88.98795	0.5
96.96005	100.0
97.95949	0.4
97.96543	0.2
98.20665	0.4
101.02438	0.2
112.98577	0.4
113.02393	0.2
129.30974	0.1
171.10355	0.1
209.11775	0.2
229.44731	0.1
242.75452	0.1
290.64819	0.1
385.32629	0.1
421.94720	0.1
543.00836	0.1
723.65405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31544	0.1
61.98822	0.8
63.02397	1.1
65.00322	0.7
70.51405	0.4
71.01368	0.7
72.99300	0.2
83.01382	0.9
85.02954	0.5
85.29697	0.1
87.00872	0.4
89.02457	0.5
91.01897	0.4
93.03458	1.8
95.01369	0.4
96.96025	1.0
97.02960	0.2
99.00881	0.2
101.02443	0.6
107.01388	2.6
109.02952	0.7
113.02451	0.5
117.03464	4.3
119.03498	0.1
119.05035	1.5
121.02943	0.2
123.00824	0.3
123.04520	0.2
125.02437	0.7
131.05014	0.3
133.02939	0.3
135.00870	0.7
137.02437	0.4
141.07104	0.3
143.05019	1.3
145.02946	12.3
146.03290	0.4
148.01686	0.2
150.03188	0.3
151.00356	4.9
151.03976	0.4
152.00681	0.2
153.01917	0.3
154.04265	0.3
155.04971	0.4
156.05762	0.2
157.06567	0.7
159.04517	1.2
161.02481	0.4
161.06114	0.3
163.00371	1.9
163.03993	2.2
164.01099	0.6
165.01942	0.7
165.05589	0.2
167.05055	0.7
168.05753	0.2
169.01421	1.1
169.06645	0.9
171.04486	0.7
173.02382	0.3
173.05962	0.2
175.03931	0.2
182.03769	0.2
183.04507	0.5
184.05255	0.2
185.06052	2.3
187.03993	2.9
189.05560	1.2
195.04562	0.4
196.05133	0.2
197.06078	0.9
198.03172	0.3
199.04002	0.7
201.05571	0.9
206.56067	0.2
211.04022	1.6
212.04648	0.3
213.05531	2.0
214.02737	0.4
215.03491	0.4
223.04050	0.3
227.03505	3.7
228.03864	0.3
229.05046	9.6
230.05368	0.7
239.03456	1.1
240.04248	0.7
241.05028	1.4
243.02922	0.4
255.00197	0.2
255.02975	3.6
256.03668	0.9
257.04553	6.0
258.04922	0.3
267.03058	0.8
268.03625	0.2
277.07199	0.4
283.02499	0.4
284.03296	2.7
285.04031	100.0
286.04373	6.8
403.10062	0.3
579.33295	0.2
585.18243	10.1
586.18439	1.1
665.35107	0.4
725.19385	0.8
871.22668	2.7
871.39630	0.2
872.23175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.1
63.02393	1.3
64.95480	0.1
65.00310	1.1
67.01858	0.1
69.40452	0.5
69.40889	0.6
71.01376	0.4
73.02949	0.3
81.03473	0.3
83.01396	1.0
85.02952	0.4
89.02431	0.3
91.01897	0.5
93.03453	2.2
95.01373	0.3
96.96032	0.4
99.00872	0.2
101.02442	0.1
107.01385	2.8
108.02200	0.2
109.02937	0.9
117.03457	4.1
119.01344	0.2
119.05034	2.3
121.02972	0.1
121.45813	0.1
123.00842	0.3
123.04535	0.1
125.02441	0.8
127.04059	0.1
127.63651	0.1
130.04234	0.2
131.05038	0.5
132.02216	0.2
135.00874	0.9
137.02443	0.4
143.05032	1.2
145.02943	13.0
145.04918	0.4
145.06647	0.4
146.03278	0.4
147.00804	0.2
148.01649	0.2
150.99162	0.3
151.00356	5.0
153.01904	0.2
154.04260	0.4
155.05054	0.2
156.05754	0.3
157.06599	0.8
158.03709	0.2
159.04475	1.6
161.02434	0.3
161.06088	0.2
163.00366	2.1
163.03998	2.9
163.06087	0.2
164.01099	0.4
165.01904	0.6
167.04977	0.8
169.01405	0.4
169.06564	1.0
171.04550	0.9
173.02449	0.3
173.06052	0.3
175.04068	0.2
182.03714	0.2
183.04497	1.0
184.05089	0.2
185.06056	2.7
185.56390	0.1
187.03999	3.8
189.05496	1.0
195.04488	0.6
196.05254	0.4
197.06094	1.0
198.03181	0.1
199.03963	0.8
201.05563	0.7
205.05109	0.2
210.03131	0.1
211.03966	2.2
212.04651	0.4
213.05531	2.4
214.02704	0.4
215.03502	0.4
223.03973	0.2
227.03482	6.2
227.06953	0.2
228.04005	0.4
229.05031	11.8
230.05386	0.6
239.03462	1.4
240.04237	0.7
241.04990	1.9
241.90407	0.1
243.02965	0.3
255.02966	9.6
256.03583	1.7
257.04535	7.3
258.04953	0.4
267.03018	0.9
268.03842	0.2
269.04449	0.2
271.06036	0.8
277.07153	0.8
283.02466	1.6
284.03238	7.5
285.04016	100.0
286.04379	5.6
351.01788	0.6
403.10178	0.7
410.54651	0.1
417.12051	0.2
421.11938	0.1
585.18256	3.8
586.18579	0.4
707.18152	1.2
708.17975	0.2
725.19379	1.8
726.19537	0.2
755.67072	0.1
829.47900	0.2
871.22943	11.5
872.23175	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	871.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.4
63.02400	1.3
65.00315	0.7
71.01375	1.2
73.02959	0.3
74.12159	0.1
75.00879	0.3
83.01392	1.1
83.76588	0.1
85.02952	0.6
87.00897	0.2
88.98808	0.2
89.02449	0.5
91.01904	0.5
93.03453	1.8
95.01411	0.4
96.96013	0.9
97.02972	0.2
97.30954	0.1
99.00874	0.2
101.02436	0.5
107.01376	2.8
107.02042	0.2
109.02940	0.8
113.02441	0.5
117.03452	4.1
119.05027	1.7
119.64566	0.1
121.02997	0.2
123.00819	0.2
123.04518	0.2
125.02442	0.8
128.89565	0.1
131.05029	0.3
132.02184	0.2
133.02962	0.2
135.00906	0.9
135.04472	0.2
137.02425	0.4
141.07108	0.1
143.05020	1.1
145.02948	13.9
145.06548	0.3
146.03279	0.5
150.03217	0.2
151.00356	4.6
153.01930	0.3
154.04262	0.4
155.05013	0.3
156.05820	0.3
157.05429	0.2
157.06531	1.0
159.04478	1.2
161.02484	0.2
161.06136	0.3
163.00343	2.1
163.03999	2.6
163.06052	0.2
164.01149	0.3
165.01917	0.5
165.04056	0.4
165.05473	0.2
167.04973	0.3
169.01436	0.6
169.06595	0.7
171.04489	0.6
173.02341	0.2
173.06017	0.2
176.75667	0.2
183.04449	0.7
184.05222	0.2
185.06064	2.4
187.03992	3.1
189.05545	1.1
195.04541	0.6
196.05263	0.2
197.06033	0.8
199.03995	0.8
201.05559	0.7
211.03989	2.2
212.04642	0.3
213.05563	2.1
214.02650	0.4
215.03484	0.5
217.05064	0.2
223.04053	0.3
224.04599	0.2
227.03493	6.3
228.03926	0.5
229.05034	10.7
230.05362	0.6
239.03442	1.3
240.04257	0.8
241.05038	1.5
243.02957	0.3
255.02982	8.4
256.03635	2.0
257.04529	6.4
258.04922	0.3
267.02908	0.7
268.03687	0.2
271.06119	0.4
277.07141	1.6
283.02472	1.1
284.03250	7.2
285.04019	100.0
286.04355	5.8
403.10406	1.0
417.11774	0.3
435.13025	0.2
527.38501	0.1
566.08527	0.1
585.18585	0.9
645.63269	0.1
707.18945	0.7
725.19269	2.3
726.19678	0.3
739.87250	0.2
811.42725	0.2
871.22845	7.1
871.37921	0.4
872.23346	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	871.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.4
63.02396	1.8
65.00318	1.0
69.47009	1.6
71.01369	1.6
73.02914	0.2
75.00867	0.3
77.23901	0.2
78.74146	0.2
79.00266	0.2
79.95728	0.3
81.03482	0.2
83.01408	1.1
83.45607	0.2
84.14684	0.3
85.02957	0.8
87.00880	0.5
88.98795	0.4
89.02432	0.6
91.01906	0.3
92.01383	0.2
93.03456	2.3
95.01424	0.3
96.96009	2.8
97.02944	0.2
98.19962	0.5
98.95542	0.3
99.00843	0.4
101.02468	0.7
102.24297	0.2
106.53798	0.3
107.01389	3.7
109.02937	1.6
113.02448	0.5
117.03451	4.5
118.03743	0.2
119.05019	2.8
120.05394	0.3
121.02956	0.3
123.00840	0.3
123.04450	0.3
125.02428	1.0
127.03995	0.7
131.05014	0.5
132.02185	0.2
133.02928	0.3
135.00893	1.4
135.36327	0.2
137.02449	0.7
141.07126	0.3
143.05020	1.3
145.02948	11.4
145.05037	0.7
151.00365	5.7
151.03961	0.2
153.01923	0.3
154.04236	0.4
155.05037	0.4
157.06580	0.7
158.03610	0.2
158.89731	0.2
159.04529	2.1
163.00374	2.5
163.04001	3.4
164.01120	0.7
165.01923	0.7
165.04076	0.4
167.05006	0.8
169.01424	0.6
169.06551	1.1
171.04547	1.2
173.02409	0.4
173.06116	0.5
175.03969	0.3
183.04465	1.4
184.05333	0.3
185.06070	2.9
187.03993	5.5
188.04385	0.3
189.05569	1.2
195.04428	1.0
196.05219	0.5
197.06061	1.1
199.03947	1.0
201.05563	0.8
205.05019	0.4
209.11864	0.3
211.03981	2.4
212.04649	0.4
213.05554	2.3
223.03966	0.5
227.03493	8.6
228.03819	0.7
229.05037	13.4
230.05354	0.6
239.03435	1.9
240.04280	0.6
241.05077	2.0
243.03012	0.4
255.02974	16.0
256.03558	2.2
257.04535	7.9
258.04663	0.3
267.02927	0.9
268.03741	0.4
283.02463	3.6
284.00787	0.2
284.03253	10.6
285.04019	100.0
286.04337	6.5
577.95758	0.2
585.18152	5.3
586.18494	0.6
632.06689	0.2
707.18176	2.2
708.18494	0.3
725.19562	1.2
811.43427	0.3
871.22852	19.2
872.23578	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	871.363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03370	0.1
69.93411	0.3
69.93829	0.2
70.67397	0.1
79.95281	0.2
79.95722	1.8
84.04552	0.1
95.95219	0.5
96.96007	64.3
97.95950	0.2
98.95622	0.1
125.02380	0.1
142.75146	0.1
175.02473	0.2
275.09381	0.1
289.11206	0.5
307.12177	100.0
308.12509	5.4
308.16183	0.2
309.12061	0.1
453.17963	0.1
559.62634	0.1
802.50330	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.9
67.43270	0.9
69.03469	1.6
71.01379	15.6
71.16482	1.5
72.99291	1.5
73.02932	1.5
77.85128	0.9
79.38680	0.8
83.01374	1.3
84.65446	0.8
85.02943	3.5
87.00881	1.1
89.02442	12.1
95.05014	1.4
96.96004	2.6
97.02924	1.5
97.06567	4.1
100.50741	0.9
101.02437	9.0
111.00885	1.0
113.02434	3.8
119.03494	2.2
125.02499	1.8
125.09708	0.9
151.11267	12.3
161.04558	0.9
169.12329	42.7
169.96793	0.9
170.12697	1.6
209.11743	1.5
213.11284	5.5
221.06662	1.6
221.56880	1.0
235.08147	1.9
277.21713	31.9
278.22040	2.7
294.43436	1.0
339.31342	1.1
397.13498	3.4
415.14783	1.1
593.24475	1.4
611.25586	1.0
871.46875	100.0
872.47339	21.8
872.64136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	1.9
65.78628	0.8
68.99565	8.2
69.03467	1.2
71.01380	18.0
71.41612	1.0
71.41978	2.1
72.99295	1.3
73.02935	2.6
83.01385	1.0
85.02935	3.2
87.00852	2.6
89.02441	11.8
95.05023	1.0
96.94534	1.5
96.95994	3.6
97.02952	2.3
97.06583	2.2
99.00880	1.5
101.02441	10.4
101.57600	1.0
112.98548	8.0
113.02441	4.2
119.03474	1.9
121.65896	0.9
125.02468	2.3
151.11272	11.2
161.04591	1.3
169.12334	64.2
170.12712	2.3
179.05638	1.3
195.10208	1.1
209.61147	1.0
213.11314	9.6
213.67670	1.1
221.06657	3.2
235.08319	1.0
277.21716	16.1
293.21317	1.4
307.18942	1.4
397.13477	2.6
611.15802	1.0
611.25671	2.1
640.57654	0.9
645.68542	1.0
842.97406	1.1
871.46893	100.0
872.46979	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	873.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37868	0.7
71.01367	1.9
71.59332	1.0
72.99297	0.9
75.00855	0.8
79.95715	1.4
80.96521	1.1
85.02968	1.5
86.47908	0.7
89.02436	1.3
96.96004	14.6
101.02425	1.3
113.02431	1.3
151.04039	0.8
163.04051	0.7
185.52264	0.7
266.70456	0.8
270.98816	16.1
271.98981	0.7
283.99707	1.0
284.03098	0.7
285.00317	1.9
286.01065	1.3
289.11136	14.9
290.11401	0.7
298.98306	48.4
299.98700	3.2
312.99725	4.0
314.00665	76.8
315.01172	4.2
329.02994	100.0
330.03284	6.4
408.98672	72.1
409.98984	4.8
543.05750	0.9
611.77100	0.7
709.27417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39812	0.2
63.11199	0.2
65.08904	0.2
69.27119	1.7
71.01376	0.2
79.08384	0.2
79.95731	11.3
80.96532	0.9
96.96001	2.1
98.20657	0.4
121.02953	1.9
135.04564	0.3
145.02927	0.5
147.04529	0.5
159.02527	0.2
159.04527	0.3
192.07957	0.4
235.09686	0.3
238.06635	0.2
239.10820	0.2
240.04247	0.3
241.08534	0.3
251.07159	0.2
253.08719	0.2
254.05630	0.2
255.10156	1.0
265.08624	0.3
269.08170	14.1
270.08499	0.8
270.12552	0.4
271.09753	0.6
281.08142	2.2
282.08511	0.2
283.09747	4.2
284.10144	0.4
291.12677	0.8
294.08981	0.2
295.09729	0.6
296.10474	0.7
298.08527	0.3
298.12073	0.6
299.09216	9.1
300.09583	0.8
309.11267	0.3
310.12012	0.5
311.09225	11.8
312.09677	1.0
313.10886	0.5
314.11563	16.9
315.11832	1.5
325.10727	1.8
326.11551	11.1
327.11963	0.8
329.13910	39.6
330.14264	3.7
341.13901	14.5
341.17020	0.3
342.14032	1.1
409.09756	2.7
410.09436	0.3
439.10623	100.0
440.10959	8.9
441.10260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.229
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02389	1.5
63.86366	0.4
65.00313	3.4
65.47900	0.5
70.89194	0.4
71.01378	1.4
71.60092	0.4
71.60465	0.6
72.67166	0.5
73.02937	1.1
77.58152	0.5
82.39554	0.4
83.01382	2.4
85.02952	0.6
91.01906	0.7
93.03471	0.6
94.37212	0.4
96.96014	3.5
101.02422	1.3
107.01385	6.2
108.02166	1.6
109.02967	3.2
113.02454	0.8
116.92871	0.5
119.01347	0.5
121.02947	4.2
124.01664	0.7
125.02434	1.1
135.00906	0.8
145.02968	0.5
145.08684	0.4
148.01669	1.2
149.02374	0.7
151.00357	26.2
152.00797	1.0
159.04449	0.8
161.02383	0.5
163.00352	5.4
164.01086	0.6
169.01445	1.3
175.04066	0.5
178.99843	12.1
183.04459	0.9
187.04005	0.9
190.99876	1.0
192.00636	0.5
193.01358	0.8
199.04002	0.9
203.03494	0.7
211.04054	2.2
215.03464	1.0
216.04317	0.6
226.02702	1.3
227.03442	3.5
229.05048	1.5
239.03494	0.9
242.01711	0.5
243.02950	12.5
244.03490	0.8
245.04451	2.2
254.02112	2.7
255.02943	31.6
256.03336	2.2
258.05048	0.5
271.02444	61.6
272.03015	4.5
273.04044	1.9
283.02386	2.2
285.03751	0.6
299.02026	2.2
300.02722	100.0
301.03461	59.1
302.03943	4.0
305.10712	2.7
473.18204	0.7
533.20270	1.5
873.22949	70.3
874.23218	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	873.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	7.2
66.70083	4.0
69.90963	7.3
69.91369	15.0
71.01379	14.1
107.26367	3.8
113.06100	9.2
123.50211	3.7
165.18199	4.0
171.10176	4.5
199.09766	15.7
207.10257	15.8
209.11871	6.8
225.11322	12.7
235.08173	7.4
253.09317	9.3
277.21722	100.0
278.21951	4.6
370.42444	4.3
435.18710	5.4
633.60211	5.0
695.39581	9.4
721.41541	5.8
722.42456	4.6
766.87085	4.7
873.48029	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	875.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41646	0.8
65.03951	1.3
67.01880	0.9
69.03452	2.6
71.01374	3.2
77.03947	1.0
78.82646	0.8
79.57714	0.9
80.96511	1.0
81.03450	11.4
83.01386	12.9
83.05025	1.3
85.02940	1.7
87.00864	1.1
93.03422	4.4
95.01353	2.4
95.05032	5.8
96.96007	12.6
97.02942	10.2
99.04518	6.1
101.02444	1.9
107.05017	2.6
109.02946	8.2
111.04432	1.0
113.02420	2.0
121.02969	6.9
121.06574	0.8
122.03714	3.7
123.00858	1.4
123.04546	5.6
124.01659	2.5
125.02444	57.2
126.02725	1.5
131.05066	1.9
133.02950	2.2
135.04514	4.1
136.62556	0.8
137.02440	94.9
138.03029	1.9
139.03987	4.0
145.02928	1.6
145.06575	1.0
146.03734	17.4
147.04422	2.1
149.02370	2.0
149.06033	2.6
150.03177	3.7
151.00244	0.9
151.04030	8.0
154.08769	0.8
157.06554	1.6
158.03740	1.5
159.04524	7.0
160.05257	1.4
161.02364	1.4
161.06053	2.4
162.03207	1.5
163.00357	1.6
163.04008	2.0
163.07574	1.1
164.01147	28.6
165.01921	70.7
166.02258	2.4
167.03487	66.0
168.03783	2.5
168.41133	0.8
172.05302	4.6
173.06049	22.1
174.03220	7.8
174.06808	6.5
175.02628	1.2
175.03984	2.7
175.07635	30.0
176.04758	5.9
176.08083	1.2
177.01924	12.0
177.09134	0.9
179.03503	19.2
179.10684	1.2
181.05014	1.8
182.02271	0.9
185.06076	1.9
186.06880	1.2
187.03928	2.9
187.07637	7.4
188.04739	4.8
189.05519	1.7
189.09254	5.2
190.02661	5.0
191.03484	2.0
191.05571	1.1
191.07141	1.2
197.04518	1.2
199.07619	3.3
200.04794	5.4
200.08331	1.0
201.05524	4.0
201.09225	6.8
202.06328	2.7
203.07117	14.2
204.04257	2.5
205.08640	5.2
211.03903	1.5
211.07524	1.7
212.04781	2.0
213.05318	1.0
213.09239	1.7
214.06323	1.2
215.07042	2.8
216.07849	1.1
217.05305	1.8
217.08679	48.4
218.08983	2.6
223.07639	1.7
223.09680	1.6
224.04758	0.8
225.05540	3.9
226.06328	3.5
227.07144	2.7
227.10684	0.9
229.08687	33.0
229.12204	1.6
230.09013	2.4
237.05603	1.3
237.09143	1.7
239.06990	2.8
239.10831	4.9
240.07872	1.4
241.08699	4.5
243.06451	1.2
244.07330	2.2
247.09738	7.3
251.07028	2.7
252.07742	1.8
253.12236	1.1
254.05798	1.7
254.09412	2.2
255.10193	4.0
257.08041	1.2
257.11716	2.3
265.08652	2.1
268.07266	3.5
269.07983	1.1
270.09003	1.7
273.11346	1.5
279.10074	1.2
280.10861	1.2
281.11835	9.0
283.09686	3.9
289.08151	0.9
289.11075	6.7
294.08862	3.3
295.09738	1.1
295.13306	1.3
296.06891	1.4
297.11334	4.1
298.98288	1.4
299.12820	6.9
301.10751	1.2
309.27872	0.9
311.99185	5.1
314.00729	4.2
320.06763	1.2
323.12881	24.9
324.13208	2.0
325.10699	1.7
327.01523	7.7
328.01721	1.1
329.02960	4.7
330.03149	1.2
341.10010	3.0
341.13882	4.4
349.10904	7.2
367.11816	100.0
368.12158	9.4
385.12897	76.9
385.16702	1.0
386.08578	0.9
386.13199	7.4
408.98706	3.1
449.11835	1.1
511.50186	1.0
553.18927	1.1
638.44220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.8
68.96842	0.4
69.03458	4.3
69.41774	0.7
69.42173	2.5
71.01378	12.7
71.05011	1.2
72.99296	0.8
73.02944	2.0
75.00851	0.6
80.96516	0.5
81.03444	0.6
83.01376	1.2
83.05029	0.6
85.02934	2.8
87.00873	2.1
89.02438	8.5
91.49876	0.4
93.03442	0.6
95.01365	1.3
95.05029	0.6
97.02940	1.4
97.06564	0.9
98.20625	0.8
99.00869	0.8
101.02433	7.7
109.02940	0.6
111.04507	0.5
113.02457	3.4
113.19109	0.4
117.28197	0.4
118.92642	0.4
119.03501	2.6
123.08148	1.2
125.02399	1.7
125.09706	1.4
135.89438	0.4
136.89168	0.8
137.02454	0.6
137.09689	0.4
141.02013	0.5
143.03502	0.5
149.09714	0.4
151.11259	1.7
153.12817	0.9
161.04494	0.7
161.09668	2.3
175.19444	0.4
179.10753	5.5
197.11810	35.3
198.12190	1.4
209.11786	1.1
221.06653	1.5
223.09792	0.8
235.08145	1.2
241.10757	1.6
242.11455	0.4
255.23271	43.2
256.23602	3.1
269.24902	0.4
397.13455	2.5
415.14600	1.0
415.95474	0.4
524.96088	0.4
859.46564	0.6
877.47943	100.0
878.48230	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	879.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.7
63.96227	2.4
69.03452	0.8
71.01379	9.9
72.99306	0.6
73.02961	2.4
76.48982	0.4
78.98583	8.8
79.95731	50.1
80.96510	100.0
81.03449	0.5
85.02940	3.3
87.00865	3.9
94.83266	0.4
94.98079	22.9
96.96002	2.4
97.02934	2.4
98.20655	1.0
99.00887	0.5
101.02442	2.7
106.98077	4.3
107.77754	0.4
113.02431	0.6
122.97581	7.3
125.02425	3.3
127.03990	0.9
134.97572	8.3
136.99115	2.0
148.99141	7.8
152.98619	8.0
161.04497	0.6
164.98605	15.7
167.00220	0.5
171.10245	1.9
188.98599	0.6
195.86089	0.4
206.99664	4.6
224.00009	1.2
225.00716	27.1
241.00206	1.9
255.23311	2.6
255.96878	0.4
283.04852	1.5
341.05258	2.1
354.71112	0.4
355.06989	1.0
397.11401	0.8
411.13324	0.7
425.14777	2.1
453.14407	3.0
454.00232	0.4
537.27441	4.1
544.67041	0.4
609.29492	0.9
637.32434	0.9
651.33978	0.7
659.71973	0.5
679.37225	0.9
709.38300	61.5
710.38751	8.1
737.41113	4.5
765.40839	8.0
766.41168	1.0
781.40210	5.7
782.41071	1.0
879.47845	42.4
880.48199	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	879.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	16.8
63.96219	1.7
69.03468	1.1
70.31397	2.9
70.31749	1.0
71.01382	12.0
73.02917	3.3
78.98587	8.4
79.95733	49.0
80.96513	100.0
85.02927	4.1
87.00861	4.3
94.98085	20.4
96.95998	2.0
97.02924	2.3
98.20565	1.3
101.02404	2.9
106.98072	4.0
109.68412	1.2
122.97588	8.9
125.02404	4.3
127.03973	2.0
134.97621	7.5
136.99153	2.6
148.99153	12.2
152.98625	9.2
164.98630	14.7
171.10196	1.7
206.99644	4.6
213.98396	1.1
225.00731	30.1
241.00267	1.4
255.23322	2.9
337.77646	1.2
341.05380	2.5
425.14749	2.9
453.14178	3.0
537.27148	4.2
609.29291	1.5
659.28455	1.2
679.37164	1.5
709.38306	70.9
710.38513	7.9
735.39813	6.1
737.40027	5.3
765.41003	6.7
781.40063	8.8
782.40637	1.1
879.47998	55.7
880.48083	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	879.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.7
66.87573	0.3
68.99821	0.8
69.03465	1.4
69.11894	0.3
71.01379	100.0
72.01711	1.0
72.99307	1.2
73.02946	3.6
75.00843	0.7
80.02675	0.4
81.03455	1.2
83.01386	1.6
83.05026	1.0
84.02184	0.4
85.02941	4.7
85.03403	0.5
87.00865	4.2
89.02438	11.1
95.01380	1.6
95.05039	1.0
97.02943	4.5
97.06619	0.5
98.19881	1.0
99.00908	2.3
101.02435	10.9
109.06589	7.3
110.03741	0.4
111.00898	1.0
111.04521	0.4
113.02444	6.3
115.03989	0.4
119.03505	3.2
121.06611	0.9
123.04472	0.5
123.08218	0.4
125.02450	4.5
125.09738	1.5
127.11263	0.9
131.03540	0.5
133.05046	0.5
135.08156	1.4
136.05255	0.6
137.09782	0.3
139.04086	0.5
139.07750	0.4
141.01938	1.1
142.02731	0.7
143.03514	2.0
145.05029	0.3
149.04550	0.3
153.09309	0.4
155.10786	0.9
161.04546	2.7
161.09750	0.7
163.11284	5.4
164.11649	0.4
165.09213	0.4
167.03557	0.3
171.10258	15.1
179.05582	2.9
179.10808	0.7
181.08252	0.3
181.12329	2.4
185.11798	1.2
189.09189	0.7
197.11868	0.5
197.88310	0.3
199.06010	0.3
199.09694	1.2
199.13341	0.4
201.11324	10.1
203.05684	0.7
207.10249	24.1
208.10594	1.1
209.11885	0.4
215.12903	1.1
217.07063	0.6
221.06659	1.2
225.11298	18.8
226.11670	0.9
229.40974	0.3
235.08200	3.6
243.12340	1.7
245.06552	0.5
253.09262	1.1
255.23274	44.2
256.23602	2.6
263.07816	0.5
269.24960	0.4
277.21640	0.9
278.45828	0.4
287.07751	1.1
305.08801	1.1
323.09897	0.8
366.78098	0.3
379.12439	4.1
397.13452	23.7
398.13773	1.7
415.14566	5.9
419.35745	0.4
439.14828	1.7
537.37933	0.4
551.23248	0.6
605.24774	2.4
623.25439	2.3
653.37671	1.1
835.46759	0.5
861.48413	11.2
862.49115	3.5
879.49506	3.9
880.49225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.3
63.96232	2.3
69.03452	0.7
70.05774	1.7
70.06197	2.1
71.01378	8.9
73.02941	2.5
78.98594	6.6
79.95736	26.2
80.96514	85.2
81.03444	0.8
85.02927	3.4
87.00863	3.1
94.98084	20.7
96.95990	1.7
97.02940	2.3
99.00906	1.4
101.02442	2.8
106.98086	3.3
118.92557	0.7
122.97556	4.4
124.25163	0.9
125.02474	3.4
127.03973	1.5
134.97571	6.3
136.99121	1.8
148.99133	8.1
149.09801	0.9
152.98615	6.9
159.75551	0.7
161.04576	0.9
161.72363	0.7
162.12692	0.7
164.98616	14.2
167.00093	0.7
202.18115	0.7
206.99666	2.7
225.00729	25.5
225.17442	0.7
255.23190	2.6
283.04846	1.9
341.05682	1.0
391.27084	0.8
411.13306	1.6
418.03476	0.9
482.73642	0.7
537.27228	1.4
623.26611	1.3
692.38312	0.8
709.37811	1.4
720.35883	0.7
735.40002	2.7
762.25256	0.8
777.42065	1.0
781.40485	1.5
815.88116	0.9
842.08557	0.8
861.47333	2.0
879.51031	100.0
880.51318	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	883.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.7
68.99819	1.4
69.03447	1.7
71.01377	100.0
72.01727	1.2
72.99327	1.1
73.02937	5.3
73.09477	1.2
75.00870	1.1
80.02639	1.5
81.03448	3.4
83.01389	1.9
83.05022	4.7
85.02960	6.5
87.00881	4.4
88.98828	1.4
89.02446	11.0
95.01380	2.0
95.05032	2.2
96.95998	8.8
97.02952	3.6
99.00868	3.3
101.02441	10.7
106.41015	1.2
109.02914	1.4
109.06593	8.2
110.03718	1.2
112.98804	2.6
113.02464	5.7
114.80244	1.2
119.03492	4.2
125.02429	7.0
125.09732	1.9
135.08131	1.5
143.03482	3.5
156.20493	1.3
161.04530	3.1
161.09682	1.6
163.11282	11.7
165.12813	2.0
171.10268	13.6
179.05586	3.5
181.12337	3.5
185.11781	1.3
190.23993	1.2
191.10808	1.6
201.11322	5.2
207.10243	27.1
209.11806	76.3
209.25313	1.0
210.12164	6.7
221.06650	2.8
225.11307	22.4
227.12886	8.0
231.10158	1.2
235.08293	2.2
243.12384	2.6
273.17023	5.0
274.17419	2.8
275.17474	1.5
296.75586	1.2
300.02667	1.1
379.12207	2.2
397.13461	18.9
398.13849	1.7
399.21564	1.5
415.14420	8.0
417.22443	2.0
475.82022	1.3
605.24469	2.8
623.25604	3.6
663.37335	2.3
683.67340	1.3
797.36084	3.4
815.36841	3.2
820.34326	1.5
833.37872	6.6
834.38544	3.1
851.38641	1.9
883.42358	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	883.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	5.2
69.03453	1.7
71.01378	23.3
71.58334	0.5
72.99299	2.1
73.02946	3.2
75.00846	0.5
79.59181	0.3
80.02688	1.3
81.03452	3.6
83.01382	2.0
83.05016	3.5
84.02169	0.7
85.02947	6.9
85.75458	0.4
87.00874	5.8
89.02439	17.6
91.04025	0.6
93.03458	1.0
95.01404	2.4
95.05033	0.7
97.02949	11.8
97.06586	0.6
99.00876	3.0
99.04546	0.5
101.02441	16.8
106.04211	0.5
107.05029	1.4
109.02919	0.8
109.06588	32.9
110.03721	1.2
110.06908	0.8
111.00867	0.8
111.04512	1.0
113.02446	9.6
114.02766	0.5
114.05930	0.4
115.03999	0.6
119.03504	5.0
121.06602	2.5
121.76715	0.4
123.04485	1.0
124.01626	0.4
125.02449	7.8
125.09708	1.2
127.03999	0.4
131.03546	0.8
133.05046	0.5
135.08171	5.2
136.05264	2.1
137.02477	0.4
139.03961	0.6
140.49405	0.4
141.01936	2.1
142.02711	2.7
143.03490	2.7
145.10229	1.2
149.04585	0.6
155.14497	0.4
155.60915	0.4
161.04559	3.8
161.09688	2.0
163.11282	20.1
164.11610	0.7
165.09198	0.4
179.05615	5.6
179.10747	0.6
181.12354	5.0
189.09212	2.2
199.06049	0.5
201.11333	2.5
202.11653	0.8
207.10245	100.0
208.10608	4.8
209.11797	5.4
210.12141	1.5
217.07028	0.5
221.06671	3.1
225.11301	48.8
226.11641	2.5
227.12909	0.8
228.13115	0.4
235.08205	6.2
243.12343	1.5
249.11395	0.6
253.09256	1.3
255.23276	2.4
256.23569	1.5
257.23865	0.6
263.07742	0.8
277.21704	54.0
278.22031	3.7
281.13971	0.5
287.07651	1.8
299.15070	1.5
305.08713	2.2
323.09854	1.4
379.12457	7.1
397.13470	40.6
398.13870	3.7
399.13956	1.1
415.09006	0.7
415.14532	12.3
416.14801	0.8
441.33887	0.9
443.19000	1.1
461.20395	0.7
485.32898	0.6
561.55811	0.4
563.24054	0.4
587.23376	1.6
605.24408	8.7
606.24854	0.8
623.25494	8.4
624.26105	0.9
675.35645	0.5
865.45892	1.4
883.46906	56.0
884.47156	12.5
884.64819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	5.6
65.76434	0.7
66.31798	0.7
66.46523	0.6
69.03459	2.4
71.01379	26.4
71.58262	0.9
72.99313	1.5
73.02943	3.7
75.00902	0.7
80.02666	1.6
81.03442	3.3
83.01385	2.8
83.05022	2.9
83.40249	0.6
84.02183	0.8
85.02949	6.5
85.79385	0.6
87.00882	6.1
88.80428	0.6
89.02441	21.5
93.03458	1.0
95.01398	2.5
95.05021	1.1
97.02937	12.6
99.00890	3.5
101.02441	17.3
107.05023	1.3
109.02963	0.8
109.06585	29.8
110.03741	1.3
110.06950	0.8
111.04504	1.2
113.02446	10.9
117.51605	0.8
119.03491	5.8
121.06544	1.6
123.04519	1.1
125.02449	7.4
135.08153	3.0
136.05293	2.1
141.01900	1.8
142.02693	2.7
143.03488	3.2
145.10268	0.7
149.98093	0.7
161.04550	4.2
161.09731	1.6
163.11279	17.8
179.05606	5.1
179.10725	1.1
181.12312	4.1
189.09207	1.5
201.11331	2.8
202.11688	0.8
207.10243	100.0
208.10620	3.4
209.11807	5.9
210.12094	1.7
217.07045	1.2
221.06682	2.2
225.11302	37.6
226.11632	1.3
235.08246	7.7
243.12341	1.8
253.09276	1.4
255.23212	2.1
256.23581	1.8
275.20377	0.7
277.21707	67.6
278.22015	5.5
287.07669	1.6
305.08823	2.9
323.09924	1.8
379.12390	8.2
380.12891	1.1
381.97308	0.7
397.13483	54.4
398.13818	4.9
415.09048	0.8
415.14545	12.7
416.14899	0.7
587.23163	1.5
605.24481	5.8
623.25494	4.6
675.36169	2.3
705.89276	0.7
711.73474	0.8
865.45416	1.6
883.46857	57.9
884.47083	10.8
917.64459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58241	4.3
71.01391	2.9
73.02934	0.9
80.96484	0.6
83.01360	1.0
85.02949	1.2
89.02412	1.6
90.30573	0.6
93.77282	0.7
96.96003	7.0
98.19833	1.0
99.00903	0.6
101.02438	1.7
109.30668	0.7
112.77658	0.6
113.02433	1.5
116.06462	0.7
120.99638	0.7
125.02411	0.6
137.02466	1.5
159.39789	0.6
208.53685	0.6
270.98807	16.7
271.99280	1.2
283.99863	0.9
290.24365	0.7
298.98291	46.9
299.98587	3.8
312.99930	2.4
314.00653	70.9
315.01013	5.9
316.01132	0.8
329.02985	100.0
330.03351	8.7
406.78693	0.7
408.98660	69.3
409.98935	7.1
410.98499	1.5
445.27945	0.6
732.92883	0.8
825.41797	1.0
843.42798	0.8
885.34863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.7
71.01386	1.0
71.59541	0.4
75.00865	0.7
79.95728	0.2
85.02962	0.5
87.00858	0.2
88.98801	100.0
89.02429	0.5
89.99167	0.5
95.01353	0.2
96.96012	3.9
99.00899	0.3
100.38152	0.2
101.02438	0.7
113.02449	0.6
211.83981	0.2
264.10767	0.2
269.03607	0.2
330.90152	0.2
550.19995	0.3
615.41266	0.2
690.46667	0.2
767.27069	0.2
795.45355	8.0
796.45172	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	885.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49298	0.1
69.03471	0.8
69.41837	0.5
69.42257	0.7
71.01377	12.2
71.05014	0.2
72.01752	0.2
72.99306	1.0
73.02935	2.0
75.00890	0.3
80.02680	1.2
81.03451	1.8
83.01373	1.5
83.05022	5.2
83.05533	0.3
84.02155	0.8
85.02943	3.0
87.00340	0.1
87.00871	3.3
89.02437	10.8
90.02783	0.2
93.03436	0.3
95.01379	1.0
95.05000	0.6
95.61915	0.2
97.02938	2.2
98.19888	0.3
99.00881	0.6
99.04520	0.2
101.02435	9.6
109.02943	0.3
109.06573	0.3
111.00890	0.2
111.04504	0.5
111.08086	0.2
113.02441	5.9
113.06024	0.2
119.03490	2.8
121.02962	0.2
124.01628	0.2
125.02437	5.3
125.06068	0.4
129.01895	0.2
131.03505	0.4
133.05009	0.4
135.08168	0.7
137.02419	0.2
139.04002	0.4
141.01964	0.3
143.03493	2.0
147.11794	0.2
149.04541	0.3
161.04535	2.9
163.11276	3.9
165.12836	2.6
167.03391	0.3
179.05586	3.3
181.12346	0.5
184.08777	0.2
185.04559	0.3
191.10789	1.0
199.06113	0.4
209.11801	100.0
210.12132	4.0
217.07104	0.7
219.04993	0.2
221.06644	1.6
227.12862	10.3
228.13170	0.4
235.08197	4.6
245.06570	0.4
251.12895	0.4
253.09239	0.9
259.08197	0.4
263.07681	0.4
269.06693	0.2
275.20148	0.2
277.21686	41.7
278.22025	2.9
287.07620	1.7
291.23380	0.3
301.09363	0.3
305.08807	1.7
323.09659	1.1
348.48322	0.2
361.11322	0.3
379.12424	6.7
380.12497	0.4
397.13446	31.0
398.13745	1.7
415.14536	8.0
416.14978	0.4
589.25256	0.8
607.26007	1.7
658.00568	0.2
675.36053	0.2
854.50092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99845	0.2
69.03453	1.0
71.01379	14.9
71.14877	0.3
71.15185	0.2
72.01734	0.2
72.99308	0.8
73.02945	2.4
74.29695	0.2
75.00864	0.4
80.02676	1.3
81.03454	2.0
82.60680	0.2
83.01382	1.8
83.05022	5.4
84.02161	0.7
85.02947	4.1
87.00877	3.7
89.02443	13.0
91.04021	0.2
93.03455	0.3
95.01387	1.3
95.05028	0.8
97.02946	2.6
97.06566	0.3
99.00894	0.8
99.04542	0.2
101.02442	12.2
102.02791	0.2
109.02942	0.3
109.06577	0.5
111.00871	0.3
111.04581	0.4
112.98507	0.2
113.02447	7.0
115.04008	0.2
119.03497	3.5
121.02946	0.3
124.01614	0.2
125.02446	5.6
125.06075	0.5
125.09693	0.2
127.04033	0.3
127.07653	0.2
131.03516	0.6
133.05035	0.5
135.08188	0.7
139.03995	0.6
141.01932	0.3
143.03499	2.1
145.05061	0.2
149.04565	0.4
161.04564	2.8
163.09898	0.2
163.11281	3.5
163.12550	0.3
165.12830	2.4
167.03477	0.4
174.12651	0.2
179.05591	3.4
181.12302	0.5
185.04507	0.4
186.80653	0.2
191.10756	0.9
199.06125	0.4
203.05652	0.4
205.19826	0.2
209.11819	100.0
210.12141	4.7
210.14224	0.2
217.07178	0.6
219.00803	0.2
221.06668	1.4
227.12872	11.7
228.13156	0.6
233.22751	0.3
235.08220	4.7
245.06651	0.4
251.12837	0.5
253.09209	0.8
259.08240	0.5
259.20685	0.2
263.07739	0.4
270.72986	0.2
275.20096	0.3
277.21701	50.6
278.22009	3.4
287.07654	1.4
291.23370	0.4
305.08786	1.5
323.09793	1.0
361.11298	0.3
379.12469	6.9
380.12442	0.4
397.13483	38.1
398.13721	2.1
415.14554	8.9
416.15021	0.6
577.63055	0.2
585.68085	0.2
589.25189	0.6
603.63031	0.2
607.26312	0.8
654.21295	0.2
675.35431	1.0
719.02734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	2.5
65.00317	5.2
66.97130	0.3
69.31242	1.1
69.31671	1.6
71.01376	0.5
79.18177	0.3
83.01384	4.2
85.02953	0.5
91.01902	0.5
93.03471	1.4
95.01404	0.3
96.95992	0.6
101.92779	0.3
107.01384	12.2
108.02184	1.3
109.02948	4.3
109.59158	0.3
117.03437	1.8
119.01362	0.8
119.05009	6.5
121.02941	8.1
123.00846	0.4
125.02451	0.8
133.02934	0.9
135.00858	1.4
137.02457	0.5
139.04001	0.4
143.04985	0.7
145.02957	3.3
145.05069	0.5
146.03792	0.3
147.00879	0.6
148.01646	1.9
149.02425	1.6
151.00354	46.2
152.00793	0.7
155.05009	0.4
157.06589	0.6
159.04462	1.7
161.02397	0.8
161.06075	0.5
163.00359	5.1
163.03999	5.5
164.01169	1.6
165.01933	0.4
169.01375	1.3
169.02783	0.4
171.04504	1.1
173.02357	0.3
173.06017	0.5
174.03229	0.3
175.00439	0.3
175.04012	1.4
178.99840	21.7
179.10814	0.3
180.00237	0.5
183.04489	1.3
185.02525	0.4
185.06161	0.3
187.03983	2.3
189.05473	0.4
190.99817	0.6
192.00713	0.5
193.01439	0.6
199.04007	3.1
201.01939	0.9
201.05502	1.4
203.03485	1.2
211.03973	2.5
212.04861	0.4
215.03482	1.7
216.04222	0.7
226.02655	1.8
227.03481	6.6
228.04048	0.8
229.05003	1.8
239.03447	1.0
243.02963	12.9
244.03450	1.0
245.04512	2.7
254.02153	2.3
255.02963	29.7
256.03467	1.8
257.04553	1.1
266.02164	0.4
271.02451	69.1
272.02951	5.5
273.04013	2.9
283.02356	1.9
284.03235	0.6
285.03934	1.4
299.01959	16.7
300.02722	78.4
301.03482	100.0
302.03879	5.2
369.62009	0.3
501.19766	0.6
529.85229	0.3
556.24310	0.3
585.18341	0.4
723.17383	3.4
724.18848	0.6
741.18658	8.3
742.18536	0.5
887.22406	61.9
888.22632	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	887.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	3.0
65.00316	6.7
69.51663	3.7
70.25330	0.5
71.01353	1.0
83.01381	4.5
85.02964	1.2
93.03455	1.7
95.01412	0.9
96.96030	2.4
99.52467	0.6
101.02409	0.8
107.01391	13.5
108.02191	2.6
109.02943	4.2
112.42039	0.6
113.02467	0.9
117.03467	2.9
119.05023	9.3
119.05812	0.8
121.02951	10.3
124.01594	0.6
125.02464	1.1
133.02992	0.9
135.00888	1.6
139.04005	0.8
145.02953	3.0
145.05055	0.9
147.04495	0.9
148.01651	1.5
149.02449	1.8
151.00362	52.0
152.00752	1.6
159.04506	1.5
161.02426	1.0
162.62234	0.5
163.00368	5.1
163.03976	5.9
164.01108	1.9
166.02428	0.5
167.05034	0.8
169.01387	2.1
171.04498	1.6
175.04027	1.2
178.99843	23.5
183.04510	0.9
185.05939	0.6
187.03967	3.6
189.05701	0.5
190.99844	0.9
192.00546	1.0
193.01393	1.2
197.02554	0.5
198.03221	0.7
199.04010	3.9
201.01892	1.1
201.05499	1.2
203.03448	0.8
211.04024	2.2
213.01920	0.6
215.03516	2.3
226.02686	2.4
227.03485	5.8
228.03999	1.0
229.04985	1.9
239.03537	1.5
240.04160	0.5
243.02963	15.5
244.03494	1.1
245.04515	3.8
254.02374	2.5
255.02980	35.4
256.03458	2.3
257.04465	0.7
271.02469	88.2
271.05850	3.9
272.02896	6.9
273.04095	2.9
283.02463	2.0
285.03912	1.4
299.01971	23.4
300.02731	94.9
301.03497	100.0
302.03729	5.3
343.04614	0.7
351.01791	2.7
723.17780	2.3
741.18781	5.5
847.03949	0.6
887.22369	74.7
888.22827	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	887.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.5
63.02385	2.4
65.00319	5.3
69.48244	3.1
71.01385	1.2
83.01378	3.4
85.02944	0.9
88.25314	0.4
89.02427	0.6
93.03452	1.8
96.96014	2.4
98.19901	0.7
101.81178	0.4
107.01385	11.4
108.02192	1.8
109.02946	4.8
113.02394	0.5
117.03432	2.2
119.01368	0.7
119.05016	5.6
120.45763	0.4
121.02946	9.3
122.72887	0.4
123.00916	0.5
124.01607	0.5
125.02398	0.8
133.02948	0.8
135.00877	1.5
135.04454	0.6
139.04053	0.5
145.02965	3.2
147.00816	0.5
148.01704	1.3
149.02405	1.3
151.00356	44.3
152.00737	1.5
159.04497	1.3
161.02434	1.6
163.00359	4.7
163.04015	3.8
164.01126	1.5
165.01984	0.9
167.04977	0.4
169.01428	1.9
171.04488	0.5
175.04044	1.0
178.99844	21.3
183.04460	1.0
185.06142	1.0
187.03999	2.1
190.99867	0.9
192.00690	1.0
193.01387	0.8
198.03236	0.5
199.03911	2.8
201.01926	0.6
201.05504	1.5
203.03477	1.3
211.03987	2.8
213.01797	0.4
215.03500	1.4
216.04263	0.6
225.07634	0.4
226.02757	2.3
227.03484	6.8
228.03931	0.6
229.01233	0.6
229.04967	3.2
239.03389	0.9
240.04230	0.6
241.04901	0.5
243.00421	0.6
243.02963	9.9
244.03546	0.8
245.04562	3.1
254.02145	1.5
254.64565	0.4
255.02971	24.6
256.03397	2.3
257.04535	1.4
271.02451	52.9
272.03040	3.0
273.03973	2.5
283.02386	2.5
284.03085	0.6
285.04025	8.8
286.04398	0.8
299.01944	14.4
300.02713	68.7
301.03488	100.0
302.03885	4.7
363.93277	0.4
363.97702	0.5
447.07645	0.9
484.70145	0.4
499.21954	0.4
542.77399	0.4
601.18231	0.9
723.17822	1.9
741.18842	13.1
742.19061	1.8
787.66345	0.5
856.43127	0.4
887.22394	54.6
888.22809	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	887.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.8
68.99796	0.3
69.03452	0.7
69.26556	0.2
71.01380	15.5
71.05000	0.3
72.99306	1.5
73.02944	2.5
75.00872	0.4
76.77735	0.2
77.27150	0.3
80.02667	1.1
80.83418	0.2
81.03442	1.8
83.01371	2.3
83.05019	4.6
84.02160	0.7
85.02952	3.6
87.00871	4.2
87.04555	0.2
89.02439	12.8
91.04014	0.4
93.03472	0.3
93.42783	0.2
95.01379	1.0
95.05026	0.7
97.02946	2.5
97.06554	0.3
98.19749	0.5
99.00872	0.7
101.02444	11.6
109.02937	0.4
109.06564	0.6
111.04516	0.5
113.02448	7.3
115.04011	0.3
119.03489	3.4
121.02922	0.3
125.01533	0.3
125.02441	5.9
125.06062	0.7
127.04076	0.2
129.01927	0.3
131.03523	0.6
133.05074	0.6
135.08142	0.7
137.02473	0.6
139.03989	0.9
143.03513	2.5
149.04477	0.3
161.04547	3.5
163.11285	4.2
165.12813	2.0
167.03494	0.3
174.24370	0.2
179.05611	3.8
181.12361	0.4
185.04517	0.4
188.04214	0.2
191.10771	1.3
199.06133	0.6
199.13213	0.3
207.10199	0.7
209.11809	100.0
210.12119	4.0
217.07184	0.8
221.06622	1.1
225.11322	0.4
227.12874	13.0
228.13170	0.5
235.08224	4.5
236.08713	0.3
251.12880	0.7
253.09277	1.0
259.08209	0.5
263.07687	0.3
279.23264	61.1
280.23611	4.4
287.07712	2.0
293.24786	0.6
305.08798	1.7
323.09805	1.3
379.12393	7.3
380.12891	0.3
397.13467	40.9
398.13779	2.5
415.14560	8.8
416.14899	0.4
464.35590	0.3
589.25073	0.7
607.26031	0.9
659.37067	0.6
677.37286	1.2
869.48285	0.4
887.49194	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	889.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.2
71.01380	18.7
71.58168	1.4
72.99302	1.7
73.02949	2.1
75.00858	0.9
77.04707	1.1
80.66042	0.9
81.03467	1.4
83.01383	1.5
83.05003	0.9
85.02964	4.2
85.39662	0.9
87.00867	5.4
89.02440	15.5
95.01395	1.8
97.02940	2.5
99.83612	1.0
101.02434	14.2
107.02892	0.9
113.02454	7.9
119.03484	3.5
121.68176	0.8
125.02428	7.6
125.09713	1.1
127.11306	1.8
129.67070	0.9
135.65533	1.0
142.36438	0.9
143.03462	2.8
161.04568	5.2
171.10258	100.0
172.10619	3.4
179.05641	4.6
209.11803	14.0
210.12177	5.2
217.07146	1.8
221.06729	1.5
227.12822	1.4
235.08244	6.9
241.02870	0.9
277.21707	57.5
278.22037	4.4
279.23285	2.9
280.23602	3.5
281.24789	1.7
284.91306	1.0
287.07724	2.6
289.18063	1.7
305.08768	2.3
307.18884	1.8
323.09897	1.4
379.12421	18.5
397.08286	2.2
397.13492	39.9
398.13788	3.5
399.14032	1.2
415.14581	7.7
551.23309	5.6
569.24481	5.3
657.34814	1.8
675.35693	2.1
752.15491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.3
69.03445	1.0
69.78783	2.1
71.01377	14.5
72.99302	0.9
73.02944	2.2
73.53036	0.3
75.00871	0.3
80.02683	1.0
81.03458	1.4
83.01398	1.0
83.05022	5.1
84.02155	0.8
85.02949	3.1
87.00879	3.4
89.02438	11.6
95.01389	1.1
95.05046	0.6
97.02943	2.2
99.00864	0.9
101.02440	9.4
109.02938	0.4
111.00867	0.5
113.02461	5.6
115.03992	0.4
116.89205	0.4
116.92858	1.2
119.03500	3.0
125.02432	5.8
125.06059	0.6
131.03487	0.7
135.08150	0.8
139.03998	0.4
139.97865	0.4
143.03528	2.0
161.04520	2.6
163.11264	4.1
165.01952	0.6
165.12854	2.5
167.03485	0.4
179.05577	4.0
181.12360	0.6
191.10732	1.0
199.06166	0.7
209.11807	100.0
210.12117	4.7
217.07086	0.8
221.06630	1.6
227.12866	9.6
228.13370	0.6
235.08203	4.1
251.12775	0.9
253.09395	0.6
259.08282	1.1
281.24826	52.8
282.25183	3.6
287.07611	1.3
305.08804	1.4
323.09625	1.3
379.07965	0.7
379.12448	8.0
397.13477	31.0
398.13651	2.1
415.14548	6.8
416.14609	0.7
482.34760	0.5
589.25061	1.0
607.25964	1.9
650.78845	0.5
662.12830	0.5
679.39063	1.0
889.49512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72407	0.3
61.98820	1.2
69.03458	1.0
71.01377	15.8
72.99294	1.4
73.02952	2.5
80.02665	1.2
81.03474	1.9
83.01373	1.8
83.05026	5.3
84.02151	0.7
85.02956	3.7
87.00877	4.0
87.04547	0.3
89.02438	13.4
93.03432	0.4
93.62771	0.3
94.31009	0.3
95.01378	1.1
95.05021	0.9
97.02950	2.3
99.00857	1.0
101.02442	13.0
109.02942	0.3
109.06580	0.6
111.00837	0.5
111.04520	0.6
113.02439	7.3
116.92848	3.4
119.03485	3.7
121.02922	0.5
125.02442	5.5
125.06062	0.3
131.03511	0.6
133.05069	0.6
134.89384	0.4
135.08170	0.6
139.03969	0.6
141.01993	0.4
143.03500	2.2
149.04562	0.3
161.04555	3.7
163.11272	3.0
165.12801	2.5
167.03543	0.7
169.05087	0.4
170.73302	0.3
179.05606	2.9
181.12291	0.7
191.10696	0.7
199.06256	0.4
207.10205	0.8
209.11809	100.0
210.12161	4.2
217.07155	1.0
219.05061	0.4
221.06612	1.5
225.11279	0.4
227.12872	13.2
228.13138	0.6
235.08208	5.3
251.12746	0.5
253.09206	0.9
259.08142	0.7
263.07584	0.5
281.24829	64.0
282.25211	4.8
287.07657	1.3
295.26376	0.6
301.09299	0.3
305.08643	2.0
323.09879	0.9
323.25699	0.4
361.11395	0.6
379.12436	9.4
380.12869	0.4
397.13461	46.9
398.13861	2.9
399.84796	0.3
415.14548	8.9
416.14841	0.7
519.84052	0.3
589.24933	0.8
607.25964	1.1
661.37891	0.5
679.38812	1.8
889.50690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52712	0.5
69.53134	0.5
79.95734	31.0
80.95716	0.1
80.96514	3.2
81.95307	0.2
93.03463	0.6
96.96025	0.5
108.02189	0.2
109.02946	2.2
109.92394	0.2
111.45175	0.1
119.04998	0.2
121.02949	6.2
122.03736	5.9
123.04543	1.0
124.01649	0.5
124.22321	0.1
129.03482	0.4
134.03734	0.6
135.04532	0.7
136.05263	0.6
137.02415	1.0
146.03687	0.3
147.04507	2.5
148.05246	0.4
149.06038	0.5
154.02702	0.9
161.06084	0.8
162.06813	0.2
163.03897	0.2
164.04781	0.2
165.05556	12.1
166.05908	0.6
175.07593	0.2
178.06285	0.2
179.07118	3.9
180.07747	0.2
193.08661	0.2
201.43576	0.1
205.08763	0.1
208.07370	0.2
209.08134	0.5
219.79381	0.2
223.09746	0.5
243.96759	0.3
285.11362	0.2
298.12088	0.4
301.10681	0.2
313.14331	0.5
315.12299	1.5
316.12970	0.3
331.15564	0.2
343.15521	0.2
346.14169	5.0
347.14642	0.4
361.16525	31.2
362.16846	2.6
399.74011	0.2
426.09787	0.4
439.10745	0.2
441.12192	100.0
442.12512	9.6
443.12170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.1
71.01379	48.8
71.36415	1.0
72.99303	1.0
73.02943	3.0
75.00889	0.8
79.95731	16.3
79.96201	0.8
80.96513	52.7
83.01396	1.3
85.02945	16.0
87.00865	9.3
94.98075	0.4
95.01379	3.5
96.96005	48.2
99.00867	1.1
101.02438	0.9
103.00372	8.1
107.85780	0.4
111.00870	0.8
113.02448	27.8
114.02809	0.6
115.00368	44.0
116.00683	0.7
122.97588	1.7
129.01927	1.1
138.96049	0.8
138.97076	12.5
157.01390	5.8
162.97046	1.2
166.96552	8.0
174.97018	1.9
175.02464	64.7
176.02806	1.8
181.05005	0.4
192.98093	15.9
206.09976	0.5
208.39745	0.4
210.99110	2.8
236.97165	1.2
244.07066	0.4
254.98140	100.0
255.98457	2.9
285.03867	0.8
337.30951	0.4
347.68820	0.4
375.19867	0.5
395.20468	0.4
416.09882	0.4
419.75552	0.4
560.72766	0.5
679.53607	0.5
891.40485	84.8
892.40802	16.1
892.58667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.1
71.58787	0.1
72.99340	0.0
75.00855	0.1
79.95731	3.6
85.02925	0.1
92.99036	0.1
94.98120	0.1
96.96004	100.0
97.95944	0.3
101.02444	0.1
113.02463	0.1
142.71288	0.0
151.94962	0.0
274.08078	0.0
302.02689	0.1
531.01007	0.1
632.79218	0.1
795.45197	0.2
893.42932	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
70.17284	0.1
74.50813	0.1
75.04410	0.1
79.95732	32.6
80.96510	3.2
93.03449	0.6
96.93272	0.1
96.95998	0.4
98.20649	0.3
103.79422	0.1
108.02206	0.2
109.02215	0.1
109.02956	2.3
111.94686	0.1
119.05008	0.2
121.02950	6.2
122.03743	5.9
123.04559	0.7
124.01659	0.4
125.02419	0.2
129.03467	0.2
134.03734	0.4
135.04500	0.8
136.01678	0.1
136.05296	0.7
137.02435	0.9
137.06113	0.1
146.03696	0.2
147.04520	2.7
148.05251	0.2
149.06053	0.5
150.03152	0.1
151.03998	0.1
153.01932	0.1
154.02702	0.7
157.96616	0.1
161.06097	0.8
162.06856	0.3
163.03983	0.1
164.04750	0.2
165.05553	12.4
166.05916	0.4
169.01428	0.2
175.07640	0.2
176.08395	0.2
176.76610	0.1
177.05557	0.1
178.06355	0.3
179.07124	4.0
180.07504	0.1
191.07108	0.3
209.08160	0.5
216.00883	0.3
221.08130	0.1
223.09721	0.4
277.46323	0.1
298.12039	0.3
301.10764	0.2
313.14310	0.5
314.14862	0.1
315.12393	1.1
316.12796	0.2
328.13129	0.1
331.15472	0.1
343.15479	0.1
345.13519	0.1
346.14166	4.5
347.14441	0.3
358.97495	0.1
361.16528	29.5
362.16925	2.6
426.09702	0.6
441.12195	100.0
442.12524	7.8
469.22763	0.1
508.36606	0.1
753.44287	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36592	1.1
69.03458	1.4
71.01380	16.7
71.16582	2.1
72.99323	2.2
73.02949	2.5
75.00864	2.0
81.03446	2.0
83.01395	2.1
83.05017	4.6
85.02963	3.3
87.00864	3.9
89.02444	12.0
97.02939	3.0
99.00890	1.6
101.02423	12.0
113.02447	6.5
119.03504	2.6
125.02478	6.7
143.03503	2.8
161.04521	2.1
163.11244	2.6
165.12827	2.6
179.05608	2.6
199.06296	1.0
209.11807	100.0
210.12141	5.0
217.07132	1.4
227.12856	13.7
235.08171	5.2
255.23268	54.2
256.23633	3.8
259.08353	1.1
287.07751	2.6
305.08813	1.7
379.12411	11.5
397.13486	46.3
398.13840	2.9
415.14578	10.2
415.84750	1.3
429.30743	1.2
589.24866	2.7
607.26135	1.4
635.35999	2.4
653.37439	4.0
809.66321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.461
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88066	2.4
71.01386	15.0
74.22662	2.2
81.03477	2.5
87.00878	4.5
89.02449	13.7
96.52275	2.4
97.02934	5.3
98.12728	2.0
99.87799	2.1
101.02444	13.3
109.06585	22.8
110.24251	2.2
113.02425	6.2
119.03494	6.6
125.02444	4.9
135.08279	3.7
161.04543	4.3
163.11275	8.6
179.05612	5.0
181.12311	3.8
207.10236	67.8
208.10583	2.9
225.11302	31.0
235.08173	4.5
255.23288	60.8
256.23520	3.5
275.28519	2.3
305.08810	4.6
379.12430	11.3
397.13443	67.5
415.14551	11.4
446.84299	2.4
587.23431	4.7
605.24432	12.6
623.25739	5.1
635.36224	6.9
653.37189	13.8
760.45020	2.7
793.01251	2.5
843.46643	6.2
861.48340	100.0
862.48633	21.0
897.46332	62.2
898.46460	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	897.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	10.4
71.59820	2.3
73.31332	2.4
75.39649	2.1
81.97652	1.9
82.28919	1.9
83.05016	3.2
89.02437	10.0
96.96028	3.1
97.02924	2.9
99.61033	2.1
101.02431	9.8
113.02386	5.2
119.03466	4.7
119.97849	2.1
120.39287	2.3
125.02408	5.3
152.21964	1.9
161.04532	3.4
163.11270	2.7
179.05595	5.4
201.11311	2.6
209.11810	100.0
209.13779	5.2
225.58562	2.1
227.12903	22.1
235.08267	4.9
253.21709	50.7
254.22246	2.4
255.23302	4.4
291.19550	2.8
305.08896	2.8
379.12527	17.0
397.13498	59.2
398.13464	2.7
415.14474	10.0
524.34503	2.4
589.25079	9.7
607.26093	7.6
633.34827	5.2
651.35858	12.3
843.47687	2.7
897.46454	47.9
898.46704	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	897.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	1.3
69.03445	2.2
69.44041	3.1
69.44464	3.9
71.01379	100.0
72.99332	2.1
73.02936	5.4
75.00858	1.8
78.80116	1.1
81.03456	1.9
81.08049	0.9
83.01379	2.6
83.05031	1.6
85.02941	5.9
87.00867	5.7
89.02435	19.5
89.38790	1.0
93.37312	0.9
95.01363	1.3
97.02934	4.8
99.00872	3.6
101.02439	17.8
109.01827	1.0
109.06612	5.2
113.02452	9.7
119.03497	4.8
123.08080	1.3
125.02436	8.9
125.09731	1.8
127.11301	2.1
135.08206	1.0
137.02409	1.4
143.03510	3.8
155.10823	1.2
161.04556	5.4
163.11282	4.5
167.03448	1.3
171.10258	51.4
172.10660	1.1
179.05598	4.6
181.08748	1.1
181.12318	1.6
185.11932	1.2
189.47003	1.0
194.17523	1.0
197.11771	1.1
199.09731	13.3
199.13380	1.2
201.11316	14.5
203.48412	1.0
207.10246	21.3
209.11810	1.5
221.06641	2.7
221.11906	2.4
225.11292	15.7
226.11807	1.2
235.08185	6.7
239.12856	1.8
239.51044	0.9
240.82318	0.9
243.12291	1.3
255.23279	77.4
256.23578	4.0
277.21616	1.5
287.07553	2.6
305.08847	2.5
323.09750	1.5
379.12424	6.9
397.13480	49.8
398.13892	2.5
415.14413	11.0
459.30597	0.9
579.22748	1.3
597.23871	1.3
605.24554	1.8
623.25562	1.4
653.38019	1.8
835.46930	4.0
836.47516	1.8
861.48553	12.4
862.49280	4.9
879.49097	3.5
897.50598	12.7
898.50806	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	898.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26867	98.4
70.16010	9.2
71.01377	32.3
79.95782	10.4
85.02959	9.9
89.02419	12.7
94.47250	9.2
96.95995	41.6
98.20682	17.0
99.00875	14.8
101.02432	15.9
112.67926	9.9
113.02466	11.9
125.02428	12.6
125.48139	8.8
149.39262	9.2
152.82193	9.7
165.35529	10.1
169.17012	9.2
172.55714	9.3
187.54491	9.4
196.27524	9.1
209.11778	100.0
210.12120	52.1
211.12373	21.7
227.12822	19.7
228.13252	11.5
232.17705	11.0
312.99982	27.9
328.02127	36.2
343.04498	47.0
344.05139	19.1
423.00116	41.6
828.50604	11.8
898.39203	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	899.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74043	0.2
69.31663	0.7
69.32086	1.5
71.01353	0.3
71.68948	0.2
80.84117	0.2
96.96007	0.7
113.02417	0.3
122.80183	0.2
125.02453	0.4
129.27077	0.2
133.60847	0.3
153.70900	0.3
170.39340	0.3
242.99265	1.0
258.01837	0.3
270.98831	19.5
271.99200	1.1
283.99530	0.5
285.00418	1.0
286.01154	0.5
289.11160	0.3
293.55884	0.3
298.98318	44.5
299.98587	2.0
312.99918	1.7
314.00681	71.0
315.01093	3.8
329.03015	100.0
330.03354	5.5
390.50671	0.3
408.98672	63.5
409.98990	4.3
512.20203	0.3
707.82428	0.3
708.24518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77766	0.7
69.03454	4.4
69.53685	1.7
69.54094	4.1
71.01377	13.4
72.99300	1.0
73.02940	1.6
78.95889	0.9
83.01408	1.8
85.02948	1.7
87.00854	2.1
87.84096	0.7
89.02447	6.5
95.01365	1.2
96.96033	1.6
97.02969	1.1
97.06586	1.2
99.00925	1.1
101.02446	7.5
111.08215	1.1
113.02434	3.7
119.03497	1.7
125.02445	2.2
125.09718	1.2
151.11311	1.4
153.12740	0.9
161.09726	3.0
179.10727	4.8
197.11818	33.0
198.12187	1.6
221.06572	1.1
225.11391	1.0
227.08391	0.8
234.48033	1.0
235.08154	1.6
241.10854	1.2
277.21695	31.1
278.22076	1.5
335.37997	0.9
397.13501	1.8
415.14444	1.1
483.13965	0.9
773.88324	0.8
778.42969	0.9
876.97095	0.9
899.46381	100.0
900.46722	17.5
900.63397	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.3
69.19386	0.8
69.22047	5.2
69.22476	3.9
71.01374	14.6
71.05005	1.5
72.99284	2.1
73.02930	2.1
83.01398	1.1
85.02942	2.6
87.00850	2.6
89.02442	9.4
91.16115	0.8
95.01326	0.8
96.96009	1.8
97.02968	2.1
97.06568	0.9
99.00853	1.3
101.02440	8.6
113.02426	3.9
119.03533	1.1
123.08089	0.8
125.02433	2.1
125.09669	1.5
151.11288	1.9
153.12846	1.3
161.04535	1.5
161.09637	2.2
169.12137	1.1
179.10754	3.4
197.11806	54.1
198.12206	2.3
207.10281	1.0
221.06673	1.4
223.09624	1.5
241.10756	3.8
277.21680	21.2
374.99643	0.9
397.13235	2.6
718.48975	0.9
881.46320	1.8
899.46356	100.0
900.46722	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02410	1.3
65.00332	1.2
69.03479	0.3
70.57760	0.3
71.01376	1.4
71.61675	0.5
73.02966	0.5
75.00890	0.4
79.95753	0.4
83.01403	1.5
83.05029	0.4
85.02959	1.3
87.00864	0.5
89.02478	0.9
91.01897	0.4
93.03455	2.3
95.01395	0.6
96.96001	2.3
99.00867	0.4
101.02428	0.7
107.01376	3.8
109.02902	1.5
113.02477	1.0
116.55069	0.3
117.03450	4.8
119.03613	0.3
119.05005	2.1
121.02959	0.6
123.00835	0.4
123.04535	0.4
124.01684	0.3
125.02466	1.1
127.03976	0.6
131.05046	0.5
132.02193	0.8
133.02992	0.4
134.03745	1.3
135.00888	1.3
137.02422	0.7
143.05026	1.2
145.02945	13.2
145.04895	0.5
147.11296	0.3
150.03249	0.4
151.00351	6.5
153.01891	0.3
154.04227	0.4
157.06554	0.7
159.04480	1.7
160.01656	1.7
161.02452	0.8
163.00375	2.2
163.03958	2.6
164.01097	0.6
165.01900	0.7
167.05022	0.4
169.01447	1.4
169.06633	0.7
171.04503	0.6
173.02429	0.6
173.06087	0.3
175.03975	2.5
183.04564	1.0
185.06041	2.6
187.03970	4.1
188.04411	0.4
189.05568	1.2
192.00737	0.3
193.04997	1.2
195.04489	0.8
197.06061	0.6
199.04044	0.9
201.05643	0.6
211.03940	1.9
212.04587	0.4
213.05569	2.2
214.02718	0.7
215.03493	0.5
217.05077	0.6
227.03439	6.5
228.03914	0.4
229.05017	10.2
230.05411	0.7
239.03539	1.4
240.04172	0.6
241.05046	1.9
243.02989	0.7
255.02971	13.0
256.03629	1.9
257.04541	7.4
257.07275	0.2
258.04703	0.4
267.02878	0.9
271.02457	1.1
283.02420	2.4
284.03235	9.1
285.04013	100.0
286.04382	5.1
299.02197	0.4
299.05548	1.0
300.02643	1.2
301.03442	1.2
418.44131	0.3
453.13800	0.5
503.62064	0.3
615.19226	12.8
616.19476	1.2
707.17810	1.4
725.20227	0.6
755.20660	0.3
901.23785	17.7
902.23865	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	901.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	1.2
65.00322	0.9
68.26558	0.1
69.03448	0.4
69.29944	1.2
71.01384	0.9
73.02945	0.2
83.01371	1.2
85.02950	0.5
89.02439	0.2
91.01904	0.4
93.03449	2.0
95.01398	0.5
96.95995	0.6
97.02957	0.4
99.00875	0.2
101.02432	0.4
103.03938	0.1
107.00705	0.2
107.01389	3.0
109.02953	1.0
111.00847	0.2
113.02449	0.4
115.08044	0.1
117.03458	6.2
118.03893	0.1
119.01397	0.2
119.05025	3.0
119.05805	0.2
121.02915	0.2
123.00883	0.3
123.04502	0.2
125.02433	1.5
130.04268	0.2
131.05017	0.5
132.02222	0.2
133.02960	0.3
134.94847	0.1
135.00880	1.0
137.02449	0.4
141.07126	0.3
143.05022	1.1
145.02945	21.1
146.03268	0.6
147.00871	0.2
147.04553	0.2
151.00362	5.4
151.94757	0.1
153.01929	0.3
154.04257	0.3
155.05000	0.4
156.05800	0.3
157.06555	1.0
158.03720	0.2
159.04510	1.4
161.02429	0.2
161.04564	0.2
161.06113	0.2
163.00362	2.2
163.03993	4.5
163.06079	0.2
164.01144	0.4
164.04430	0.2
165.01926	0.4
165.05585	0.2
167.05081	0.6
168.05702	0.2
169.01424	1.0
169.06592	1.1
171.04524	1.0
173.02403	0.2
173.06125	0.3
175.04034	0.2
182.03690	0.2
183.04478	0.8
184.05304	0.3
185.02472	0.2
185.06068	2.9
186.06367	0.1
187.04007	3.1
189.05548	1.1
190.99933	0.1
192.00587	0.2
193.55190	0.1
193.76067	0.1
195.04533	0.9
196.05228	0.2
197.06042	0.7
198.03191	0.3
199.04028	0.7
201.05527	0.7
211.03975	1.7
212.04736	0.4
213.05559	2.3
214.02693	0.4
215.03481	0.5
218.54230	0.1
223.03978	0.2
226.02655	0.2
227.03479	7.1
228.03973	0.4
229.05037	11.0
230.05321	0.4
231.06490	0.1
239.03430	1.3
240.04175	0.6
241.05040	1.4
243.03033	0.4
255.02968	9.9
256.03665	1.7
257.04541	6.3
258.04791	0.4
267.03009	0.8
271.02402	0.4
271.06061	0.5
283.02435	1.2
284.03247	8.3
285.04022	100.0
286.04352	5.8
287.07800	0.2
289.09293	0.5
300.02777	0.4
307.08224	2.5
308.08643	0.2
315.05051	0.4
336.03830	0.1
395.00592	0.4
395.09338	0.2
417.11826	0.3
425.10547	0.1
433.11261	1.8
434.11490	0.2
435.12961	0.5
451.12509	0.3
597.18115	0.3
615.09198	0.2
615.19287	3.2
616.19568	0.2
681.29755	0.1
737.19312	1.0
755.20276	3.3
756.20654	0.3
901.23914	8.7
902.24371	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	901.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02428	1.3
65.00333	1.0
71.01392	2.5
71.61810	0.5
72.99343	0.7
73.02961	1.1
75.00894	0.9
79.95718	0.5
80.03661	0.4
80.96548	0.4
83.01424	1.5
85.02943	2.0
87.00889	1.0
89.02477	1.3
91.01875	0.5
91.31761	0.4
93.03459	2.2
94.37079	0.4
95.01410	1.0
96.96001	3.3
99.00915	0.9
101.02481	1.0
107.01378	4.3
109.02966	0.9
111.01022	0.4
113.02448	0.6
117.03457	4.3
119.05046	2.0
123.04524	0.9
123.32568	0.4
125.02489	1.7
127.04006	0.8
134.03792	1.3
135.00922	1.4
137.02484	1.0
142.06645	0.5
143.05035	1.6
145.02953	14.3
145.05029	0.8
151.00352	5.6
154.04269	0.5
155.05080	0.5
157.06586	0.7
159.04555	1.6
160.01697	1.6
161.02475	0.6
161.06190	0.7
162.75113	0.4
163.00400	2.5
163.03976	2.3
164.01088	0.5
165.01990	0.7
165.05666	0.5
167.04993	0.6
169.01448	0.9
169.06616	1.0
171.04556	0.8
173.06041	0.5
175.02602	0.5
175.04044	1.7
179.05655	0.5
183.04634	0.7
185.06071	3.0
187.03975	4.5
189.05602	1.5
193.05026	0.7
195.04700	0.9
195.06517	0.6
197.06084	0.9
199.03966	1.2
201.05569	1.2
209.11758	0.6
211.04024	2.0
213.05678	2.1
214.02626	0.4
215.03578	0.6
217.05045	0.9
221.92284	0.4
223.09889	0.6
227.03487	7.1
228.03685	0.5
229.05006	12.3
239.03427	2.1
240.04320	0.8
241.05037	1.4
255.02956	13.3
256.03622	2.3
257.04547	7.0
267.02997	0.9
271.02328	1.2
283.02438	3.3
284.03241	9.5
285.04022	100.0
285.93106	0.4
286.04370	5.3
299.01849	0.6
299.05499	0.7
300.02594	1.5
301.00189	0.5
301.03445	1.5
301.06723	0.6
303.05063	0.4
305.44299	0.5
329.13751	0.6
418.46725	0.4
453.13809	0.6
524.24023	0.4
576.07617	0.4
615.19299	12.5
616.18970	1.4
643.86688	0.5
707.17749	1.3
725.19147	0.7
901.23499	16.3
902.24457	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99543	0.6
69.03434	0.6
71.01379	15.0
71.01775	0.8
72.99310	1.6
73.02966	2.2
79.95733	0.4
80.02678	1.3
81.03454	2.3
83.01390	1.3
83.05016	5.7
84.02174	1.0
85.02937	3.0
87.00872	3.2
89.02444	11.7
89.03006	0.7
95.01380	1.3
95.05021	1.1
96.96004	9.6
97.02944	2.0
99.00877	0.6
101.02437	10.0
111.08133	0.8
112.60202	0.4
112.98535	0.6
113.02440	6.1
119.03489	2.7
125.02428	4.1
125.06072	0.6
125.09750	0.6
131.03493	0.6
135.08183	0.9
139.04016	0.6
143.03485	1.4
161.04568	3.3
163.11282	4.0
165.12842	3.0
169.12265	0.5
179.05565	3.3
179.14395	0.8
181.12331	1.0
183.13960	1.0
191.10712	1.0
195.13904	5.6
205.12544	0.7
209.11809	100.0
210.12152	3.9
210.71841	0.5
211.13382	2.0
221.06676	1.6
223.13339	5.2
227.12862	12.3
228.13403	0.6
235.08154	5.1
235.17230	0.5
253.09380	0.8
256.13071	1.0
263.07693	0.5
275.20102	4.4
287.07675	1.2
293.21204	99.7
294.21487	5.5
305.08713	1.7
309.20795	0.9
323.09778	0.8
341.10953	0.6
349.89072	0.4
379.12469	4.4
380.12695	0.7
397.13467	38.4
398.13892	2.7
399.87015	0.5
415.14511	12.2
435.04282	0.5
589.25073	0.9
607.25769	3.0
608.25995	0.6
691.35675	0.6
876.54999	0.5
901.46436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99568	1.7
69.03446	1.3
71.01001	0.9
71.01382	13.1
72.99312	1.2
73.02940	1.8
78.95950	0.4
80.02681	1.7
81.03446	2.0
83.01376	1.3
83.05019	4.9
84.02164	0.8
85.02934	3.1
87.00872	3.7
89.02442	11.4
95.01395	1.3
95.05001	1.3
96.96004	9.1
97.02945	2.5
98.19850	0.9
99.00865	0.7
101.02440	10.4
109.06590	0.6
111.04443	0.4
112.98534	1.2
113.02439	5.5
119.03471	3.2
121.10232	0.6
125.02441	4.3
128.68350	0.4
131.03502	0.5
135.08136	1.1
143.03458	2.2
161.04570	2.3
163.11284	4.2
165.12842	2.4
171.10286	2.0
179.05605	3.2
179.14464	0.6
191.10744	1.0
195.13873	6.5
209.11810	87.4
210.12180	3.2
211.13411	1.7
217.07274	0.7
221.06647	2.0
223.13385	4.8
227.12874	11.4
228.13496	0.6
231.21019	0.6
235.08180	4.1
253.09288	1.3
256.13165	0.9
275.20154	7.5
276.20447	0.6
287.07712	1.7
291.19495	0.6
293.21219	100.0
294.21533	6.2
296.38898	0.4
305.08801	1.9
309.20557	0.7
323.09790	1.4
328.30487	0.5
346.80676	0.5
379.12411	3.6
397.13477	32.8
398.13776	2.0
415.14575	14.6
416.15112	0.8
485.32693	0.7
589.24988	0.8
607.26459	2.2
673.34113	1.3
691.35388	2.4
787.99670	0.5
901.47052	0.8
915.31836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	1.8
65.00321	4.6
69.60266	3.1
70.07176	0.4
71.01376	1.3
83.01379	3.2
89.02431	0.6
91.01904	0.7
91.72563	0.6
93.03453	0.7
95.94936	0.4
96.95997	0.8
97.06230	0.4
102.52788	0.5
105.51634	0.5
107.01385	9.4
108.02190	1.6
109.02955	4.4
113.02502	0.4
117.13910	0.5
119.94162	0.4
121.02953	6.2
123.00835	0.5
125.02444	1.3
131.91071	0.5
135.00868	1.6
136.01630	0.7
137.02411	1.2
139.03983	0.5
148.01642	1.5
149.02438	1.6
150.03226	0.5
151.00362	33.6
151.03940	0.8
152.01033	0.6
153.01924	0.4
157.02940	0.5
159.04442	1.1
161.02383	1.0
163.00351	5.2
163.04056	0.5
164.01147	1.0
165.01930	0.5
167.05006	0.6
169.01418	1.5
173.38889	0.5
178.99844	16.6
183.04541	0.7
185.06090	0.5
187.04002	1.1
192.00574	0.9
193.01389	1.0
198.03159	0.7
199.03957	1.1
201.05670	0.8
203.03485	1.4
211.03989	2.4
213.05432	0.6
215.03432	0.6
215.14285	0.5
216.04271	0.5
226.02686	1.5
227.03470	4.9
229.04979	1.1
233.04420	0.7
239.03525	0.7
240.04260	0.6
243.02980	13.1
244.03468	0.9
245.04555	2.7
254.02220	2.8
255.02960	33.5
256.03458	2.1
257.04434	0.5
266.02094	0.7
271.02454	66.1
272.03012	4.9
273.03967	2.2
283.02417	2.1
284.03369	0.6
289.07248	1.2
299.02023	2.4
300.02728	100.0
301.03479	73.7
302.03909	3.5
307.13916	0.4
365.18170	0.7
637.22534	0.5
849.60144	0.5
903.24054	75.6
904.24420	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	903.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26579	0.2
71.01391	0.2
71.60238	0.2
71.60617	0.3
73.02932	0.3
79.95735	9.5
80.96497	0.4
90.04303	0.2
96.96017	2.1
108.02098	0.1
109.02959	0.2
110.23845	0.2
121.02954	1.6
123.04461	0.2
135.04494	0.3
137.02425	0.2
145.02925	0.4
147.04491	0.6
151.00380	0.2
159.04407	0.2
178.00447	0.2
192.08041	0.3
207.08020	0.2
214.13168	0.2
239.10634	0.2
240.04271	0.5
250.06404	0.2
251.07069	0.2
255.10138	1.1
263.07083	0.2
269.08163	14.1
270.08508	0.7
270.12427	0.3
271.02475	0.8
271.09753	0.5
281.08179	1.8
282.08536	0.2
283.09747	4.2
284.02988	0.2
284.10031	0.3
285.03967	0.2
294.08914	0.3
295.09778	0.6
296.10495	0.5
296.13638	0.2
297.11279	0.2
298.12134	0.8
299.01947	0.3
299.09229	9.7
300.02652	0.9
300.09680	0.6
301.03159	0.4
309.11414	0.3
310.12088	0.6
311.09247	11.8
311.12512	0.4
312.09625	0.6
313.10727	0.4
314.11569	16.0
315.11835	1.1
325.10706	1.7
326.11548	10.9
326.15509	0.4
327.11911	0.7
329.13907	40.0
330.03305	0.2
330.14276	2.9
341.13910	14.0
342.14215	1.2
391.15833	0.2
409.09546	2.5
410.09882	0.2
439.10629	100.0
440.10959	8.0
441.10544	0.2
765.87115	0.2
766.52545	0.2
804.22876	0.3
902.74347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86867	0.2
69.25146	1.2
69.25553	0.4
79.95733	30.0
80.96510	2.9
93.03445	0.7
96.95997	0.5
105.05823	0.2
106.78365	0.1
107.01319	0.2
108.02151	0.2
109.02950	2.2
110.06905	0.1
113.45166	0.2
121.02950	6.2
122.03738	5.9
123.04601	0.9
124.01647	0.6
125.02428	1.4
129.03433	0.3
131.05017	0.2
134.03735	0.3
135.04503	0.7
136.05302	0.5
137.02434	1.2
147.04515	2.7
148.05232	0.4
149.06070	0.7
150.03270	0.2
151.00365	0.7
151.04037	0.2
154.02766	0.9
159.04523	0.2
161.06073	0.8
163.03984	0.2
164.04810	0.2
165.05562	11.0
166.05972	0.2
169.01373	1.6
178.06349	0.4
179.07121	3.5
191.07167	0.2
193.08725	0.2
208.07506	0.2
209.08052	0.4
216.00990	0.3
223.09709	0.5
255.02934	0.3
271.02399	1.0
285.11343	0.2
289.07181	0.8
300.02765	2.2
301.03284	0.8
306.36029	0.2
313.14398	0.4
314.04233	0.3
315.12289	1.1
316.12802	0.2
331.15286	0.3
332.97678	0.2
345.13113	0.2
346.03293	0.5
346.14191	5.1
347.14474	0.5
361.16534	27.8
362.16919	2.3
421.09045	0.2
426.09790	0.3
441.12225	100.0
442.12552	7.6
463.08740	2.9
667.40552	0.2
687.35443	0.2
905.24103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	1.1
65.00315	3.1
70.05730	1.1
70.06136	0.8
71.01376	0.9
79.95752	1.2
83.01385	2.8
85.02940	0.6
87.00864	0.5
91.01884	0.8
93.03415	1.0
96.96006	5.4
101.02440	0.6
107.01381	7.1
108.02168	1.4
109.02953	1.9
119.05035	0.7
120.99661	1.3
121.02951	4.6
124.01640	1.2
125.02428	1.4
135.00858	1.3
135.04512	0.6
137.02458	0.9
145.06656	0.4
148.01685	1.0
149.02431	1.1
151.00359	28.2
152.01076	1.0
159.04431	0.6
161.02448	0.5
163.00363	3.6
163.03975	1.0
164.01111	1.2
165.01947	0.8
167.03711	0.4
169.01384	2.0
175.03934	0.8
178.99844	12.8
180.00082	0.4
183.04430	0.6
187.04027	0.8
190.99928	1.0
191.03473	0.6
192.00632	0.6
193.01407	0.6
196.47742	0.6
199.03999	1.0
203.03519	0.5
211.04018	1.1
213.05646	0.5
215.03531	0.7
216.04259	0.9
226.02710	1.0
227.03496	2.7
229.05019	1.0
239.03397	0.7
241.05118	0.6
243.02962	9.5
243.96767	1.2
244.03387	0.6
245.04515	1.0
254.02251	2.1
255.02965	27.4
256.03360	1.6
257.04471	1.4
271.02444	58.6
272.02972	4.6
273.03989	1.7
283.02371	0.7
285.03906	2.0
291.12790	4.4
299.01920	4.9
300.02725	100.0
301.03473	61.4
302.03864	3.9
313.03445	5.0
314.04187	3.1
343.04492	0.6
346.03195	4.5
403.08017	0.6
420.08456	0.8
421.09338	2.2
433.07623	1.4
447.07166	14.5
448.07559	1.0
465.08237	5.9
471.13605	0.7
499.48141	0.5
614.60718	0.5
741.18774	50.4
742.19128	6.5
861.24475	1.7
887.22662	3.1
905.23468	32.7
906.23737	6.2
915.51636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	3.0
65.00322	4.4
67.66379	0.7
71.01371	1.9
71.36980	1.9
79.95737	2.0
80.76749	0.7
83.01379	3.0
85.02959	0.8
93.03444	2.0
96.95994	2.0
101.03909	0.8
107.01385	9.2
108.02191	1.4
109.02937	1.7
113.02429	1.0
119.05016	1.6
120.99653	1.0
121.02952	8.0
125.02453	1.7
135.00893	0.9
137.02408	1.3
145.02913	1.0
147.04518	1.1
148.01671	1.4
149.02452	1.2
150.85822	0.9
151.00362	39.9
152.00713	1.0
157.25191	0.9
159.04460	0.9
161.02414	1.1
163.00362	4.3
164.01102	1.3
165.01976	1.8
169.01436	1.7
175.00288	0.8
178.99843	18.1
183.04434	1.1
193.01271	0.8
199.03944	2.0
211.03966	1.8
212.20395	0.8
215.03497	1.1
226.02655	1.7
227.03557	4.7
229.01242	1.0
229.04945	2.4
243.02939	10.7
245.04434	2.0
254.02138	2.4
255.02960	29.2
256.03403	1.2
257.04532	1.1
269.08170	2.2
271.02460	59.1
272.02988	5.7
273.04047	1.8
283.02563	1.7
285.03983	1.1
286.04599	1.0
299.01999	13.0
299.09308	1.0
300.02734	100.0
301.03494	78.2
302.03894	3.5
311.09146	2.2
313.03592	6.8
314.11505	2.9
326.11331	1.3
329.13947	5.4
330.14163	1.6
341.13812	2.0
421.09155	1.1
439.10614	11.9
440.10788	4.4
441.10614	3.7
447.07227	10.2
448.07706	1.2
465.08191	10.5
466.08716	1.5
643.77130	0.9
741.18524	17.9
742.18890	1.8
783.19641	5.3
887.21967	5.5
905.23480	49.8
906.24255	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	905.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02398	1.5
63.81181	0.4
65.00311	2.5
69.46890	2.3
69.47302	1.0
71.01395	0.6
79.95769	0.9
81.58739	0.4
83.01378	2.6
85.02924	0.7
93.03481	0.7
96.96005	4.6
98.19921	0.8
107.01393	5.5
108.02134	0.6
109.02958	1.4
113.02438	0.5
119.01405	0.6
120.99644	0.6
121.02955	4.1
121.09572	0.4
124.01627	0.7
125.02440	0.8
135.00887	0.8
135.04538	0.9
137.02388	0.8
143.05186	0.7
148.01675	1.9
149.02415	1.0
149.04507	0.5
151.00360	29.3
151.85384	0.4
152.01009	0.9
159.04520	0.6
161.02412	0.8
163.00362	3.2
163.03972	0.8
163.22473	0.5
164.01170	0.7
165.01900	0.8
169.01433	0.9
178.99861	12.6
179.03334	0.6
183.04398	0.5
189.01949	0.5
190.99854	0.6
191.03500	0.7
192.00668	1.1
193.01404	0.7
196.47824	0.4
199.04025	1.0
203.03638	0.5
211.04016	1.6
215.03560	0.7
226.02704	1.3
227.03438	3.4
229.05006	1.2
235.56232	0.5
241.04874	0.6
243.02965	10.3
243.96841	1.2
245.04611	1.5
254.02185	2.0
255.02974	29.2
256.03543	1.4
257.04462	0.5
271.02457	56.2
272.02985	4.4
273.03967	2.3
283.02487	1.4
285.03937	1.5
291.12698	3.9
297.04053	0.6
299.01993	5.3
300.02740	100.0
301.03473	61.9
302.03830	2.8
313.03540	5.0
314.04233	3.6
343.04663	0.6
346.03235	4.6
421.09317	2.7
433.07687	1.2
447.07199	13.0
448.07565	1.2
465.08212	6.2
466.08499	0.5
471.13708	1.3
741.18719	51.1
742.19153	5.4
861.24591	1.2
887.22852	2.2
905.23462	32.3
906.23376	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	905.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70963	1.0
70.71307	1.2
71.01391	1.2
81.03453	2.6
83.01377	5.0
85.02957	1.1
93.03465	1.3
95.05033	1.7
96.95987	4.1
97.02945	3.2
101.02416	0.9
107.05042	1.7
109.02943	17.8
119.05012	0.9
121.02965	4.2
122.03744	1.1
123.04529	13.3
125.02439	100.0
126.02783	2.3
131.05055	0.6
133.02939	3.8
135.04532	1.5
137.02440	20.8
139.03999	2.4
143.04987	0.7
145.02899	1.1
147.04485	3.1
149.02443	6.4
150.03194	2.0
151.04002	13.3
151.05234	0.8
159.04457	3.0
160.05255	1.3
161.02435	27.3
161.06047	4.6
162.03137	2.7
163.00343	1.7
163.03990	4.1
164.01131	3.6
165.01935	4.8
167.03517	1.9
169.01422	1.1
173.06064	1.0
175.04001	11.8
175.07591	1.4
177.01924	6.7
177.05452	1.4
179.03497	6.1
185.06036	1.2
187.03972	8.0
188.04779	2.9
189.05554	1.0
190.11839	0.7
193.04974	1.0
199.04004	1.2
201.05614	1.9
202.06361	2.2
203.03479	2.2
203.07114	9.4
205.01486	3.2
205.05054	7.8
208.75456	0.7
211.04041	1.3
212.04611	0.8
213.05627	1.4
215.03571	1.2
217.05032	1.5
221.08130	1.7
227.03416	1.6
227.07149	2.1
228.04332	1.4
229.05081	4.0
230.05803	1.3
231.02957	1.2
231.06601	1.3
243.02954	3.0
243.06673	1.3
245.04482	7.7
245.08159	17.4
247.06090	1.2
253.05121	1.2
255.03001	9.2
256.03741	4.4
257.04483	2.2
269.04526	2.3
271.06183	1.0
273.04019	5.8
281.04587	5.2
283.02496	2.0
285.03979	3.9
287.05612	13.6
288.02777	1.1
288.06110	1.1
289.07166	63.2
290.07462	3.8
297.04074	1.3
297.07510	0.8
299.05603	5.0
300.99963	1.4
327.10818	1.7
339.08667	5.4
371.13330	1.3
381.09772	1.8
389.06815	0.8
407.07663	57.8
408.07962	4.6
409.09042	0.8
425.08743	73.1
426.09106	5.0
451.10297	19.2
452.10742	1.4
468.49615	0.6
469.17624	2.2
559.12463	2.4
577.13446	71.2
578.13635	7.7
743.28094	0.7
789.21509	0.7
905.24823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	1.0
68.99807	1.5
71.01377	27.8
72.99299	4.0
73.02932	1.2
75.00865	2.8
78.35718	0.2
83.01379	3.2
85.02442	0.6
85.02942	8.8
86.00063	0.3
87.00868	1.8
88.98786	0.4
89.02440	20.3
93.03442	0.4
95.00809	0.4
95.01382	7.2
95.04932	0.3
96.01678	0.3
96.96011	3.0
97.02932	1.2
98.95606	0.4
99.00877	2.8
101.02441	13.9
104.40889	0.3
109.02956	0.9
111.00888	0.9
112.01679	1.9
113.02444	13.3
113.27274	0.3
119.03481	2.4
128.18007	0.3
131.03484	1.0
137.02383	0.4
139.00375	1.7
143.03566	0.3
149.04527	0.7
157.01385	1.3
161.04512	0.9
230.55054	0.4
285.29950	0.3
292.75870	0.3
407.48697	0.3
423.32748	0.6
439.32104	2.2
440.32861	0.3
441.33838	2.2
509.36157	0.9
537.36060	0.4
731.40723	0.5
773.65576	0.3
779.41943	0.4
911.46356	100.0
912.46716	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	915.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44680	2.2
70.31450	7.9
74.41178	3.0
95.01382	9.8
96.95998	4.3
109.02920	3.5
115.05512	2.1
117.03456	2.4
119.05037	3.0
121.02886	2.0
123.00867	18.3
124.01699	4.5
125.02435	20.8
131.05023	4.6
131.79773	2.2
133.02916	2.6
137.02419	3.7
145.02962	8.4
147.04478	7.3
159.04526	12.9
161.02469	4.2
163.03996	3.7
164.01155	4.1
171.04475	3.7
173.02419	9.1
175.03940	19.9
177.01924	11.5
178.02647	2.4
185.02396	3.2
186.03047	3.4
187.03972	8.8
189.01868	5.6
190.02582	5.5
191.03461	9.5
201.01904	10.1
202.02577	4.9
203.03484	34.4
204.04109	3.0
205.01343	4.4
205.05089	2.6
211.03903	2.1
211.81310	2.2
213.01874	5.4
214.02748	3.9
215.03424	6.5
217.01381	3.9
218.02049	3.5
219.02864	5.6
221.04544	3.7
223.04028	2.4
227.03395	6.0
228.00708	2.7
229.01392	20.1
230.02066	9.9
231.02957	51.3
232.03552	4.4
239.03510	3.2
242.02168	5.1
243.02881	6.4
243.99864	2.9
245.00841	11.8
245.04503	3.1
247.02397	8.9
248.03178	5.8
249.04001	89.7
250.04327	3.7
254.02295	2.3
255.02858	2.9
257.00922	16.8
258.01712	22.2
259.02383	9.2
261.03833	2.8
269.04413	2.2
270.01709	2.9
271.02438	11.3
272.03195	3.8
273.00363	22.8
273.03522	3.2
274.01163	36.2
274.04117	3.7
275.01932	100.0
276.02271	5.5
277.04916	3.7
281.00800	3.1
281.03879	2.5
283.02567	3.6
283.99557	5.0
285.03986	6.8
286.01151	8.3
287.01926	17.7
288.02707	26.0
291.01563	2.6
297.03839	4.4
298.01047	5.7
299.01947	19.6
299.98993	4.6
300.02527	4.5
300.99838	56.7
301.03436	21.3
302.00400	2.4
309.03961	3.2
311.02054	5.3
312.02808	4.0
312.99686	8.0
313.03546	8.3
314.00687	49.6
314.04123	2.4
315.01321	12.1
315.04709	3.7
316.02197	3.2
317.02988	3.5
325.03680	10.6
327.01471	35.4
327.05069	6.1
328.02081	5.6
329.03027	11.4
330.00238	3.2
339.04968	6.1
340.02161	4.1
341.02832	15.0
341.06631	4.5
343.00827	4.1
346.03320	4.1
349.03305	3.0
351.05133	5.4
353.03098	7.1
365.02896	4.1
366.03876	4.4
367.04532	4.1
369.06302	12.5
371.04022	6.0
377.02930	9.0
379.04733	2.8
383.04065	3.4
385.05359	4.5
387.07141	9.3
395.03976	16.6
403.06628	5.3
413.05057	6.7
419.06287	2.7
449.07370	12.4
461.07138	3.1
479.08624	11.9
517.25574	2.5
551.10413	4.5
569.11407	22.5
663.09393	3.1
707.08386	5.2
732.07245	2.6
733.06781	38.6
734.06793	2.4
751.07648	14.3
752.08740	3.0
763.07581	3.7
781.08777	16.7
782.09290	2.8
825.08862	3.8
837.07129	3.7
853.10559	5.4
871.11859	32.7
872.12433	4.5
879.08850	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	915.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	1.0
76.82523	0.3
79.95733	14.0
80.96519	1.6
83.01381	0.5
84.40464	0.3
92.78915	0.4
96.95992	1.3
101.29355	0.3
107.01373	1.3
109.02943	1.4
113.02396	0.5
121.02913	3.2
122.03749	2.0
123.04536	0.6
125.02451	1.7
135.04439	0.6
137.02432	1.0
147.04500	0.9
151.00356	3.4
154.02695	0.5
159.04623	0.5
163.00323	0.8
163.04036	0.4
165.05554	4.5
167.39029	0.3
169.01436	1.7
178.99815	2.4
179.07162	1.8
181.05132	0.4
182.28299	0.4
190.02742	0.6
198.03212	0.4
199.03778	0.5
216.04341	0.6
224.38660	0.4
226.02721	2.9
227.03412	1.7
243.02936	8.0
254.02187	3.6
255.02951	5.1
271.02454	35.9
272.03107	2.9
289.07098	0.7
300.02719	46.0
301.03403	13.0
315.12552	0.5
343.04431	0.6
346.14151	2.0
361.16534	11.6
362.17038	0.8
418.15497	0.5
441.12241	37.6
442.12656	2.7
451.10559	0.9
463.08765	100.0
464.09143	7.0
520.45819	0.3
594.88312	0.4
718.09863	0.4
876.93939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	6.7
70.55538	2.9
71.01373	5.2
73.02941	1.4
83.01386	5.0
85.02939	3.2
89.02447	1.6
93.03446	1.8
95.01368	0.9
96.96019	6.2
101.02435	4.0
107.01387	13.2
108.02185	2.3
109.02958	4.5
113.02427	3.1
117.03471	1.8
119.01352	1.0
119.05022	11.6
121.02954	9.2
123.04502	1.3
125.02415	3.1
133.02939	1.4
135.00882	2.3
137.02429	1.9
139.04074	1.0
145.02969	4.0
145.04994	0.9
148.01634	2.7
149.02425	1.9
150.03229	1.5
150.06790	1.3
151.00360	56.4
152.00668	0.8
153.47089	0.8
159.04410	1.9
161.02399	1.2
163.00380	6.7
163.04001	7.5
164.01141	1.9
165.01970	1.4
165.05515	1.6
167.05016	0.8
169.01346	2.1
171.04512	2.4
174.03239	0.8
175.00282	1.0
175.03951	1.7
178.99838	24.0
179.10718	1.0
187.03915	3.7
190.99835	1.5
192.00572	1.1
193.01563	1.3
195.06746	0.8
199.03990	5.0
201.01863	1.2
203.03432	1.1
211.03920	2.7
215.03467	2.8
226.02679	2.3
227.03444	7.4
229.01344	0.9
229.04993	1.6
243.02945	16.3
244.03506	1.3
245.04495	3.0
254.02147	3.1
255.02954	37.3
256.03433	1.3
257.04532	1.4
271.02460	92.2
272.02945	7.2
273.04083	4.4
283.02411	1.4
284.03165	1.5
285.04013	1.3
299.01956	23.6
300.02725	100.0
301.03482	96.0
302.03882	5.2
326.28085	0.9
329.99399	0.8
359.55188	0.9
366.26596	0.9
658.24451	0.9
669.38336	1.0
676.45435	0.9
731.90015	0.9
753.19342	3.7
771.20020	4.6
813.44464	3.1
831.45532	2.2
873.46301	3.6
917.23419	83.4
918.23724	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	917.235
Annotation	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside
Peak:m/z	Relative Intensity
65.00320	6.2
69.36431	2.1
69.36836	1.0
71.01380	0.4
83.01377	3.7
91.01895	0.6
93.03460	1.4
95.01389	0.4
96.95996	0.9
102.75742	0.4
107.01391	12.9
108.02187	1.2
109.02931	3.9
117.03454	2.6
119.01362	0.6
119.04257	0.3
119.05019	6.7
121.02955	8.8
123.04481	0.5
124.01613	0.5
125.02451	0.7
133.02974	1.0
134.24936	0.4
135.00873	1.5
137.02441	0.5
139.04012	0.8
143.05009	0.5
145.02968	4.7
147.00833	0.4
148.01663	1.4
149.02449	1.6
151.00363	45.1
152.00633	0.9
153.22980	0.4
155.05005	0.5
159.04497	1.1
161.02449	1.5
163.00371	4.5
163.03999	4.4
164.01102	1.2
165.01938	0.5
169.01408	1.5
171.04457	0.8
173.06027	0.6
174.03217	0.4
175.03989	1.0
176.95572	0.4
177.58653	0.3
178.99849	21.5
180.00204	0.7
183.04478	1.1
185.06015	0.6
187.02179	0.4
187.03902	1.9
190.99892	1.1
192.00648	0.7
193.01410	1.0
197.02510	0.4
199.03992	3.1
201.02032	0.8
201.05554	1.2
203.03474	0.8
211.03952	2.7
212.04886	0.4
215.03522	1.4
216.04330	0.7
217.04878	0.4
226.02722	1.6
227.03484	5.5
228.04019	0.6
229.05025	3.2
239.03453	0.8
243.02948	10.2
244.03445	0.6
245.04472	2.8
254.02263	2.0
255.02966	25.2
256.03464	1.8
257.04520	1.5
266.02319	0.5
271.02457	61.0
272.02994	4.7
273.03952	3.3
283.02362	1.7
285.04034	5.0
298.98651	0.6
299.01941	17.4
300.02728	67.1
301.03494	100.0
302.03818	5.1
314.00549	0.9
329.02991	0.8
380.78525	0.4
408.98645	0.7
431.02435	0.4
492.96765	0.4
631.18921	0.8
753.18536	2.5
771.19830	17.1
772.20123	2.8
780.21198	0.4
917.23480	48.8
918.23718	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	917.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	7.7
69.29596	3.9
71.01367	0.7
82.42800	0.4
83.01379	4.5
85.02952	0.9
91.01904	0.8
93.03457	1.3
96.96001	0.8
105.23112	0.4
107.01389	12.4
108.02193	2.1
109.02939	4.4
113.02404	0.5
117.03455	3.0
119.01373	0.4
119.05016	7.5
121.02943	9.3
125.02436	1.4
128.53648	0.4
131.05074	0.5
133.02924	0.7
135.00887	1.6
137.02423	0.7
139.03990	1.1
139.95833	0.4
143.05023	0.4
145.02933	4.8
147.00934	0.5
148.01639	1.4
149.02414	1.8
151.00357	50.5
152.00751	0.8
157.02985	0.5
157.06418	0.4
159.04526	1.6
161.02460	1.0
163.00351	6.4
163.03996	5.6
164.01132	1.6
165.01833	0.6
167.04984	0.6
168.09706	0.4
169.01396	1.6
169.02777	0.4
171.04483	0.7
175.03963	1.6
178.99846	22.9
183.04506	1.3
187.04025	2.2
190.99840	0.6
192.00543	1.1
193.01427	1.1
198.03172	0.7
199.03973	3.3
200.04695	0.7
201.01923	0.8
201.05511	1.0
203.03450	1.4
211.03993	3.0
214.02740	0.5
215.03485	1.5
216.04311	0.6
226.02655	1.9
227.03497	5.6
228.04118	0.8
229.05032	2.4
239.03584	0.8
243.02954	12.7
244.03639	0.8
245.04549	3.5
254.02162	2.1
255.02956	27.5
256.03439	1.7
257.04550	1.2
271.02454	68.3
272.03036	4.1
273.03940	2.7
283.02484	1.8
285.04007	1.4
299.01929	17.0
300.02725	79.3
301.03488	100.0
302.03873	5.3
315.05106	0.8
512.78918	0.4
614.67560	0.6
753.18549	2.3
771.05695	0.9
771.19916	13.7
772.20032	1.8
814.29187	0.4
917.23492	55.2
918.24036	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	917.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77030	0.9
64.17051	0.7
65.00320	6.6
70.03723	3.6
71.01376	5.7
72.99306	1.1
73.02931	1.5
73.32948	0.8
79.95750	0.9
83.01397	6.2
85.02937	3.1
89.02457	2.0
91.01879	1.1
93.03439	2.4
95.01379	0.9
96.95994	5.6
99.00872	1.0
101.02425	2.7
107.01389	13.1
108.02186	2.2
109.02961	5.8
113.02474	4.0
117.03428	2.1
119.01369	1.2
119.03553	0.9
119.05025	10.6
121.02960	10.2
123.00889	0.9
125.02422	2.5
133.02924	2.0
135.00856	2.3
139.03912	1.0
142.30281	0.8
145.02951	3.8
147.04501	0.9
148.01701	2.2
149.02414	1.5
150.03156	1.3
151.00363	53.8
159.04524	0.9
161.02425	1.3
163.00359	5.7
163.03993	7.1
164.01128	1.6
165.01895	1.2
165.05530	1.2
169.01407	2.2
173.17688	0.8
174.03247	0.8
175.04005	1.5
178.99846	25.0
183.04547	1.2
187.03990	2.7
190.99750	1.4
191.50882	0.8
199.03986	4.6
201.01949	1.6
201.05508	1.4
203.03513	1.3
211.04004	2.8
215.03444	2.1
216.11404	0.8
226.02728	2.4
227.03488	5.8
228.04079	0.8
229.05000	2.5
239.03326	1.3
243.02956	17.0
244.03308	1.2
245.04433	2.6
254.02191	2.9
255.02954	33.4
256.03531	1.3
271.02451	93.1
272.02887	5.7
273.04004	3.5
283.02411	2.8
285.04099	1.4
299.01974	23.6
300.02734	100.0
301.03491	95.2
302.03867	4.9
315.01257	1.1
384.80328	1.0
753.18964	3.3
771.20050	3.0
790.96674	1.0
813.45038	2.4
873.46466	3.2
917.23438	72.6
918.23816	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	917.474
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55991	1.8
68.25663	2.2
69.03452	2.2
71.01379	44.7
72.99311	2.5
73.02940	9.5
76.70157	2.1
80.02695	3.0
81.03456	5.0
83.01402	4.2
83.05025	5.8
85.02956	13.7
87.00867	6.8
89.02453	24.6
95.01385	4.8
95.05009	3.0
96.96024	11.0
97.02944	7.1
99.00866	3.2
99.04512	2.1
101.02441	28.8
109.06587	6.6
111.08159	4.6
113.02428	14.2
113.97533	2.1
119.03511	8.5
125.02459	12.9
125.09689	2.6
131.03532	2.5
135.08182	2.6
143.03499	6.6
149.02448	10.7
150.03223	27.1
156.49686	2.1
161.02397	3.2
161.04539	7.3
163.11331	9.9
164.04726	4.3
165.05580	14.6
165.12859	3.2
167.10770	2.3
170.80042	2.3
171.10266	41.6
172.10623	1.9
179.05557	8.4
179.10698	2.0
180.04276	3.2
181.12291	7.1
183.44794	1.8
195.06650	10.8
195.13860	10.3
197.11774	2.5
201.11301	33.1
204.82204	2.2
207.10251	17.1
209.11809	75.8
210.12144	6.5
215.12842	2.6
217.89230	2.3
221.06693	4.5
223.13327	4.9
225.11307	44.7
225.13464	1.5
227.12886	11.7
235.08154	7.6
243.12297	5.5
250.24481	2.3
253.09201	2.5
275.20132	12.3
287.07831	2.8
291.19604	31.8
293.21222	100.0
294.21420	3.4
305.08679	3.0
309.20560	3.0
379.12387	7.9
382.94336	2.3
397.13455	53.9
415.14517	18.4
439.14343	3.0
569.24457	2.5
605.24854	4.8
623.25781	11.5
679.40918	2.8
695.41559	5.1
827.45496	15.9
828.45795	3.2
857.46906	35.2
858.47174	6.6
899.46112	7.7
917.48315	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99576	6.0
69.03456	1.7
71.01383	47.3
72.99306	3.0
73.02944	6.8
75.79070	1.4
81.03445	3.3
83.01360	2.6
83.05016	3.0
85.02938	9.6
85.06133	1.3
87.00882	7.4
89.02435	17.7
95.01370	1.8
95.04986	1.6
96.96018	8.6
97.02943	5.5
99.00854	3.0
101.02444	17.0
109.06593	7.2
111.08154	3.5
112.98555	4.9
113.02460	10.7
119.03506	7.5
119.04218	1.5
125.02441	6.6
125.09689	2.9
127.11239	2.1
131.03513	1.4
139.07626	1.5
141.01920	1.7
143.03491	4.2
155.10748	2.7
161.04547	4.5
163.11267	7.3
165.12814	1.5
171.10254	32.7
179.05629	6.2
179.10689	2.6
179.14342	1.2
181.12340	5.1
185.11749	3.0
195.13876	7.1
197.11806	2.8
201.11310	22.5
207.10254	17.4
209.11801	39.4
210.12119	2.1
211.13315	1.5
221.06604	2.8
223.13361	4.8
225.09213	2.4
225.11301	34.8
227.12759	3.7
231.23962	1.4
235.08185	6.2
243.12292	2.6
253.09354	1.7
275.20148	6.5
287.07599	1.6
291.19638	27.3
292.19980	2.4
293.21219	100.0
294.21408	4.8
303.02567	1.3
309.20651	4.6
311.22220	2.0
379.12219	2.7
397.13483	38.5
398.13864	1.5
415.14578	18.2
416.14743	1.3
439.14444	1.9
457.15878	1.5
523.64038	1.6
605.24280	2.8
623.25665	4.4
662.94611	1.3
691.34863	1.4
768.05713	1.3
899.46472	5.8
900.47101	2.3
917.47833	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	917.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99562	1.8
69.03440	1.1
69.58252	4.6
71.01380	17.4
72.90189	0.6
72.99298	1.6
73.02947	2.1
78.87269	0.7
79.95707	0.8
80.02692	1.0
81.03454	3.1
83.01375	2.1
83.05012	7.7
84.02171	1.3
85.02949	4.3
87.00868	3.8
89.02438	11.7
91.88869	0.7
95.01392	2.2
95.05048	0.8
96.96004	20.0
97.02940	4.6
99.00896	1.2
101.02432	12.0
111.08136	6.0
112.98542	1.5
113.02433	6.8
119.03472	3.4
123.04452	0.7
125.02436	5.5
127.07610	0.8
135.08165	1.0
143.03468	3.1
149.02408	0.8
161.04620	3.4
163.11296	5.5
165.12845	3.2
169.12323	2.7
170.95404	0.7
171.10258	2.1
179.05592	3.7
181.12326	1.7
183.13779	0.7
191.10765	1.2
197.11810	31.0
198.12126	1.2
199.13385	1.4
209.11809	100.0
210.12059	3.5
211.13379	5.2
217.07173	0.7
221.06642	2.0
225.11160	1.1
227.12877	13.1
235.08243	5.8
247.20700	1.3
263.20187	1.3
273.18579	1.1
287.07791	1.2
291.19641	17.9
292.20059	1.1
293.21207	2.2
305.08691	0.9
309.20688	77.3
310.20963	5.2
323.09875	1.1
333.20374	1.0
379.12491	3.2
397.13461	43.3
398.14005	2.9
415.14563	17.9
452.74841	0.7
524.61450	0.8
595.94470	0.7
607.26196	2.3
652.11389	0.9
656.32819	0.7
689.33960	2.5
707.34357	1.6
899.45612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86718	1.8
70.34544	2.2
70.34892	7.5
71.01375	19.4
73.69073	2.0
78.95895	3.2
85.02965	2.6
87.00882	5.3
89.02444	14.8
96.95966	3.7
97.02946	6.7
99.00895	2.7
101.02440	15.0
109.06585	18.5
113.02422	10.2
119.03491	5.5
125.02457	6.9
142.02675	2.3
143.03456	3.7
161.04536	4.4
163.11256	10.1
179.05609	6.8
181.12305	4.0
195.98534	2.1
201.11285	13.2
207.10239	72.6
208.10738	2.7
209.11821	7.8
225.11273	32.6
235.08276	5.5
255.23232	7.3
277.21701	58.5
305.08591	2.9
379.12338	11.2
397.08231	4.3
397.13458	82.1
398.13992	4.9
415.14539	16.2
587.23297	5.1
605.24298	8.9
607.46191	2.5
623.25763	4.8
626.83905	2.4
657.34186	2.5
675.36084	11.4
837.49878	2.2
838.69684	2.5
865.46429	6.0
883.46899	100.0
884.47284	15.2
907.34723	2.7
919.44879	48.6
920.44672	5.9
950.63562	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	919.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99327	1.7
71.01381	20.8
71.41727	1.8
71.42056	2.1
72.99300	2.7
73.02938	2.0
79.14021	1.8
81.03465	2.2
82.95404	6.4
83.05041	2.9
85.02946	5.6
87.00871	4.9
88.98788	2.0
89.02442	17.5
95.01437	2.2
96.96008	8.6
97.02948	3.2
99.00871	2.7
101.02425	15.3
109.06581	22.1
113.02437	8.1
119.03478	6.8
125.02426	7.6
143.03490	3.9
161.04495	3.2
163.11273	12.4
179.05574	9.5
181.12318	2.6
189.09146	3.8
196.21770	2.0
199.13200	2.3
201.11324	24.0
207.10246	85.8
208.10631	1.9
209.11806	16.7
210.12032	2.7
221.06606	2.4
222.93976	1.9
225.09198	3.3
225.11296	38.6
227.12854	3.9
235.08205	5.1
255.23228	10.7
277.21713	53.6
278.22025	2.3
287.07550	3.8
305.08701	1.9
321.84705	2.0
323.09738	3.7
379.12405	14.5
397.13486	78.2
398.13956	4.3
398.19629	1.8
415.14490	23.6
416.14801	2.0
587.23279	7.7
605.24451	22.7
623.25861	13.4
635.35901	2.7
653.37408	6.3
675.35724	7.2
837.48383	4.6
865.46204	4.6
883.46869	100.0
884.47363	15.5
919.16498	2.2
919.44977	53.2
920.45984	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	921.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.8
69.12141	1.2
71.01379	14.2
73.02930	3.7
81.03444	1.3
83.01367	2.2
85.02937	4.6
85.84354	1.3
87.00872	4.2
89.02441	7.5
96.95982	2.1
97.02937	8.7
99.00877	14.0
101.02419	8.2
109.06567	4.9
113.02420	5.4
119.03471	2.0
125.02453	6.4
125.09718	5.7
125.42384	1.1
135.08192	1.3
142.02695	1.8
143.03482	2.4
161.04558	2.0
163.11266	9.4
179.05556	1.9
181.12340	14.0
196.21527	1.1
199.13324	1.7
199.28452	1.1
207.10237	44.4
207.12192	2.6
208.10573	1.6
209.11813	8.6
214.02504	1.3
225.11302	55.7
226.11559	1.4
235.08255	2.6
243.10072	1.8
243.12343	18.1
244.12761	1.2
255.23274	54.9
256.23553	3.0
281.24725	5.6
313.18839	1.2
379.12341	3.3
397.13422	12.0
409.14618	1.2
415.14438	1.8
605.24518	15.8
606.24707	1.5
623.25378	4.7
653.38263	1.4
861.48492	100.0
862.48651	14.5
900.84729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.506
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68855	1.4
69.03449	2.3
70.87347	2.9
70.87694	3.2
71.01379	27.5
72.99328	1.8
73.02944	5.8
81.03448	4.1
83.01396	3.1
83.05019	3.1
85.02935	6.4
87.00867	6.2
89.02437	16.0
95.01374	2.9
95.83572	1.8
97.02960	11.6
99.00886	3.3
101.02430	21.1
109.06577	28.8
113.02440	7.9
119.03490	5.5
121.06579	2.1
125.02434	7.7
135.08151	2.6
136.05380	2.0
142.02766	1.7
143.03419	3.4
161.04555	4.4
163.11269	19.8
178.49612	1.7
179.05605	4.4
179.10730	1.7
181.12350	3.0
189.09212	3.3
207.10246	100.0
208.10638	3.6
216.96060	1.6
225.11307	32.9
235.08177	6.7
243.12369	3.4
255.23273	81.5
256.23532	5.2
276.84589	1.7
287.07507	2.0
323.09634	1.8
342.16968	2.0
379.12476	11.9
397.13474	59.7
397.59241	1.9
398.13831	2.7
415.14651	12.6
587.23438	2.7
605.23792	8.4
623.25421	2.5
653.37463	8.8
729.45044	2.0
861.48413	75.1
862.48981	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24065	0.4
67.01872	1.1
68.99820	1.9
69.03457	0.5
70.48689	1.0
70.49043	0.8
71.01376	27.9
72.99307	5.1
73.02934	1.4
75.00858	2.1
77.24078	0.4
83.01387	3.0
85.02955	8.1
87.00875	2.3
89.02438	17.7
93.03461	0.9
95.01380	8.2
96.95982	2.3
97.02928	1.3
99.00859	2.6
101.02435	16.5
107.10765	0.4
109.02927	0.6
111.00858	0.6
112.01627	1.2
113.02445	15.7
116.92835	0.8
119.03507	4.2
120.65210	0.4
123.04481	0.4
124.01647	0.5
125.02428	0.5
137.02422	0.7
139.00359	2.1
143.03500	0.4
157.01431	1.0
161.04558	1.0
175.24757	0.4
182.15048	0.4
341.59619	0.4
376.81451	0.4
407.29462	1.1
421.31223	3.6
422.31354	0.7
423.32541	6.2
439.41119	0.4
743.40472	0.8
878.41711	0.5
923.46375	100.0
924.46570	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	923.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41463	4.7
69.41870	3.9
71.01385	17.5
73.02941	2.1
81.03477	1.8
83.01356	2.2
83.05024	4.5
84.16059	1.2
85.02940	3.0
87.00868	3.8
89.02443	11.1
95.01385	1.8
97.02929	3.1
101.02448	11.6
103.32777	1.1
113.02440	6.4
116.92834	2.3
119.03480	3.8
125.02427	6.1
130.02545	1.2
139.03998	1.5
143.03445	2.0
154.18738	1.1
161.04538	3.0
163.11264	3.7
165.12872	2.3
171.03236	1.1
179.05585	3.2
191.10678	1.6
196.96503	1.2
199.06030	1.0
201.20825	1.2
207.10188	2.2
208.10521	2.1
209.11819	100.0
210.12120	4.1
227.12889	10.7
235.08147	4.0
255.23286	62.9
256.23657	6.2
280.21426	1.3
281.24771	1.5
281.77872	1.2
287.07709	2.4
305.08630	2.9
361.30243	1.3
379.12439	16.7
397.13446	44.8
398.13657	2.9
415.14493	7.0
427.19495	1.4
589.24823	4.8
607.25757	3.8
635.36304	3.2
653.37512	7.3
796.75897	1.5
863.49762	7.6
923.44556	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	924.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
71.82240	42.1
98.20659	100.0
110.97369	48.0
151.67509	42.0
162.76465	37.4
173.37627	45.4
201.20877	37.3
398.32159	42.8
634.77448	39.8
924.45483	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.7
68.99794	1.7
69.81158	1.2
69.81568	1.9
71.01374	27.5
72.99310	3.9
73.02933	0.8
74.10963	0.5
75.00862	2.4
83.01379	3.0
85.02948	11.7
87.00858	1.6
88.98783	0.7
89.02440	20.0
93.03516	0.6
95.01378	6.8
96.95998	2.7
97.02926	1.3
97.07372	0.6
98.20590	1.0
99.00875	2.0
101.02438	13.2
105.79982	0.5
109.02979	0.6
111.00892	0.9
112.01639	1.4
113.02441	14.1
119.03487	2.5
131.03467	1.4
137.02422	0.6
139.00362	0.7
157.01402	1.7
161.04492	0.7
214.64554	0.6
253.02097	0.6
276.87762	0.6
276.91092	0.7
423.32523	1.5
453.33856	1.3
787.43585	0.6
925.47894	100.0
926.48291	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	925.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.9
67.85398	0.6
68.99809	2.7
69.03443	0.8
71.01379	24.4
72.99298	4.5
73.02935	1.7
75.00878	1.5
83.01385	2.9
85.02948	10.0
87.00865	1.7
89.02443	17.1
92.53252	0.7
93.03499	0.7
95.01385	7.8
96.01707	0.6
96.96023	2.0
97.02934	1.8
98.20648	1.7
99.00880	1.8
101.02435	15.6
109.02958	1.0
111.00851	0.7
112.01627	0.9
113.02447	13.8
119.03502	2.9
127.07564	0.6
137.02397	0.7
139.00337	1.4
157.01392	1.3
161.04535	1.5
162.33855	0.6
170.88313	0.7
229.14539	0.8
279.58466	0.6
279.62769	0.7
407.29895	0.8
423.32559	4.3
425.34073	0.8
925.47937	100.0
926.48260	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
67.26109	10.5
68.26202	11.0
71.01403	18.9
71.59351	10.4
101.02424	19.0
121.54569	10.1
209.11815	100.0
210.12239	50.5
211.12300	21.2
219.17026	9.5
235.08157	15.2
255.23332	57.9
256.23590	39.4
339.12381	12.5
343.96924	9.8
349.62747	9.8
397.13367	25.4
398.14246	19.0
399.14276	15.4
417.15607	12.7
452.44330	13.4
460.02466	11.2
538.45801	10.6
730.86377	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	927.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00296	0.7
69.53627	1.7
71.01374	0.7
73.02931	0.4
83.01371	1.5
85.02969	0.3
93.03452	1.9
95.01398	0.5
96.95975	1.7
98.19984	0.6
107.01384	3.3
109.02966	0.5
117.03457	3.5
119.01375	0.6
119.05003	1.6
123.00889	0.3
123.04600	0.4
125.02458	0.6
131.04996	0.6
135.00862	0.6
143.05016	1.0
145.02942	12.6
146.03362	0.3
151.00345	5.7
151.03935	0.3
154.04182	0.5
157.06503	0.5
159.04547	1.4
163.00374	1.5
163.04002	2.0
164.01035	0.5
165.01945	0.6
167.05087	0.3
169.01389	1.4
169.06572	0.8
171.04518	0.6
173.02409	0.5
173.06059	0.3
183.04488	0.8
185.06003	2.0
187.03972	3.5
189.05553	1.0
195.04510	0.5
197.06038	0.9
199.03925	1.0
201.05583	0.5
211.03944	1.5
213.05563	2.0
224.04845	0.3
226.02750	0.3
227.03470	4.0
229.05040	8.3
239.03534	0.9
240.04308	0.7
241.04945	1.4
255.02988	5.7
256.03693	0.7
257.04541	6.6
267.02863	0.6
283.02481	1.1
284.00180	0.6
284.03217	4.4
285.04022	100.0
286.04349	4.4
297.97498	0.7
311.99133	2.2
312.99771	1.8
327.01422	2.3
328.02252	2.6
329.02777	0.6
343.04514	3.7
406.97028	1.9
423.00262	1.5
453.14053	0.7
514.61945	0.3
581.18909	0.4
599.19861	2.0
641.20795	9.0
642.20807	0.8
781.21997	0.6
927.25336	5.7
928.25867	0.8
931.85297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01040	1.1
66.96240	1.1
71.01384	10.4
71.61457	2.0
72.99294	1.2
73.02938	1.3
79.95735	1.6
81.03445	1.7
83.05019	6.4
85.02953	4.0
87.00867	2.6
88.98760	1.4
89.02441	4.9
90.45949	1.2
92.84368	1.2
95.01360	2.0
96.95999	10.6
97.02897	1.3
99.00880	1.4
101.02426	7.9
109.03040	1.3
112.85719	1.2
113.02438	3.7
119.03461	2.4
121.02914	1.5
123.04570	1.3
125.02430	3.9
143.03450	1.4
150.03221	1.8
161.04536	3.3
163.11313	3.3
165.12860	2.6
175.00327	1.2
179.05617	2.4
181.05130	1.3
209.11803	100.0
210.12131	4.4
227.12889	17.3
235.08191	1.8
305.08923	1.6
312.99954	3.0
328.02090	2.5
343.04489	4.6
379.12665	3.0
390.61646	1.4
397.13458	21.9
398.13950	1.2
403.16302	1.3
415.14685	3.2
423.00632	1.9
543.32043	1.8
589.24573	3.1
607.08368	1.3
607.26294	6.7
845.20264	1.2
927.48926	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	927.4954
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
67.01876	0.7
68.99801	1.3
69.03445	0.6
71.01379	27.6
72.01692	0.3
72.99303	3.2
73.02930	1.2
75.00858	2.7
77.65835	0.2
79.97027	0.2
81.03468	0.4
83.01382	3.1
85.02948	8.7
87.00867	2.6
89.02441	17.9
93.03430	0.3
95.01385	6.2
96.96004	0.4
97.02972	1.4
99.00880	2.2
101.02435	12.3
109.02947	0.6
111.00875	0.5
112.01648	1.7
113.02444	11.7
119.03479	2.1
125.02457	0.7
130.68593	0.3
131.03484	0.9
137.02388	0.4
139.00331	1.1
143.03459	0.4
149.04543	0.3
157.01431	1.0
161.04501	1.0
177.56935	0.3
181.12082	0.4
222.78189	0.3
317.55429	0.3
391.29639	0.4
407.33270	0.7
437.34186	0.7
455.35257	1.6
509.21829	0.4
553.38501	0.4
909.39087	0.3
910.40295	0.4
927.49542	100.0
928.49884	15.3
928.69031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.424
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18385	1.7
71.01376	58.0
71.59385	2.4
72.99305	3.8
73.02943	10.9
75.00874	2.3
77.21286	2.1
79.95737	1.7
81.03440	2.0
83.01369	8.5
85.02946	27.8
87.00861	9.1
89.02439	19.1
95.01386	5.8
96.95998	17.3
97.02940	5.2
99.00851	8.9
101.02435	44.6
111.00859	3.0
112.01685	2.2
113.02441	30.7
119.03481	8.4
120.99609	1.7
123.04550	2.0
125.02440	8.0
137.02438	3.9
143.03438	3.7
144.44907	1.6
150.03311	2.5
159.02942	4.1
160.04047	1.8
161.04536	1.9
219.78142	1.7
244.44679	1.9
270.98798	18.5
275.11981	1.8
289.10995	3.0
298.98312	44.5
299.98593	5.0
311.90082	1.9
313.97034	4.0
314.00668	73.0
315.00974	5.5
329.02997	100.0
330.03458	10.5
330.06668	1.9
339.24796	2.2
348.17801	2.8
357.26270	7.1
364.33960	1.9
408.98654	61.0
409.98972	8.0
501.30737	4.9
518.67175	2.3
519.31830	7.1
529.21863	2.0
648.30292	1.7
663.36023	11.9
681.36926	12.0
722.45837	1.9
723.37152	3.6
825.41138	71.2
826.41461	10.2
843.42090	44.1
843.57025	3.3
844.42175	7.7
885.43396	60.4
886.43872	9.4
929.31348	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	931.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80244	3.9
70.57769	4.2
71.01379	12.4
73.02945	4.7
85.02927	4.4
89.02435	10.1
101.02432	10.5
113.02445	6.0
121.02933	5.7
125.02449	7.2
140.49620	4.6
141.12387	5.6
155.85030	4.3
163.63130	4.8
209.04559	7.2
209.11824	100.0
210.11996	4.2
227.12804	24.9
229.54208	6.4
235.08273	5.1
253.62715	4.7
255.23296	59.9
378.19101	4.5
379.12354	26.2
397.13443	55.6
415.14545	10.1
566.30280	5.1
589.24927	15.0
607.26001	8.9
635.36688	13.4
640.25458	4.6
653.37427	19.2
796.34729	4.9
845.48389	15.3
846.48230	4.8
863.49695	6.0
931.50397	95.0
932.50732	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	931.7396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89562	0.9
69.89928	0.4
71.01383	0.4
71.05026	0.3
77.82198	0.2
78.95892	1.3
83.88800	0.2
96.96044	0.9
97.06586	2.2
97.07120	0.3
98.19886	0.3
137.02544	0.3
191.14442	0.2
258.69693	0.2
389.28586	0.6
391.30118	2.2
403.30170	0.3
405.31732	2.5
407.33203	4.6
408.33438	0.4
423.28882	0.2
437.30585	0.5
439.32294	0.7
441.33804	2.4
451.32111	7.7
452.32468	0.7
453.33704	41.0
454.34113	3.6
459.34891	1.9
471.34756	100.0
472.35184	8.9
472.40750	0.2
472.42093	0.4
493.03799	0.3
497.32809	0.6
499.56421	0.2
535.59924	0.2
556.74237	0.2
590.56299	0.2
604.06659	0.2
822.57684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01425	0.3
71.61501	0.3
71.61939	0.4
79.95734	29.8
80.05637	0.3
80.96511	2.6
93.03451	0.8
96.96006	0.6
98.62585	0.3
100.54998	0.3
102.67258	0.3
109.02957	2.3
111.75706	0.3
119.05060	0.3
121.02950	6.8
122.03749	5.1
123.04500	0.9
124.01656	0.6
125.02432	0.8
135.04510	0.8
136.05269	0.4
137.02434	1.6
139.03972	0.3
146.03719	0.3
147.04512	3.2
148.05272	0.4
149.06073	0.5
150.03279	0.3
153.01868	0.3
154.02687	0.3
161.06076	1.0
164.04811	0.3
165.05554	10.9
166.05817	0.4
168.04175	0.3
169.01402	0.8
175.07735	0.3
179.07146	3.7
180.07361	0.4
191.07103	0.5
206.57202	0.3
209.08257	0.6
223.09668	0.4
247.99721	0.3
289.07089	0.4
315.12344	1.0
316.13101	0.4
346.14172	5.5
357.21915	0.3
361.16516	27.6
362.16824	2.4
387.98889	0.3
426.09729	0.4
441.12198	100.0
442.12439	7.5
443.11554	0.3
525.94073	0.4
643.17841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2514
Annotation	Upunaphenol N
Peak:m/z	Relative Intensity
65.00318	3.7
71.01382	1.8
83.01402	2.2
85.02941	1.0
88.82840	0.7
91.01906	0.9
93.03458	1.3
96.96027	2.8
101.02435	0.7
107.01389	8.0
108.02172	2.9
109.02956	4.3
119.01367	0.7
121.02937	6.3
125.02441	1.5
135.00879	1.8
137.02522	0.7
148.01642	1.3
149.02406	1.7
151.00359	37.6
151.04015	1.2
152.00780	1.1
159.04469	1.0
161.02428	0.9
163.00400	5.7
163.04073	0.6
164.01125	1.1
165.02074	0.6
167.05028	0.7
167.06813	0.6
167.31409	0.7
169.01459	1.3
170.50690	0.7
175.03995	1.2
178.99850	16.8
183.04333	0.8
187.03981	1.7
189.01953	0.6
190.99861	1.0
192.00589	1.2
193.01399	0.9
199.03966	1.6
203.03505	1.1
211.04030	2.0
215.03426	0.8
216.04227	1.2
226.02678	1.5
227.03470	5.3
229.05029	2.0
232.03784	0.8
239.03419	0.8
243.02956	13.8
244.03658	0.7
245.04520	3.1
254.02139	2.9
255.02974	33.1
256.03372	2.4
271.02466	64.5
272.02936	5.8
273.04080	3.2
283.02460	2.5
299.01987	2.0
300.02740	100.0
301.03491	76.6
302.00751	0.7
302.03946	3.5
305.10583	1.7
415.15958	0.9
600.03137	0.8
691.64069	0.7
876.19690	0.8
915.07269	0.9
933.25128	65.5
934.25269	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	933.469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.7
71.01374	78.5
71.05027	1.6
71.06984	3.8
72.99285	3.5
73.02948	9.2
79.95713	3.4
81.03434	3.7
83.01382	7.2
83.05013	6.8
84.02129	1.6
85.02950	14.6
86.28781	1.4
87.00864	9.8
89.02434	34.3
95.01389	4.7
95.05016	4.2
96.96003	72.7
97.02924	14.6
97.06584	4.5
99.00856	4.3
101.02435	29.3
109.02922	1.7
109.06575	9.4
110.03721	1.9
111.08152	7.6
113.02448	18.8
115.61507	1.4
119.03501	8.1
121.02878	2.4
123.04511	2.9
125.02419	12.1
125.05959	1.4
125.09688	5.3
127.11299	3.1
131.03464	1.7
135.08153	3.2
135.89165	1.8
137.09698	3.0
141.01955	2.1
143.03458	4.8
149.09718	1.8
151.11290	3.4
153.09158	2.5
153.12846	1.4
155.10736	3.5
161.04530	5.9
161.09660	2.0
163.10202	1.4
163.11287	15.1
165.12889	7.2
167.10750	2.2
169.12317	3.2
171.08786	2.6
171.10245	48.0
172.10536	2.4
179.05573	10.6
181.12335	8.5
183.13922	1.7
185.04517	2.1
185.11784	5.9
189.09187	3.2
191.10773	1.4
191.14372	2.4
193.12216	1.5
194.20125	1.6
197.11804	33.8
199.09718	1.5
199.13409	2.4
201.11308	38.7
207.10249	26.9
209.11804	72.4
210.12184	3.0
211.13393	9.8
215.12901	1.9
216.29179	1.4
221.06650	5.7
225.11296	53.5
226.11540	2.2
227.12892	13.8
235.08252	10.6
243.12259	4.5
245.19090	4.5
247.20680	2.2
253.09193	5.1
263.20053	3.2
287.07550	2.1
289.18066	13.4
291.19641	32.9
292.19907	2.8
305.08847	2.7
307.19092	13.2
309.20694	100.0
310.20929	5.1
331.56204	1.3
333.20377	2.0
341.23132	1.5
379.12378	5.8
382.06168	1.5
397.13464	53.9
398.13803	3.1
415.14523	21.9
416.14850	1.6
439.14374	2.3
605.24500	5.0
623.25549	7.7
915.45947	11.6
916.45831	3.0
933.46838	5.7
934.45685	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	933.483
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56797	2.7
68.99551	2.8
71.01375	52.0
72.99296	4.3
73.02940	4.5
78.95911	4.2
81.03457	2.6
85.02953	5.7
87.00885	5.1
89.02444	23.4
92.85905	2.6
96.95963	2.6
97.02941	7.3
99.00883	3.8
101.02447	19.7
109.06585	6.7
113.02445	11.2
116.21514	2.5
119.03484	4.5
125.02431	8.9
125.09745	3.3
150.58029	2.8
150.72287	2.6
161.04462	5.3
163.11267	5.9
171.10258	33.1
179.05521	6.0
180.44951	3.4
181.08644	2.4
181.12256	3.9
199.09760	24.9
199.13309	3.4
201.11301	39.9
207.10182	23.6
225.11313	25.0
229.14600	2.9
235.08157	9.0
253.09201	2.9
255.23270	100.0
256.23618	5.5
379.12408	7.0
397.13419	70.6
398.14142	3.6
415.14447	14.3
419.31512	3.2
585.42047	2.7
623.24860	3.7
635.36017	3.6
653.37592	8.7
835.46954	26.2
836.46924	3.5
843.45233	7.5
861.48334	29.4
862.49036	5.3
879.49384	10.0
897.50543	42.2
898.50641	9.2
933.46265	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98288	1.3
82.95443	0.7
109.23141	0.4
148.89503	0.3
161.21049	0.3
182.30898	0.3
211.86633	0.3
225.36678	0.3
407.32922	2.2
443.95273	0.4
455.35257	100.0
456.35574	10.3
933.69470	85.6
934.69855	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	934.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58525	0.6
81.03465	0.4
83.01396	0.9
84.98710	0.3
85.02962	0.6
93.03437	0.4
95.05042	0.4
96.96024	0.6
97.02917	0.7
107.03787	0.9
107.05042	0.5
108.04556	100.0
109.02948	3.9
109.04895	2.3
121.02974	0.8
123.04520	3.0
124.51130	0.3
125.02445	20.1
131.05052	0.3
132.04588	0.4
133.02954	0.7
135.04453	0.4
137.02452	4.3
139.03984	0.5
149.02432	1.1
150.05600	86.1
151.04042	2.8
151.05965	2.5
159.04471	0.8
161.02448	5.9
161.06078	0.7
163.00349	0.3
163.03973	1.0
164.01134	0.8
165.01927	1.0
175.04027	2.1
177.01898	1.2
178.46541	0.3
179.03481	1.2
187.04015	1.3
188.04733	0.6
201.05600	0.4
203.03514	0.6
203.07114	1.7
205.01474	0.4
205.05013	1.5
211.03955	0.3
213.05603	0.3
214.02602	0.4
215.03601	0.5
229.05107	0.8
231.02998	0.4
243.03088	0.4
245.04529	1.1
245.08177	3.2
255.03038	1.0
256.03708	0.9
257.04422	0.5
269.04642	0.6
273.03922	1.0
273.40698	0.3
275.01904	0.9
281.04605	0.6
283.02414	0.6
285.04144	0.6
287.05566	3.7
289.07169	13.5
290.07339	0.6
299.05573	1.8
300.99854	2.1
302.10861	0.3
312.10944	1.7
313.10962	0.3
339.08630	1.2
341.17075	0.4
356.09857	12.5
357.10196	0.7
407.07697	13.1
408.08060	1.0
425.08755	15.3
426.09134	1.4
451.04590	0.5
451.10373	4.4
452.10678	0.5
559.12634	0.6
577.13434	15.9
578.13458	1.5
783.07050	0.5
854.93164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93210	0.5
69.93613	0.3
78.12676	0.1
79.95733	9.0
80.96485	0.7
85.02953	0.1
86.09525	0.1
96.96014	1.9
101.07050	0.1
108.50696	0.1
121.02953	1.2
128.92056	0.1
135.04486	0.3
138.40886	0.2
145.02960	0.3
147.04483	0.6
159.04468	0.9
160.05032	0.1
179.33012	0.1
186.06807	0.4
187.07594	0.6
192.07930	0.3
212.04712	0.2
224.07074	0.2
240.04248	0.5
241.08701	0.3
251.07129	0.3
255.10040	0.7
263.07263	0.1
265.08572	0.2
267.10309	0.2
267.45160	0.2
269.08167	13.7
270.08591	0.7
270.12509	0.4
271.02509	0.2
271.09738	0.6
281.08182	2.1
283.09741	4.2
284.10080	0.3
291.12671	0.3
294.08987	0.3
295.09628	0.8
296.10428	0.4
297.11340	0.2
298.12042	0.6
299.09222	9.0
300.02667	0.3
300.09534	0.4
301.03363	0.4
302.03650	0.2
309.11276	0.5
310.12051	0.5
311.09241	11.6
312.09702	0.7
313.10764	0.3
314.11569	17.8
315.11929	1.0
325.10776	1.8
326.11554	10.6
326.17328	0.2
327.11926	0.6
329.13904	40.5
330.14236	2.5
341.13901	14.7
342.14224	1.1
359.14954	0.3
391.13882	0.4
409.09592	2.5
433.07611	0.2
434.07803	0.2
435.08243	0.2
439.10632	100.0
440.10962	6.8
440.17056	0.3
720.28491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93210	0.5
69.93613	0.3
78.12676	0.1
79.95733	9.0
80.96485	0.7
85.02953	0.1
86.09525	0.1
96.96014	1.9
101.07050	0.1
108.50696	0.1
121.02953	1.2
128.92056	0.1
135.04486	0.3
138.40886	0.2
145.02960	0.3
147.04483	0.6
159.04468	0.9
160.05032	0.1
179.33012	0.1
186.06807	0.4
187.07594	0.6
192.07930	0.3
212.04712	0.2
224.07074	0.2
240.04248	0.5
241.08701	0.3
251.07129	0.3
255.10040	0.7
263.07263	0.1
265.08572	0.2
267.10309	0.2
267.45160	0.2
269.08167	13.7
270.08591	0.7
270.12509	0.4
271.02509	0.2
271.09738	0.6
281.08182	2.1
283.09741	4.2
284.10080	0.3
291.12671	0.3
294.08987	0.3
295.09628	0.8
296.10428	0.4
297.11340	0.2
298.12042	0.6
299.09222	9.0
300.02667	0.3
300.09534	0.4
301.03363	0.4
302.03650	0.2
309.11276	0.5
310.12051	0.5
311.09241	11.6
312.09702	0.7
313.10764	0.3
314.11569	17.8
315.11929	1.0
325.10776	1.8
326.11554	10.6
326.17328	0.2
327.11926	0.6
329.13904	40.5
330.14236	2.5
341.13901	14.7
342.14224	1.1
359.14954	0.3
391.13882	0.4
409.09592	2.5
433.07611	0.2
434.07803	0.2
435.08243	0.2
439.10632	100.0
440.10962	6.8
440.17056	0.3
720.28491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.6
68.99815	2.6
69.03457	0.4
70.71997	0.5
70.72321	0.3
71.01379	29.9
71.30514	0.2
72.01739	0.2
72.99307	4.4
73.02942	1.4
75.00865	2.3
81.03467	0.4
83.01380	3.8
85.02947	9.8
85.03462	0.5
87.00881	1.8
89.02440	17.0
93.03471	0.3
95.01384	7.6
97.02957	1.3
99.00877	3.0
101.02439	15.9
106.90234	0.2
109.02962	1.1
111.00898	1.0
112.01672	1.5
113.02444	15.2
114.13894	0.3
119.03504	3.0
123.04565	0.3
125.02441	0.3
131.03485	0.5
137.02426	0.6
139.00366	1.8
141.44136	0.2
143.03471	0.8
149.04457	0.5
157.01398	1.5
161.04536	1.1
168.26910	0.2
177.71956	0.2
195.89034	0.2
206.60658	0.2
217.62779	0.2
229.13509	0.2
233.15416	0.2
301.05582	0.4
381.40732	0.2
407.29651	0.3
421.30939	0.7
423.33090	0.3
439.32089	3.4
440.32632	0.6
441.33820	2.3
509.36380	0.6
527.32990	0.3
537.35297	0.4
761.41034	0.4
779.41583	0.4
808.98950	0.2
941.47400	100.0
942.47662	13.2
942.67285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.474
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	1.0
68.99816	1.6
69.03455	0.7
70.73817	0.7
71.01377	26.7
72.99307	5.2
73.02943	5.2
75.00866	3.6
77.18557	0.3
81.03423	0.4
83.00914	0.5
83.01382	10.6
85.02945	18.8
86.00085	0.9
87.00398	0.5
87.00874	7.0
89.02440	11.3
93.03446	0.4
95.01385	6.3
97.02949	2.9
99.00873	5.7
101.02437	16.1
103.74135	0.3
107.22144	0.3
111.00871	12.5
112.01660	0.4
113.02446	19.3
115.00354	0.4
119.03481	4.4
125.02463	2.7
129.01913	1.1
131.03494	7.5
137.02463	1.6
139.00374	2.3
143.03455	1.9
143.88991	0.4
146.03716	0.6
149.02408	0.3
157.01448	0.8
159.02942	1.3
161.04555	7.2
164.01167	0.5
165.01915	1.5
167.03484	0.5
179.05682	2.1
221.06615	8.8
263.07687	0.4
271.13315	0.9
311.07071	0.3
313.14444	0.5
332.04364	0.3
381.47516	0.4
405.27383	0.4
419.18701	0.5
439.32095	1.2
441.33698	0.8
499.12369	0.4
617.37140	0.6
767.50739	0.4
773.37372	0.7
779.45148	0.9
923.41492	1.5
941.47430	100.0
942.47668	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	941.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.9
68.99789	0.4
69.03452	3.5
70.72288	0.8
70.72600	0.4
71.01376	9.9
72.99303	74.6
73.02901	0.4
75.00854	0.6
83.01381	12.7
85.02941	3.2
87.00901	0.5
89.02425	0.6
92.12716	0.4
95.01381	23.2
96.96031	1.8
101.02424	1.4
111.00858	0.6
113.02443	40.5
116.92784	0.4
125.02409	0.4
139.00360	15.4
157.01407	22.8
205.26062	0.4
211.13385	0.5
380.52243	0.4
406.56534	0.5
407.29630	0.5
423.32635	1.4
439.31802	0.8
441.33597	4.4
581.34784	0.8
599.35834	100.0
600.36200	9.9
600.43396	0.2
941.47772	7.6
942.48639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33625	24.6
69.34055	58.8
69.90068	9.0
71.01398	58.8
73.02937	11.9
85.02953	11.4
87.00863	14.4
87.97765	9.6
89.02440	31.0
99.00890	8.6
101.02456	31.2
109.06593	13.9
113.02461	12.3
125.02429	12.0
138.09453	9.4
178.66217	9.4
179.05495	18.5
195.13785	10.3
205.12306	12.0
207.10211	37.0
223.13390	100.0
224.13733	32.4
225.11305	26.0
255.23175	32.9
277.21735	61.8
278.21991	30.2
281.24899	10.5
351.80695	11.3
379.12625	13.5
397.13446	66.1
398.13959	22.1
415.14450	17.2
420.12720	11.1
513.77423	13.5
590.20209	11.4
604.27124	18.5
621.27301	14.5
657.34564	10.7
861.49365	13.7
882.48248	13.1
888.50690	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	943.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	1.2
71.60688	0.2
72.99315	0.2
75.00890	0.1
77.93200	0.1
83.01379	1.6
84.94257	0.1
85.02943	0.7
87.00859	0.3
88.76054	0.1
88.98817	0.7
89.02448	0.6
91.01894	0.4
93.03448	2.4
95.01408	0.5
96.96025	0.8
97.02966	0.2
99.00876	0.2
101.02438	0.9
107.01384	3.7
107.02113	0.2
108.02128	0.2
109.02946	1.0
110.23952	0.2
113.02449	0.7
113.03170	0.2
117.03463	6.6
119.01389	0.3
119.03580	0.2
119.05013	2.7
120.01299	0.2
121.02956	0.5
123.00890	0.2
123.04543	0.2
125.02428	1.1
127.04012	0.2
130.04243	0.3
131.05023	0.5
132.02151	0.2
133.02974	0.3
135.00882	1.0
137.02444	0.5
141.07048	0.2
143.05005	1.5
145.02945	19.9
146.03322	0.5
147.04535	0.3
148.01636	0.2
150.03172	0.3
151.00360	7.0
151.03677	0.2
153.01897	0.4
154.04243	0.4
155.04984	0.4
156.05780	0.4
157.06601	0.9
158.03775	0.4
159.04501	2.0
161.02376	0.2
161.04576	0.3
161.05934	0.3
163.00381	2.4
163.04001	4.1
164.01111	0.5
165.01880	0.5
165.05498	0.2
167.05013	0.5
169.01433	1.1
169.06596	1.1
171.04488	1.0
172.05081	0.2
173.02393	0.3
173.06087	0.3
174.03035	0.2
175.03963	0.2
177.05476	0.2
178.99825	0.3
179.05576	0.8
183.04552	1.1
184.05315	0.1
185.06046	2.7
187.04004	4.4
189.05525	0.7
192.00566	0.3
195.04463	0.6
195.06458	0.2
196.05269	0.3
197.06108	0.8
198.03244	0.2
199.03935	1.0
201.05602	0.8
205.05083	0.2
211.02176	0.2
211.04008	2.2
212.04729	0.4
213.05562	2.3
214.02682	0.5
215.03485	0.6
217.04974	0.2
223.04037	0.2
226.02516	0.2
227.03496	5.2
228.04018	0.2
229.05026	10.7
230.05339	0.3
239.03488	1.5
239.07600	0.2
240.04285	0.7
241.05035	1.3
243.02930	0.5
255.02968	7.7
256.03641	1.3
257.04538	6.8
258.04761	0.3
267.02835	0.7
268.03601	0.2
271.02466	0.6
275.01938	0.2
283.02457	1.2
284.03232	5.4
285.04025	100.0
286.04358	4.7
299.01990	0.3
300.02869	0.7
300.99866	0.5
301.03519	1.6
307.08203	0.3
325.09329	0.2
327.04898	0.2
380.24005	0.2
386.41937	0.2
429.07556	0.2
435.12744	0.2
453.14059	0.8
511.16925	0.2
597.17987	1.1
615.19171	2.9
616.19971	0.3
616.28711	0.2
642.68127	0.2
657.20245	12.3
658.20715	1.0
779.20441	0.5
797.21674	0.7
800.75555	0.2
865.81274	0.2
943.24811	6.4
944.25323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98873	0.4
72.34185	0.2
72.79262	0.2
79.95732	9.1
80.96510	0.4
81.95267	0.2
86.61002	0.2
96.96003	1.4
104.97083	0.2
121.02958	1.6
135.04491	0.5
145.02890	0.4
147.04478	0.6
159.04466	0.4
172.47105	0.2
192.07828	0.5
240.04263	0.4
251.07028	0.4
253.08598	0.3
255.10210	0.9
269.08163	12.5
270.08517	0.9
270.12570	0.3
271.09610	0.3
281.08163	1.8
282.08688	0.2
283.09738	4.2
284.10172	0.4
285.98499	0.2
294.09106	0.3
295.09714	0.5
296.10489	0.6
297.11426	0.4
298.12091	0.5
299.09219	9.5
300.09500	0.6
309.11215	0.4
310.12067	0.6
311.09229	12.0
312.09579	0.9
313.10660	0.4
314.11557	17.8
315.11865	1.2
325.10800	1.8
325.16922	0.2
326.11545	11.0
327.11960	0.9
328.12436	0.3
329.13904	39.5
330.10791	0.3
330.14301	3.7
331.14502	0.4
341.13889	15.7
342.13953	1.3
409.09555	2.6
410.10028	0.3
439.10629	100.0
440.10965	9.9
440.17090	0.4
441.10654	3.3
452.63214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	1.0
67.41572	0.3
68.99813	2.2
69.03437	1.0
71.01379	32.5
71.13087	0.5
71.13439	0.5
72.01693	0.3
72.99302	4.5
73.02933	1.4
75.00867	2.4
77.58878	0.3
81.03448	1.2
83.01382	5.4
84.02163	0.4
85.02946	10.7
87.00871	2.6
89.02441	19.1
93.03455	1.1
95.00808	0.6
95.01388	8.6
96.96011	1.1
97.02929	2.5
99.00884	2.3
99.04512	0.4
101.02440	18.2
102.02760	0.5
109.02960	2.1
109.06564	0.8
111.00875	0.9
111.04481	0.6
112.01659	1.8
113.02449	16.2
119.03497	3.7
121.02946	0.9
123.04509	0.6
125.02445	8.3
125.03299	0.3
131.03491	0.4
134.20526	0.3
135.04498	0.7
135.65895	0.3
137.02437	7.5
139.00340	1.9
139.03990	0.6
143.03452	0.5
146.03735	2.1
149.02435	0.6
151.04028	0.8
157.01396	1.5
159.04515	1.0
161.02495	0.4
161.04532	1.2
161.05896	0.3
163.00354	0.4
163.11311	0.6
164.01161	1.8
165.01920	4.8
167.03465	2.5
172.05380	0.6
173.06071	0.4
174.03232	1.2
174.06841	0.5
175.03981	0.8
176.01434	0.3
176.04839	0.3
177.01923	1.3
179.03468	1.2
188.04832	1.1
201.05423	0.5
204.04210	0.8
207.10303	1.3
212.04788	0.5
224.04755	0.3
225.05522	0.4
225.11270	0.7
269.11893	0.4
271.13416	2.7
285.14948	0.4
289.14590	0.7
293.68375	0.3
295.13257	0.4
299.12866	0.6
309.15350	0.4
311.12442	0.3
313.14362	1.1
319.06580	0.4
325.14374	0.8
337.14423	0.8
419.18701	1.0
421.31488	0.4
423.32858	0.7
437.19812	0.7
439.32251	0.9
441.33719	3.7
443.35349	0.5
463.17313	0.4
511.37860	1.1
719.46185	0.4
763.43024	0.6
775.36115	1.2
781.44470	0.5
787.35150	0.7
788.35425	0.4
799.34564	0.7
805.36798	1.1
881.40155	1.4
907.38440	1.1
908.37238	0.4
925.38385	6.1
926.38617	1.2
943.49335	100.0
944.49817	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	15.8
71.05003	1.9
71.59556	1.7
73.02905	1.6
75.00864	2.2
81.71342	1.5
83.01379	2.6
84.15748	1.5
85.02959	3.4
87.00864	6.1
89.02435	8.8
92.84261	1.6
97.02945	12.0
97.06590	2.5
99.00883	15.6
101.02449	10.5
109.06593	7.7
110.96728	1.7
113.02420	7.3
125.02435	10.1
125.09692	5.9
128.79681	1.3
128.90514	1.4
135.08096	1.9
142.02682	3.0
143.46106	1.7
161.04587	2.7
163.11292	13.4
179.05611	3.2
180.96054	1.7
181.12341	19.1
184.48003	1.3
193.04723	1.7
199.13390	4.0
207.10258	59.2
208.10599	3.5
209.11772	2.5
221.06564	3.3
225.11310	84.3
226.11592	1.9
235.08112	1.8
243.12364	28.4
253.54462	1.8
254.79576	1.6
277.21716	49.4
278.22061	2.9
317.16077	2.9
335.17346	2.4
379.12350	2.2
397.13608	9.9
415.13821	2.5
441.44556	1.5
515.39459	1.6
526.07635	1.5
605.24487	24.7
606.24561	2.7
623.25562	24.0
883.46967	100.0
884.47144	16.3
954.00769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.1
71.01379	23.5
71.11787	0.6
72.99294	1.0
73.02940	3.3
80.02675	1.4
81.03455	3.7
82.19598	0.6
82.44315	0.8
83.01382	2.5
83.05013	2.7
85.02952	6.6
87.00855	5.8
89.02443	16.8
89.02989	1.0
95.01387	1.5
95.04998	1.5
97.02957	9.4
99.00880	2.3
101.02447	14.1
106.20086	0.6
107.05030	1.0
109.06589	35.8
110.03740	1.7
111.00861	1.0
111.04533	1.0
113.02448	8.5
119.03500	4.3
121.02936	0.8
121.06583	2.2
123.04517	0.8
125.02439	7.0
130.80971	0.7
131.03534	1.2
135.08182	3.7
136.05310	1.2
141.01994	1.8
142.02705	2.0
143.03505	2.7
161.04491	3.5
161.09721	2.6
163.11284	20.8
164.11609	1.0
179.05623	5.2
179.10835	0.8
181.12305	5.0
189.09169	2.6
207.10248	100.0
208.10669	4.4
209.11916	3.4
217.07074	1.2
221.06662	2.9
225.11311	47.0
226.11583	1.8
235.08197	5.0
243.12358	2.2
253.09325	1.0
277.21716	56.2
278.22021	2.9
287.07684	1.7
299.15009	1.9
305.08768	2.1
323.09753	1.7
354.97522	0.8
379.12442	8.7
397.13489	42.6
398.14041	1.6
415.14508	13.6
441.33847	0.9
587.23395	4.0
605.24518	10.7
623.25464	9.5
624.26331	0.9
657.35095	0.9
675.35632	1.7
751.12787	0.7
865.45691	3.3
883.46863	69.2
884.47095	9.7
884.62604	1.0
900.16248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.1
70.81647	0.7
71.01380	24.9
71.19521	0.8
71.48508	0.7
72.99309	2.1
73.02943	4.0
81.03429	3.7
83.01386	2.7
83.05029	2.7
85.02955	6.8
87.00867	4.5
89.02438	19.6
93.03410	0.8
95.01395	1.5
97.02943	13.2
97.06581	1.1
98.19880	3.1
99.00868	3.3
101.02441	17.7
106.04237	0.9
107.05057	1.6
109.06583	34.4
110.03713	1.6
111.04515	1.1
113.02434	11.8
119.03499	5.6
121.06580	1.6
123.04488	0.9
125.02434	6.9
125.09698	1.0
131.03516	1.1
133.06584	0.8
135.08168	5.3
136.05293	2.4
141.01833	0.9
142.02725	2.7
143.03496	3.3
161.04535	3.7
161.09712	3.0
163.11273	19.6
167.03473	1.2
179.05606	5.3
179.10736	1.4
181.12299	3.6
189.09195	2.3
201.11285	1.1
207.10245	100.0
208.10585	2.9
209.11766	4.0
209.82933	0.8
217.07278	0.8
221.06589	2.7
225.11301	38.1
226.11772	0.9
229.51038	0.9
235.08195	7.1
243.12376	1.0
277.21701	77.9
278.21994	3.9
287.07736	2.2
299.14990	1.3
305.08875	1.9
323.09805	2.0
326.67361	0.9
379.12415	9.7
380.13007	0.9
391.29953	0.8
397.13480	62.3
398.13724	2.4
407.33124	1.3
415.14536	12.9
441.33627	2.5
451.32144	3.9
453.33688	14.1
485.36356	12.1
497.32306	0.9
587.23242	1.8
605.24579	7.5
608.63208	0.9
614.79749	0.9
623.25336	4.2
675.35577	4.0
865.45740	3.5
883.46918	70.6
884.47211	10.5
909.05066	0.9
939.39227	0.8
956.95447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.3
71.61784	0.3
79.95727	0.4
83.01368	0.4
85.02967	0.3
93.03461	0.8
95.01365	0.2
96.96012	1.3
101.02443	0.3
107.01409	1.1
108.02186	0.7
109.02956	0.5
113.02472	0.2
120.99648	28.4
121.02955	0.8
121.16392	0.2
122.00014	0.4
122.26545	0.2
125.02447	0.3
127.95131	0.2
135.00880	0.4
136.01678	0.4
137.02443	1.8
148.01672	0.9
149.02377	0.4
150.03186	0.2
151.00349	4.7
153.01913	0.2
161.02457	0.2
163.00375	1.1
164.01115	0.4
165.01932	0.2
169.01561	0.2
175.03989	0.3
178.99879	1.9
179.03458	1.5
180.20932	0.2
199.03908	0.2
211.03955	0.6
215.03513	0.3
216.04218	0.2
226.02673	0.8
227.03532	1.4
229.05011	0.2
239.05656	1.1
243.00510	0.2
243.02953	4.9
243.96832	0.5
244.03358	0.4
245.04486	0.6
254.02242	1.6
255.02956	15.5
256.03445	0.6
257.04401	0.2
269.08289	0.3
271.02448	33.1
272.02850	2.0
273.03909	0.4
283.02472	0.5
291.12640	1.2
299.01965	0.7
300.02719	81.1
301.03415	18.0
302.03769	0.7
314.11572	0.3
326.11911	0.2
329.13776	1.2
341.14069	0.4
433.07687	100.0
434.08017	6.3
439.10587	2.2
440.10809	0.3
443.15634	3.8
444.15613	0.4
511.17020	0.3
608.87408	0.2
747.28809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02507	0.2
69.38634	1.4
70.24060	0.2
79.95735	10.2
80.96513	0.7
96.96011	2.1
109.02932	0.2
109.16328	0.2
120.99587	0.2
121.02960	1.7
135.04506	0.5
145.02982	0.4
147.04471	0.7
149.55742	0.2
159.04483	0.4
192.07957	0.3
224.04851	0.2
235.09778	0.3
240.04224	0.5
241.08713	0.2
251.07094	0.4
253.08611	0.2
254.05800	0.2
255.02882	0.2
255.10260	0.7
269.08176	15.6
270.08578	0.9
270.12613	0.5
270.59842	0.2
271.09760	0.5
281.08179	2.3
282.08661	0.2
283.09750	4.1
284.10181	0.5
291.12695	0.6
294.08817	0.3
295.09680	0.7
296.10434	0.7
297.11124	0.2
298.11993	0.7
299.09216	10.1
300.02695	0.8
300.09534	0.6
301.03427	0.3
309.11237	0.3
310.12149	0.6
311.09259	12.8
311.12518	0.5
312.09683	0.8
313.10678	0.5
314.11591	18.0
315.11935	1.0
325.10785	1.9
326.11560	11.4
327.11954	0.8
329.13919	43.0
330.14267	2.8
341.13901	15.7
342.14432	1.2
409.09598	2.5
424.07413	0.2
433.07758	0.8
439.10635	100.0
440.10989	7.1
440.17090	0.4
441.10614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	3.6
71.01382	5.9
73.02934	1.2
75.00867	1.0
75.16358	1.0
77.03945	1.4
81.03432	2.5
83.01389	13.1
83.05016	2.7
85.02943	2.7
89.02422	3.1
93.03451	8.1
95.01364	3.4
95.04993	1.5
96.95987	5.1
97.02920	6.3
101.02412	3.7
108.02139	3.1
109.02336	1.2
109.02953	13.2
111.00816	2.5
113.02394	3.9
118.15897	1.2
121.02156	1.6
121.02948	20.8
122.03741	8.4
123.04481	3.3
124.01617	4.5
125.02438	62.0
126.02760	1.3
133.02986	5.3
135.04491	5.3
136.01578	1.3
137.02438	100.0
138.02864	2.5
139.03877	1.1
145.02888	1.2
146.03691	2.4
147.04422	3.1
148.05241	1.7
149.01312	1.3
149.02431	19.8
149.05988	1.3
150.03221	22.9
151.03922	5.2
153.01878	1.3
154.02626	3.0
159.04549	6.2
161.02443	24.3
161.04451	1.8
161.06003	1.1
162.03120	2.7
163.00342	2.8
163.03841	1.4
163.07637	1.5
163.11203	2.6
164.01147	15.9
165.01923	91.2
165.12721	1.9
166.02306	2.5
167.03439	1.8
171.04413	1.3
172.05215	4.2
173.06065	8.5
174.03204	1.6
175.03983	14.3
177.01852	4.0
177.05469	4.1
179.03459	8.7
183.04416	1.9
183.13889	2.3
187.07684	1.4
189.05472	3.6
191.07089	2.1
197.05957	1.5
199.03839	1.5
200.04688	1.7
201.05576	13.6
202.06171	1.5
203.03482	5.8
203.06985	1.6
204.04149	2.2
209.11807	64.0
210.12035	3.5
211.13385	50.5
212.13794	1.7
213.05469	1.7
215.07054	4.6
217.04979	3.1
219.06551	5.6
223.02432	1.1
225.05554	5.3
226.06148	1.2
227.12863	10.2
235.08122	1.7
241.04968	3.3
243.02939	1.8
243.06563	5.9
245.04456	3.3
245.08086	2.1
253.09143	4.4
258.05307	2.2
259.06058	14.8
269.04584	7.9
287.05600	49.7
288.06351	21.5
289.07053	9.3
297.14780	2.8
445.20544	5.2
447.22452	6.1
539.96283	1.3
621.32520	2.7
639.33618	6.8
657.34283	2.8
807.38074	3.6
901.42438	1.6
927.39496	9.1
928.40649	1.8
944.47491	2.0
945.40625	53.5
946.41364	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	945.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98238	1.4
69.03442	3.1
71.01364	7.1
73.02938	1.9
74.61423	1.4
81.03434	2.7
83.01383	14.1
83.04998	2.9
85.02929	3.1
87.00865	1.7
89.02417	4.2
93.03434	7.7
95.01363	3.4
96.96025	6.8
97.02937	7.5
101.02419	5.2
101.38657	1.2
107.01393	1.6
108.02148	4.6
109.02942	21.8
110.79101	1.3
113.02434	3.1
116.48215	1.4
121.02945	19.2
122.03736	11.6
123.04529	3.6
124.01640	8.1
125.02439	55.4
125.06007	1.5
133.02913	2.8
135.04497	7.3
137.02435	100.0
138.03252	3.2
139.04030	3.0
145.06537	2.6
146.03703	1.8
147.04463	5.0
148.05305	1.5
149.02431	24.2
149.06009	2.5
150.03210	44.3
151.03879	6.1
154.02718	3.4
158.03712	1.9
159.04529	12.7
161.02425	18.3
161.04512	2.9
161.06020	2.6
162.03143	3.5
163.00302	2.3
163.03899	1.7
163.11221	2.5
164.01160	16.2
165.01918	87.9
166.02309	2.4
167.03404	2.4
171.04512	2.0
172.05243	4.4
173.06061	12.6
174.03157	4.6
175.03972	18.9
176.04575	2.4
177.01901	6.4
177.05499	6.6
179.03491	8.8
183.04424	4.4
183.13835	4.8
186.02863	1.8
187.03976	2.4
187.07570	1.6
189.05484	5.9
191.06998	1.8
197.05997	3.5
199.03970	3.6
200.04704	3.1
201.01865	1.9
201.05537	20.8
203.03458	9.1
203.07123	1.8
205.98761	1.4
209.11801	81.4
210.12163	3.4
211.13371	94.0
212.13689	3.2
215.07086	4.1
217.04971	7.1
219.06609	9.8
225.05498	5.8
227.03560	1.5
227.12839	13.2
235.08107	4.8
241.04996	4.7
243.02783	2.8
243.06625	9.0
245.04486	3.9
253.09181	6.5
258.05234	2.3
259.06064	22.9
269.04578	7.0
287.05588	74.3
288.06302	20.3
289.07254	9.5
315.16125	2.4
316.41364	1.6
427.19785	1.5
429.21198	3.5
445.20685	5.5
447.22342	17.4
621.32831	3.6
639.33801	11.2
657.34845	3.8
777.36615	3.0
783.49158	2.2
807.37524	5.0
927.39825	10.9
928.41486	2.0
945.40717	48.6
946.40845	7.6
956.78906	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	945.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99801	0.6
69.03443	2.0
70.45107	2.2
71.01369	3.4
73.02954	1.0
80.02663	0.5
81.03460	3.8
83.01379	7.5
83.05012	2.2
84.02161	1.2
85.02939	1.2
87.00871	0.7
89.02458	1.5
93.03443	2.6
95.01379	1.9
95.05029	1.7
96.96005	2.3
97.02937	3.6
99.04522	1.3
101.02430	2.0
102.79162	0.6
107.05006	1.2
108.02196	1.4
109.02952	4.3
111.00893	0.6
113.02447	1.2
121.02940	4.7
122.03745	6.8
123.00962	0.7
123.04498	2.0
124.01624	1.5
125.02443	31.5
128.54771	0.5
133.02919	1.0
135.04504	4.1
136.01663	1.3
136.05338	3.4
137.02440	26.4
138.03242	1.2
139.03955	1.9
145.02943	0.6
146.03711	1.7
147.04500	1.0
148.01645	0.6
148.05272	1.1
149.02405	2.3
149.06029	0.6
149.82936	0.6
150.03218	3.6
151.03996	1.7
151.96909	0.5
159.04439	1.2
160.05284	1.1
161.02405	2.0
161.05995	1.1
162.03169	2.8
163.04048	1.2
163.11281	1.5
164.01167	7.6
164.04791	2.4
165.01918	19.1
165.12802	0.9
167.03494	3.5
170.58817	0.5
172.05241	1.3
173.06047	1.2
174.03185	0.6
174.06844	0.7
175.04013	2.2
175.07579	1.2
176.04741	1.9
177.01930	0.7
179.03503	6.3
183.04541	0.8
187.03964	1.6
188.04836	1.0
189.05676	0.5
192.04185	0.6
197.05983	0.6
199.03960	0.6
200.04738	0.9
201.05527	3.0
202.06313	1.5
203.03456	1.9
203.07086	0.8
204.04240	5.5
207.10051	0.6
209.11813	20.2
210.12125	1.0
211.13394	3.0
212.04739	0.8
213.05566	2.5
216.07845	1.1
225.05670	0.6
227.06961	0.8
228.04161	0.8
229.05080	0.8
241.05016	1.3
243.06541	1.3
244.03839	0.7
244.07407	2.6
245.15381	0.9
253.09119	0.6
257.15491	0.8
258.08911	0.6
259.05905	0.8
259.16977	1.6
269.15323	0.6
271.13397	0.9
271.16959	0.5
273.14935	10.1
281.04349	0.5
283.16934	0.7
285.14914	2.1
287.05573	2.3
287.16498	10.2
288.06229	1.2
288.16913	0.6
289.07108	0.7
291.15964	1.9
297.14850	2.0
299.16440	0.9
301.14371	1.9
303.16141	0.6
305.17578	1.1
309.15073	0.5
313.14319	1.7
315.15952	14.0
316.16266	1.4
319.15723	0.9
325.18021	1.5
327.16068	2.7
331.15829	0.9
333.17154	3.2
339.19583	0.6
343.15402	2.8
343.19119	0.7
344.16217	0.6
351.16098	0.7
353.17441	0.6
355.15317	0.8
361.16342	0.9
367.19104	4.7
369.17160	1.1
382.71490	0.6
385.20367	3.2
391.19235	1.0
395.18594	1.4
397.16412	0.6
409.20279	6.5
410.20654	0.8
413.19809	1.1
419.18820	0.7
427.21301	1.0
435.18912	0.5
437.19577	1.6
455.21368	1.0
481.18668	2.1
597.25403	0.7
673.27643	0.6
735.28723	1.8
777.37622	0.7
807.37842	6.5
808.38959	0.7
819.38116	1.4
901.42145	2.7
927.39844	6.0
945.41113	100.0
946.41333	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	945.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.5
69.03455	5.3
70.87687	2.3
71.01376	9.8
72.77070	1.0
73.02966	0.9
77.03961	1.9
80.02668	1.5
81.03452	11.9
83.00907	2.0
83.01385	23.8
83.05027	4.6
85.02928	4.0
87.00877	2.8
89.02438	2.7
91.05556	1.4
92.56955	1.0
93.03467	7.8
95.01373	3.0
95.05042	5.2
95.43246	0.9
96.96022	9.5
97.02930	8.7
99.04504	5.3
101.02441	5.9
107.05007	3.7
109.02958	11.6
111.00896	0.9
111.04530	1.0
113.02446	2.8
113.06094	1.3
119.03490	1.2
119.06945	0.9
121.02951	10.8
122.03722	4.4
123.00839	2.2
123.04492	4.9
124.01649	2.5
125.02439	100.0
126.02763	1.8
130.04149	1.1
133.02945	2.3
135.04552	5.7
137.02441	88.4
138.02931	1.4
139.03972	3.7
146.03732	31.3
147.04482	3.0
148.01668	1.0
149.02386	4.1
149.06050	1.8
150.03194	2.7
151.03995	7.5
154.02634	1.1
158.03711	1.7
159.04523	13.4
160.05278	6.2
161.02420	3.0
161.04578	1.9
161.06030	4.4
163.04008	1.5
163.11266	5.6
163.99886	1.8
164.01141	22.7
165.01920	54.6
165.12778	2.5
166.02238	2.4
167.02170	2.0
167.03493	29.8
169.06432	0.9
172.05283	8.2
173.06035	4.1
174.01735	1.4
174.03206	18.0
174.06807	3.7
175.03972	4.8
176.04727	4.3
177.01930	9.4
179.03493	16.4
181.12311	1.3
183.04562	1.5
184.05252	1.8
185.05978	3.7
186.06779	3.0
187.04031	9.7
187.07663	1.2
188.04807	10.2
189.05498	2.8
190.02690	1.1
191.03424	2.3
191.10826	1.4
197.06067	1.4
199.07594	2.1
200.04742	7.9
200.08354	1.2
201.05525	6.1
202.06261	2.3
204.04253	7.7
209.06110	2.2
209.11807	46.5
210.06799	2.4
210.12158	2.0
211.03954	2.4
211.13422	1.7
212.04814	7.5
213.05423	1.6
214.06389	1.1
216.04228	1.0
217.12379	1.0
223.07448	2.4
225.05576	5.6
225.12743	2.3
226.06241	3.2
227.07072	1.5
227.12823	2.4
228.07935	1.4
236.04771	1.4
237.05476	2.7
237.09303	1.0
238.06230	1.8
239.06999	1.9
241.12318	1.4
243.06432	1.3
243.13834	2.1
244.07320	1.3
245.11807	1.2
250.06346	1.6
251.07050	4.2
252.07860	5.4
253.09233	1.2
253.12257	2.4
255.13960	5.0
265.08624	2.0
266.09604	1.4
268.07358	3.4
269.08133	2.6
269.11816	8.9
270.08881	4.7
270.12326	2.6
271.13364	42.8
272.13715	2.0
278.05692	1.3
283.13260	5.1
285.15018	5.1
287.12769	1.2
288.06104	1.8
289.14450	10.4
293.08536	1.2
294.08966	6.8
295.13290	3.4
297.15012	5.1
299.12863	12.2
300.13171	1.4
301.14365	3.5
307.13318	1.2
309.14865	2.5
311.12668	1.3
313.14441	25.6
315.15991	3.0
317.13815	5.3
319.13364	1.1
320.06891	1.5
325.14429	14.5
331.15384	3.5
335.16464	3.5
337.14413	12.9
343.15594	8.4
351.15811	3.1
353.17545	3.5
355.15445	3.1
377.17542	6.0
379.15649	2.6
391.19244	1.8
393.16937	2.8
395.18527	4.4
397.16486	1.0
401.17526	1.3
419.13483	1.7
419.18594	18.8
420.18652	1.7
437.19708	9.6
438.20059	1.0
445.16437	1.9
455.20721	1.1
463.17715	7.9
475.52628	0.9
481.18491	2.5
523.80902	1.0
553.22803	1.2
567.24347	4.3
579.24268	1.3
591.23895	1.6
673.29010	5.2
717.27765	4.8
759.35602	1.8
763.35468	1.3
777.37238	15.9
778.37372	2.3
789.37115	11.8
790.36963	2.2
801.36896	9.8
802.36914	1.7
807.37982	10.0
843.37805	1.7
856.28223	1.2
865.40424	1.6
883.40942	13.2
893.29382	1.2
901.39966	3.8
909.39404	6.6
910.39520	1.3
927.40204	94.1
928.40375	14.5
945.40900	73.2
946.41302	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	945.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99800	1.4
69.03455	6.7
70.34135	3.2
70.34488	1.2
71.01373	8.5
73.02921	2.1
77.03980	2.5
80.02659	1.2
81.03450	12.8
83.01382	19.6
83.05028	6.0
85.02930	3.0
89.02432	3.7
93.03458	6.8
95.01360	3.8
95.05020	6.5
96.95991	2.3
97.02940	9.4
99.04505	5.1
101.02425	4.1
107.05024	2.5
108.02192	1.2
109.02949	12.0
111.04498	1.4
112.51334	1.3
113.02414	1.9
120.02153	2.1
121.02945	10.4
122.03723	5.1
123.00867	1.1
123.04535	5.2
124.01633	2.7
125.02439	100.0
126.02808	1.2
126.33119	1.3
126.39895	1.1
130.04207	1.4
132.68463	1.1
133.02933	2.8
135.04475	6.6
137.02435	84.7
138.02829	1.5
139.03979	3.7
145.02870	1.1
146.03737	32.5
147.04425	2.2
149.02414	3.1
150.03181	2.7
151.03967	5.9
159.04483	13.9
160.05249	5.0
161.02460	2.3
161.06084	5.8
162.03227	2.4
163.00288	1.5
163.03981	2.1
163.11229	3.7
163.99887	2.0
164.01146	24.7
165.01917	56.8
165.12813	2.0
167.03481	32.1
167.04900	1.8
172.05220	7.7
173.06015	6.4
174.03224	17.4
174.06804	3.5
175.03934	4.9
176.04800	3.0
177.01936	7.5
179.03470	13.5
185.06033	4.2
186.06807	5.0
187.03964	7.6
187.07588	1.7
188.04767	11.0
189.05499	3.1
190.02708	1.2
191.10614	1.9
197.05923	2.2
198.06631	1.2
199.07561	1.7
200.04778	7.2
201.05518	6.6
202.06244	1.6
202.72681	1.0
204.04276	7.4
209.05998	3.2
209.11810	42.8
210.06799	2.7
210.12053	1.7
211.03973	2.9
211.13454	1.6
212.04765	10.5
213.05453	2.9
214.06178	1.3
217.05025	1.3
223.07617	2.2
224.08363	1.2
225.05501	7.4
226.06163	3.4
227.07028	1.8
227.12798	2.3
237.05478	2.0
237.09244	1.5
239.07126	1.9
249.48129	1.2
251.07069	4.0
252.07945	5.3
253.09081	2.4
253.12234	2.0
255.13776	3.9
267.06400	2.0
268.07373	4.6
269.08224	1.6
269.11752	6.7
270.05219	1.5
270.08911	4.9
270.12338	1.7
271.13379	41.1
271.15900	1.4
272.13684	3.1
276.07916	1.3
281.11765	2.5
283.13400	5.2
285.14999	5.7
287.12808	3.8
289.14389	11.1
294.09000	7.2
295.13281	4.3
297.14929	6.4
299.12967	13.9
301.14334	4.0
307.13312	2.2
309.14874	2.6
310.11877	1.5
312.13629	1.2
313.14420	24.9
315.15964	3.4
317.13919	7.5
325.14453	16.4
325.44907	1.4
331.15347	4.1
335.16516	3.7
337.14343	9.7
343.15454	9.0
353.17484	2.6
355.15201	2.7
377.17474	4.9
379.15332	2.1
391.19412	2.1
393.16968	2.9
395.18637	5.0
401.41690	1.4
413.19626	1.5
419.18536	20.1
421.16205	1.4
433.99527	1.2
437.19632	12.4
445.16592	2.0
463.17868	6.2
481.18585	2.8
549.23315	1.8
567.24878	5.9
591.24890	2.4
673.28894	6.7
717.27466	5.1
759.36139	2.7
777.37079	21.9
778.37195	2.5
789.36932	14.0
801.37054	9.6
807.38147	13.9
808.38757	2.9
819.38275	2.1
883.41486	13.6
884.42615	2.1
901.39575	4.0
909.39142	9.0
910.40784	1.9
927.40118	97.8
928.40204	15.9
945.41113	78.6
946.41425	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	946.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	40.1
71.50782	21.9
73.02940	12.9
75.00887	11.1
89.02435	44.8
101.02453	33.7
109.06590	34.2
110.06936	23.1
112.16235	11.5
113.02426	17.9
119.03512	16.7
120.17608	10.3
125.02433	17.4
159.73946	10.2
163.11264	23.5
164.86275	11.7
185.36241	11.3
206.88043	12.0
207.10208	83.2
208.10658	27.3
209.11934	90.3
210.12201	44.8
225.11290	33.7
226.11670	14.7
227.12886	12.3
277.21683	97.5
278.22000	70.4
279.22385	15.0
397.13577	66.6
398.13824	34.2
445.97556	11.5
591.25250	11.1
885.46942	23.1
886.47467	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	946.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.6
71.05054	1.4
71.30315	2.0
75.54000	1.5
77.75490	1.2
89.02428	2.6
94.86510	1.3
97.02955	1.3
97.06585	4.6
101.02415	2.6
101.84190	1.2
109.06586	2.5
110.06925	1.8
113.02351	1.4
115.74829	1.4
116.92805	1.9
117.04313	1.2
133.95186	1.2
150.61803	1.7
163.11218	1.6
173.70116	1.4
197.11945	1.5
207.10150	7.5
208.10568	4.2
209.11801	3.5
225.11284	2.4
237.92628	1.4
277.21606	6.5
278.22012	5.0
375.27194	1.5
391.29779	2.3
397.13177	3.9
398.13937	2.9
399.13956	1.8
405.31479	3.7
406.31952	3.0
407.33112	8.4
408.33694	3.3
439.32111	2.9
441.33878	8.5
442.34326	3.4
451.32162	36.6
452.32532	11.5
453.33688	100.0
454.28006	2.5
454.34015	31.9
459.35248	3.0
471.35089	2.6
485.36337	85.0
486.36713	29.5
487.36853	2.1
497.32425	8.3
498.32993	1.7
885.47833	2.4
886.48035	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	947.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58318	0.6
69.58731	0.3
71.01351	0.1
79.95734	30.3
80.96514	3.1
84.13380	0.1
85.03020	0.1
93.03474	0.8
96.96008	0.4
108.02190	0.2
109.02951	2.0
121.02949	5.5
122.03735	5.3
122.04630	0.2
123.04576	0.7
124.01637	0.6
125.02453	0.2
129.03438	0.2
134.03775	0.3
135.04514	0.9
136.05269	0.4
137.02460	0.8
146.03781	0.2
147.04523	2.2
148.05249	0.2
149.06068	0.6
154.02713	0.9
161.06061	0.8
162.06760	0.2
163.03983	0.2
164.04854	0.2
165.05560	10.0
166.05885	0.5
167.00092	0.1
168.04262	0.2
169.01399	0.4
178.06268	0.2
179.07123	3.6
190.06377	0.1
191.07103	0.2
209.08148	0.3
212.57243	0.1
216.00905	0.2
223.09740	0.5
248.00046	0.2
298.12149	0.3
301.40784	0.1
313.14432	0.3
315.12366	1.1
316.13254	0.2
343.15622	0.2
345.33987	0.1
346.14160	4.7
347.14474	0.3
361.16537	28.4
362.16980	1.9
362.96860	0.1
412.16699	0.1
426.09872	0.4
441.12201	100.0
442.12527	6.8
740.82367	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	25.2
72.99294	3.4
73.02949	4.8
80.84008	2.3
81.03445	4.6
83.05027	5.0
85.02937	6.3
87.00862	5.9
89.02433	19.8
96.96011	2.2
97.02942	8.8
101.02454	17.8
109.05888	2.9
109.06577	32.3
113.02451	10.6
119.03471	4.8
122.62420	2.3
125.02422	9.8
135.08127	3.3
142.02721	4.4
142.35468	2.4
142.37708	2.2
143.03477	4.1
161.04549	5.5
163.11275	21.2
179.05508	4.8
181.12349	3.7
189.09337	2.3
207.10240	100.0
208.10541	2.8
210.07028	2.2
216.60643	2.3
221.06673	3.9
225.11296	32.6
235.08182	7.7
281.24838	85.9
282.25189	5.3
379.12277	8.4
397.13461	63.6
398.13922	3.0
415.14346	10.1
587.23065	3.7
605.24500	8.0
623.25763	3.5
679.39032	4.9
869.49286	3.4
887.50079	89.1
887.67389	4.5
888.50745	12.0
973.13080	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	948.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91640	10.4
71.01382	19.6
74.33877	4.7
81.03433	5.9
83.05009	6.7
85.02935	5.6
89.02425	17.5
96.96000	8.2
101.02435	14.2
113.02455	9.5
123.68168	4.9
125.02439	8.3
143.29057	5.8
165.12822	6.4
166.13185	4.9
179.05569	6.5
209.11827	100.0
210.12158	53.9
211.12370	18.0
212.12743	6.2
227.12788	8.1
277.21786	29.2
278.22034	26.3
279.22372	10.6
379.12564	7.2
397.13522	22.5
398.13812	17.5
399.13788	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25118	6.4
70.28431	7.0
71.01376	22.9
71.13950	13.8
71.82074	6.1
72.05997	5.6
89.02442	16.4
97.63388	6.9
97.71661	7.4
101.02418	17.6
113.02424	10.1
119.77556	7.6
125.02488	11.9
160.54094	8.2
209.11815	100.0
210.12149	50.0
211.12277	17.6
227.12845	16.9
229.13933	7.4
277.21713	39.4
278.22070	33.6
279.22293	14.8
305.44516	7.6
310.90616	7.5
380.12851	12.2
397.13351	32.1
398.13989	29.4
399.13998	14.4
415.14163	7.3
637.58557	7.6
910.05969	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	955.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01866	0.8
68.99809	2.7
69.03442	0.5
71.01379	26.1
72.52799	0.2
72.99307	4.2
73.02943	1.3
75.00862	2.2
81.03432	0.4
83.01391	3.0
85.02947	10.0
87.00887	1.3
89.02441	19.7
93.03437	0.3
95.01383	6.8
96.95977	0.2
96.99310	0.2
97.02938	1.3
99.00880	2.7
101.02439	14.8
109.02941	0.5
111.00850	0.6
111.73938	0.2
112.01631	1.2
113.02443	14.3
114.02759	0.3
119.03493	3.8
125.02429	0.5
131.03520	0.4
137.02411	0.6
139.00388	1.5
143.03435	0.5
157.01393	1.6
161.04530	1.2
179.05630	0.4
209.73067	0.3
237.06186	0.3
238.32713	0.2
241.78192	0.3
268.26730	0.2
323.44672	0.3
334.23361	0.3
393.29446	0.3
407.33194	0.7
423.32596	0.6
425.34283	0.7
453.33673	2.3
455.35080	0.6
523.37701	0.4
551.37708	0.5
595.35834	0.3
753.08490	0.3
775.42883	0.5
793.43384	0.5
955.48950	100.0
956.49237	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	955.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97514	1.0
71.01376	12.3
72.99305	1.9
73.02955	2.9
81.03471	1.5
83.05009	4.5
85.02959	4.4
87.00871	4.5
89.02439	14.8
97.02934	1.8
99.00864	1.8
99.92578	2.3
101.02438	11.9
113.02414	6.7
114.63335	1.0
116.92859	10.0
119.03477	3.6
125.02486	5.1
143.03473	2.0
161.04547	3.1
163.11285	3.6
165.12810	2.8
179.05629	2.7
193.60405	1.0
209.11816	100.0
210.12111	2.7
227.12863	11.9
235.08192	4.6
255.23288	54.5
256.23721	1.5
263.07593	1.3
287.07803	3.4
323.10016	1.2
379.12381	15.7
397.13470	42.3
415.14642	6.8
589.24841	5.6
607.26093	2.9
635.36200	3.5
653.37421	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	957.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.6
67.11094	0.1
68.99811	2.8
69.03445	0.6
70.33791	0.6
71.01379	28.3
72.01697	0.2
72.99303	4.5
73.02938	1.4
73.42785	0.1
75.00868	2.3
80.61002	0.1
81.03450	0.3
83.01382	3.1
84.02169	0.2
85.02946	10.4
85.99268	0.2
87.00861	1.9
89.02439	20.5
90.02781	0.3
93.03436	0.2
95.01382	7.7
96.95997	0.3
97.02930	1.0
97.19956	0.2
99.00882	2.5
101.02437	16.4
101.68299	0.1
109.02945	0.6
111.00877	0.9
112.01665	1.6
113.02444	15.5
114.02772	0.2
117.46288	0.2
119.03494	4.1
123.00868	0.1
125.02431	0.5
129.01906	0.2
131.03490	0.6
137.02446	0.6
139.00366	1.8
143.03468	0.7
149.04561	0.2
157.01381	1.4
161.04529	1.5
179.05592	0.6
319.06638	0.3
391.30112	0.5
407.28445	0.2
407.32990	1.0
423.33270	0.2
425.01907	0.2
425.34192	0.2
437.34351	1.0
455.35303	2.6
457.37073	0.2
525.39435	0.5
553.38892	0.3
615.35010	0.3
733.44458	0.2
759.43604	0.2
777.44348	0.4
795.45831	0.7
862.11499	0.2
957.50507	100.0
958.50812	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	959.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90747	0.7
71.05663	0.2
75.03236	0.1
79.95731	31.8
80.96511	3.2
93.03453	0.6
96.96001	0.5
108.02190	0.2
109.02946	2.5
119.05000	0.2
121.02947	6.1
122.03734	5.3
122.21416	0.1
123.04536	0.8
124.01638	0.6
125.02451	0.2
129.03500	0.3
129.83101	0.2
134.03725	0.3
135.04491	1.0
135.32809	0.1
136.05284	0.3
137.02455	1.3
147.04507	3.0
149.06107	0.5
150.03226	0.2
151.00392	0.2
151.04024	0.2
153.52898	0.2
154.02748	0.8
161.06049	0.6
165.05559	11.8
166.05923	0.4
178.06287	0.3
179.07115	3.9
191.07138	0.4
203.06920	0.2
209.08116	0.4
216.00987	0.3
223.09692	0.5
237.77048	0.2
243.96861	0.4
280.96017	0.2
285.04172	0.2
285.11166	0.3
298.12140	0.4
300.02814	0.2
301.10806	0.3
313.14383	0.6
315.12265	1.3
316.12857	0.3
331.15585	0.3
345.13556	0.2
346.14197	4.9
347.14487	0.2
361.16519	31.4
362.16901	1.9
426.09940	0.7
439.10565	0.2
441.12186	100.0
442.12537	6.4
472.53094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.2
71.59863	0.3
74.99096	0.7
79.95739	31.6
80.96516	2.9
89.02439	0.2
93.03448	0.6
96.96021	0.5
108.02171	0.3
109.02966	2.4
121.02954	6.2
122.03742	5.2
123.04529	1.1
124.01653	0.6
125.02425	0.6
135.04521	0.7
136.05295	0.4
136.99123	0.6
137.02449	1.0
147.04509	3.0
148.05315	0.4
149.02454	0.3
149.06056	0.7
154.02745	1.2
161.06076	0.7
165.05565	11.4
166.05936	0.3
168.04242	0.4
169.01448	0.3
173.62827	0.2
175.07646	0.4
178.06364	0.5
179.07126	3.7
179.08591	0.4
179.97360	0.2
199.92093	0.2
209.08086	0.2
223.09807	0.4
255.03081	0.3
255.41382	0.2
257.04343	0.2
271.02505	0.7
285.04083	0.7
286.04208	0.4
287.04642	0.3
298.12164	0.5
299.09180	0.2
300.02817	1.5
301.00101	0.2
301.03439	0.7
313.14398	0.5
315.12466	1.3
316.12817	0.2
344.12592	0.2
346.14230	4.7
361.16553	28.9
362.16989	1.8
426.10016	0.7
441.12225	100.0
442.12552	5.6
442.18378	0.4
443.12317	0.8
463.08847	2.1
533.26874	0.2
961.26807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.3
72.87411	0.2
74.99080	0.4
79.95731	30.0
80.96512	3.2
81.95308	0.3
84.58114	0.2
85.02959	0.2
93.03436	0.6
96.96021	0.4
108.02200	0.4
109.02942	2.1
121.02946	5.5
122.03753	4.4
123.04506	0.9
124.01627	0.6
124.91505	0.2
125.02425	0.9
134.03732	0.2
135.04480	0.8
136.05286	0.4
136.75172	0.2
136.99106	0.7
137.02420	1.2
147.04501	2.6
148.05197	0.2
149.06075	0.6
150.03159	0.2
151.00317	0.3
154.02684	0.9
161.06079	0.9
162.06825	0.2
163.04010	0.2
164.04727	0.3
165.05551	11.4
166.05928	0.4
169.01360	0.3
175.07747	0.2
179.07127	3.7
210.15775	0.2
223.09798	0.4
229.71324	0.2
243.96788	0.3
255.02965	0.6
271.02454	1.1
285.04041	0.4
285.11249	0.3
298.11990	0.3
300.02676	1.8
301.00076	0.2
301.03394	0.7
301.10843	0.3
313.14398	0.3
315.12381	1.3
343.15558	0.3
345.13440	0.3
346.10284	0.4
346.14178	4.7
361.16534	29.5
362.16846	2.6
363.17252	0.3
426.09842	0.7
439.10675	0.3
441.12192	100.0
442.12494	7.5
443.12509	1.8
463.08804	2.0
464.09460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35622	1.2
71.01388	0.1
79.95735	10.0
80.96499	0.7
96.96002	2.2
109.02942	0.3
121.02943	1.6
125.02465	0.8
135.04533	0.3
145.02934	0.5
147.04518	0.7
149.02409	0.2
151.03871	0.2
159.04501	0.4
160.05208	0.2
161.02373	0.2
165.01942	0.2
175.07574	0.2
183.04366	0.1
192.07892	0.4
224.06883	0.3
231.63187	0.1
235.09700	0.2
238.06752	0.1
239.10686	0.2
240.04152	0.7
241.08652	0.3
243.02925	0.1
251.07048	0.4
253.08727	0.3
255.03078	0.2
255.10251	1.0
263.07092	0.2
263.97726	0.1
265.08585	0.2
267.10388	0.1
269.08170	14.7
270.08630	0.7
270.12680	0.2
271.09689	0.6
281.08188	2.0
282.08792	0.2
283.09747	4.5
284.10065	0.5
294.08865	0.2
295.09534	0.7
296.10391	0.4
298.11978	0.5
299.09213	9.7
300.02557	0.2
300.09515	0.6
301.03510	0.2
309.11234	0.3
310.12000	0.3
311.09232	11.9
312.09665	0.7
313.10837	0.3
314.11572	17.8
315.11890	1.2
325.10779	2.3
326.11548	11.2
327.11899	0.6
329.13907	40.3
330.14276	2.8
331.14667	0.2
341.13904	14.6
342.14249	1.2
383.11121	0.2
407.07471	0.2
409.09607	2.4
416.64920	0.2
439.10635	100.0
440.10962	7.3
441.10587	1.1
442.11469	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35860	3.5
71.01378	6.3
72.78409	0.4
72.99295	0.8
73.02944	0.9
74.21004	0.4
76.98253	0.4
78.36230	0.4
81.03458	0.5
83.01399	1.0
85.02941	2.6
87.00883	1.1
89.02439	6.7
93.03454	4.2
95.01427	1.1
95.05049	0.8
96.96010	2.9
99.00901	0.9
101.02431	3.9
108.02179	1.1
109.02938	2.0
113.02477	3.1
113.08656	0.5
115.00328	0.5
116.92870	1.4
117.03522	0.5
119.03537	3.1
119.60245	0.5
119.67136	0.4
121.02957	6.2
122.03741	16.4
123.00878	0.9
123.04522	1.1
124.01667	1.0
125.02443	1.1
133.02959	1.8
134.03737	1.4
135.04575	1.0
136.01662	6.3
137.02444	4.7
139.04050	0.4
143.03511	0.6
145.02940	1.4
146.03737	2.2
147.04520	0.7
149.02437	26.8
149.06090	1.4
150.03218	100.0
151.00339	2.4
151.04019	13.0
152.04756	1.2
153.01961	0.4
153.05608	0.8
158.01337	0.4
161.02437	1.4
161.04591	1.0
161.06032	0.9
162.03224	7.6
163.04021	0.9
164.04791	5.3
165.01932	2.0
165.05560	93.2
166.02719	8.6
166.05820	2.2
166.30263	0.4
167.03458	0.9
169.46461	0.4
175.03960	0.9
177.01843	0.5
177.05563	4.7
179.03513	0.5
179.05585	2.4
179.07140	4.2
180.04280	7.5
181.05055	9.4
187.03943	0.7
191.03416	0.5
192.04234	0.5
193.05029	0.6
195.06612	49.8
196.06972	1.3
205.05031	2.5
207.06577	0.4
219.06595	1.6
220.07449	1.4
225.07590	0.7
315.08881	0.5
329.10303	0.9
335.97394	0.5
372.12222	0.7
373.12787	0.8
387.10355	1.0
387.14487	3.7
402.13181	0.9
416.14560	0.8
417.15530	6.4
421.15134	1.0
535.16248	0.7
549.17175	0.5
550.18347	0.8
565.20691	12.3
566.21564	0.5
577.20441	0.8
595.21216	1.9
613.22839	11.9
614.23529	0.6
667.23676	1.5
713.25684	1.7
725.25751	1.7
743.26587	2.6
761.28131	12.0
762.28046	0.7
773.27814	2.4
791.28674	3.5
809.30273	22.0
810.30603	1.5
901.40381	0.5
923.33472	1.2
971.34937	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	971.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	6.9
71.61772	0.5
72.99297	0.6
73.02945	0.6
83.01363	0.5
85.02931	2.1
87.00878	1.0
89.02443	7.9
93.03464	4.9
95.01397	0.9
95.05024	0.8
95.80170	0.4
96.96008	2.6
101.02455	4.2
108.02166	1.0
109.02946	1.9
113.02449	3.4
116.92875	1.4
119.03506	4.3
121.02951	6.7
122.03740	14.5
123.04576	2.0
124.01642	0.6
125.02450	1.2
131.03537	0.5
132.02220	0.4
133.02950	2.1
134.03709	1.5
135.04518	0.9
136.01649	6.7
137.02426	5.6
138.03172	0.6
139.04002	0.8
143.03464	1.0
144.57309	0.5
145.02939	1.5
146.03745	2.6
147.04492	0.5
149.02437	25.0
149.06099	1.4
150.03218	100.0
150.21858	0.4
151.00391	2.7
151.04002	15.2
152.01193	0.6
152.04709	0.6
153.01888	0.4
161.02457	2.1
161.04642	0.7
161.06061	1.3
162.03221	7.6
162.04451	0.3
163.03960	0.9
164.04791	4.8
165.05559	94.6
166.02728	8.3
166.05833	2.0
167.03526	1.0
175.03973	1.0
177.01924	0.7
177.05547	4.8
179.03476	0.8
179.05598	3.8
179.07144	4.0
180.04268	7.8
181.05058	11.2
184.03706	0.5
187.03958	0.6
190.02686	0.4
190.06313	0.5
191.03433	1.0
192.04286	0.7
193.05072	0.8
195.06607	53.5
196.07004	1.2
205.04955	2.5
207.06624	0.7
219.06635	1.2
220.07365	1.7
225.07732	0.9
273.14871	0.4
305.07706	0.5
315.08563	0.7
321.11020	0.4
329.10123	1.2
357.13104	0.5
372.12225	0.7
373.12778	0.7
385.12460	0.5
387.10245	0.9
387.14774	3.3
388.11172	0.4
402.13052	1.1
403.13623	0.9
416.14584	0.5
417.15515	7.7
421.15024	1.4
471.16278	0.5
535.15350	1.0
550.18317	1.0
564.19806	0.8
565.20801	13.0
566.21130	1.1
577.20441	1.3
595.21588	2.7
613.22913	10.6
614.22797	0.7
619.21222	0.6
667.23633	1.7
713.26074	1.7
725.26056	3.7
743.27026	1.7
761.28021	11.1
762.28064	1.4
773.27991	2.3
791.29205	3.6
792.29004	0.7
809.30206	20.6
810.30212	2.4
842.13031	0.5
923.32483	1.0
971.33484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.55
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	10.1
73.88663	4.7
89.02438	11.4
101.02453	7.2
111.86318	4.1
113.02415	5.1
122.97524	4.4
147.59595	4.2
179.05577	5.3
229.27118	6.0
235.08263	6.7
270.00421	4.3
277.21701	100.0
379.12299	12.3
391.11020	4.5
397.13492	50.9
415.14575	7.9
517.25043	4.9
550.80804	3.8
657.34479	8.2
971.54993	46.9
972.54327	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	973.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51394	1.6
71.01343	0.3
75.29883	0.2
79.95735	9.7
80.96503	0.6
96.96013	2.3
101.02445	0.3
101.20895	0.2
108.11032	0.2
109.02950	0.5
121.02939	2.0
135.04503	0.3
137.02466	0.3
145.02924	0.5
147.04472	0.8
150.03207	0.4
151.03979	0.3
159.04521	0.5
161.02437	0.4
165.05605	0.4
176.82304	0.2
181.08690	0.2
192.07819	0.3
195.06592	0.3
224.04698	0.3
224.06868	0.3
240.04265	0.5
251.07170	0.3
251.20866	0.2
253.08684	0.3
255.02852	0.4
255.10196	0.8
263.81842	0.2
269.08160	14.7
270.08600	0.5
270.12674	0.4
271.02145	0.3
271.09372	0.4
275.14554	0.2
281.08163	1.9
283.09766	4.2
294.08896	0.4
295.09705	0.7
296.10522	0.8
297.11316	0.3
298.12198	0.5
299.09229	9.4
300.02878	0.3
300.09686	0.4
309.11270	0.4
310.11969	0.6
311.09238	12.9
312.09760	0.5
313.10724	0.4
314.11566	17.1
315.11978	1.0
325.10739	2.1
326.11560	11.2
326.17474	0.4
327.11865	0.5
329.13916	39.5
330.14236	2.4
341.13907	14.8
342.14182	0.8
409.09644	2.0
433.07974	0.4
439.10645	100.0
440.10959	6.3
440.16971	0.3
441.10757	1.4
738.06073	0.2
884.65936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84085	0.3
68.99826	1.8
69.03473	0.4
70.97569	0.6
70.97935	0.3
71.01379	22.9
72.99310	4.0
73.02932	1.0
75.00868	2.3
76.82592	0.3
79.95753	0.3
80.96522	0.4
83.01389	3.3
85.02945	8.2
87.00862	1.9
89.02441	16.3
90.72292	0.3
93.03425	0.4
95.01379	5.9
96.95999	3.0
97.02945	1.3
99.00880	2.4
101.02441	15.3
109.02929	0.9
111.00873	0.4
112.01651	1.0
113.02448	12.7
119.03504	3.3
120.99656	0.6
125.02449	0.6
129.01910	0.3
131.03450	0.5
135.04512	0.3
137.02455	0.8
139.00380	1.8
143.03482	0.3
147.94374	0.3
157.01404	1.0
161.04533	0.9
165.01878	0.6
179.05550	0.3
181.04947	0.5
195.06619	0.5
202.95229	0.3
234.08200	0.3
248.37373	0.4
255.03128	0.4
285.03955	0.4
290.90634	0.3
312.99936	1.9
331.23270	0.3
407.29617	0.4
423.32452	0.7
453.33746	0.8
471.34729	1.7
475.04944	2.0
476.05533	0.4
541.38940	0.5
542.03766	0.3
569.38574	0.3
793.43317	0.6
811.45166	0.4
973.50073	100.0
974.50354	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	977.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	4.8
70.88165	2.3
70.88517	1.7
71.01360	8.7
72.99285	1.5
75.00865	1.3
78.62132	1.4
81.03440	11.6
83.01382	23.3
83.05012	5.7
85.02931	3.1
89.02416	5.4
93.03479	5.8
95.01359	4.2
95.05032	6.6
96.96012	6.6
97.02945	7.3
99.04494	5.3
101.02416	5.3
107.05005	3.9
107.56863	1.3
107.75397	1.1
108.02151	2.4
109.02948	14.6
111.04509	1.8
113.02419	4.1
113.12614	1.1
121.02939	10.0
122.03712	4.9
123.00827	2.4
123.04494	3.5
124.01590	2.4
125.02438	89.1
126.02783	2.6
133.02962	1.6
135.04510	6.1
137.02434	92.7
138.02876	1.9
139.03960	3.6
146.03725	32.2
147.04468	3.7
149.02420	3.6
150.03145	3.9
151.04013	7.3
158.03658	1.9
159.04521	14.9
160.05260	5.7
161.02359	3.0
161.06039	2.7
162.03230	1.7
163.00299	2.3
163.11256	3.3
164.01137	26.8
165.01920	65.2
165.12769	2.3
167.02133	2.3
167.03481	29.3
167.04887	2.2
168.03929	1.3
171.04466	1.9
172.05247	7.3
173.06108	5.8
174.03181	15.0
174.06802	4.6
175.04037	5.9
176.04665	4.7
177.00453	1.5
177.01880	9.6
179.03505	20.8
181.04948	1.4
185.06004	2.7
186.06828	4.5
187.04013	8.1
188.04791	10.6
189.05499	4.3
190.02556	1.5
190.06296	1.8
191.03485	1.9
197.05861	1.6
199.07613	2.6
200.04773	9.7
200.08400	2.4
201.05498	6.9
202.06242	2.1
204.04272	6.7
209.06075	2.5
209.11800	40.6
210.06728	3.1
210.12021	1.3
211.03894	3.8
211.13220	1.5
212.04776	8.1
213.05496	2.9
215.07083	2.0
222.06639	1.5
223.07590	2.3
224.04732	1.9
225.05469	6.4
225.12941	1.5
226.06189	4.6
227.06926	2.2
227.12712	1.7
236.04617	1.6
237.05475	3.2
239.07057	2.9
241.12421	1.7
243.13857	2.5
244.07281	2.1
251.07053	3.2
252.07889	3.8
253.05013	1.2
254.05821	1.4
255.13957	2.8
265.08771	2.2
268.07275	4.3
269.08243	1.6
269.11716	7.6
269.15088	2.5
270.05429	1.2
270.08826	3.5
271.13345	49.3
272.13742	1.7
279.13962	1.3
281.11780	1.7
281.14981	1.3
282.99301	1.2
283.13370	6.3
285.15002	7.3
287.12833	2.5
288.06357	2.3
289.14404	15.0
293.07953	1.4
294.09003	6.4
295.13205	3.5
297.14893	7.4
299.12848	11.6
300.13663	2.2
301.14380	6.2
309.15009	3.5
311.12866	1.7
313.14441	25.8
315.15933	5.4
317.13760	6.3
325.14417	15.9
325.17969	2.5
327.15924	1.9
331.15277	5.2
335.12772	1.5
335.16470	4.0
337.14429	11.5
341.13800	1.4
343.15503	8.4
346.94507	1.3
351.15924	2.3
353.17505	3.4
355.15421	5.1
369.16779	2.8
371.18222	1.5
377.17520	5.2
379.15277	3.6
391.14871	1.9
393.16815	2.5
395.18564	6.1
401.17670	2.3
407.19247	1.6
413.19611	2.5
419.18658	17.4
437.19687	10.9
463.17816	6.3
481.18256	2.2
511.40756	1.5
539.00360	1.3
553.22534	1.6
567.24365	5.3
579.23615	1.6
591.24585	2.2
673.28387	5.2
699.26105	1.9
715.41388	1.4
717.27429	3.9
759.35718	2.9
761.37396	1.7
777.36969	27.6
778.37280	3.4
789.37146	10.6
790.36511	1.5
801.36383	7.6
807.38055	13.9
819.37640	2.8
865.39600	1.7
883.41168	14.6
884.41376	1.9
901.40417	3.7
909.38995	7.2
910.37659	1.4
927.40088	100.0
928.40692	12.3
941.46527	3.9
945.41174	86.1
946.41278	12.6
959.42694	23.8
960.42499	3.2
977.43634	46.1
978.44275	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	977.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	32.4
71.58109	1.9
72.99297	2.4
73.02929	6.1
76.76330	1.3
83.01371	6.2
85.02944	15.4
87.00854	5.0
89.02428	15.9
95.01382	4.2
96.96010	2.4
97.02921	2.5
99.00866	4.0
101.02428	19.3
111.08127	2.5
113.02448	15.4
119.03472	5.6
125.02419	3.8
131.03520	2.9
137.02405	1.8
143.03476	3.8
161.04526	5.1
165.52539	1.4
169.12253	1.3
179.05569	3.5
197.11810	10.1
209.11813	26.9
211.13431	3.7
213.29362	1.8
221.06607	3.4
227.12868	4.0
235.08113	1.9
291.19666	4.0
296.67346	1.5
309.20694	21.7
379.12158	1.9
397.13568	9.8
415.14584	4.1
431.29849	1.4
434.44836	1.5
455.35275	23.8
599.39532	4.9
607.25159	1.5
617.40442	25.5
618.40320	2.2
684.89972	1.7
689.33923	2.0
707.34662	1.9
761.43927	2.4
779.45679	16.7
780.46863	2.3
811.63538	1.6
862.49823	1.5
941.51245	95.7
942.51672	10.8
977.48749	100.0
978.49127	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	983.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44496	0.4
69.44902	0.2
71.01377	0.2
75.79182	0.1
78.95900	0.7
79.95731	5.1
89.02438	0.1
94.92494	0.2
95.97570	0.1
96.96004	100.0
97.95931	0.1
98.19881	0.1
101.02438	0.1
113.02515	0.1
115.54092	0.1
117.91579	0.1
125.02451	0.1
128.30478	0.1
197.11780	0.2
209.11832	0.3
251.49586	0.1
265.07587	0.2
266.28714	0.1
277.21729	0.1
291.19659	0.1
293.21231	0.7
309.20651	0.6
317.59631	0.1
397.13388	0.4
415.14685	0.1
462.24911	0.1
525.29248	0.1
627.19409	0.1
645.21063	0.1
695.31519	0.1
713.31195	0.2
792.25836	0.1
892.82056	0.1
971.84564	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.2
71.11298	0.1
72.61746	0.1
78.95892	0.7
79.95733	5.2
87.12489	0.1
89.02467	0.1
94.26005	0.1
94.92467	0.1
94.98060	0.1
96.96005	100.0
97.95943	0.2
145.99692	0.1
197.11711	0.1
209.11818	0.3
255.73471	0.1
265.07666	0.2
277.21744	0.3
287.85938	0.1
293.21072	0.1
309.20779	0.2
397.13608	0.2
435.08063	0.1
525.28558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	2.8
69.03447	0.6
71.01378	22.4
72.01705	0.3
72.99301	3.8
73.02942	10.2
75.00871	1.9
81.03448	0.6
81.26273	0.2
83.01382	5.6
85.02947	8.1
87.00867	2.6
89.02437	10.8
90.82000	0.3
93.03425	0.5
95.01384	6.3
96.96003	1.0
97.02944	1.5
99.00875	2.6
101.02438	13.5
102.02795	0.4
109.02940	0.6
111.00894	0.6
112.01683	1.1
113.02441	14.5
119.03484	2.0
121.02957	0.3
125.02394	0.8
131.03464	0.4
136.19022	0.2
137.02396	0.4
139.00385	1.9
143.03439	0.4
157.01407	1.2
161.04518	1.0
165.01930	0.4
179.05574	0.4
211.13293	0.3
267.03394	0.2
299.02539	0.2
308.06747	0.3
399.28754	0.3
403.30017	0.5
407.29440	0.5
421.30984	0.7
423.32736	0.9
425.30692	0.4
439.32098	4.3
440.32358	0.4
441.33640	1.7
509.36478	0.5
537.35657	0.4
761.41443	0.7
923.46381	0.5
929.39948	0.3
941.46527	0.5
983.48486	100.0
984.48828	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	983.485
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	3.5
69.03450	0.6
71.01378	21.6
72.01726	0.2
72.88927	0.1
72.99304	4.0
73.02944	3.9
75.00871	2.4
81.03451	0.4
81.61456	0.1
83.01382	5.4
84.02164	0.4
85.02946	11.1
87.00875	2.1
89.02441	13.3
93.03455	0.3
95.01381	7.7
96.96004	0.6
96.99313	0.3
97.02954	1.3
99.00873	2.8
101.02438	13.9
102.02768	0.2
109.02947	0.6
111.00876	0.7
111.04546	0.2
112.01685	1.3
113.02444	19.6
114.02783	0.2
114.82255	0.2
117.01897	0.2
119.03498	2.9
121.02937	0.4
123.04556	0.3
125.02440	0.9
131.03493	0.6
137.02434	0.6
139.00366	1.9
139.03976	0.3
143.03461	0.8
148.45032	0.1
149.04543	0.2
150.03218	0.1
151.04091	0.1
155.03282	0.2
157.01431	1.2
161.04530	1.2
163.03934	0.2
165.01886	0.2
167.03566	0.2
179.05632	0.5
189.34305	0.1
199.10847	0.1
209.11871	0.2
233.15446	0.2
237.06082	0.2
301.05670	0.2
319.06717	0.2
321.78391	0.2
341.23389	0.2
348.26950	0.1
403.29907	0.3
405.27798	0.4
407.29428	0.4
421.31216	0.8
423.32690	0.6
425.30600	0.3
439.32162	4.7
440.32602	0.4
441.33636	2.0
442.34244	0.2
485.32666	0.3
509.36179	0.5
537.35889	0.6
572.47992	0.2
761.41327	0.6
821.43573	0.3
879.47626	0.3
923.45789	0.8
941.47260	2.6
942.48303	0.3
983.48480	100.0
984.48822	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	995.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	3.1
71.01378	4.8
72.99326	0.8
77.03974	1.0
81.03448	5.8
83.00910	1.0
83.01388	17.1
85.02939	1.6
89.02419	2.3
92.92767	0.8
93.03445	5.1
95.01367	2.7
95.05029	3.1
96.96006	2.1
97.02963	6.0
98.20746	1.3
99.04520	3.9
101.02431	2.8
107.05031	1.6
108.02141	1.2
109.02943	9.5
111.04523	0.8
113.02387	1.0
120.02153	0.7
121.02954	7.7
122.03733	2.4
123.00873	0.8
123.04510	3.1
124.01650	1.4
125.02442	74.6
125.71426	0.7
126.02749	1.1
130.04202	0.7
131.05031	0.8
133.02945	1.6
135.04524	3.9
137.02443	71.1
138.02620	0.6
138.03308	0.5
139.03992	2.5
145.02927	1.1
146.03735	24.7
147.04497	2.7
149.02415	3.1
149.06181	0.7
150.03171	1.9
151.04016	5.9
156.05754	0.8
158.03664	0.8
159.04506	10.1
160.05321	4.0
161.02397	2.3
161.06029	1.8
162.03210	1.0
163.00319	1.8
163.03986	1.1
164.01138	15.8
165.01920	40.6
166.02368	1.0
167.03493	24.7
167.04921	1.3
168.04129	0.5
172.05296	6.9
173.06046	5.3
174.03226	10.6
174.06874	4.3
175.03987	3.6
176.04701	2.9
177.01912	7.5
179.03487	13.8
183.04529	1.2
185.06073	1.8
186.06844	3.2
187.03990	6.7
187.07608	0.7
188.04796	8.8
189.05507	1.7
191.03479	1.0
196.05211	1.0
197.06038	1.8
198.06851	0.7
199.07634	1.6
200.04794	5.3
201.05563	4.6
202.06233	1.4
204.04306	5.7
209.06049	2.7
210.06833	2.5
211.03961	2.4
211.07645	1.2
211.13521	1.0
212.04750	6.5
212.08350	0.7
213.05406	1.8
213.09126	0.6
214.06293	0.7
215.06955	0.6
217.05016	0.7
217.12296	0.8
218.05795	0.6
223.07614	1.5
224.04726	1.7
225.05612	5.7
226.06242	2.0
227.07140	1.3
228.04239	1.0
229.05008	0.7
229.12674	0.9
236.04742	1.0
237.05443	1.5
239.07114	1.9
240.07898	1.0
241.12234	1.0
243.13936	1.9
244.07300	1.3
245.15344	0.8
251.07207	3.1
252.04300	0.8
252.07881	4.1
253.12305	1.2
255.13857	2.5
265.08624	1.2
268.07385	2.9
269.08282	0.7
269.08777	0.8
269.11829	6.5
269.15192	1.7
270.08905	3.1
270.12506	1.2
271.13370	35.7
272.13696	1.6
276.07898	1.2
277.21710	8.4
283.13412	4.6
285.14944	3.4
287.13007	3.1
288.06461	2.2
289.14450	12.4
290.14838	0.7
292.07339	0.8
294.08798	4.8
295.13348	4.0
297.14883	4.0
299.12903	8.7
300.13477	1.1
301.14615	3.6
303.15738	0.8
307.13443	0.9
309.14926	2.3
311.12863	1.1
313.14429	19.7
314.14969	0.9
315.16119	3.3
317.13953	6.7
317.17441	1.0
320.07114	1.5
321.14783	0.7
325.14456	13.2
327.15927	2.3
331.15292	4.8
333.14642	1.1
335.16486	3.3
337.14386	6.3
343.15375	5.7
351.15894	1.8
353.13742	0.8
353.17520	2.1
355.15533	2.4
359.16443	0.9
369.16803	1.0
371.18076	0.9
377.17505	5.1
379.15500	2.2
391.15179	1.2
391.19632	0.8
393.16965	2.5
395.18475	5.6
397.16446	0.9
401.17596	1.5
411.18246	0.9
413.19510	1.2
419.18652	12.7
421.16776	0.8
437.19687	8.6
445.16479	1.3
463.17761	3.5
481.18781	1.6
553.23169	0.8
567.24408	5.6
579.24255	1.1
591.24170	2.8
597.25275	1.2
655.28296	0.9
673.28894	6.5
691.29785	0.9
699.26483	1.4
717.27551	4.5
735.28723	0.9
749.23944	0.7
785.44855	0.9
797.44781	0.9
827.45972	18.5
828.45502	1.4
839.45862	12.4
840.46625	1.4
851.45947	8.7
852.46088	1.5
857.46936	11.2
858.47412	1.6
869.46295	0.7
893.47150	2.0
909.49927	1.5
933.50146	17.2
934.50549	2.6
951.48730	4.4
959.48120	6.9
977.49023	100.0
978.49213	15.1
995.50055	80.0
996.50385	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	995.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.9
69.41095	0.9
69.41500	3.3
71.01385	3.7
72.99323	0.6
77.03971	0.5
79.01870	0.5
79.05571	0.5
81.03454	6.8
83.01384	15.9
83.05033	0.7
85.02935	0.7
89.02442	1.7
91.05540	0.6
92.92818	1.6
93.03451	4.5
95.01396	2.8
95.05045	3.4
96.96028	0.9
97.02959	5.8
98.20617	0.7
99.04520	3.6
101.02444	1.8
107.05014	1.3
108.02171	1.2
108.90182	0.6
109.02944	10.3
113.02443	1.6
113.06008	0.7
120.02184	1.1
121.02959	7.9
121.03774	0.9
122.03730	3.5
123.00843	0.9
123.04558	2.9
124.01671	1.6
125.02443	74.8
126.02776	1.1
130.04205	0.7
131.05023	1.0
133.02982	1.6
135.04495	5.4
137.02438	65.8
138.03082	0.7
139.04008	2.3
141.61942	0.5
145.02995	0.6
146.03734	23.6
147.04518	2.7
148.01636	0.9
149.02408	2.5
149.06030	0.6
150.03220	1.2
151.03960	4.8
158.03717	1.6
159.04507	9.7
160.05298	4.7
161.02422	2.3
161.06053	2.0
162.03227	0.9
163.00389	0.9
163.03984	1.1
163.99745	0.8
163.99966	0.4
164.01143	17.2
165.01918	40.6
166.02296	1.1
167.03485	24.4
168.85341	0.5
171.04526	1.0
172.05298	5.6
173.06038	4.4
174.03207	12.2
174.06844	3.7
175.03993	3.2
176.04784	2.4
177.01941	6.8
178.91766	0.5
179.03493	12.9
181.05048	1.2
183.04503	0.8
184.05290	0.8
185.06068	2.6
186.06853	2.9
187.04019	5.8
187.07632	0.8
188.04782	7.9
189.05539	1.9
190.02757	0.6
191.03535	1.3
196.05289	1.1
197.06081	1.4
198.06859	1.6
199.03999	1.1
199.07645	1.6
200.04745	4.4
200.08490	0.6
201.05569	4.4
202.06265	0.9
203.03360	0.6
204.04254	5.7
209.06058	2.2
210.06812	2.4
211.03944	1.5
211.07469	0.9
211.13344	0.9
212.04778	6.3
213.05516	2.0
213.09129	0.7
214.06366	1.1
217.05025	0.7
222.06857	0.9
223.07645	1.7
224.04823	1.5
224.08496	0.6
225.05577	5.7
225.12741	1.0
226.06221	3.1
227.07175	1.4
227.10942	0.7
228.04362	0.6
228.07938	1.2
230.05768	0.7
233.06030	0.7
236.04800	0.7
237.05573	1.8
237.09312	0.7
238.06342	1.3
239.07129	1.8
243.06621	0.7
243.13895	2.1
244.07481	1.4
245.11903	0.7
250.06300	0.7
251.07060	3.2
251.11047	0.5
252.07828	3.3
253.09081	0.8
253.12300	0.7
254.05716	0.5
255.13866	2.4
265.08731	1.1
268.07471	3.0
268.10779	0.6
269.08398	1.0
269.11795	5.4
269.14996	0.9
270.05505	0.5
270.08914	3.6
270.12540	1.5
271.13364	34.0
272.13864	1.6
273.14859	0.8
276.07904	1.0
277.21652	9.7
278.22092	0.8
281.11874	0.8
281.15329	0.7
283.13293	3.6
285.14999	3.9
287.12961	2.5
288.06375	1.7
289.14417	11.8
292.07553	0.6
293.08151	0.7
294.08966	4.4
295.10294	0.7
295.13303	3.6
297.14911	3.2
299.12918	8.2
299.16150	1.0
300.13541	0.9
301.14398	3.9
309.15128	2.5
311.12921	1.6
312.10135	0.7
312.13632	0.7
313.14441	19.3
314.14688	0.7
315.16013	2.5
317.13870	5.0
320.06946	1.5
325.14410	13.3
327.16031	1.0
331.15521	4.3
335.16394	3.5
337.14365	6.4
339.15933	0.8
341.13870	0.9
343.15469	5.6
349.18027	0.9
351.15912	2.2
353.13785	1.0
353.17535	3.3
355.15356	2.9
365.17410	0.7
369.16910	0.8
371.18710	0.7
377.17554	3.7
379.15405	1.6
391.15170	0.9
391.19543	1.0
393.17035	3.1
395.18616	5.4
397.16684	0.8
401.17081	1.4
413.19601	2.3
419.18604	13.9
421.16708	0.9
435.17944	0.6
437.19635	9.0
445.16501	0.7
455.20847	1.2
463.17783	4.2
481.18451	1.6
525.23462	0.7
553.23267	0.9
567.24396	6.0
579.25000	1.2
591.24878	2.4
597.25128	1.3
631.28656	0.5
655.27423	0.6
673.28528	6.6
674.29077	0.5
691.30420	1.1
699.26727	1.5
717.27075	4.1
733.84369	0.5
735.28058	1.2
785.45007	0.9
797.45245	1.3
813.44275	1.7
827.45825	20.5
828.46051	3.1
839.45764	11.3
840.46295	1.3
851.45697	9.9
852.45911	1.1
857.46722	10.8
858.48071	0.9
869.46405	1.5
891.48584	0.6
893.47174	1.6
909.50018	1.5
933.49963	16.8
934.50055	2.2
934.66748	0.6
951.48956	3.6
959.47644	6.4
960.47217	1.1
977.48999	100.0
978.49243	13.9
995.50061	79.8
996.50360	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	995.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	2.8
70.39146	0.7
71.01379	4.5
71.60249	1.0
73.02907	0.8
77.03941	2.0
81.03460	6.1
83.01383	16.5
85.02946	1.7
89.02433	1.9
91.05537	0.9
92.92777	3.1
93.03451	5.2
95.01377	2.3
95.05014	3.3
96.95991	3.5
97.02928	4.3
99.04527	4.2
101.02419	2.6
107.05016	2.3
108.02178	1.5
109.02952	8.7
113.02454	1.2
120.02150	1.2
121.02959	7.6
122.03678	3.2
123.04542	4.0
124.01644	2.2
125.02440	77.4
126.02748	1.2
130.04236	1.0
131.04971	0.8
133.02930	1.9
135.04509	4.1
137.02438	69.2
138.03018	1.3
139.03964	1.8
146.03735	22.9
147.04465	3.4
149.02399	3.1
149.06047	1.1
150.03195	1.9
151.03972	4.3
154.02658	1.0
158.03719	0.8
159.04503	11.6
160.05241	3.2
161.02451	2.5
161.06062	2.7
162.03195	1.4
163.00301	1.1
163.03967	1.4
164.01137	17.3
165.01918	41.0
166.02258	0.8
167.03474	23.5
172.05246	8.0
173.06038	4.4
174.03204	13.2
174.06770	3.4
175.03960	4.3
176.04747	2.3
177.01904	8.3
179.03467	14.4
185.06042	2.6
186.06839	3.2
187.03973	5.7
188.04782	8.4
189.05573	2.3
190.02734	1.5
191.03455	1.9
196.05304	1.2
197.06047	1.4
198.06818	1.6
199.07626	1.3
200.04782	6.9
201.05510	4.7
202.06291	1.5
204.04268	5.6
209.06052	2.4
210.06781	1.9
211.03893	1.5
211.07716	1.3
211.13268	1.5
212.04834	7.3
213.05502	1.9
213.09134	0.9
214.06273	0.9
215.07072	1.1
216.04265	1.0
224.04680	1.6
225.05502	4.9
226.06238	2.8
228.08078	1.0
237.05531	2.3
239.07030	1.8
241.12112	1.3
243.13824	1.6
244.07367	1.7
250.06233	1.0
251.07211	3.8
252.07985	3.8
254.05827	1.3
255.13869	3.5
265.08627	1.4
268.07379	3.0
269.07996	1.5
269.11783	7.1
269.14590	1.3
270.08966	3.0
270.12473	1.2
271.13376	32.4
272.13574	1.3
277.21701	22.0
281.12057	0.9
281.15405	0.9
283.13443	4.1
285.12106	0.9
285.14865	4.4
287.05771	1.1
287.12823	2.4
288.06329	2.2
289.14462	5.9
292.07547	0.9
294.08954	4.9
294.99469	0.9
295.13342	2.4
297.14963	4.2
299.12924	8.8
300.13370	1.3
301.14322	2.2
309.14874	2.4
311.12726	0.9
313.14423	20.6
315.15976	3.0
317.13742	1.8
320.07040	1.6
325.14447	13.4
325.18076	1.0
327.15771	1.0
331.15399	2.5
333.14795	1.1
335.16504	3.0
337.14450	7.9
343.15408	6.2
351.16043	2.5
353.17563	2.2
355.15353	2.2
367.18878	1.2
375.15430	1.0
377.17450	5.2
379.15411	2.7
381.41522	0.8
391.15057	1.2
391.19601	1.0
393.16986	2.2
395.18726	5.2
397.16495	1.3
401.17603	1.3
419.18607	17.4
420.19040	1.6
421.16605	1.4
437.19614	7.6
445.16617	1.9
450.13974	0.9
463.17490	7.9
481.18729	2.3
567.24432	2.9
673.18195	1.1
673.27991	4.1
685.99017	1.1
699.27222	1.2
717.27515	2.7
785.44348	1.3
811.46368	1.5
827.30267	1.1
827.45752	22.6
828.46332	3.4
839.45770	13.7
840.46021	1.9
851.45679	8.8
857.46991	10.5
858.47711	1.4
869.47095	1.4
893.47260	1.9
909.49689	1.8
933.50024	17.1
934.49823	2.3
951.49384	4.0
959.48218	7.0
960.48499	1.2
977.48950	100.0
978.49182	19.6
995.50012	78.9
996.50281	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	3.1
71.01374	4.0
77.03948	3.4
79.01894	1.5
81.01825	1.3
81.03464	2.6
83.01389	13.9
93.03445	8.3
95.01367	2.9
96.95996	7.5
97.02944	7.2
101.02454	2.7
107.05049	2.3
108.02175	5.4
109.02959	22.1
113.02470	1.5
119.03522	1.5
121.02955	23.8
122.03747	6.7
123.04476	3.5
124.01637	6.3
125.02442	52.0
133.02971	2.5
135.04530	7.4
137.02438	100.0
145.06573	1.8
146.03745	2.4
147.04507	8.1
149.02437	25.4
149.06052	4.0
150.03221	41.0
151.03917	4.5
154.02733	2.3
157.06583	2.2
158.03717	2.4
159.04533	10.3
161.02451	16.9
162.03107	2.1
163.00305	1.5
163.04022	3.5
164.01170	13.2
165.01921	67.2
166.02518	1.7
167.03487	3.6
169.06587	1.5
171.04520	2.7
172.05283	7.3
173.06073	13.8
174.03200	4.8
175.03987	30.4
176.04655	2.1
177.01913	6.6
177.05530	8.1
179.03494	5.8
179.06094	1.4
183.04466	4.1
183.13841	4.3
187.04025	1.9
187.07748	1.5
189.05527	5.7
191.07114	2.6
197.06067	4.5
199.04007	4.2
200.04758	4.6
201.05544	26.6
203.03502	9.1
203.07094	1.7
204.04189	1.6
209.11891	1.5
211.13391	53.6
212.13736	2.2
214.06345	2.2
215.07083	6.3
217.05194	7.4
219.06607	10.4
225.05531	4.8
227.03470	3.0
235.08156	3.5
241.05077	4.5
243.02945	4.2
243.06548	11.0
245.04475	5.5
253.09280	4.6
258.05292	3.1
259.06097	33.3
269.04568	8.6
276.90393	1.3
277.21695	69.1
278.22028	2.7
287.05588	89.5
288.06247	19.9
289.07050	11.1
297.15048	2.0
315.15884	2.6
319.95093	1.4
362.39032	1.5
429.21225	3.0
436.50650	1.8
447.22342	5.9
481.19324	1.5
513.30585	5.5
707.43500	9.9
811.46271	1.8
827.45367	2.2
839.45959	2.0
857.47229	4.4
977.49506	10.0
978.49646	1.6
995.50171	55.2
996.49390	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	998.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
79.56676	59.4
80.96500	67.7
180.61136	66.2
187.01555	84.6
278.21973	100.0
311.17059	62.9
349.98752	65.5
368.36975	72.8
396.42996	71.9
458.92178	63.4
END